data_19666
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19666
_Entry.PDB_ID 2MI5
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 19666
_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 ALA N N 2 124.746 124.746 125.409 -0.663 19666
2 1 1 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.570 -0.343 19666
3 1 1 . 1 1 2 2 ALA C C 2 176.106 176.106 176.240 -0.134 19666
4 1 1 . 1 1 2 2 ALA CA C 2 52.504 52.504 51.182 1.322 19666
5 1 1 . 1 1 2 2 ALA CB C 2 19.016 19.016 19.808 -0.792 19666
6 1 1 . 1 1 2 2 ALA H H 2 8.421 8.421 8.140 0.281 19666
7 1 1 . 1 1 3 3 LYS N N 3 120.527 120.527 118.565 1.962 19666
8 1 1 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.521 -0.185 19666
9 1 1 . 1 1 3 3 LYS C C 3 175.343 175.343 174.793 0.550 19666
10 1 1 . 1 1 3 3 LYS CA C 3 54.848 54.848 54.571 0.277 19666
11 1 1 . 1 1 3 3 LYS CB C 3 34.392 34.392 34.408 -0.016 19666
12 1 1 . 1 1 3 3 LYS H H 3 8.275 8.275 7.989 0.286 19666
13 1 1 . 1 1 4 4 ASP N N 4 120.351 120.351 120.281 0.070 19666
14 1 1 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.220 0.157 19666
15 1 1 . 1 1 4 4 ASP C C 4 177.084 177.084 177.744 -0.660 19666
16 1 1 . 1 1 4 4 ASP CA C 4 55.908 55.908 56.404 -0.496 19666
17 1 1 . 1 1 4 4 ASP CB C 4 41.206 41.206 40.900 0.306 19666
18 1 1 . 1 1 4 4 ASP H H 4 8.288 8.288 8.325 -0.037 19666
19 1 1 . 1 1 5 5 GLY N N 5 113.320 113.320 113.929 -0.609 19666
20 1 1 . 1 1 5 5 GLY C C 5 174.205 174.205 174.525 -0.320 19666
21 1 1 . 1 1 5 5 GLY CA C 5 45.496 45.496 44.859 0.637 19666
22 1 1 . 1 1 5 5 GLY H H 5 8.823 8.823 8.772 0.051 19666
23 1 1 . 1 1 6 6 ASP N N 6 121.054 121.054 123.729 -2.675 19666
24 1 1 . 1 1 6 6 ASP HA H 6 4.641 4.641 4.815 -0.174 19666
25 1 1 . 1 1 6 6 ASP C C 6 175.139 175.139 175.558 -0.419 19666
26 1 1 . 1 1 6 6 ASP CA C 6 55.022 55.022 55.746 -0.724 19666
27 1 1 . 1 1 6 6 ASP CB C 6 41.095 41.095 41.240 -0.145 19666
28 1 1 . 1 1 6 6 ASP H H 6 8.291 8.291 7.804 0.487 19666
29 1 1 . 1 1 7 7 VAL N N 7 110.156 110.156 116.331 -6.175 19666
30 1 1 . 1 1 7 7 VAL HA H 7 5.505 5.505 5.246 0.259 19666
31 1 1 . 1 1 7 7 VAL C C 7 175.917 175.917 174.617 1.300 19666
32 1 1 . 1 1 7 7 VAL CA C 7 59.486 59.486 59.165 0.321 19666
33 1 1 . 1 1 7 7 VAL CB C 7 37.503 37.503 36.064 1.439 19666
34 1 1 . 1 1 7 7 VAL H H 7 8.242 8.242 8.136 0.106 19666
35 1 1 . 1 1 8 8 GLU N N 8 119.824 119.824 121.257 -1.433 19666
36 1 1 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.715 -0.007 19666
37 1 1 . 1 1 8 8 GLU C C 8 175.138 175.138 175.301 -0.163 19666
38 1 1 . 1 1 8 8 GLU CA C 8 55.018 55.018 55.263 -0.245 19666
39 1 1 . 1 1 8 8 GLU CB C 8 32.660 32.660 33.031 -0.371 19666
40 1 1 . 1 1 8 8 GLU H H 8 8.428 8.428 8.971 -0.543 19666
41 1 1 . 1 1 9 9 GLY N N 9 112.265 112.265 110.538 1.727 19666
42 1 1 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.325 0.362 19666
43 1 1 . 1 1 9 9 GLY H H 9 8.498 8.498 8.344 0.154 19666
44 1 1 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.513 -0.060 19666
45 1 1 . 1 1 10 10 PRO C C 10 175.902 175.902 176.668 -0.766 19666
46 1 1 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.828 -0.572 19666
47 1 1 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.248 0.064 19666
48 1 1 . 1 1 11 11 ALA N N 11 123.340 123.340 124.858 -1.518 19666
49 1 1 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.127 0.034 19666
50 1 1 . 1 1 11 11 ALA C C 11 179.442 179.442 178.249 1.193 19666
51 1 1 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.229 0.437 19666
52 1 1 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.654 -0.752 19666
53 1 1 . 1 1 11 11 ALA H H 11 8.424 8.424 8.432 -0.008 19666
54 1 1 . 1 1 12 12 GLY N N 12 111.386 111.386 112.087 -0.701 19666
55 1 1 . 1 1 12 12 GLY C C 12 174.908 174.908 174.845 0.063 19666
56 1 1 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.491 0.664 19666
57 1 1 . 1 1 12 12 GLY H H 12 8.795 8.795 8.689 0.106 19666
58 1 1 . 1 1 13 13 CYS N N 13 118.593 118.593 116.517 2.076 19666
59 1 1 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.826 -0.251 19666
60 1 1 . 1 1 13 13 CYS C C 13 173.390 173.390 174.947 -1.557 19666
61 1 1 . 1 1 13 13 CYS CA C 13 55.412 55.412 57.238 -1.826 19666
62 1 1 . 1 1 13 13 CYS CB C 13 40.858 40.858 28.412 12.446 19666
63 1 1 . 1 1 13 13 CYS H H 13 8.051 8.051 8.005 0.046 19666
64 1 1 . 1 1 14 14 LYS N N 14 120.527 120.527 121.551 -1.024 19666
65 1 1 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.404 0.009 19666
66 1 1 . 1 1 14 14 LYS C C 14 174.523 174.523 175.409 -0.886 19666
67 1 1 . 1 1 14 14 LYS CA C 14 56.695 56.695 55.773 0.922 19666
68 1 1 . 1 1 14 14 LYS CB C 14 34.840 34.840 33.373 1.467 19666
69 1 1 . 1 1 14 14 LYS H H 14 8.661 8.661 8.368 0.293 19666
70 1 1 . 1 1 15 15 LYS N N 15 120.000 120.000 119.268 0.732 19666
71 1 1 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.679 -0.634 19666
72 1 1 . 1 1 15 15 LYS C C 15 174.446 174.446 175.347 -0.901 19666
73 1 1 . 1 1 15 15 LYS CA C 15 55.806 55.806 54.550 1.256 19666
74 1 1 . 1 1 15 15 LYS CB C 15 34.975 34.975 36.349 -1.374 19666
75 1 1 . 1 1 15 15 LYS H H 15 7.335 7.335 8.247 -0.912 19666
76 1 1 . 1 1 16 16 TYR N N 16 118.242 118.242 121.898 -3.656 19666
77 1 1 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.201 -0.592 19666
78 1 1 . 1 1 16 16 TYR C C 16 176.146 176.146 175.863 0.283 19666
79 1 1 . 1 1 16 16 TYR CA C 16 59.985 59.985 60.880 -0.895 19666
80 1 1 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.789 0.392 19666
81 1 1 . 1 1 16 16 TYR H H 16 9.183 9.183 8.315 0.868 19666
82 1 1 . 1 1 17 17 ASP N N 17 123.164 123.164 121.408 1.756 19666
83 1 1 . 1 1 17 17 ASP HA H 17 4.089 4.089 3.912 0.177 19666
84 1 1 . 1 1 17 17 ASP C C 17 174.793 174.793 174.181 0.612 19666
85 1 1 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.241 0.141 19666
86 1 1 . 1 1 17 17 ASP CB C 17 39.934 39.934 39.081 0.853 19666
87 1 1 . 1 1 17 17 ASP H H 17 9.185 9.185 7.871 1.314 19666
88 1 1 . 1 1 18 18 VAL N N 18 121.230 121.230 116.537 4.693 19666
89 1 1 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.176 -0.207 19666
90 1 1 . 1 1 18 18 VAL C C 18 175.615 175.615 174.961 0.654 19666
91 1 1 . 1 1 18 18 VAL CA C 18 62.527 62.527 60.814 1.713 19666
92 1 1 . 1 1 18 18 VAL CB C 18 31.705 31.705 36.063 -4.358 19666
93 1 1 . 1 1 18 18 VAL H H 18 7.873 7.873 7.578 0.295 19666
94 1 1 . 1 1 19 19 GLU N N 19 126.328 126.328 123.687 2.641 19666
95 1 1 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.513 0.338 19666
96 1 1 . 1 1 19 19 GLU C C 19 175.883 175.883 176.023 -0.140 19666
97 1 1 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.292 0.135 19666
98 1 1 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.801 -1.258 19666
99 1 1 . 1 1 19 19 GLU H H 19 8.437 8.437 8.517 -0.080 19666
100 1 1 . 1 1 20 20 CYS N N 20 117.715 117.715 119.843 -2.128 19666
101 1 1 . 1 1 20 20 CYS HA H 20 4.920 4.920 5.007 -0.087 19666
102 1 1 . 1 1 20 20 CYS C C 20 172.746 172.746 173.401 -0.655 19666
103 1 1 . 1 1 20 20 CYS CA C 20 53.849 53.849 56.051 -2.202 19666
104 1 1 . 1 1 20 20 CYS CB C 20 45.604 45.604 30.729 14.876 19666
105 1 1 . 1 1 20 20 CYS H H 20 8.357 8.357 8.455 -0.098 19666
106 1 1 . 1 1 21 21 ASP N N 21 119.297 119.297 121.810 -2.513 19666
107 1 1 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.906 -0.126 19666
108 1 1 . 1 1 21 21 ASP C C 21 175.903 175.903 176.890 -0.987 19666
109 1 1 . 1 1 21 21 ASP CA C 21 53.839 53.839 53.716 0.123 19666
110 1 1 . 1 1 21 21 ASP H H 21 8.077 8.077 8.598 -0.521 19666
111 1 1 . 1 1 22 22 SER N N 22 113.751 113.751 119.920 -6.169 19666
112 1 1 . 1 1 22 22 SER HA H 22 4.066 4.066 4.156 -0.090 19666
113 1 1 . 1 1 22 22 SER C C 22 175.610 175.610 174.775 0.835 19666
114 1 1 . 1 1 22 22 SER CA C 22 59.986 59.986 58.977 1.009 19666
115 1 1 . 1 1 22 22 SER CB C 22 63.377 63.377 62.776 0.601 19666
116 1 1 . 1 1 22 22 SER H H 22 8.477 8.477 9.028 -0.551 19666
117 1 1 . 1 1 23 23 GLY N N 23 112.441 112.441 106.926 5.515 19666
118 1 1 . 1 1 23 23 GLY C C 23 175.341 175.341 173.809 1.532 19666
119 1 1 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.792 -0.168 19666
120 1 1 . 1 1 23 23 GLY H H 23 8.666 8.666 8.366 0.300 19666
121 1 1 . 1 1 24 24 GLU N N 24 115.429 115.429 119.375 -3.946 19666
122 1 1 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.587 -0.267 19666
123 1 1 . 1 1 24 24 GLU CA C 24 56.875 56.875 55.777 1.098 19666
124 1 1 . 1 1 24 24 GLU CB C 24 32.969 32.969 31.866 1.103 19666
125 1 1 . 1 1 24 24 GLU H H 24 7.852 7.852 7.779 0.073 19666
126 1 1 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.791 0.089 19666
127 1 1 . 1 1 25 25 CYS C C 25 175.605 175.605 175.142 0.463 19666
128 1 1 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.240 -1.823 19666
129 1 1 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.667 11.340 19666
130 1 1 . 1 1 26 26 CYS N N 26 122.988 122.988 120.961 2.027 19666
131 1 1 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.387 0.182 19666
132 1 1 . 1 1 26 26 CYS C C 26 172.335 172.335 176.637 -4.302 19666
133 1 1 . 1 1 26 26 CYS CA C 26 55.441 55.441 60.026 -4.585 19666
134 1 1 . 1 1 26 26 CYS CB C 26 38.977 38.977 28.775 10.202 19666
135 1 1 . 1 1 26 26 CYS H H 26 9.987 9.987 8.694 1.293 19666
136 1 1 . 1 1 27 27 GLN N N 27 119.472 119.472 120.124 -0.652 19666
137 1 1 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.103 0.053 19666
138 1 1 . 1 1 27 27 GLN C C 27 178.958 178.958 176.959 1.999 19666
139 1 1 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.300 1.097 19666
140 1 1 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.273 -0.139 19666
141 1 1 . 1 1 27 27 GLN H H 27 8.129 8.129 8.310 -0.181 19666
142 1 1 . 1 1 28 28 LYS N N 28 111.211 111.211 114.998 -3.787 19666
143 1 1 . 1 1 28 28 LYS HA H 28 5.398 5.398 4.990 0.408 19666
144 1 1 . 1 1 28 28 LYS C C 28 174.506 174.506 174.637 -0.131 19666
145 1 1 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.577 -0.860 19666
146 1 1 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.522 2.700 19666
147 1 1 . 1 1 28 28 LYS H H 28 7.945 7.945 7.554 0.391 19666
148 1 1 . 1 1 29 29 GLN N N 29 120.527 120.527 119.275 1.252 19666
149 1 1 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.040 0.233 19666
150 1 1 . 1 1 29 29 GLN C C 29 173.392 173.392 173.897 -0.505 19666
151 1 1 . 1 1 29 29 GLN CA C 29 54.499 54.499 55.022 -0.523 19666
152 1 1 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.334 -0.341 19666
153 1 1 . 1 1 29 29 GLN H H 29 9.096 9.096 8.861 0.235 19666
154 1 1 . 1 1 30 30 TYR N N 30 130.371 130.371 126.728 3.643 19666
155 1 1 . 1 1 30 30 TYR HA H 30 3.824 3.824 3.841 -0.017 19666
156 1 1 . 1 1 30 30 TYR C C 30 173.213 173.213 173.360 -0.147 19666
157 1 1 . 1 1 30 30 TYR CA C 30 58.018 58.018 57.296 0.722 19666
158 1 1 . 1 1 30 30 TYR CB C 30 35.574 35.574 37.168 -1.594 19666
159 1 1 . 1 1 30 30 TYR H H 30 8.378 8.378 8.347 0.031 19666
160 1 1 . 1 1 31 31 LEU N N 31 132.129 132.129 124.753 7.376 19666
161 1 1 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.459 -0.604 19666
162 1 1 . 1 1 31 31 LEU C C 31 174.716 174.716 176.584 -1.868 19666
163 1 1 . 1 1 31 31 LEU CA C 31 52.890 52.890 53.951 -1.061 19666
164 1 1 . 1 1 31 31 LEU CB C 31 46.322 46.322 44.436 1.886 19666
165 1 1 . 1 1 31 31 LEU H H 31 8.015 8.015 8.079 -0.064 19666
166 1 1 . 1 1 32 32 TRP N N 32 126.855 126.855 122.659 4.196 19666
167 1 1 . 1 1 32 32 TRP HA H 32 3.674 3.674 4.207 -0.533 19666
168 1 1 . 1 1 32 32 TRP C C 32 176.444 176.444 175.686 0.758 19666
169 1 1 . 1 1 32 32 TRP CA C 32 57.808 57.808 57.897 -0.089 19666
170 1 1 . 1 1 32 32 TRP CB C 32 24.551 24.551 26.998 -2.447 19666
171 1 1 . 1 1 32 32 TRP H H 32 8.835 8.835 8.673 0.162 19666
172 1 1 . 1 1 33 33 TYR N N 33 109.453 109.453 112.549 -3.096 19666
173 1 1 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.161 0.280 19666
174 1 1 . 1 1 33 33 TYR C C 33 173.802 173.802 174.782 -0.980 19666
175 1 1 . 1 1 33 33 TYR CA C 33 59.804 59.804 59.080 0.725 19666
176 1 1 . 1 1 33 33 TYR CB C 33 35.213 35.213 36.717 -1.504 19666
177 1 1 . 1 1 33 33 TYR H H 33 8.021 8.021 8.021 0.000 19666
178 1 1 . 1 1 34 34 LYS N N 34 116.660 116.660 117.813 -1.153 19666
179 1 1 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.610 -0.195 19666
180 1 1 . 1 1 34 34 LYS C C 34 174.545 174.545 174.452 0.093 19666
181 1 1 . 1 1 34 34 LYS CA C 34 55.268 55.268 55.035 0.233 19666
182 1 1 . 1 1 34 34 LYS CB C 34 37.142 37.142 36.497 0.645 19666
183 1 1 . 1 1 34 34 LYS H H 34 6.799 6.799 7.134 -0.335 19666
184 1 1 . 1 1 35 35 TRP N N 35 122.637 122.637 125.094 -2.457 19666
185 1 1 . 1 1 35 35 TRP HA H 35 4.565 4.565 5.022 -0.457 19666
186 1 1 . 1 1 35 35 TRP C C 35 176.720 176.720 176.889 -0.169 19666
187 1 1 . 1 1 35 35 TRP CA C 35 58.264 58.264 57.621 0.643 19666
188 1 1 . 1 1 35 35 TRP CB C 35 29.346 29.346 29.340 0.006 19666
189 1 1 . 1 1 35 35 TRP H H 35 8.786 8.786 8.962 -0.176 19666
190 1 1 . 1 1 36 36 ARG N N 36 125.976 125.976 124.082 1.894 19666
191 1 1 . 1 1 36 36 ARG HA H 36 5.133 5.133 5.069 0.064 19666
192 1 1 . 1 1 36 36 ARG CA C 36 53.125 53.125 52.951 0.174 19666
193 1 1 . 1 1 36 36 ARG CB C 36 31.094 31.094 31.006 0.088 19666
194 1 1 . 1 1 36 36 ARG H H 36 9.128 9.128 8.492 0.636 19666
195 1 1 . 1 1 37 37 PRO HA H 37 5.364 5.364 4.926 0.438 19666
196 1 1 . 1 1 37 37 PRO C C 37 175.961 175.961 176.402 -0.441 19666
197 1 1 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.451 -0.431 19666
198 1 1 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.798 -0.649 19666
199 1 1 . 1 1 38 38 LEU N N 38 116.660 116.660 118.214 -1.554 19666
200 1 1 . 1 1 38 38 LEU HA H 38 5.613 5.613 5.245 0.368 19666
201 1 1 . 1 1 38 38 LEU C C 38 177.828 177.828 175.484 2.344 19666
202 1 1 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.757 -1.269 19666
203 1 1 . 1 1 38 38 LEU CB C 38 45.969 45.969 46.258 -0.289 19666
204 1 1 . 1 1 38 38 LEU H H 38 7.047 7.047 8.462 -1.415 19666
205 1 1 . 1 1 39 39 ASP N N 39 117.187 117.187 120.297 -3.110 19666
206 1 1 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.932 -0.267 19666
207 1 1 . 1 1 39 39 ASP C C 39 173.855 173.855 175.529 -1.674 19666
208 1 1 . 1 1 39 39 ASP CA C 39 53.115 53.115 53.371 -0.256 19666
209 1 1 . 1 1 39 39 ASP CB C 39 44.870 44.870 44.687 0.183 19666
210 1 1 . 1 1 39 39 ASP H H 39 9.136 9.136 8.610 0.526 19666
211 1 1 . 1 1 40 40 CYS N N 40 122.812 122.812 124.983 -2.171 19666
212 1 1 . 1 1 40 40 CYS HA H 40 4.645 4.645 4.570 0.075 19666
213 1 1 . 1 1 40 40 CYS C C 40 173.638 173.638 174.851 -1.213 19666
214 1 1 . 1 1 40 40 CYS CA C 40 56.149 56.149 59.590 -3.441 19666
215 1 1 . 1 1 40 40 CYS CB C 40 38.887 38.887 24.910 13.977 19666
216 1 1 . 1 1 40 40 CYS H H 40 8.704 8.704 8.689 0.015 19666
217 1 1 . 1 1 41 41 ARG N N 41 131.953 131.953 124.703 7.250 19666
218 1 1 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.554 0.132 19666
219 1 1 . 1 1 41 41 ARG C C 41 175.082 175.082 175.440 -0.358 19666
220 1 1 . 1 1 41 41 ARG CA C 41 54.050 54.050 54.642 -0.592 19666
221 1 1 . 1 1 41 41 ARG CB C 41 32.462 32.462 32.484 -0.022 19666
222 1 1 . 1 1 41 41 ARG H H 41 8.742 8.742 8.410 0.332 19666
223 1 1 . 1 1 42 42 CYS N N 42 123.340 123.340 122.480 0.860 19666
224 1 1 . 1 1 42 42 CYS HA H 42 5.216 5.216 5.034 0.182 19666
225 1 1 . 1 1 42 42 CYS C C 42 174.439 174.439 174.482 -0.043 19666
226 1 1 . 1 1 42 42 CYS CA C 42 55.531 55.531 57.818 -2.287 19666
227 1 1 . 1 1 42 42 CYS CB C 42 44.384 44.384 25.973 18.411 19666
228 1 1 . 1 1 42 42 CYS H H 42 8.945 8.945 8.669 0.276 19666
229 1 1 . 1 1 43 43 LEU N N 43 125.976 125.976 125.518 0.458 19666
230 1 1 . 1 1 43 43 LEU HA H 43 4.544 4.544 4.862 -0.318 19666
231 1 1 . 1 1 43 43 LEU C C 43 176.723 176.723 174.773 1.950 19666
232 1 1 . 1 1 43 43 LEU CA C 43 54.458 54.458 53.294 1.164 19666
233 1 1 . 1 1 43 43 LEU CB C 43 43.516 43.516 44.311 -0.795 19666
234 1 1 . 1 1 43 43 LEU H H 43 8.722 8.722 8.137 0.585 19666
235 1 1 . 1 1 44 44 LYS N N 44 122.285 122.285 119.698 2.587 19666
236 1 1 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.697 -0.176 19666
237 1 1 . 1 1 44 44 LYS C C 44 176.254 176.254 175.893 0.361 19666
238 1 1 . 1 1 44 44 LYS CA C 44 56.395 56.395 55.622 0.773 19666
239 1 1 . 1 1 44 44 LYS CB C 44 33.171 33.171 34.119 -0.948 19666
240 1 1 . 1 1 44 44 LYS H H 44 8.577 8.577 8.246 0.331 19666
241 1 1 . 1 1 45 45 SER N N 45 117.715 117.715 118.957 -1.242 19666
242 1 1 . 1 1 45 45 SER HA H 45 4.562 4.562 4.543 0.019 19666
243 1 1 . 1 1 45 45 SER C C 45 174.264 174.264 175.233 -0.969 19666
244 1 1 . 1 1 45 45 SER CA C 45 57.318 57.318 57.957 -0.639 19666
245 1 1 . 1 1 45 45 SER CB C 45 64.221 64.221 62.582 1.639 19666
246 1 1 . 1 1 45 45 SER H H 45 8.254 8.254 8.747 -0.493 19666
247 1 1 . 1 1 46 46 GLY N N 46 111.386 111.386 112.641 -1.255 19666
248 1 1 . 1 1 46 46 GLY C C 46 174.068 174.068 174.348 -0.280 19666
249 1 1 . 1 1 46 46 GLY CA C 46 45.310 45.310 45.626 -0.315 19666
250 1 1 . 1 1 46 46 GLY H H 46 8.405 8.405 8.553 -0.148 19666
251 1 1 . 1 1 47 47 PHE N N 47 120.703 120.703 117.908 2.795 19666
252 1 1 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.548 -0.184 19666
253 1 1 . 1 1 47 47 PHE C C 47 176.313 176.313 175.444 0.869 19666
254 1 1 . 1 1 47 47 PHE CA C 47 58.892 58.892 56.411 2.481 19666
255 1 1 . 1 1 47 47 PHE CB C 47 39.249 39.249 40.151 -0.902 19666
256 1 1 . 1 1 47 47 PHE H H 47 8.362 8.362 7.655 0.707 19666
257 1 1 . 1 1 48 48 PHE N N 48 117.363 117.363 120.855 -3.492 19666
258 1 1 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.466 0.204 19666
259 1 1 . 1 1 48 48 PHE C C 48 175.325 175.325 175.421 -0.096 19666
260 1 1 . 1 1 48 48 PHE CA C 48 57.687 57.687 59.407 -1.720 19666
261 1 1 . 1 1 48 48 PHE CB C 48 39.669 39.669 39.397 0.272 19666
262 1 1 . 1 1 48 48 PHE H H 48 8.316 8.316 7.624 0.692 19666
263 1 1 . 1 1 49 49 SER N N 49 114.726 114.726 116.435 -1.709 19666
264 1 1 . 1 1 49 49 SER HA H 49 4.498 4.498 4.806 -0.308 19666
265 1 1 . 1 1 49 49 SER C C 49 174.190 174.190 173.813 0.377 19666
266 1 1 . 1 1 49 49 SER CA C 49 58.441 58.441 57.284 1.157 19666
267 1 1 . 1 1 49 49 SER CB C 49 64.234 64.234 64.148 0.086 19666
268 1 1 . 1 1 49 49 SER H H 49 7.831 7.831 8.081 -0.250 19666
269 1 1 . 1 1 50 50 SER N N 50 117.363 117.363 122.029 -4.666 19666
270 1 1 . 1 1 50 50 SER HA H 50 4.682 4.682 4.460 0.222 19666
271 1 1 . 1 1 50 50 SER C C 50 173.200 173.200 174.052 -0.852 19666
272 1 1 . 1 1 50 50 SER CA C 50 58.394 58.394 58.832 -0.438 19666
273 1 1 . 1 1 50 50 SER CB C 50 64.843 64.843 63.846 0.997 19666
274 1 1 . 1 1 50 50 SER H H 50 8.396 8.396 8.587 -0.191 19666
275 1 1 . 1 1 51 51 LYS N N 51 122.812 122.812 118.938 3.874 19666
276 1 1 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.634 -0.106 19666
277 1 1 . 1 1 51 51 LYS C C 51 175.239 175.239 174.785 0.454 19666
278 1 1 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.358 0.401 19666
279 1 1 . 1 1 51 51 LYS CB C 51 34.450 34.450 34.658 -0.208 19666
280 1 1 . 1 1 51 51 LYS H H 51 8.453 8.453 8.428 0.025 19666
281 1 1 . 1 1 52 52 CYS N N 52 124.922 124.922 120.635 4.287 19666
282 1 1 . 1 1 52 52 CYS HA H 52 5.525 5.525 5.439 0.086 19666
283 1 1 . 1 1 52 52 CYS C C 52 174.345 174.345 174.113 0.232 19666
284 1 1 . 1 1 52 52 CYS CA C 52 55.786 55.786 57.712 -1.926 19666
285 1 1 . 1 1 52 52 CYS CB C 52 47.500 47.500 26.448 21.052 19666
286 1 1 . 1 1 52 52 CYS H H 52 8.828 8.828 8.496 0.332 19666
287 1 1 . 1 1 53 53 VAL N N 53 117.187 117.187 118.889 -1.702 19666
288 1 1 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.767 0.244 19666
289 1 1 . 1 1 53 53 VAL C C 53 176.396 176.396 174.496 1.900 19666
290 1 1 . 1 1 53 53 VAL CA C 53 59.190 59.190 58.321 0.869 19666
291 1 1 . 1 1 53 53 VAL CB C 53 37.293 37.293 34.247 3.046 19666
292 1 1 . 1 1 53 53 VAL H H 53 8.625 8.625 8.560 0.065 19666
293 1 1 . 1 1 54 54 CYS N N 54 120.703 120.703 121.047 -0.344 19666
294 1 1 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.407 0.605 19666
295 1 1 . 1 1 54 54 CYS C C 54 175.637 175.637 174.498 1.139 19666
296 1 1 . 1 1 54 54 CYS CA C 54 55.432 55.432 60.325 -4.893 19666
297 1 1 . 1 1 54 54 CYS CB C 54 40.268 40.268 26.215 14.053 19666
298 1 1 . 1 1 54 54 CYS H H 54 8.072 8.072 8.306 -0.234 19666
299 1 1 . 1 1 55 55 ARG N N 55 124.922 124.922 122.191 2.731 19666
300 1 1 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.736 0.117 19666
301 1 1 . 1 1 55 55 ARG C C 55 174.029 174.029 174.164 -0.135 19666
302 1 1 . 1 1 55 55 ARG CA C 55 53.194 53.194 54.330 -1.135 19666
303 1 1 . 1 1 55 55 ARG CB C 55 35.049 35.049 34.602 0.447 19666
304 1 1 . 1 1 55 55 ARG H H 55 9.378 9.378 8.616 0.762 19666
305 1 1 . 1 1 56 56 ASP N N 56 117.011 117.011 121.982 -4.971 19666
306 1 1 . 1 1 56 56 ASP HA H 56 5.244 5.244 5.005 0.239 19666
307 1 1 . 1 1 56 56 ASP C C 56 175.192 175.192 175.397 -0.205 19666
308 1 1 . 1 1 56 56 ASP CA C 56 53.525 53.525 54.090 -0.565 19666
309 1 1 . 1 1 56 56 ASP CB C 56 39.655 39.655 40.539 -0.884 19666
310 1 1 . 1 1 56 56 ASP H H 56 9.693 9.693 8.624 1.069 19666
311 1 2 . 1 1 2 2 ALA N N 2 124.746 124.746 126.413 -1.667 19666
312 1 2 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.612 -0.385 19666
313 1 2 . 1 1 2 2 ALA C C 2 176.106 176.106 175.942 0.164 19666
314 1 2 . 1 1 2 2 ALA CA C 2 52.504 52.504 51.064 1.440 19666
315 1 2 . 1 1 2 2 ALA CB C 2 19.016 19.016 20.136 -1.120 19666
316 1 2 . 1 1 2 2 ALA H H 2 8.421 8.421 8.169 0.252 19666
317 1 2 . 1 1 3 3 LYS N N 3 120.527 120.527 119.685 0.842 19666
318 1 2 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.644 -0.308 19666
319 1 2 . 1 1 3 3 LYS C C 3 175.343 175.343 175.162 0.181 19666
320 1 2 . 1 1 3 3 LYS CA C 3 54.848 54.848 54.624 0.224 19666
321 1 2 . 1 1 3 3 LYS CB C 3 34.392 34.392 34.747 -0.355 19666
322 1 2 . 1 1 3 3 LYS H H 3 8.275 8.275 8.351 -0.076 19666
323 1 2 . 1 1 4 4 ASP N N 4 120.351 120.351 120.865 -0.514 19666
324 1 2 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.357 0.020 19666
325 1 2 . 1 1 4 4 ASP C C 4 177.084 177.084 177.655 -0.571 19666
326 1 2 . 1 1 4 4 ASP CA C 4 55.908 55.908 55.681 0.227 19666
327 1 2 . 1 1 4 4 ASP CB C 4 41.206 41.206 40.528 0.678 19666
328 1 2 . 1 1 4 4 ASP H H 4 8.288 8.288 8.413 -0.125 19666
329 1 2 . 1 1 5 5 GLY N N 5 113.320 113.320 115.080 -1.760 19666
330 1 2 . 1 1 5 5 GLY C C 5 174.205 174.205 173.774 0.431 19666
331 1 2 . 1 1 5 5 GLY CA C 5 45.496 45.496 44.795 0.701 19666
332 1 2 . 1 1 5 5 GLY H H 5 8.823 8.823 8.730 0.093 19666
333 1 2 . 1 1 6 6 ASP N N 6 121.054 121.054 122.035 -0.981 19666
334 1 2 . 1 1 6 6 ASP HA H 6 4.641 4.641 5.203 -0.562 19666
335 1 2 . 1 1 6 6 ASP C C 6 175.139 175.139 175.155 -0.016 19666
336 1 2 . 1 1 6 6 ASP CA C 6 55.022 55.022 53.360 1.662 19666
337 1 2 . 1 1 6 6 ASP CB C 6 41.095 41.095 42.738 -1.643 19666
338 1 2 . 1 1 6 6 ASP H H 6 8.291 8.291 7.721 0.570 19666
339 1 2 . 1 1 7 7 VAL N N 7 110.156 110.156 117.692 -7.536 19666
340 1 2 . 1 1 7 7 VAL HA H 7 5.505 5.505 5.298 0.207 19666
341 1 2 . 1 1 7 7 VAL C C 7 175.917 175.917 174.609 1.308 19666
342 1 2 . 1 1 7 7 VAL CA C 7 59.486 59.486 58.893 0.593 19666
343 1 2 . 1 1 7 7 VAL CB C 7 37.503 37.503 35.470 2.033 19666
344 1 2 . 1 1 7 7 VAL H H 7 8.242 8.242 8.466 -0.224 19666
345 1 2 . 1 1 8 8 GLU N N 8 119.824 119.824 121.443 -1.619 19666
346 1 2 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.630 0.078 19666
347 1 2 . 1 1 8 8 GLU C C 8 175.138 175.138 175.361 -0.223 19666
348 1 2 . 1 1 8 8 GLU CA C 8 55.018 55.018 54.695 0.323 19666
349 1 2 . 1 1 8 8 GLU CB C 8 32.660 32.660 33.185 -0.525 19666
350 1 2 . 1 1 8 8 GLU H H 8 8.428 8.428 8.966 -0.538 19666
351 1 2 . 1 1 9 9 GLY N N 9 112.265 112.265 111.275 0.990 19666
352 1 2 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.427 0.260 19666
353 1 2 . 1 1 9 9 GLY H H 9 8.498 8.498 8.278 0.220 19666
354 1 2 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.508 -0.055 19666
355 1 2 . 1 1 10 10 PRO C C 10 175.902 175.902 176.834 -0.932 19666
356 1 2 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.803 -0.547 19666
357 1 2 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.195 0.117 19666
358 1 2 . 1 1 11 11 ALA N N 11 123.340 123.340 125.073 -1.733 19666
359 1 2 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.118 0.043 19666
360 1 2 . 1 1 11 11 ALA C C 11 179.442 179.442 178.212 1.230 19666
361 1 2 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.227 0.439 19666
362 1 2 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.638 -0.736 19666
363 1 2 . 1 1 11 11 ALA H H 11 8.424 8.424 8.433 -0.009 19666
364 1 2 . 1 1 12 12 GLY N N 12 111.386 111.386 111.488 -0.102 19666
365 1 2 . 1 1 12 12 GLY C C 12 174.908 174.908 174.593 0.315 19666
366 1 2 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.566 0.589 19666
367 1 2 . 1 1 12 12 GLY H H 12 8.795 8.795 8.447 0.348 19666
368 1 2 . 1 1 13 13 CYS N N 13 118.593 118.593 117.752 0.841 19666
369 1 2 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.564 0.011 19666
370 1 2 . 1 1 13 13 CYS C C 13 173.390 173.390 174.654 -1.264 19666
371 1 2 . 1 1 13 13 CYS CA C 13 55.412 55.412 57.833 -2.421 19666
372 1 2 . 1 1 13 13 CYS CB C 13 40.858 40.858 28.594 12.264 19666
373 1 2 . 1 1 13 13 CYS H H 13 8.051 8.051 7.719 0.332 19666
374 1 2 . 1 1 14 14 LYS N N 14 120.527 120.527 120.796 -0.269 19666
375 1 2 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.495 -0.082 19666
376 1 2 . 1 1 14 14 LYS C C 14 174.523 174.523 175.845 -1.322 19666
377 1 2 . 1 1 14 14 LYS CA C 14 56.695 56.695 55.860 0.835 19666
378 1 2 . 1 1 14 14 LYS CB C 14 34.840 34.840 33.611 1.229 19666
379 1 2 . 1 1 14 14 LYS H H 14 8.661 8.661 8.376 0.285 19666
380 1 2 . 1 1 15 15 LYS N N 15 120.000 120.000 118.513 1.487 19666
381 1 2 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.608 -0.563 19666
382 1 2 . 1 1 15 15 LYS C C 15 174.446 174.446 174.921 -0.475 19666
383 1 2 . 1 1 15 15 LYS CA C 15 55.806 55.806 54.448 1.358 19666
384 1 2 . 1 1 15 15 LYS CB C 15 34.975 34.975 36.048 -1.073 19666
385 1 2 . 1 1 15 15 LYS H H 15 7.335 7.335 8.228 -0.893 19666
386 1 2 . 1 1 16 16 TYR N N 16 118.242 118.242 122.010 -3.768 19666
387 1 2 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.167 -0.558 19666
388 1 2 . 1 1 16 16 TYR C C 16 176.146 176.146 176.113 0.033 19666
389 1 2 . 1 1 16 16 TYR CA C 16 59.985 59.985 60.875 -0.890 19666
390 1 2 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.730 0.452 19666
391 1 2 . 1 1 16 16 TYR H H 16 9.183 9.183 8.178 1.005 19666
392 1 2 . 1 1 17 17 ASP N N 17 123.164 123.164 121.955 1.209 19666
393 1 2 . 1 1 17 17 ASP HA H 17 4.089 4.089 3.924 0.165 19666
394 1 2 . 1 1 17 17 ASP C C 17 174.793 174.793 174.410 0.383 19666
395 1 2 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.252 0.130 19666
396 1 2 . 1 1 17 17 ASP CB C 17 39.934 39.934 38.962 0.973 19666
397 1 2 . 1 1 17 17 ASP H H 17 9.185 9.185 8.215 0.970 19666
398 1 2 . 1 1 18 18 VAL N N 18 121.230 121.230 116.001 5.229 19666
399 1 2 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.191 -0.222 19666
400 1 2 . 1 1 18 18 VAL C C 18 175.615 175.615 175.027 0.588 19666
401 1 2 . 1 1 18 18 VAL CA C 18 62.527 62.527 60.086 2.441 19666
402 1 2 . 1 1 18 18 VAL CB C 18 31.705 31.705 36.763 -5.058 19666
403 1 2 . 1 1 18 18 VAL H H 18 7.873 7.873 7.532 0.341 19666
404 1 2 . 1 1 19 19 GLU N N 19 126.328 126.328 124.112 2.216 19666
405 1 2 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.425 0.426 19666
406 1 2 . 1 1 19 19 GLU C C 19 175.883 175.883 176.106 -0.223 19666
407 1 2 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.542 -0.115 19666
408 1 2 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.738 -1.195 19666
409 1 2 . 1 1 19 19 GLU H H 19 8.437 8.437 8.506 -0.069 19666
410 1 2 . 1 1 20 20 CYS N N 20 117.715 117.715 120.395 -2.680 19666
411 1 2 . 1 1 20 20 CYS HA H 20 4.920 4.920 5.058 -0.138 19666
412 1 2 . 1 1 20 20 CYS C C 20 172.746 172.746 173.711 -0.965 19666
413 1 2 . 1 1 20 20 CYS CA C 20 53.849 53.849 55.773 -1.924 19666
414 1 2 . 1 1 20 20 CYS CB C 20 45.604 45.604 30.753 14.851 19666
415 1 2 . 1 1 20 20 CYS H H 20 8.357 8.357 8.556 -0.199 19666
416 1 2 . 1 1 21 21 ASP N N 21 119.297 119.297 121.437 -2.140 19666
417 1 2 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.912 -0.132 19666
418 1 2 . 1 1 21 21 ASP C C 21 175.903 175.903 177.042 -1.139 19666
419 1 2 . 1 1 21 21 ASP CA C 21 53.839 53.839 53.697 0.142 19666
420 1 2 . 1 1 21 21 ASP H H 21 8.077 8.077 8.641 -0.564 19666
421 1 2 . 1 1 22 22 SER N N 22 113.751 113.751 119.702 -5.951 19666
422 1 2 . 1 1 22 22 SER HA H 22 4.066 4.066 4.152 -0.086 19666
423 1 2 . 1 1 22 22 SER C C 22 175.610 175.610 174.724 0.886 19666
424 1 2 . 1 1 22 22 SER CA C 22 59.986 59.986 58.772 1.214 19666
425 1 2 . 1 1 22 22 SER CB C 22 63.377 63.377 62.938 0.439 19666
426 1 2 . 1 1 22 22 SER H H 22 8.477 8.477 8.970 -0.493 19666
427 1 2 . 1 1 23 23 GLY N N 23 112.441 112.441 106.019 6.422 19666
428 1 2 . 1 1 23 23 GLY C C 23 175.341 175.341 174.462 0.879 19666
429 1 2 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.945 -0.320 19666
430 1 2 . 1 1 23 23 GLY H H 23 8.666 8.666 8.395 0.271 19666
431 1 2 . 1 1 24 24 GLU N N 24 115.429 115.429 119.504 -4.075 19666
432 1 2 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.543 -0.223 19666
433 1 2 . 1 1 24 24 GLU CA C 24 56.875 56.875 56.121 0.754 19666
434 1 2 . 1 1 24 24 GLU CB C 24 32.969 32.969 31.334 1.635 19666
435 1 2 . 1 1 24 24 GLU H H 24 7.852 7.852 7.829 0.023 19666
436 1 2 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.732 0.148 19666
437 1 2 . 1 1 25 25 CYS C C 25 175.605 175.605 175.332 0.273 19666
438 1 2 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.622 -2.205 19666
439 1 2 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.658 11.349 19666
440 1 2 . 1 1 26 26 CYS N N 26 122.988 122.988 121.924 1.064 19666
441 1 2 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.398 0.171 19666
442 1 2 . 1 1 26 26 CYS C C 26 172.335 172.335 176.414 -4.079 19666
443 1 2 . 1 1 26 26 CYS CA C 26 55.441 55.441 59.854 -4.413 19666
444 1 2 . 1 1 26 26 CYS CB C 26 38.977 38.977 28.770 10.207 19666
445 1 2 . 1 1 26 26 CYS H H 26 9.987 9.987 8.781 1.206 19666
446 1 2 . 1 1 27 27 GLN N N 27 119.472 119.472 120.012 -0.540 19666
447 1 2 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.096 0.060 19666
448 1 2 . 1 1 27 27 GLN C C 27 178.958 178.958 176.898 2.060 19666
449 1 2 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.228 1.169 19666
450 1 2 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.289 -0.155 19666
451 1 2 . 1 1 27 27 GLN H H 27 8.129 8.129 8.317 -0.188 19666
452 1 2 . 1 1 28 28 LYS N N 28 111.211 111.211 114.616 -3.405 19666
453 1 2 . 1 1 28 28 LYS HA H 28 5.398 5.398 4.855 0.543 19666
454 1 2 . 1 1 28 28 LYS C C 28 174.506 174.506 174.610 -0.104 19666
455 1 2 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.626 -0.909 19666
456 1 2 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.281 2.941 19666
457 1 2 . 1 1 28 28 LYS H H 28 7.945 7.945 7.474 0.471 19666
458 1 2 . 1 1 29 29 GLN N N 29 120.527 120.527 118.857 1.670 19666
459 1 2 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.293 -0.020 19666
460 1 2 . 1 1 29 29 GLN C C 29 173.392 173.392 173.697 -0.305 19666
461 1 2 . 1 1 29 29 GLN CA C 29 54.499 54.499 54.953 -0.454 19666
462 1 2 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.682 -0.689 19666
463 1 2 . 1 1 29 29 GLN H H 29 9.096 9.096 9.188 -0.092 19666
464 1 2 . 1 1 30 30 TYR N N 30 130.371 130.371 125.629 4.742 19666
465 1 2 . 1 1 30 30 TYR HA H 30 3.824 3.824 4.287 -0.463 19666
466 1 2 . 1 1 30 30 TYR C C 30 173.213 173.213 173.380 -0.167 19666
467 1 2 . 1 1 30 30 TYR CA C 30 58.018 58.018 57.049 0.969 19666
468 1 2 . 1 1 30 30 TYR CB C 30 35.574 35.574 37.883 -2.309 19666
469 1 2 . 1 1 30 30 TYR H H 30 8.378 8.378 8.571 -0.193 19666
470 1 2 . 1 1 31 31 LEU N N 31 132.129 132.129 125.351 6.778 19666
471 1 2 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.438 -0.583 19666
472 1 2 . 1 1 31 31 LEU C C 31 174.716 174.716 176.075 -1.359 19666
473 1 2 . 1 1 31 31 LEU CA C 31 52.890 52.890 53.786 -0.896 19666
474 1 2 . 1 1 31 31 LEU CB C 31 46.322 46.322 45.431 0.890 19666
475 1 2 . 1 1 31 31 LEU H H 31 8.015 8.015 8.498 -0.483 19666
476 1 2 . 1 1 32 32 TRP N N 32 126.855 126.855 120.823 6.032 19666
477 1 2 . 1 1 32 32 TRP HA H 32 3.674 3.674 3.851 -0.177 19666
478 1 2 . 1 1 32 32 TRP C C 32 176.444 176.444 175.533 0.911 19666
479 1 2 . 1 1 32 32 TRP CA C 32 57.808 57.808 57.538 0.270 19666
480 1 2 . 1 1 32 32 TRP CB C 32 24.551 24.551 27.111 -2.561 19666
481 1 2 . 1 1 32 32 TRP H H 32 8.835 8.835 8.446 0.389 19666
482 1 2 . 1 1 33 33 TYR N N 33 109.453 109.453 111.879 -2.426 19666
483 1 2 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.549 -0.108 19666
484 1 2 . 1 1 33 33 TYR C C 33 173.802 173.802 174.999 -1.197 19666
485 1 2 . 1 1 33 33 TYR CA C 33 59.804 59.804 58.333 1.471 19666
486 1 2 . 1 1 33 33 TYR CB C 33 35.213 35.213 36.213 -1.000 19666
487 1 2 . 1 1 33 33 TYR H H 33 8.021 8.021 7.706 0.315 19666
488 1 2 . 1 1 34 34 LYS N N 34 116.660 116.660 117.647 -0.987 19666
489 1 2 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.623 -0.208 19666
490 1 2 . 1 1 34 34 LYS C C 34 174.545 174.545 174.153 0.392 19666
491 1 2 . 1 1 34 34 LYS CA C 34 55.268 55.268 54.615 0.653 19666
492 1 2 . 1 1 34 34 LYS CB C 34 37.142 37.142 35.910 1.232 19666
493 1 2 . 1 1 34 34 LYS H H 34 6.799 6.799 6.981 -0.182 19666
494 1 2 . 1 1 35 35 TRP N N 35 122.637 122.637 123.541 -0.904 19666
495 1 2 . 1 1 35 35 TRP HA H 35 4.565 4.565 5.229 -0.664 19666
496 1 2 . 1 1 35 35 TRP C C 35 176.720 176.720 176.708 0.012 19666
497 1 2 . 1 1 35 35 TRP CA C 35 58.264 58.264 57.388 0.876 19666
498 1 2 . 1 1 35 35 TRP CB C 35 29.346 29.346 29.592 -0.246 19666
499 1 2 . 1 1 35 35 TRP H H 35 8.786 8.786 8.903 -0.117 19666
500 1 2 . 1 1 36 36 ARG N N 36 125.976 125.976 124.476 1.500 19666
501 1 2 . 1 1 36 36 ARG HA H 36 5.133 5.133 4.998 0.135 19666
502 1 2 . 1 1 36 36 ARG CA C 36 53.125 53.125 53.106 0.019 19666
503 1 2 . 1 1 36 36 ARG CB C 36 31.094 31.094 31.474 -0.380 19666
504 1 2 . 1 1 36 36 ARG H H 36 9.128 9.128 9.001 0.127 19666
505 1 2 . 1 1 37 37 PRO HA H 37 5.364 5.364 4.562 0.802 19666
506 1 2 . 1 1 37 37 PRO C C 37 175.961 175.961 176.145 -0.184 19666
507 1 2 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.503 -0.483 19666
508 1 2 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.628 -0.479 19666
509 1 2 . 1 1 38 38 LEU N N 38 116.660 116.660 118.334 -1.674 19666
510 1 2 . 1 1 38 38 LEU HA H 38 5.613 5.613 5.239 0.374 19666
511 1 2 . 1 1 38 38 LEU C C 38 177.828 177.828 176.121 1.707 19666
512 1 2 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.614 -1.127 19666
513 1 2 . 1 1 38 38 LEU CB C 38 45.969 45.969 46.062 -0.093 19666
514 1 2 . 1 1 38 38 LEU H H 38 7.047 7.047 8.432 -1.385 19666
515 1 2 . 1 1 39 39 ASP N N 39 117.187 117.187 121.266 -4.079 19666
516 1 2 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.811 -0.146 19666
517 1 2 . 1 1 39 39 ASP C C 39 173.855 173.855 175.074 -1.219 19666
518 1 2 . 1 1 39 39 ASP CA C 39 53.115 53.115 53.504 -0.389 19666
519 1 2 . 1 1 39 39 ASP CB C 39 44.870 44.870 44.989 -0.119 19666
520 1 2 . 1 1 39 39 ASP H H 39 9.136 9.136 8.861 0.275 19666
521 1 2 . 1 1 40 40 CYS N N 40 122.812 122.812 124.084 -1.272 19666
522 1 2 . 1 1 40 40 CYS HA H 40 4.645 4.645 4.723 -0.078 19666
523 1 2 . 1 1 40 40 CYS C C 40 173.638 173.638 174.887 -1.249 19666
524 1 2 . 1 1 40 40 CYS CA C 40 56.149 56.149 59.286 -3.137 19666
525 1 2 . 1 1 40 40 CYS CB C 40 38.887 38.887 24.942 13.945 19666
526 1 2 . 1 1 40 40 CYS H H 40 8.704 8.704 9.041 -0.337 19666
527 1 2 . 1 1 41 41 ARG N N 41 131.953 131.953 125.452 6.501 19666
528 1 2 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.689 -0.003 19666
529 1 2 . 1 1 41 41 ARG C C 41 175.082 175.082 175.138 -0.056 19666
530 1 2 . 1 1 41 41 ARG CA C 41 54.050 54.050 53.970 0.080 19666
531 1 2 . 1 1 41 41 ARG CB C 41 32.462 32.462 33.640 -1.178 19666
532 1 2 . 1 1 41 41 ARG H H 41 8.742 8.742 8.941 -0.199 19666
533 1 2 . 1 1 42 42 CYS N N 42 123.340 123.340 121.446 1.894 19666
534 1 2 . 1 1 42 42 CYS HA H 42 5.216 5.216 5.097 0.119 19666
535 1 2 . 1 1 42 42 CYS C C 42 174.439 174.439 174.766 -0.327 19666
536 1 2 . 1 1 42 42 CYS CA C 42 55.531 55.531 58.362 -2.831 19666
537 1 2 . 1 1 42 42 CYS CB C 42 44.384 44.384 25.983 18.401 19666
538 1 2 . 1 1 42 42 CYS H H 42 8.945 8.945 8.701 0.244 19666
539 1 2 . 1 1 43 43 LEU N N 43 125.976 125.976 124.622 1.354 19666
540 1 2 . 1 1 43 43 LEU HA H 43 4.544 4.544 4.977 -0.433 19666
541 1 2 . 1 1 43 43 LEU C C 43 176.723 176.723 174.344 2.379 19666
542 1 2 . 1 1 43 43 LEU CA C 43 54.458 54.458 54.127 0.331 19666
543 1 2 . 1 1 43 43 LEU CB C 43 43.516 43.516 45.021 -1.505 19666
544 1 2 . 1 1 43 43 LEU H H 43 8.722 8.722 8.198 0.524 19666
545 1 2 . 1 1 44 44 LYS N N 44 122.285 122.285 118.683 3.602 19666
546 1 2 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.627 -0.106 19666
547 1 2 . 1 1 44 44 LYS C C 44 176.254 176.254 175.160 1.094 19666
548 1 2 . 1 1 44 44 LYS CA C 44 56.395 56.395 55.977 0.418 19666
549 1 2 . 1 1 44 44 LYS CB C 44 33.171 33.171 34.247 -1.076 19666
550 1 2 . 1 1 44 44 LYS H H 44 8.577 8.577 8.326 0.251 19666
551 1 2 . 1 1 45 45 SER N N 45 117.715 117.715 119.537 -1.822 19666
552 1 2 . 1 1 45 45 SER HA H 45 4.562 4.562 4.634 -0.072 19666
553 1 2 . 1 1 45 45 SER C C 45 174.264 174.264 174.533 -0.269 19666
554 1 2 . 1 1 45 45 SER CA C 45 57.318 57.318 58.090 -0.772 19666
555 1 2 . 1 1 45 45 SER CB C 45 64.221 64.221 62.858 1.363 19666
556 1 2 . 1 1 45 45 SER H H 45 8.254 8.254 8.809 -0.555 19666
557 1 2 . 1 1 46 46 GLY N N 46 111.386 111.386 110.348 1.038 19666
558 1 2 . 1 1 46 46 GLY C C 46 174.068 174.068 174.277 -0.209 19666
559 1 2 . 1 1 46 46 GLY CA C 46 45.310 45.310 45.798 -0.488 19666
560 1 2 . 1 1 46 46 GLY H H 46 8.405 8.405 8.636 -0.231 19666
561 1 2 . 1 1 47 47 PHE N N 47 120.703 120.703 118.183 2.520 19666
562 1 2 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.839 -0.475 19666
563 1 2 . 1 1 47 47 PHE C C 47 176.313 176.313 175.665 0.648 19666
564 1 2 . 1 1 47 47 PHE CA C 47 58.892 58.892 56.446 2.446 19666
565 1 2 . 1 1 47 47 PHE CB C 47 39.249 39.249 40.343 -1.094 19666
566 1 2 . 1 1 47 47 PHE H H 47 8.362 8.362 7.726 0.636 19666
567 1 2 . 1 1 48 48 PHE N N 48 117.363 117.363 119.165 -1.802 19666
568 1 2 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.582 0.088 19666
569 1 2 . 1 1 48 48 PHE C C 48 175.325 175.325 176.511 -1.186 19666
570 1 2 . 1 1 48 48 PHE CA C 48 57.687 57.687 59.338 -1.651 19666
571 1 2 . 1 1 48 48 PHE CB C 48 39.669 39.669 39.934 -0.265 19666
572 1 2 . 1 1 48 48 PHE H H 48 8.316 8.316 8.516 -0.200 19666
573 1 2 . 1 1 49 49 SER N N 49 114.726 114.726 116.015 -1.289 19666
574 1 2 . 1 1 49 49 SER HA H 49 4.498 4.498 4.717 -0.219 19666
575 1 2 . 1 1 49 49 SER C C 49 174.190 174.190 173.892 0.298 19666
576 1 2 . 1 1 49 49 SER CA C 49 58.441 58.441 57.169 1.272 19666
577 1 2 . 1 1 49 49 SER CB C 49 64.234 64.234 63.242 0.992 19666
578 1 2 . 1 1 49 49 SER H H 49 7.831 7.831 8.104 -0.273 19666
579 1 2 . 1 1 50 50 SER N N 50 117.363 117.363 121.609 -4.246 19666
580 1 2 . 1 1 50 50 SER HA H 50 4.682 4.682 4.391 0.291 19666
581 1 2 . 1 1 50 50 SER C C 50 173.200 173.200 174.337 -1.137 19666
582 1 2 . 1 1 50 50 SER CA C 50 58.394 58.394 58.504 -0.110 19666
583 1 2 . 1 1 50 50 SER CB C 50 64.843 64.843 64.058 0.785 19666
584 1 2 . 1 1 50 50 SER H H 50 8.396 8.396 8.563 -0.167 19666
585 1 2 . 1 1 51 51 LYS N N 51 122.812 122.812 125.348 -2.536 19666
586 1 2 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.568 -0.040 19666
587 1 2 . 1 1 51 51 LYS C C 51 175.239 175.239 175.124 0.115 19666
588 1 2 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.552 0.207 19666
589 1 2 . 1 1 51 51 LYS CB C 51 34.450 34.450 34.521 -0.071 19666
590 1 2 . 1 1 51 51 LYS H H 51 8.453 8.453 8.252 0.201 19666
591 1 2 . 1 1 52 52 CYS N N 52 124.922 124.922 122.373 2.549 19666
592 1 2 . 1 1 52 52 CYS HA H 52 5.525 5.525 5.382 0.143 19666
593 1 2 . 1 1 52 52 CYS C C 52 174.345 174.345 174.353 -0.008 19666
594 1 2 . 1 1 52 52 CYS CA C 52 55.786 55.786 57.779 -1.993 19666
595 1 2 . 1 1 52 52 CYS CB C 52 47.500 47.500 26.524 20.976 19666
596 1 2 . 1 1 52 52 CYS H H 52 8.828 8.828 8.808 0.020 19666
597 1 2 . 1 1 53 53 VAL N N 53 117.187 117.187 118.813 -1.626 19666
598 1 2 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.772 0.239 19666
599 1 2 . 1 1 53 53 VAL C C 53 176.396 176.396 174.370 2.026 19666
600 1 2 . 1 1 53 53 VAL CA C 53 59.190 59.190 58.318 0.872 19666
601 1 2 . 1 1 53 53 VAL CB C 53 37.293 37.293 34.133 3.160 19666
602 1 2 . 1 1 53 53 VAL H H 53 8.625 8.625 8.668 -0.043 19666
603 1 2 . 1 1 54 54 CYS N N 54 120.703 120.703 120.575 0.128 19666
604 1 2 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.561 0.451 19666
605 1 2 . 1 1 54 54 CYS C C 54 175.637 175.637 174.549 1.088 19666
606 1 2 . 1 1 54 54 CYS CA C 54 55.432 55.432 60.148 -4.716 19666
607 1 2 . 1 1 54 54 CYS CB C 54 40.268 40.268 25.609 14.659 19666
608 1 2 . 1 1 54 54 CYS H H 54 8.072 8.072 8.422 -0.350 19666
609 1 2 . 1 1 55 55 ARG N N 55 124.922 124.922 123.578 1.344 19666
610 1 2 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.898 -0.045 19666
611 1 2 . 1 1 55 55 ARG C C 55 174.029 174.029 174.384 -0.355 19666
612 1 2 . 1 1 55 55 ARG CA C 55 53.194 53.194 54.101 -0.907 19666
613 1 2 . 1 1 55 55 ARG CB C 55 35.049 35.049 34.450 0.598 19666
614 1 2 . 1 1 55 55 ARG H H 55 9.378 9.378 8.873 0.505 19666
615 1 2 . 1 1 56 56 ASP N N 56 117.011 117.011 120.846 -3.835 19666
616 1 2 . 1 1 56 56 ASP HA H 56 5.244 5.244 5.033 0.211 19666
617 1 2 . 1 1 56 56 ASP C C 56 175.192 175.192 175.317 -0.125 19666
618 1 2 . 1 1 56 56 ASP CA C 56 53.525 53.525 53.727 -0.202 19666
619 1 2 . 1 1 56 56 ASP CB C 56 39.655 39.655 41.280 -1.625 19666
620 1 2 . 1 1 56 56 ASP H H 56 9.693 9.693 8.536 1.157 19666
621 1 3 . 1 1 2 2 ALA N N 2 124.746 124.746 128.943 -4.197 19666
622 1 3 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.259 -0.032 19666
623 1 3 . 1 1 2 2 ALA C C 2 176.106 176.106 176.924 -0.818 19666
624 1 3 . 1 1 2 2 ALA CA C 2 52.504 52.504 51.933 0.571 19666
625 1 3 . 1 1 2 2 ALA CB C 2 19.016 19.016 19.009 0.008 19666
626 1 3 . 1 1 2 2 ALA H H 2 8.421 8.421 8.061 0.360 19666
627 1 3 . 1 1 3 3 LYS N N 3 120.527 120.527 120.882 -0.355 19666
628 1 3 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.314 0.022 19666
629 1 3 . 1 1 3 3 LYS C C 3 175.343 175.343 175.262 0.081 19666
630 1 3 . 1 1 3 3 LYS CA C 3 54.848 54.848 54.017 0.831 19666
631 1 3 . 1 1 3 3 LYS CB C 3 34.392 34.392 33.990 0.402 19666
632 1 3 . 1 1 3 3 LYS H H 3 8.275 8.275 8.280 -0.005 19666
633 1 3 . 1 1 4 4 ASP N N 4 120.351 120.351 119.871 0.480 19666
634 1 3 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.366 0.011 19666
635 1 3 . 1 1 4 4 ASP C C 4 177.084 177.084 177.569 -0.485 19666
636 1 3 . 1 1 4 4 ASP CA C 4 55.908 55.908 55.778 0.130 19666
637 1 3 . 1 1 4 4 ASP CB C 4 41.206 41.206 40.211 0.995 19666
638 1 3 . 1 1 4 4 ASP H H 4 8.288 8.288 8.440 -0.152 19666
639 1 3 . 1 1 5 5 GLY N N 5 113.320 113.320 113.230 0.090 19666
640 1 3 . 1 1 5 5 GLY C C 5 174.205 174.205 173.971 0.234 19666
641 1 3 . 1 1 5 5 GLY CA C 5 45.496 45.496 44.665 0.831 19666
642 1 3 . 1 1 5 5 GLY H H 5 8.823 8.823 8.595 0.228 19666
643 1 3 . 1 1 6 6 ASP N N 6 121.054 121.054 121.564 -0.510 19666
644 1 3 . 1 1 6 6 ASP HA H 6 4.641 4.641 5.075 -0.434 19666
645 1 3 . 1 1 6 6 ASP C C 6 175.139 175.139 175.365 -0.226 19666
646 1 3 . 1 1 6 6 ASP CA C 6 55.022 55.022 54.356 0.666 19666
647 1 3 . 1 1 6 6 ASP CB C 6 41.095 41.095 42.434 -1.339 19666
648 1 3 . 1 1 6 6 ASP H H 6 8.291 8.291 7.710 0.581 19666
649 1 3 . 1 1 7 7 VAL N N 7 110.156 110.156 115.886 -5.730 19666
650 1 3 . 1 1 7 7 VAL HA H 7 5.505 5.505 5.271 0.234 19666
651 1 3 . 1 1 7 7 VAL C C 7 175.917 175.917 174.111 1.806 19666
652 1 3 . 1 1 7 7 VAL CA C 7 59.486 59.486 59.373 0.112 19666
653 1 3 . 1 1 7 7 VAL CB C 7 37.503 37.503 36.054 1.449 19666
654 1 3 . 1 1 7 7 VAL H H 7 8.242 8.242 8.313 -0.071 19666
655 1 3 . 1 1 8 8 GLU N N 8 119.824 119.824 121.526 -1.702 19666
656 1 3 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.692 0.016 19666
657 1 3 . 1 1 8 8 GLU C C 8 175.138 175.138 175.252 -0.114 19666
658 1 3 . 1 1 8 8 GLU CA C 8 55.018 55.018 54.549 0.469 19666
659 1 3 . 1 1 8 8 GLU CB C 8 32.660 32.660 33.476 -0.816 19666
660 1 3 . 1 1 8 8 GLU H H 8 8.428 8.428 8.885 -0.457 19666
661 1 3 . 1 1 9 9 GLY N N 9 112.265 112.265 111.721 0.544 19666
662 1 3 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.474 0.213 19666
663 1 3 . 1 1 9 9 GLY H H 9 8.498 8.498 8.249 0.249 19666
664 1 3 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.501 -0.048 19666
665 1 3 . 1 1 10 10 PRO C C 10 175.902 175.902 176.559 -0.657 19666
666 1 3 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.887 -0.631 19666
667 1 3 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.412 -0.100 19666
668 1 3 . 1 1 11 11 ALA N N 11 123.340 123.340 124.672 -1.332 19666
669 1 3 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.127 0.034 19666
670 1 3 . 1 1 11 11 ALA C C 11 179.442 179.442 178.231 1.211 19666
671 1 3 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.153 0.513 19666
672 1 3 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.626 -0.724 19666
673 1 3 . 1 1 11 11 ALA H H 11 8.424 8.424 8.408 0.016 19666
674 1 3 . 1 1 12 12 GLY N N 12 111.386 111.386 111.784 -0.398 19666
675 1 3 . 1 1 12 12 GLY C C 12 174.908 174.908 174.589 0.319 19666
676 1 3 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.518 0.637 19666
677 1 3 . 1 1 12 12 GLY H H 12 8.795 8.795 8.624 0.171 19666
678 1 3 . 1 1 13 13 CYS N N 13 118.593 118.593 117.559 1.034 19666
679 1 3 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.739 -0.164 19666
680 1 3 . 1 1 13 13 CYS C C 13 173.390 173.390 173.907 -0.517 19666
681 1 3 . 1 1 13 13 CYS CA C 13 55.412 55.412 57.196 -1.784 19666
682 1 3 . 1 1 13 13 CYS CB C 13 40.858 40.858 28.745 12.113 19666
683 1 3 . 1 1 13 13 CYS H H 13 8.051 8.051 7.774 0.277 19666
684 1 3 . 1 1 14 14 LYS N N 14 120.527 120.527 120.842 -0.315 19666
685 1 3 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.475 -0.062 19666
686 1 3 . 1 1 14 14 LYS C C 14 174.523 174.523 175.628 -1.105 19666
687 1 3 . 1 1 14 14 LYS CA C 14 56.695 56.695 55.823 0.872 19666
688 1 3 . 1 1 14 14 LYS CB C 14 34.840 34.840 33.279 1.561 19666
689 1 3 . 1 1 14 14 LYS H H 14 8.661 8.661 8.385 0.276 19666
690 1 3 . 1 1 15 15 LYS N N 15 120.000 120.000 118.812 1.188 19666
691 1 3 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.758 -0.713 19666
692 1 3 . 1 1 15 15 LYS C C 15 174.446 174.446 175.233 -0.787 19666
693 1 3 . 1 1 15 15 LYS CA C 15 55.806 55.806 54.441 1.365 19666
694 1 3 . 1 1 15 15 LYS CB C 15 34.975 34.975 36.401 -1.425 19666
695 1 3 . 1 1 15 15 LYS H H 15 7.335 7.335 8.231 -0.896 19666
696 1 3 . 1 1 16 16 TYR N N 16 118.242 118.242 121.559 -3.317 19666
697 1 3 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.120 -0.511 19666
698 1 3 . 1 1 16 16 TYR C C 16 176.146 176.146 175.840 0.306 19666
699 1 3 . 1 1 16 16 TYR CA C 16 59.985 59.985 61.269 -1.284 19666
700 1 3 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.806 0.376 19666
701 1 3 . 1 1 16 16 TYR H H 16 9.183 9.183 8.433 0.750 19666
702 1 3 . 1 1 17 17 ASP N N 17 123.164 123.164 121.577 1.587 19666
703 1 3 . 1 1 17 17 ASP HA H 17 4.089 4.089 3.984 0.105 19666
704 1 3 . 1 1 17 17 ASP C C 17 174.793 174.793 174.278 0.515 19666
705 1 3 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.612 -0.230 19666
706 1 3 . 1 1 17 17 ASP CB C 17 39.934 39.934 38.995 0.939 19666
707 1 3 . 1 1 17 17 ASP H H 17 9.185 9.185 7.856 1.329 19666
708 1 3 . 1 1 18 18 VAL N N 18 121.230 121.230 116.642 4.588 19666
709 1 3 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.228 -0.259 19666
710 1 3 . 1 1 18 18 VAL C C 18 175.615 175.615 175.375 0.240 19666
711 1 3 . 1 1 18 18 VAL CA C 18 62.527 62.527 60.377 2.150 19666
712 1 3 . 1 1 18 18 VAL CB C 18 31.705 31.705 35.078 -3.373 19666
713 1 3 . 1 1 18 18 VAL H H 18 7.873 7.873 7.423 0.450 19666
714 1 3 . 1 1 19 19 GLU N N 19 126.328 126.328 125.034 1.294 19666
715 1 3 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.189 0.662 19666
716 1 3 . 1 1 19 19 GLU C C 19 175.883 175.883 175.806 0.077 19666
717 1 3 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.806 -0.379 19666
718 1 3 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.704 -1.161 19666
719 1 3 . 1 1 19 19 GLU H H 19 8.437 8.437 8.656 -0.219 19666
720 1 3 . 1 1 20 20 CYS N N 20 117.715 117.715 120.173 -2.458 19666
721 1 3 . 1 1 20 20 CYS HA H 20 4.920 4.920 5.031 -0.111 19666
722 1 3 . 1 1 20 20 CYS C C 20 172.746 172.746 173.589 -0.843 19666
723 1 3 . 1 1 20 20 CYS CA C 20 53.849 53.849 55.968 -2.119 19666
724 1 3 . 1 1 20 20 CYS CB C 20 45.604 45.604 30.982 14.622 19666
725 1 3 . 1 1 20 20 CYS H H 20 8.357 8.357 8.522 -0.165 19666
726 1 3 . 1 1 21 21 ASP N N 21 119.297 119.297 121.970 -2.673 19666
727 1 3 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.934 -0.154 19666
728 1 3 . 1 1 21 21 ASP C C 21 175.903 175.903 177.159 -1.256 19666
729 1 3 . 1 1 21 21 ASP CA C 21 53.839 53.839 53.685 0.154 19666
730 1 3 . 1 1 21 21 ASP H H 21 8.077 8.077 8.579 -0.502 19666
731 1 3 . 1 1 22 22 SER N N 22 113.751 113.751 119.975 -6.224 19666
732 1 3 . 1 1 22 22 SER HA H 22 4.066 4.066 4.131 -0.065 19666
733 1 3 . 1 1 22 22 SER C C 22 175.610 175.610 175.083 0.527 19666
734 1 3 . 1 1 22 22 SER CA C 22 59.986 59.986 59.081 0.905 19666
735 1 3 . 1 1 22 22 SER CB C 22 63.377 63.377 62.213 1.164 19666
736 1 3 . 1 1 22 22 SER H H 22 8.477 8.477 8.958 -0.481 19666
737 1 3 . 1 1 23 23 GLY N N 23 112.441 112.441 107.860 4.581 19666
738 1 3 . 1 1 23 23 GLY C C 23 175.341 175.341 173.884 1.457 19666
739 1 3 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.909 -0.284 19666
740 1 3 . 1 1 23 23 GLY H H 23 8.666 8.666 8.500 0.166 19666
741 1 3 . 1 1 24 24 GLU N N 24 115.429 115.429 119.528 -4.099 19666
742 1 3 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.620 -0.300 19666
743 1 3 . 1 1 24 24 GLU CA C 24 56.875 56.875 56.130 0.745 19666
744 1 3 . 1 1 24 24 GLU CB C 24 32.969 32.969 31.503 1.466 19666
745 1 3 . 1 1 24 24 GLU H H 24 7.852 7.852 7.804 0.048 19666
746 1 3 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.749 0.131 19666
747 1 3 . 1 1 25 25 CYS C C 25 175.605 175.605 174.957 0.648 19666
748 1 3 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.250 -1.833 19666
749 1 3 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.669 11.338 19666
750 1 3 . 1 1 26 26 CYS N N 26 122.988 122.988 121.179 1.809 19666
751 1 3 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.391 0.178 19666
752 1 3 . 1 1 26 26 CYS C C 26 172.335 172.335 176.621 -4.286 19666
753 1 3 . 1 1 26 26 CYS CA C 26 55.441 55.441 60.009 -4.568 19666
754 1 3 . 1 1 26 26 CYS CB C 26 38.977 38.977 28.791 10.186 19666
755 1 3 . 1 1 26 26 CYS H H 26 9.987 9.987 8.722 1.265 19666
756 1 3 . 1 1 27 27 GLN N N 27 119.472 119.472 120.236 -0.764 19666
757 1 3 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.079 0.077 19666
758 1 3 . 1 1 27 27 GLN C C 27 178.958 178.958 176.875 2.083 19666
759 1 3 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.302 1.095 19666
760 1 3 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.227 -0.093 19666
761 1 3 . 1 1 27 27 GLN H H 27 8.129 8.129 8.340 -0.211 19666
762 1 3 . 1 1 28 28 LYS N N 28 111.211 111.211 114.859 -3.648 19666
763 1 3 . 1 1 28 28 LYS HA H 28 5.398 5.398 5.009 0.389 19666
764 1 3 . 1 1 28 28 LYS C C 28 174.506 174.506 174.562 -0.056 19666
765 1 3 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.618 -0.902 19666
766 1 3 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.450 2.772 19666
767 1 3 . 1 1 28 28 LYS H H 28 7.945 7.945 7.508 0.437 19666
768 1 3 . 1 1 29 29 GLN N N 29 120.527 120.527 119.617 0.910 19666
769 1 3 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.149 0.124 19666
770 1 3 . 1 1 29 29 GLN C C 29 173.392 173.392 174.081 -0.689 19666
771 1 3 . 1 1 29 29 GLN CA C 29 54.499 54.499 54.859 -0.360 19666
772 1 3 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.501 -0.508 19666
773 1 3 . 1 1 29 29 GLN H H 29 9.096 9.096 9.057 0.039 19666
774 1 3 . 1 1 30 30 TYR N N 30 130.371 130.371 127.020 3.351 19666
775 1 3 . 1 1 30 30 TYR HA H 30 3.824 3.824 4.026 -0.202 19666
776 1 3 . 1 1 30 30 TYR C C 30 173.213 173.213 174.203 -0.990 19666
777 1 3 . 1 1 30 30 TYR CA C 30 58.018 58.018 58.070 -0.052 19666
778 1 3 . 1 1 30 30 TYR CB C 30 35.574 35.574 36.818 -1.244 19666
779 1 3 . 1 1 30 30 TYR H H 30 8.378 8.378 8.264 0.114 19666
780 1 3 . 1 1 31 31 LEU N N 31 132.129 132.129 126.311 5.818 19666
781 1 3 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.360 -0.505 19666
782 1 3 . 1 1 31 31 LEU C C 31 174.716 174.716 175.992 -1.276 19666
783 1 3 . 1 1 31 31 LEU CA C 31 52.890 52.890 54.029 -1.139 19666
784 1 3 . 1 1 31 31 LEU CB C 31 46.322 46.322 44.161 2.161 19666
785 1 3 . 1 1 31 31 LEU H H 31 8.015 8.015 8.458 -0.443 19666
786 1 3 . 1 1 32 32 TRP N N 32 126.855 126.855 122.415 4.440 19666
787 1 3 . 1 1 32 32 TRP HA H 32 3.674 3.674 4.246 -0.572 19666
788 1 3 . 1 1 32 32 TRP C C 32 176.444 176.444 175.670 0.774 19666
789 1 3 . 1 1 32 32 TRP CA C 32 57.808 57.808 58.032 -0.224 19666
790 1 3 . 1 1 32 32 TRP CB C 32 24.551 24.551 27.180 -2.628 19666
791 1 3 . 1 1 32 32 TRP H H 32 8.835 8.835 8.483 0.352 19666
792 1 3 . 1 1 33 33 TYR N N 33 109.453 109.453 113.034 -3.581 19666
793 1 3 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.186 0.255 19666
794 1 3 . 1 1 33 33 TYR C C 33 173.802 173.802 174.916 -1.114 19666
795 1 3 . 1 1 33 33 TYR CA C 33 59.804 59.804 59.048 0.756 19666
796 1 3 . 1 1 33 33 TYR CB C 33 35.213 35.213 36.595 -1.382 19666
797 1 3 . 1 1 33 33 TYR H H 33 8.021 8.021 7.947 0.074 19666
798 1 3 . 1 1 34 34 LYS N N 34 116.660 116.660 117.387 -0.727 19666
799 1 3 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.581 -0.166 19666
800 1 3 . 1 1 34 34 LYS C C 34 174.545 174.545 174.124 0.421 19666
801 1 3 . 1 1 34 34 LYS CA C 34 55.268 55.268 55.110 0.158 19666
802 1 3 . 1 1 34 34 LYS CB C 34 37.142 37.142 36.704 0.438 19666
803 1 3 . 1 1 34 34 LYS H H 34 6.799 6.799 7.125 -0.326 19666
804 1 3 . 1 1 35 35 TRP N N 35 122.637 122.637 123.806 -1.169 19666
805 1 3 . 1 1 35 35 TRP HA H 35 4.565 4.565 5.027 -0.462 19666
806 1 3 . 1 1 35 35 TRP C C 35 176.720 176.720 176.808 -0.088 19666
807 1 3 . 1 1 35 35 TRP CA C 35 58.264 58.264 57.216 1.048 19666
808 1 3 . 1 1 35 35 TRP CB C 35 29.346 29.346 29.479 -0.133 19666
809 1 3 . 1 1 35 35 TRP H H 35 8.786 8.786 8.739 0.047 19666
810 1 3 . 1 1 36 36 ARG N N 36 125.976 125.976 123.970 2.006 19666
811 1 3 . 1 1 36 36 ARG HA H 36 5.133 5.133 5.077 0.056 19666
812 1 3 . 1 1 36 36 ARG CA C 36 53.125 53.125 52.955 0.170 19666
813 1 3 . 1 1 36 36 ARG CB C 36 31.094 31.094 30.984 0.110 19666
814 1 3 . 1 1 36 36 ARG H H 36 9.128 9.128 8.478 0.650 19666
815 1 3 . 1 1 37 37 PRO HA H 37 5.364 5.364 5.013 0.351 19666
816 1 3 . 1 1 37 37 PRO C C 37 175.961 175.961 176.114 -0.153 19666
817 1 3 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.490 -0.470 19666
818 1 3 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.879 -0.730 19666
819 1 3 . 1 1 38 38 LEU N N 38 116.660 116.660 117.481 -0.821 19666
820 1 3 . 1 1 38 38 LEU HA H 38 5.613 5.613 5.351 0.262 19666
821 1 3 . 1 1 38 38 LEU C C 38 177.828 177.828 175.459 2.369 19666
822 1 3 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.543 -1.055 19666
823 1 3 . 1 1 38 38 LEU CB C 38 45.969 45.969 45.988 -0.019 19666
824 1 3 . 1 1 38 38 LEU H H 38 7.047 7.047 8.473 -1.426 19666
825 1 3 . 1 1 39 39 ASP N N 39 117.187 117.187 120.593 -3.406 19666
826 1 3 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.897 -0.232 19666
827 1 3 . 1 1 39 39 ASP C C 39 173.855 173.855 175.051 -1.196 19666
828 1 3 . 1 1 39 39 ASP CA C 39 53.115 53.115 52.897 0.218 19666
829 1 3 . 1 1 39 39 ASP CB C 39 44.870 44.870 44.528 0.342 19666
830 1 3 . 1 1 39 39 ASP H H 39 9.136 9.136 8.634 0.502 19666
831 1 3 . 1 1 40 40 CYS N N 40 122.812 122.812 124.368 -1.556 19666
832 1 3 . 1 1 40 40 CYS HA H 40 4.645 4.645 4.457 0.188 19666
833 1 3 . 1 1 40 40 CYS C C 40 173.638 173.638 174.841 -1.203 19666
834 1 3 . 1 1 40 40 CYS CA C 40 56.149 56.149 59.649 -3.500 19666
835 1 3 . 1 1 40 40 CYS CB C 40 38.887 38.887 24.987 13.900 19666
836 1 3 . 1 1 40 40 CYS H H 40 8.704 8.704 8.748 -0.044 19666
837 1 3 . 1 1 41 41 ARG N N 41 131.953 131.953 124.474 7.479 19666
838 1 3 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.585 0.101 19666
839 1 3 . 1 1 41 41 ARG C C 41 175.082 175.082 175.575 -0.493 19666
840 1 3 . 1 1 41 41 ARG CA C 41 54.050 54.050 54.581 -0.531 19666
841 1 3 . 1 1 41 41 ARG CB C 41 32.462 32.462 32.451 0.011 19666
842 1 3 . 1 1 41 41 ARG H H 41 8.742 8.742 8.214 0.528 19666
843 1 3 . 1 1 42 42 CYS N N 42 123.340 123.340 122.020 1.320 19666
844 1 3 . 1 1 42 42 CYS HA H 42 5.216 5.216 4.938 0.278 19666
845 1 3 . 1 1 42 42 CYS C C 42 174.439 174.439 174.746 -0.307 19666
846 1 3 . 1 1 42 42 CYS CA C 42 55.531 55.531 57.940 -2.409 19666
847 1 3 . 1 1 42 42 CYS CB C 42 44.384 44.384 26.130 18.254 19666
848 1 3 . 1 1 42 42 CYS H H 42 8.945 8.945 8.666 0.279 19666
849 1 3 . 1 1 43 43 LEU N N 43 125.976 125.976 124.283 1.693 19666
850 1 3 . 1 1 43 43 LEU HA H 43 4.544 4.544 4.998 -0.454 19666
851 1 3 . 1 1 43 43 LEU C C 43 176.723 176.723 174.977 1.746 19666
852 1 3 . 1 1 43 43 LEU CA C 43 54.458 54.458 54.150 0.308 19666
853 1 3 . 1 1 43 43 LEU CB C 43 43.516 43.516 44.642 -1.126 19666
854 1 3 . 1 1 43 43 LEU H H 43 8.722 8.722 8.484 0.238 19666
855 1 3 . 1 1 44 44 LYS N N 44 122.285 122.285 120.498 1.787 19666
856 1 3 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.766 -0.245 19666
857 1 3 . 1 1 44 44 LYS C C 44 176.254 176.254 175.507 0.747 19666
858 1 3 . 1 1 44 44 LYS CA C 44 56.395 56.395 55.547 0.848 19666
859 1 3 . 1 1 44 44 LYS CB C 44 33.171 33.171 34.849 -1.678 19666
860 1 3 . 1 1 44 44 LYS H H 44 8.577 8.577 8.271 0.306 19666
861 1 3 . 1 1 45 45 SER N N 45 117.715 117.715 118.028 -0.313 19666
862 1 3 . 1 1 45 45 SER HA H 45 4.562 4.562 4.546 0.016 19666
863 1 3 . 1 1 45 45 SER C C 45 174.264 174.264 175.152 -0.888 19666
864 1 3 . 1 1 45 45 SER CA C 45 57.318 57.318 57.590 -0.272 19666
865 1 3 . 1 1 45 45 SER CB C 45 64.221 64.221 62.783 1.438 19666
866 1 3 . 1 1 45 45 SER H H 45 8.254 8.254 8.744 -0.490 19666
867 1 3 . 1 1 46 46 GLY N N 46 111.386 111.386 116.137 -4.751 19666
868 1 3 . 1 1 46 46 GLY C C 46 174.068 174.068 174.228 -0.160 19666
869 1 3 . 1 1 46 46 GLY CA C 46 45.310 45.310 44.947 0.363 19666
870 1 3 . 1 1 46 46 GLY H H 46 8.405 8.405 8.573 -0.168 19666
871 1 3 . 1 1 47 47 PHE N N 47 120.703 120.703 120.783 -0.080 19666
872 1 3 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.545 -0.181 19666
873 1 3 . 1 1 47 47 PHE C C 47 176.313 176.313 175.972 0.341 19666
874 1 3 . 1 1 47 47 PHE CA C 47 58.892 58.892 56.972 1.920 19666
875 1 3 . 1 1 47 47 PHE CB C 47 39.249 39.249 39.324 -0.075 19666
876 1 3 . 1 1 47 47 PHE H H 47 8.362 8.362 7.054 1.308 19666
877 1 3 . 1 1 48 48 PHE N N 48 117.363 117.363 121.036 -3.673 19666
878 1 3 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.350 0.320 19666
879 1 3 . 1 1 48 48 PHE C C 48 175.325 175.325 176.787 -1.462 19666
880 1 3 . 1 1 48 48 PHE CA C 48 57.687 57.687 60.120 -2.433 19666
881 1 3 . 1 1 48 48 PHE CB C 48 39.669 39.669 39.281 0.388 19666
882 1 3 . 1 1 48 48 PHE H H 48 8.316 8.316 8.647 -0.331 19666
883 1 3 . 1 1 49 49 SER N N 49 114.726 114.726 116.860 -2.134 19666
884 1 3 . 1 1 49 49 SER HA H 49 4.498 4.498 4.523 -0.025 19666
885 1 3 . 1 1 49 49 SER C C 49 174.190 174.190 173.651 0.539 19666
886 1 3 . 1 1 49 49 SER CA C 49 58.441 58.441 58.362 0.079 19666
887 1 3 . 1 1 49 49 SER CB C 49 64.234 64.234 63.152 1.082 19666
888 1 3 . 1 1 49 49 SER H H 49 7.831 7.831 8.186 -0.355 19666
889 1 3 . 1 1 50 50 SER N N 50 117.363 117.363 121.169 -3.806 19666
890 1 3 . 1 1 50 50 SER HA H 50 4.682 4.682 4.481 0.201 19666
891 1 3 . 1 1 50 50 SER C C 50 173.200 173.200 174.225 -1.025 19666
892 1 3 . 1 1 50 50 SER CA C 50 58.394 58.394 58.470 -0.076 19666
893 1 3 . 1 1 50 50 SER CB C 50 64.843 64.843 64.176 0.667 19666
894 1 3 . 1 1 50 50 SER H H 50 8.396 8.396 8.346 0.050 19666
895 1 3 . 1 1 51 51 LYS N N 51 122.812 122.812 125.720 -2.908 19666
896 1 3 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.622 -0.094 19666
897 1 3 . 1 1 51 51 LYS C C 51 175.239 175.239 175.160 0.079 19666
898 1 3 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.433 0.326 19666
899 1 3 . 1 1 51 51 LYS CB C 51 34.450 34.450 34.917 -0.467 19666
900 1 3 . 1 1 51 51 LYS H H 51 8.453 8.453 8.291 0.162 19666
901 1 3 . 1 1 52 52 CYS N N 52 124.922 124.922 123.227 1.695 19666
902 1 3 . 1 1 52 52 CYS HA H 52 5.525 5.525 5.458 0.067 19666
903 1 3 . 1 1 52 52 CYS C C 52 174.345 174.345 174.404 -0.059 19666
904 1 3 . 1 1 52 52 CYS CA C 52 55.786 55.786 57.706 -1.920 19666
905 1 3 . 1 1 52 52 CYS CB C 52 47.500 47.500 26.552 20.948 19666
906 1 3 . 1 1 52 52 CYS H H 52 8.828 8.828 8.942 -0.114 19666
907 1 3 . 1 1 53 53 VAL N N 53 117.187 117.187 117.098 0.089 19666
908 1 3 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.607 0.404 19666
909 1 3 . 1 1 53 53 VAL C C 53 176.396 176.396 174.358 2.038 19666
910 1 3 . 1 1 53 53 VAL CA C 53 59.190 59.190 59.268 -0.078 19666
911 1 3 . 1 1 53 53 VAL CB C 53 37.293 37.293 35.077 2.216 19666
912 1 3 . 1 1 53 53 VAL H H 53 8.625 8.625 8.596 0.029 19666
913 1 3 . 1 1 54 54 CYS N N 54 120.703 120.703 121.035 -0.332 19666
914 1 3 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.336 0.676 19666
915 1 3 . 1 1 54 54 CYS C C 54 175.637 175.637 174.569 1.068 19666
916 1 3 . 1 1 54 54 CYS CA C 54 55.432 55.432 60.896 -5.464 19666
917 1 3 . 1 1 54 54 CYS CB C 54 40.268 40.268 25.816 14.452 19666
918 1 3 . 1 1 54 54 CYS H H 54 8.072 8.072 8.327 -0.255 19666
919 1 3 . 1 1 55 55 ARG N N 55 124.922 124.922 120.973 3.949 19666
920 1 3 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.732 0.121 19666
921 1 3 . 1 1 55 55 ARG C C 55 174.029 174.029 174.483 -0.454 19666
922 1 3 . 1 1 55 55 ARG CA C 55 53.194 53.194 54.076 -0.882 19666
923 1 3 . 1 1 55 55 ARG CB C 55 35.049 35.049 34.862 0.187 19666
924 1 3 . 1 1 55 55 ARG H H 55 9.378 9.378 8.422 0.956 19666
925 1 3 . 1 1 56 56 ASP N N 56 117.011 117.011 120.190 -3.179 19666
926 1 3 . 1 1 56 56 ASP HA H 56 5.244 5.244 5.071 0.173 19666
927 1 3 . 1 1 56 56 ASP C C 56 175.192 175.192 176.142 -0.950 19666
928 1 3 . 1 1 56 56 ASP CA C 56 53.525 53.525 54.430 -0.905 19666
929 1 3 . 1 1 56 56 ASP CB C 56 39.655 39.655 41.131 -1.476 19666
930 1 3 . 1 1 56 56 ASP H H 56 9.693 9.693 8.825 0.868 19666
931 1 4 . 1 1 2 2 ALA N N 2 124.746 124.746 123.438 1.308 19666
932 1 4 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.441 -0.214 19666
933 1 4 . 1 1 2 2 ALA C C 2 176.106 176.106 177.648 -1.542 19666
934 1 4 . 1 1 2 2 ALA CA C 2 52.504 52.504 51.309 1.196 19666
935 1 4 . 1 1 2 2 ALA CB C 2 19.016 19.016 20.172 -1.156 19666
936 1 4 . 1 1 2 2 ALA H H 2 8.421 8.421 8.072 0.349 19666
937 1 4 . 1 1 3 3 LYS N N 3 120.527 120.527 120.626 -0.099 19666
938 1 4 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.349 -0.013 19666
939 1 4 . 1 1 3 3 LYS C C 3 175.343 175.343 176.103 -0.760 19666
940 1 4 . 1 1 3 3 LYS CA C 3 54.848 54.848 55.785 -0.937 19666
941 1 4 . 1 1 3 3 LYS CB C 3 34.392 34.392 33.431 0.961 19666
942 1 4 . 1 1 3 3 LYS H H 3 8.275 8.275 8.680 -0.405 19666
943 1 4 . 1 1 4 4 ASP N N 4 120.351 120.351 119.252 1.099 19666
944 1 4 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.420 -0.043 19666
945 1 4 . 1 1 4 4 ASP C C 4 177.084 177.084 177.553 -0.469 19666
946 1 4 . 1 1 4 4 ASP CA C 4 55.908 55.908 54.786 1.121 19666
947 1 4 . 1 1 4 4 ASP CB C 4 41.206 41.206 40.639 0.567 19666
948 1 4 . 1 1 4 4 ASP H H 4 8.288 8.288 8.298 -0.010 19666
949 1 4 . 1 1 5 5 GLY N N 5 113.320 113.320 112.840 0.480 19666
950 1 4 . 1 1 5 5 GLY C C 5 174.205 174.205 173.966 0.239 19666
951 1 4 . 1 1 5 5 GLY CA C 5 45.496 45.496 44.874 0.622 19666
952 1 4 . 1 1 5 5 GLY H H 5 8.823 8.823 8.824 -0.001 19666
953 1 4 . 1 1 6 6 ASP N N 6 121.054 121.054 121.370 -0.316 19666
954 1 4 . 1 1 6 6 ASP HA H 6 4.641 4.641 4.943 -0.302 19666
955 1 4 . 1 1 6 6 ASP C C 6 175.139 175.139 175.321 -0.182 19666
956 1 4 . 1 1 6 6 ASP CA C 6 55.022 55.022 54.452 0.570 19666
957 1 4 . 1 1 6 6 ASP CB C 6 41.095 41.095 42.177 -1.082 19666
958 1 4 . 1 1 6 6 ASP H H 6 8.291 8.291 7.745 0.546 19666
959 1 4 . 1 1 7 7 VAL N N 7 110.156 110.156 118.265 -8.109 19666
960 1 4 . 1 1 7 7 VAL HA H 7 5.505 5.505 5.327 0.178 19666
961 1 4 . 1 1 7 7 VAL C C 7 175.917 175.917 174.058 1.859 19666
962 1 4 . 1 1 7 7 VAL CA C 7 59.486 59.486 58.953 0.533 19666
963 1 4 . 1 1 7 7 VAL CB C 7 37.503 37.503 35.799 1.704 19666
964 1 4 . 1 1 7 7 VAL H H 7 8.242 8.242 8.252 -0.010 19666
965 1 4 . 1 1 8 8 GLU N N 8 119.824 119.824 121.279 -1.455 19666
966 1 4 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.632 0.076 19666
967 1 4 . 1 1 8 8 GLU C C 8 175.138 175.138 175.601 -0.463 19666
968 1 4 . 1 1 8 8 GLU CA C 8 55.018 55.018 54.820 0.198 19666
969 1 4 . 1 1 8 8 GLU CB C 8 32.660 32.660 32.651 0.009 19666
970 1 4 . 1 1 8 8 GLU H H 8 8.428 8.428 8.908 -0.480 19666
971 1 4 . 1 1 9 9 GLY N N 9 112.265 112.265 110.895 1.370 19666
972 1 4 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.301 0.386 19666
973 1 4 . 1 1 9 9 GLY H H 9 8.498 8.498 8.354 0.144 19666
974 1 4 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.521 -0.068 19666
975 1 4 . 1 1 10 10 PRO C C 10 175.902 175.902 176.350 -0.448 19666
976 1 4 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.505 -0.249 19666
977 1 4 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.255 0.057 19666
978 1 4 . 1 1 11 11 ALA N N 11 123.340 123.340 123.884 -0.544 19666
979 1 4 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.171 -0.010 19666
980 1 4 . 1 1 11 11 ALA C C 11 179.442 179.442 178.235 1.207 19666
981 1 4 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.059 0.607 19666
982 1 4 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.466 -0.564 19666
983 1 4 . 1 1 11 11 ALA H H 11 8.424 8.424 8.341 0.083 19666
984 1 4 . 1 1 12 12 GLY N N 12 111.386 111.386 111.785 -0.399 19666
985 1 4 . 1 1 12 12 GLY C C 12 174.908 174.908 174.667 0.241 19666
986 1 4 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.502 0.653 19666
987 1 4 . 1 1 12 12 GLY H H 12 8.795 8.795 8.657 0.138 19666
988 1 4 . 1 1 13 13 CYS N N 13 118.593 118.593 117.248 1.345 19666
989 1 4 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.694 -0.119 19666
990 1 4 . 1 1 13 13 CYS C C 13 173.390 173.390 174.469 -1.079 19666
991 1 4 . 1 1 13 13 CYS CA C 13 55.412 55.412 57.201 -1.789 19666
992 1 4 . 1 1 13 13 CYS CB C 13 40.858 40.858 28.940 11.918 19666
993 1 4 . 1 1 13 13 CYS H H 13 8.051 8.051 7.693 0.358 19666
994 1 4 . 1 1 14 14 LYS N N 14 120.527 120.527 122.261 -1.734 19666
995 1 4 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.480 -0.067 19666
996 1 4 . 1 1 14 14 LYS C C 14 174.523 174.523 176.286 -1.763 19666
997 1 4 . 1 1 14 14 LYS CA C 14 56.695 56.695 55.379 1.317 19666
998 1 4 . 1 1 14 14 LYS CB C 14 34.840 34.840 32.238 2.602 19666
999 1 4 . 1 1 14 14 LYS H H 14 8.661 8.661 8.456 0.205 19666
1000 1 4 . 1 1 15 15 LYS N N 15 120.000 120.000 124.294 -4.294 19666
1001 1 4 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.398 -0.353 19666
1002 1 4 . 1 1 15 15 LYS C C 15 174.446 174.446 175.968 -1.522 19666
1003 1 4 . 1 1 15 15 LYS CA C 15 55.806 55.806 55.711 0.095 19666
1004 1 4 . 1 1 15 15 LYS CB C 15 34.975 34.975 33.617 1.358 19666
1005 1 4 . 1 1 15 15 LYS H H 15 7.335 7.335 8.552 -1.217 19666
1006 1 4 . 1 1 16 16 TYR N N 16 118.242 118.242 121.103 -2.861 19666
1007 1 4 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.231 -0.622 19666
1008 1 4 . 1 1 16 16 TYR C C 16 176.146 176.146 176.785 -0.639 19666
1009 1 4 . 1 1 16 16 TYR CA C 16 59.985 59.985 60.105 -0.120 19666
1010 1 4 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.814 0.368 19666
1011 1 4 . 1 1 16 16 TYR H H 16 9.183 9.183 7.869 1.314 19666
1012 1 4 . 1 1 17 17 ASP N N 17 123.164 123.164 121.981 1.183 19666
1013 1 4 . 1 1 17 17 ASP HA H 17 4.089 4.089 3.897 0.192 19666
1014 1 4 . 1 1 17 17 ASP C C 17 174.793 174.793 174.038 0.755 19666
1015 1 4 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.442 -0.060 19666
1016 1 4 . 1 1 17 17 ASP CB C 17 39.934 39.934 39.775 0.159 19666
1017 1 4 . 1 1 17 17 ASP H H 17 9.185 9.185 7.816 1.369 19666
1018 1 4 . 1 1 18 18 VAL N N 18 121.230 121.230 116.351 4.879 19666
1019 1 4 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.203 -0.234 19666
1020 1 4 . 1 1 18 18 VAL C C 18 175.615 175.615 174.827 0.788 19666
1021 1 4 . 1 1 18 18 VAL CA C 18 62.527 62.527 61.050 1.477 19666
1022 1 4 . 1 1 18 18 VAL CB C 18 31.705 31.705 35.650 -3.945 19666
1023 1 4 . 1 1 18 18 VAL H H 18 7.873 7.873 7.442 0.431 19666
1024 1 4 . 1 1 19 19 GLU N N 19 126.328 126.328 124.844 1.484 19666
1025 1 4 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.353 0.498 19666
1026 1 4 . 1 1 19 19 GLU C C 19 175.883 175.883 175.534 0.349 19666
1027 1 4 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.663 -0.236 19666
1028 1 4 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.625 -1.082 19666
1029 1 4 . 1 1 19 19 GLU H H 19 8.437 8.437 8.577 -0.140 19666
1030 1 4 . 1 1 20 20 CYS N N 20 117.715 117.715 119.324 -1.609 19666
1031 1 4 . 1 1 20 20 CYS HA H 20 4.920 4.920 5.012 -0.092 19666
1032 1 4 . 1 1 20 20 CYS C C 20 172.746 172.746 173.723 -0.977 19666
1033 1 4 . 1 1 20 20 CYS CA C 20 53.849 53.849 55.736 -1.887 19666
1034 1 4 . 1 1 20 20 CYS CB C 20 45.604 45.604 30.986 14.618 19666
1035 1 4 . 1 1 20 20 CYS H H 20 8.357 8.357 8.460 -0.103 19666
1036 1 4 . 1 1 21 21 ASP N N 21 119.297 119.297 120.804 -1.507 19666
1037 1 4 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.943 -0.163 19666
1038 1 4 . 1 1 21 21 ASP C C 21 175.903 175.903 176.759 -0.856 19666
1039 1 4 . 1 1 21 21 ASP CA C 21 53.839 53.839 54.020 -0.181 19666
1040 1 4 . 1 1 21 21 ASP H H 21 8.077 8.077 8.651 -0.574 19666
1041 1 4 . 1 1 22 22 SER N N 22 113.751 113.751 118.825 -5.074 19666
1042 1 4 . 1 1 22 22 SER HA H 22 4.066 4.066 4.125 -0.059 19666
1043 1 4 . 1 1 22 22 SER C C 22 175.610 175.610 174.667 0.943 19666
1044 1 4 . 1 1 22 22 SER CA C 22 59.986 59.986 59.218 0.768 19666
1045 1 4 . 1 1 22 22 SER CB C 22 63.377 63.377 62.251 1.126 19666
1046 1 4 . 1 1 22 22 SER H H 22 8.477 8.477 9.003 -0.526 19666
1047 1 4 . 1 1 23 23 GLY N N 23 112.441 112.441 106.471 5.970 19666
1048 1 4 . 1 1 23 23 GLY C C 23 175.341 175.341 173.961 1.380 19666
1049 1 4 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.797 -0.172 19666
1050 1 4 . 1 1 23 23 GLY H H 23 8.666 8.666 8.386 0.280 19666
1051 1 4 . 1 1 24 24 GLU N N 24 115.429 115.429 119.543 -4.114 19666
1052 1 4 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.579 -0.259 19666
1053 1 4 . 1 1 24 24 GLU CA C 24 56.875 56.875 55.697 1.178 19666
1054 1 4 . 1 1 24 24 GLU CB C 24 32.969 32.969 31.741 1.228 19666
1055 1 4 . 1 1 24 24 GLU H H 24 7.852 7.852 7.924 -0.072 19666
1056 1 4 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.779 0.101 19666
1057 1 4 . 1 1 25 25 CYS C C 25 175.605 175.605 175.114 0.491 19666
1058 1 4 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.149 -1.732 19666
1059 1 4 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.564 11.443 19666
1060 1 4 . 1 1 26 26 CYS N N 26 122.988 122.988 121.370 1.618 19666
1061 1 4 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.261 0.307 19666
1062 1 4 . 1 1 26 26 CYS C C 26 172.335 172.335 176.317 -3.982 19666
1063 1 4 . 1 1 26 26 CYS CA C 26 55.441 55.441 61.022 -5.580 19666
1064 1 4 . 1 1 26 26 CYS CB C 26 38.977 38.977 28.772 10.205 19666
1065 1 4 . 1 1 26 26 CYS H H 26 9.987 9.987 8.534 1.453 19666
1066 1 4 . 1 1 27 27 GLN N N 27 119.472 119.472 120.104 -0.632 19666
1067 1 4 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.094 0.062 19666
1068 1 4 . 1 1 27 27 GLN C C 27 178.958 178.958 176.896 2.062 19666
1069 1 4 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.245 1.152 19666
1070 1 4 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.250 -0.116 19666
1071 1 4 . 1 1 27 27 GLN H H 27 8.129 8.129 8.335 -0.206 19666
1072 1 4 . 1 1 28 28 LYS N N 28 111.211 111.211 114.873 -3.662 19666
1073 1 4 . 1 1 28 28 LYS HA H 28 5.398 5.398 4.735 0.663 19666
1074 1 4 . 1 1 28 28 LYS C C 28 174.506 174.506 174.527 -0.021 19666
1075 1 4 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.615 -0.898 19666
1076 1 4 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.145 3.077 19666
1077 1 4 . 1 1 28 28 LYS H H 28 7.945 7.945 7.494 0.451 19666
1078 1 4 . 1 1 29 29 GLN N N 29 120.527 120.527 119.529 0.998 19666
1079 1 4 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.237 0.036 19666
1080 1 4 . 1 1 29 29 GLN C C 29 173.392 173.392 173.818 -0.426 19666
1081 1 4 . 1 1 29 29 GLN CA C 29 54.499 54.499 55.175 -0.676 19666
1082 1 4 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.547 -0.554 19666
1083 1 4 . 1 1 29 29 GLN H H 29 9.096 9.096 8.972 0.124 19666
1084 1 4 . 1 1 30 30 TYR N N 30 130.371 130.371 126.769 3.602 19666
1085 1 4 . 1 1 30 30 TYR HA H 30 3.824 3.824 4.035 -0.211 19666
1086 1 4 . 1 1 30 30 TYR C C 30 173.213 173.213 173.288 -0.075 19666
1087 1 4 . 1 1 30 30 TYR CA C 30 58.018 58.018 57.413 0.605 19666
1088 1 4 . 1 1 30 30 TYR CB C 30 35.574 35.574 37.584 -2.010 19666
1089 1 4 . 1 1 30 30 TYR H H 30 8.378 8.378 8.623 -0.245 19666
1090 1 4 . 1 1 31 31 LEU N N 31 132.129 132.129 126.445 5.684 19666
1091 1 4 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.407 -0.552 19666
1092 1 4 . 1 1 31 31 LEU C C 31 174.716 174.716 175.628 -0.912 19666
1093 1 4 . 1 1 31 31 LEU CA C 31 52.890 52.890 53.885 -0.995 19666
1094 1 4 . 1 1 31 31 LEU CB C 31 46.322 46.322 44.823 1.499 19666
1095 1 4 . 1 1 31 31 LEU H H 31 8.015 8.015 8.413 -0.398 19666
1096 1 4 . 1 1 32 32 TRP N N 32 126.855 126.855 121.633 5.222 19666
1097 1 4 . 1 1 32 32 TRP HA H 32 3.674 3.674 4.167 -0.493 19666
1098 1 4 . 1 1 32 32 TRP C C 32 176.444 176.444 175.929 0.515 19666
1099 1 4 . 1 1 32 32 TRP CA C 32 57.808 57.808 57.577 0.231 19666
1100 1 4 . 1 1 32 32 TRP CB C 32 24.551 24.551 27.399 -2.848 19666
1101 1 4 . 1 1 32 32 TRP H H 32 8.835 8.835 8.492 0.343 19666
1102 1 4 . 1 1 33 33 TYR N N 33 109.453 109.453 115.270 -5.817 19666
1103 1 4 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.420 0.021 19666
1104 1 4 . 1 1 33 33 TYR C C 33 173.802 173.802 173.499 0.303 19666
1105 1 4 . 1 1 33 33 TYR CA C 33 59.804 59.804 59.136 0.668 19666
1106 1 4 . 1 1 33 33 TYR CB C 33 35.213 35.213 37.727 -2.514 19666
1107 1 4 . 1 1 33 33 TYR H H 33 8.021 8.021 8.154 -0.133 19666
1108 1 4 . 1 1 34 34 LYS N N 34 116.660 116.660 118.066 -1.406 19666
1109 1 4 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.511 -0.096 19666
1110 1 4 . 1 1 34 34 LYS C C 34 174.545 174.545 174.423 0.122 19666
1111 1 4 . 1 1 34 34 LYS CA C 34 55.268 55.268 55.404 -0.136 19666
1112 1 4 . 1 1 34 34 LYS CB C 34 37.142 37.142 36.186 0.956 19666
1113 1 4 . 1 1 34 34 LYS H H 34 6.799 6.799 6.464 0.335 19666
1114 1 4 . 1 1 35 35 TRP N N 35 122.637 122.637 124.420 -1.783 19666
1115 1 4 . 1 1 35 35 TRP HA H 35 4.565 4.565 5.050 -0.485 19666
1116 1 4 . 1 1 35 35 TRP C C 35 176.720 176.720 176.835 -0.115 19666
1117 1 4 . 1 1 35 35 TRP CA C 35 58.264 58.264 57.775 0.489 19666
1118 1 4 . 1 1 35 35 TRP CB C 35 29.346 29.346 29.248 0.098 19666
1119 1 4 . 1 1 35 35 TRP H H 35 8.786 8.786 9.056 -0.270 19666
1120 1 4 . 1 1 36 36 ARG N N 36 125.976 125.976 125.040 0.936 19666
1121 1 4 . 1 1 36 36 ARG HA H 36 5.133 5.133 4.981 0.152 19666
1122 1 4 . 1 1 36 36 ARG CA C 36 53.125 53.125 53.103 0.022 19666
1123 1 4 . 1 1 36 36 ARG CB C 36 31.094 31.094 31.488 -0.394 19666
1124 1 4 . 1 1 36 36 ARG H H 36 9.128 9.128 8.953 0.175 19666
1125 1 4 . 1 1 37 37 PRO HA H 37 5.364 5.364 4.559 0.805 19666
1126 1 4 . 1 1 37 37 PRO C C 37 175.961 175.961 176.044 -0.083 19666
1127 1 4 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.592 -0.571 19666
1128 1 4 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.733 -0.584 19666
1129 1 4 . 1 1 38 38 LEU N N 38 116.660 116.660 118.115 -1.455 19666
1130 1 4 . 1 1 38 38 LEU HA H 38 5.613 5.613 4.964 0.649 19666
1131 1 4 . 1 1 38 38 LEU C C 38 177.828 177.828 175.613 2.215 19666
1132 1 4 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.781 -1.293 19666
1133 1 4 . 1 1 38 38 LEU CB C 38 45.969 45.969 45.730 0.239 19666
1134 1 4 . 1 1 38 38 LEU H H 38 7.047 7.047 8.516 -1.469 19666
1135 1 4 . 1 1 39 39 ASP N N 39 117.187 117.187 120.686 -3.499 19666
1136 1 4 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.956 -0.291 19666
1137 1 4 . 1 1 39 39 ASP C C 39 173.855 173.855 175.468 -1.613 19666
1138 1 4 . 1 1 39 39 ASP CA C 39 53.115 53.115 52.937 0.178 19666
1139 1 4 . 1 1 39 39 ASP CB C 39 44.870 44.870 43.746 1.124 19666
1140 1 4 . 1 1 39 39 ASP H H 39 9.136 9.136 8.597 0.539 19666
1141 1 4 . 1 1 40 40 CYS N N 40 122.812 122.812 124.350 -1.538 19666
1142 1 4 . 1 1 40 40 CYS HA H 40 4.645 4.645 4.531 0.114 19666
1143 1 4 . 1 1 40 40 CYS C C 40 173.638 173.638 174.616 -0.978 19666
1144 1 4 . 1 1 40 40 CYS CA C 40 56.149 56.149 59.938 -3.789 19666
1145 1 4 . 1 1 40 40 CYS CB C 40 38.887 38.887 25.941 12.946 19666
1146 1 4 . 1 1 40 40 CYS H H 40 8.704 8.704 8.781 -0.077 19666
1147 1 4 . 1 1 41 41 ARG N N 41 131.953 131.953 125.770 6.183 19666
1148 1 4 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.660 0.026 19666
1149 1 4 . 1 1 41 41 ARG C C 41 175.082 175.082 174.887 0.195 19666
1150 1 4 . 1 1 41 41 ARG CA C 41 54.050 54.050 54.164 -0.115 19666
1151 1 4 . 1 1 41 41 ARG CB C 41 32.462 32.462 34.500 -2.038 19666
1152 1 4 . 1 1 41 41 ARG H H 41 8.742 8.742 8.672 0.070 19666
1153 1 4 . 1 1 42 42 CYS N N 42 123.340 123.340 122.582 0.758 19666
1154 1 4 . 1 1 42 42 CYS HA H 42 5.216 5.216 4.991 0.225 19666
1155 1 4 . 1 1 42 42 CYS C C 42 174.439 174.439 174.627 -0.188 19666
1156 1 4 . 1 1 42 42 CYS CA C 42 55.531 55.531 58.296 -2.765 19666
1157 1 4 . 1 1 42 42 CYS CB C 42 44.384 44.384 25.485 18.899 19666
1158 1 4 . 1 1 42 42 CYS H H 42 8.945 8.945 8.697 0.248 19666
1159 1 4 . 1 1 43 43 LEU N N 43 125.976 125.976 124.602 1.374 19666
1160 1 4 . 1 1 43 43 LEU HA H 43 4.544 4.544 4.727 -0.183 19666
1161 1 4 . 1 1 43 43 LEU C C 43 176.723 176.723 175.101 1.622 19666
1162 1 4 . 1 1 43 43 LEU CA C 43 54.458 54.458 55.069 -0.611 19666
1163 1 4 . 1 1 43 43 LEU CB C 43 43.516 43.516 44.539 -1.023 19666
1164 1 4 . 1 1 43 43 LEU H H 43 8.722 8.722 7.908 0.814 19666
1165 1 4 . 1 1 44 44 LYS N N 44 122.285 122.285 121.685 0.600 19666
1166 1 4 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.596 -0.075 19666
1167 1 4 . 1 1 44 44 LYS C C 44 176.254 176.254 175.529 0.725 19666
1168 1 4 . 1 1 44 44 LYS CA C 44 56.395 56.395 55.120 1.275 19666
1169 1 4 . 1 1 44 44 LYS CB C 44 33.171 33.171 34.801 -1.630 19666
1170 1 4 . 1 1 44 44 LYS H H 44 8.577 8.577 8.482 0.095 19666
1171 1 4 . 1 1 45 45 SER N N 45 117.715 117.715 118.309 -0.594 19666
1172 1 4 . 1 1 45 45 SER HA H 45 4.562 4.562 4.531 0.031 19666
1173 1 4 . 1 1 45 45 SER C C 45 174.264 174.264 174.612 -0.348 19666
1174 1 4 . 1 1 45 45 SER CA C 45 57.318 57.318 58.053 -0.735 19666
1175 1 4 . 1 1 45 45 SER CB C 45 64.221 64.221 63.762 0.459 19666
1176 1 4 . 1 1 45 45 SER H H 45 8.254 8.254 8.515 -0.262 19666
1177 1 4 . 1 1 46 46 GLY N N 46 111.386 111.386 112.709 -1.323 19666
1178 1 4 . 1 1 46 46 GLY C C 46 174.068 174.068 173.734 0.334 19666
1179 1 4 . 1 1 46 46 GLY CA C 46 45.310 45.310 44.703 0.607 19666
1180 1 4 . 1 1 46 46 GLY H H 46 8.405 8.405 8.752 -0.347 19666
1181 1 4 . 1 1 47 47 PHE N N 47 120.703 120.703 120.665 0.038 19666
1182 1 4 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.355 0.009 19666
1183 1 4 . 1 1 47 47 PHE C C 47 176.313 176.313 176.475 -0.162 19666
1184 1 4 . 1 1 47 47 PHE CA C 47 58.892 58.892 56.110 2.782 19666
1185 1 4 . 1 1 47 47 PHE CB C 47 39.249 39.249 39.339 -0.090 19666
1186 1 4 . 1 1 47 47 PHE H H 47 8.362 8.362 7.367 0.995 19666
1187 1 4 . 1 1 48 48 PHE N N 48 117.363 117.363 120.797 -3.434 19666
1188 1 4 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.341 0.329 19666
1189 1 4 . 1 1 48 48 PHE C C 48 175.325 175.325 175.885 -0.560 19666
1190 1 4 . 1 1 48 48 PHE CA C 48 57.687 57.687 59.523 -1.836 19666
1191 1 4 . 1 1 48 48 PHE CB C 48 39.669 39.669 38.853 0.816 19666
1192 1 4 . 1 1 48 48 PHE H H 48 8.316 8.316 8.406 -0.090 19666
1193 1 4 . 1 1 49 49 SER N N 49 114.726 114.726 112.567 2.159 19666
1194 1 4 . 1 1 49 49 SER HA H 49 4.498 4.498 4.799 -0.301 19666
1195 1 4 . 1 1 49 49 SER C C 49 174.190 174.190 172.965 1.225 19666
1196 1 4 . 1 1 49 49 SER CA C 49 58.441 58.441 57.268 1.173 19666
1197 1 4 . 1 1 49 49 SER CB C 49 64.234 64.234 65.530 -1.296 19666
1198 1 4 . 1 1 49 49 SER H H 49 7.831 7.831 7.759 0.072 19666
1199 1 4 . 1 1 50 50 SER N N 50 117.363 117.363 115.726 1.637 19666
1200 1 4 . 1 1 50 50 SER HA H 50 4.682 4.682 4.744 -0.062 19666
1201 1 4 . 1 1 50 50 SER C C 50 173.200 173.200 173.004 0.196 19666
1202 1 4 . 1 1 50 50 SER CA C 50 58.394 58.394 57.535 0.859 19666
1203 1 4 . 1 1 50 50 SER CB C 50 64.843 64.843 65.179 -0.336 19666
1204 1 4 . 1 1 50 50 SER H H 50 8.396 8.396 8.229 0.167 19666
1205 1 4 . 1 1 51 51 LYS N N 51 122.812 122.812 122.199 0.613 19666
1206 1 4 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.563 -0.035 19666
1207 1 4 . 1 1 51 51 LYS C C 51 175.239 175.239 176.111 -0.872 19666
1208 1 4 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.136 0.623 19666
1209 1 4 . 1 1 51 51 LYS CB C 51 34.450 34.450 34.604 -0.154 19666
1210 1 4 . 1 1 51 51 LYS H H 51 8.453 8.453 8.126 0.327 19666
1211 1 4 . 1 1 52 52 CYS N N 52 124.922 124.922 121.144 3.778 19666
1212 1 4 . 1 1 52 52 CYS HA H 52 5.525 5.525 4.949 0.576 19666
1213 1 4 . 1 1 52 52 CYS C C 52 174.345 174.345 174.712 -0.367 19666
1214 1 4 . 1 1 52 52 CYS CA C 52 55.786 55.786 58.666 -2.880 19666
1215 1 4 . 1 1 52 52 CYS CB C 52 47.500 47.500 25.672 21.828 19666
1216 1 4 . 1 1 52 52 CYS H H 52 8.828 8.828 8.922 -0.094 19666
1217 1 4 . 1 1 53 53 VAL N N 53 117.187 117.187 119.418 -2.231 19666
1218 1 4 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.605 0.406 19666
1219 1 4 . 1 1 53 53 VAL C C 53 176.396 176.396 174.793 1.603 19666
1220 1 4 . 1 1 53 53 VAL CA C 53 59.190 59.190 60.151 -0.961 19666
1221 1 4 . 1 1 53 53 VAL CB C 53 37.293 37.293 35.071 2.222 19666
1222 1 4 . 1 1 53 53 VAL H H 53 8.625 8.625 8.480 0.145 19666
1223 1 4 . 1 1 54 54 CYS N N 54 120.703 120.703 124.579 -3.876 19666
1224 1 4 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.440 0.572 19666
1225 1 4 . 1 1 54 54 CYS C C 54 175.637 175.637 174.581 1.056 19666
1226 1 4 . 1 1 54 54 CYS CA C 54 55.432 55.432 60.646 -5.214 19666
1227 1 4 . 1 1 54 54 CYS CB C 54 40.268 40.268 24.645 15.623 19666
1228 1 4 . 1 1 54 54 CYS H H 54 8.072 8.072 8.476 -0.404 19666
1229 1 4 . 1 1 55 55 ARG N N 55 124.922 124.922 125.246 -0.324 19666
1230 1 4 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.978 -0.125 19666
1231 1 4 . 1 1 55 55 ARG C C 55 174.029 174.029 174.715 -0.686 19666
1232 1 4 . 1 1 55 55 ARG CA C 55 53.194 53.194 53.420 -0.226 19666
1233 1 4 . 1 1 55 55 ARG CB C 55 35.049 35.049 34.135 0.914 19666
1234 1 4 . 1 1 55 55 ARG H H 55 9.378 9.378 8.849 0.529 19666
1235 1 4 . 1 1 56 56 ASP N N 56 117.011 117.011 121.543 -4.532 19666
1236 1 4 . 1 1 56 56 ASP HA H 56 5.244 5.244 4.904 0.340 19666
1237 1 4 . 1 1 56 56 ASP C C 56 175.192 175.192 175.748 -0.556 19666
1238 1 4 . 1 1 56 56 ASP CA C 56 53.525 53.525 54.290 -0.765 19666
1239 1 4 . 1 1 56 56 ASP CB C 56 39.655 39.655 41.084 -1.429 19666
1240 1 4 . 1 1 56 56 ASP H H 56 9.693 9.693 8.680 1.013 19666
1241 1 5 . 1 1 2 2 ALA N N 2 124.746 124.746 125.998 -1.252 19666
1242 1 5 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.269 -0.042 19666
1243 1 5 . 1 1 2 2 ALA C C 2 176.106 176.106 176.194 -0.088 19666
1244 1 5 . 1 1 2 2 ALA CA C 2 52.504 52.504 51.909 0.595 19666
1245 1 5 . 1 1 2 2 ALA CB C 2 19.016 19.016 19.061 -0.045 19666
1246 1 5 . 1 1 2 2 ALA H H 2 8.421 8.421 8.108 0.313 19666
1247 1 5 . 1 1 3 3 LYS N N 3 120.527 120.527 118.615 1.912 19666
1248 1 5 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.408 -0.072 19666
1249 1 5 . 1 1 3 3 LYS C C 3 175.343 175.343 174.472 0.871 19666
1250 1 5 . 1 1 3 3 LYS CA C 3 54.848 54.848 54.691 0.158 19666
1251 1 5 . 1 1 3 3 LYS CB C 3 34.392 34.392 34.330 0.062 19666
1252 1 5 . 1 1 3 3 LYS H H 3 8.275 8.275 7.903 0.372 19666
1253 1 5 . 1 1 4 4 ASP N N 4 120.351 120.351 120.835 -0.484 19666
1254 1 5 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.375 0.002 19666
1255 1 5 . 1 1 4 4 ASP C C 4 177.084 177.084 177.556 -0.472 19666
1256 1 5 . 1 1 4 4 ASP CA C 4 55.908 55.908 55.814 0.094 19666
1257 1 5 . 1 1 4 4 ASP CB C 4 41.206 41.206 40.425 0.781 19666
1258 1 5 . 1 1 4 4 ASP H H 4 8.288 8.288 8.391 -0.103 19666
1259 1 5 . 1 1 5 5 GLY N N 5 113.320 113.320 114.622 -1.302 19666
1260 1 5 . 1 1 5 5 GLY C C 5 174.205 174.205 173.491 0.714 19666
1261 1 5 . 1 1 5 5 GLY CA C 5 45.496 45.496 44.839 0.657 19666
1262 1 5 . 1 1 5 5 GLY H H 5 8.823 8.823 8.879 -0.056 19666
1263 1 5 . 1 1 6 6 ASP N N 6 121.054 121.054 121.502 -0.448 19666
1264 1 5 . 1 1 6 6 ASP HA H 6 4.641 4.641 5.326 -0.685 19666
1265 1 5 . 1 1 6 6 ASP C C 6 175.139 175.139 175.119 0.020 19666
1266 1 5 . 1 1 6 6 ASP CA C 6 55.022 55.022 53.604 1.418 19666
1267 1 5 . 1 1 6 6 ASP CB C 6 41.095 41.095 42.901 -1.806 19666
1268 1 5 . 1 1 6 6 ASP H H 6 8.291 8.291 7.649 0.642 19666
1269 1 5 . 1 1 7 7 VAL N N 7 110.156 110.156 117.612 -7.456 19666
1270 1 5 . 1 1 7 7 VAL HA H 7 5.505 5.505 5.018 0.487 19666
1271 1 5 . 1 1 7 7 VAL C C 7 175.917 175.917 174.353 1.564 19666
1272 1 5 . 1 1 7 7 VAL CA C 7 59.486 59.486 59.160 0.326 19666
1273 1 5 . 1 1 7 7 VAL CB C 7 37.503 37.503 35.405 2.098 19666
1274 1 5 . 1 1 7 7 VAL H H 7 8.242 8.242 8.395 -0.153 19666
1275 1 5 . 1 1 8 8 GLU N N 8 119.824 119.824 120.889 -1.065 19666
1276 1 5 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.628 0.080 19666
1277 1 5 . 1 1 8 8 GLU C C 8 175.138 175.138 175.503 -0.365 19666
1278 1 5 . 1 1 8 8 GLU CA C 8 55.018 55.018 54.995 0.023 19666
1279 1 5 . 1 1 8 8 GLU CB C 8 32.660 32.660 32.714 -0.054 19666
1280 1 5 . 1 1 8 8 GLU H H 8 8.428 8.428 8.942 -0.514 19666
1281 1 5 . 1 1 9 9 GLY N N 9 112.265 112.265 112.264 0.001 19666
1282 1 5 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.364 0.323 19666
1283 1 5 . 1 1 9 9 GLY H H 9 8.498 8.498 8.149 0.349 19666
1284 1 5 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.505 -0.052 19666
1285 1 5 . 1 1 10 10 PRO C C 10 175.902 175.902 176.839 -0.937 19666
1286 1 5 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.810 -0.554 19666
1287 1 5 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.174 0.138 19666
1288 1 5 . 1 1 11 11 ALA N N 11 123.340 123.340 125.215 -1.875 19666
1289 1 5 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.113 0.048 19666
1290 1 5 . 1 1 11 11 ALA C C 11 179.442 179.442 178.252 1.190 19666
1291 1 5 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.254 0.412 19666
1292 1 5 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.645 -0.743 19666
1293 1 5 . 1 1 11 11 ALA H H 11 8.424 8.424 8.446 -0.022 19666
1294 1 5 . 1 1 12 12 GLY N N 12 111.386 111.386 111.908 -0.522 19666
1295 1 5 . 1 1 12 12 GLY C C 12 174.908 174.908 174.897 0.011 19666
1296 1 5 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.491 0.664 19666
1297 1 5 . 1 1 12 12 GLY H H 12 8.795 8.795 8.504 0.291 19666
1298 1 5 . 1 1 13 13 CYS N N 13 118.593 118.593 117.495 1.098 19666
1299 1 5 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.643 -0.068 19666
1300 1 5 . 1 1 13 13 CYS C C 13 173.390 173.390 174.799 -1.409 19666
1301 1 5 . 1 1 13 13 CYS CA C 13 55.412 55.412 57.614 -2.202 19666
1302 1 5 . 1 1 13 13 CYS CB C 13 40.858 40.858 28.105 12.753 19666
1303 1 5 . 1 1 13 13 CYS H H 13 8.051 8.051 7.783 0.268 19666
1304 1 5 . 1 1 14 14 LYS N N 14 120.527 120.527 121.263 -0.736 19666
1305 1 5 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.363 0.050 19666
1306 1 5 . 1 1 14 14 LYS C C 14 174.523 174.523 175.876 -1.353 19666
1307 1 5 . 1 1 14 14 LYS CA C 14 56.695 56.695 56.063 0.632 19666
1308 1 5 . 1 1 14 14 LYS CB C 14 34.840 34.840 33.651 1.188 19666
1309 1 5 . 1 1 14 14 LYS H H 14 8.661 8.661 8.318 0.343 19666
1310 1 5 . 1 1 15 15 LYS N N 15 120.000 120.000 118.983 1.017 19666
1311 1 5 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.659 -0.614 19666
1312 1 5 . 1 1 15 15 LYS C C 15 174.446 174.446 175.312 -0.866 19666
1313 1 5 . 1 1 15 15 LYS CA C 15 55.806 55.806 54.566 1.240 19666
1314 1 5 . 1 1 15 15 LYS CB C 15 34.975 34.975 36.053 -1.078 19666
1315 1 5 . 1 1 15 15 LYS H H 15 7.335 7.335 8.332 -0.997 19666
1316 1 5 . 1 1 16 16 TYR N N 16 118.242 118.242 121.714 -3.472 19666
1317 1 5 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.118 -0.509 19666
1318 1 5 . 1 1 16 16 TYR C C 16 176.146 176.146 176.318 -0.172 19666
1319 1 5 . 1 1 16 16 TYR CA C 16 59.985 59.985 61.069 -1.084 19666
1320 1 5 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.919 0.263 19666
1321 1 5 . 1 1 16 16 TYR H H 16 9.183 9.183 8.121 1.062 19666
1322 1 5 . 1 1 17 17 ASP N N 17 123.164 123.164 121.902 1.262 19666
1323 1 5 . 1 1 17 17 ASP HA H 17 4.089 4.089 3.912 0.177 19666
1324 1 5 . 1 1 17 17 ASP C C 17 174.793 174.793 174.093 0.700 19666
1325 1 5 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.456 -0.074 19666
1326 1 5 . 1 1 17 17 ASP CB C 17 39.934 39.934 39.597 0.337 19666
1327 1 5 . 1 1 17 17 ASP H H 17 9.185 9.185 7.769 1.416 19666
1328 1 5 . 1 1 18 18 VAL N N 18 121.230 121.230 115.305 5.925 19666
1329 1 5 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.232 -0.263 19666
1330 1 5 . 1 1 18 18 VAL C C 18 175.615 175.615 174.508 1.107 19666
1331 1 5 . 1 1 18 18 VAL CA C 18 62.527 62.527 60.121 2.406 19666
1332 1 5 . 1 1 18 18 VAL CB C 18 31.705 31.705 36.225 -4.520 19666
1333 1 5 . 1 1 18 18 VAL H H 18 7.873 7.873 7.298 0.575 19666
1334 1 5 . 1 1 19 19 GLU N N 19 126.328 126.328 125.102 1.226 19666
1335 1 5 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.305 0.546 19666
1336 1 5 . 1 1 19 19 GLU C C 19 175.883 175.883 175.814 0.069 19666
1337 1 5 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.411 0.016 19666
1338 1 5 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.842 -1.299 19666
1339 1 5 . 1 1 19 19 GLU H H 19 8.437 8.437 8.606 -0.169 19666
1340 1 5 . 1 1 20 20 CYS N N 20 117.715 117.715 119.435 -1.720 19666
1341 1 5 . 1 1 20 20 CYS HA H 20 4.920 4.920 4.952 -0.032 19666
1342 1 5 . 1 1 20 20 CYS C C 20 172.746 172.746 173.756 -1.010 19666
1343 1 5 . 1 1 20 20 CYS CA C 20 53.849 53.849 56.177 -2.328 19666
1344 1 5 . 1 1 20 20 CYS CB C 20 45.604 45.604 30.694 14.910 19666
1345 1 5 . 1 1 20 20 CYS H H 20 8.357 8.357 8.190 0.167 19666
1346 1 5 . 1 1 21 21 ASP N N 21 119.297 119.297 121.113 -1.816 19666
1347 1 5 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.880 -0.100 19666
1348 1 5 . 1 1 21 21 ASP C C 21 175.903 175.903 176.711 -0.808 19666
1349 1 5 . 1 1 21 21 ASP CA C 21 53.839 53.839 54.497 -0.658 19666
1350 1 5 . 1 1 21 21 ASP H H 21 8.077 8.077 8.641 -0.564 19666
1351 1 5 . 1 1 22 22 SER N N 22 113.751 113.751 118.403 -4.652 19666
1352 1 5 . 1 1 22 22 SER HA H 22 4.066 4.066 4.111 -0.045 19666
1353 1 5 . 1 1 22 22 SER C C 22 175.610 175.610 174.459 1.151 19666
1354 1 5 . 1 1 22 22 SER CA C 22 59.986 59.986 58.952 1.034 19666
1355 1 5 . 1 1 22 22 SER CB C 22 63.377 63.377 62.672 0.705 19666
1356 1 5 . 1 1 22 22 SER H H 22 8.477 8.477 9.010 -0.533 19666
1357 1 5 . 1 1 23 23 GLY N N 23 112.441 112.441 106.191 6.250 19666
1358 1 5 . 1 1 23 23 GLY C C 23 175.341 175.341 174.220 1.121 19666
1359 1 5 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.828 -0.203 19666
1360 1 5 . 1 1 23 23 GLY H H 23 8.666 8.666 8.362 0.304 19666
1361 1 5 . 1 1 24 24 GLU N N 24 115.429 115.429 119.688 -4.259 19666
1362 1 5 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.633 -0.313 19666
1363 1 5 . 1 1 24 24 GLU CA C 24 56.875 56.875 55.757 1.118 19666
1364 1 5 . 1 1 24 24 GLU CB C 24 32.969 32.969 31.302 1.667 19666
1365 1 5 . 1 1 24 24 GLU H H 24 7.852 7.852 7.811 0.041 19666
1366 1 5 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.726 0.154 19666
1367 1 5 . 1 1 25 25 CYS C C 25 175.605 175.605 174.857 0.748 19666
1368 1 5 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.440 -2.022 19666
1369 1 5 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.783 11.224 19666
1370 1 5 . 1 1 26 26 CYS N N 26 122.988 122.988 121.047 1.941 19666
1371 1 5 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.361 0.208 19666
1372 1 5 . 1 1 26 26 CYS C C 26 172.335 172.335 176.541 -4.206 19666
1373 1 5 . 1 1 26 26 CYS CA C 26 55.441 55.441 60.124 -4.683 19666
1374 1 5 . 1 1 26 26 CYS CB C 26 38.977 38.977 28.670 10.307 19666
1375 1 5 . 1 1 26 26 CYS H H 26 9.987 9.987 8.697 1.290 19666
1376 1 5 . 1 1 27 27 GLN N N 27 119.472 119.472 119.916 -0.444 19666
1377 1 5 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.069 0.087 19666
1378 1 5 . 1 1 27 27 GLN C C 27 178.958 178.958 176.945 2.013 19666
1379 1 5 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.225 1.171 19666
1380 1 5 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.196 -0.062 19666
1381 1 5 . 1 1 27 27 GLN H H 27 8.129 8.129 8.385 -0.256 19666
1382 1 5 . 1 1 28 28 LYS N N 28 111.211 111.211 114.624 -3.413 19666
1383 1 5 . 1 1 28 28 LYS HA H 28 5.398 5.398 4.876 0.522 19666
1384 1 5 . 1 1 28 28 LYS C C 28 174.506 174.506 174.559 -0.053 19666
1385 1 5 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.682 -0.965 19666
1386 1 5 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.390 2.832 19666
1387 1 5 . 1 1 28 28 LYS H H 28 7.945 7.945 7.505 0.440 19666
1388 1 5 . 1 1 29 29 GLN N N 29 120.527 120.527 118.793 1.734 19666
1389 1 5 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.046 0.227 19666
1390 1 5 . 1 1 29 29 GLN C C 29 173.392 173.392 173.741 -0.349 19666
1391 1 5 . 1 1 29 29 GLN CA C 29 54.499 54.499 55.023 -0.524 19666
1392 1 5 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.683 -0.690 19666
1393 1 5 . 1 1 29 29 GLN H H 29 9.096 9.096 9.143 -0.047 19666
1394 1 5 . 1 1 30 30 TYR N N 30 130.371 130.371 125.517 4.854 19666
1395 1 5 . 1 1 30 30 TYR HA H 30 3.824 3.824 4.289 -0.465 19666
1396 1 5 . 1 1 30 30 TYR C C 30 173.213 173.213 173.498 -0.285 19666
1397 1 5 . 1 1 30 30 TYR CA C 30 58.018 58.018 56.978 1.040 19666
1398 1 5 . 1 1 30 30 TYR CB C 30 35.574 35.574 37.631 -2.057 19666
1399 1 5 . 1 1 30 30 TYR H H 30 8.378 8.378 8.302 0.076 19666
1400 1 5 . 1 1 31 31 LEU N N 31 132.129 132.129 124.776 7.353 19666
1401 1 5 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.491 -0.636 19666
1402 1 5 . 1 1 31 31 LEU C C 31 174.716 174.716 176.311 -1.595 19666
1403 1 5 . 1 1 31 31 LEU CA C 31 52.890 52.890 53.733 -0.843 19666
1404 1 5 . 1 1 31 31 LEU CB C 31 46.322 46.322 45.092 1.230 19666
1405 1 5 . 1 1 31 31 LEU H H 31 8.015 8.015 8.442 -0.427 19666
1406 1 5 . 1 1 32 32 TRP N N 32 126.855 126.855 121.355 5.500 19666
1407 1 5 . 1 1 32 32 TRP HA H 32 3.674 3.674 4.265 -0.591 19666
1408 1 5 . 1 1 32 32 TRP C C 32 176.444 176.444 175.885 0.559 19666
1409 1 5 . 1 1 32 32 TRP CA C 32 57.808 57.808 57.388 0.420 19666
1410 1 5 . 1 1 32 32 TRP CB C 32 24.551 24.551 27.075 -2.524 19666
1411 1 5 . 1 1 32 32 TRP H H 32 8.835 8.835 8.698 0.137 19666
1412 1 5 . 1 1 33 33 TYR N N 33 109.453 109.453 113.389 -3.936 19666
1413 1 5 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.417 0.024 19666
1414 1 5 . 1 1 33 33 TYR C C 33 173.802 173.802 175.134 -1.332 19666
1415 1 5 . 1 1 33 33 TYR CA C 33 59.804 59.804 58.679 1.125 19666
1416 1 5 . 1 1 33 33 TYR CB C 33 35.213 35.213 36.761 -1.548 19666
1417 1 5 . 1 1 33 33 TYR H H 33 8.021 8.021 8.010 0.011 19666
1418 1 5 . 1 1 34 34 LYS N N 34 116.660 116.660 117.865 -1.205 19666
1419 1 5 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.634 -0.219 19666
1420 1 5 . 1 1 34 34 LYS C C 34 174.545 174.545 174.027 0.518 19666
1421 1 5 . 1 1 34 34 LYS CA C 34 55.268 55.268 54.896 0.372 19666
1422 1 5 . 1 1 34 34 LYS CB C 34 37.142 37.142 35.828 1.314 19666
1423 1 5 . 1 1 34 34 LYS H H 34 6.799 6.799 6.873 -0.074 19666
1424 1 5 . 1 1 35 35 TRP N N 35 122.637 122.637 124.061 -1.424 19666
1425 1 5 . 1 1 35 35 TRP HA H 35 4.565 4.565 5.334 -0.769 19666
1426 1 5 . 1 1 35 35 TRP C C 35 176.720 176.720 176.899 -0.179 19666
1427 1 5 . 1 1 35 35 TRP CA C 35 58.264 58.264 57.113 1.151 19666
1428 1 5 . 1 1 35 35 TRP CB C 35 29.346 29.346 29.760 -0.414 19666
1429 1 5 . 1 1 35 35 TRP H H 35 8.786 8.786 8.751 0.035 19666
1430 1 5 . 1 1 36 36 ARG N N 36 125.976 125.976 124.849 1.127 19666
1431 1 5 . 1 1 36 36 ARG HA H 36 5.133 5.133 5.008 0.125 19666
1432 1 5 . 1 1 36 36 ARG CA C 36 53.125 53.125 53.145 -0.021 19666
1433 1 5 . 1 1 36 36 ARG CB C 36 31.094 31.094 31.468 -0.374 19666
1434 1 5 . 1 1 36 36 ARG H H 36 9.128 9.128 9.020 0.108 19666
1435 1 5 . 1 1 37 37 PRO HA H 37 5.364 5.364 4.578 0.786 19666
1436 1 5 . 1 1 37 37 PRO C C 37 175.961 175.961 176.276 -0.315 19666
1437 1 5 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.506 -0.486 19666
1438 1 5 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.606 -0.457 19666
1439 1 5 . 1 1 38 38 LEU N N 38 116.660 116.660 117.865 -1.205 19666
1440 1 5 . 1 1 38 38 LEU HA H 38 5.613 5.613 5.316 0.297 19666
1441 1 5 . 1 1 38 38 LEU C C 38 177.828 177.828 175.970 1.858 19666
1442 1 5 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.544 -1.056 19666
1443 1 5 . 1 1 38 38 LEU CB C 38 45.969 45.969 46.465 -0.496 19666
1444 1 5 . 1 1 38 38 LEU H H 38 7.047 7.047 8.412 -1.365 19666
1445 1 5 . 1 1 39 39 ASP N N 39 117.187 117.187 119.321 -2.134 19666
1446 1 5 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.846 -0.181 19666
1447 1 5 . 1 1 39 39 ASP C C 39 173.855 173.855 175.200 -1.345 19666
1448 1 5 . 1 1 39 39 ASP CA C 39 53.115 53.115 53.804 -0.689 19666
1449 1 5 . 1 1 39 39 ASP CB C 39 44.870 44.870 43.847 1.023 19666
1450 1 5 . 1 1 39 39 ASP H H 39 9.136 9.136 8.264 0.872 19666
1451 1 5 . 1 1 40 40 CYS N N 40 122.812 122.812 124.512 -1.700 19666
1452 1 5 . 1 1 40 40 CYS HA H 40 4.645 4.645 4.629 0.016 19666
1453 1 5 . 1 1 40 40 CYS C C 40 173.638 173.638 174.812 -1.174 19666
1454 1 5 . 1 1 40 40 CYS CA C 40 56.149 56.149 59.831 -3.682 19666
1455 1 5 . 1 1 40 40 CYS CB C 40 38.887 38.887 25.192 13.695 19666
1456 1 5 . 1 1 40 40 CYS H H 40 8.704 8.704 8.676 0.028 19666
1457 1 5 . 1 1 41 41 ARG N N 41 131.953 131.953 126.474 5.479 19666
1458 1 5 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.669 0.017 19666
1459 1 5 . 1 1 41 41 ARG C C 41 175.082 175.082 174.960 0.122 19666
1460 1 5 . 1 1 41 41 ARG CA C 41 54.050 54.050 54.143 -0.093 19666
1461 1 5 . 1 1 41 41 ARG CB C 41 32.462 32.462 34.092 -1.630 19666
1462 1 5 . 1 1 41 41 ARG H H 41 8.742 8.742 8.794 -0.052 19666
1463 1 5 . 1 1 42 42 CYS N N 42 123.340 123.340 121.371 1.969 19666
1464 1 5 . 1 1 42 42 CYS HA H 42 5.216 5.216 4.768 0.448 19666
1465 1 5 . 1 1 42 42 CYS C C 42 174.439 174.439 174.650 -0.211 19666
1466 1 5 . 1 1 42 42 CYS CA C 42 55.531 55.531 57.959 -2.429 19666
1467 1 5 . 1 1 42 42 CYS CB C 42 44.384 44.384 25.914 18.470 19666
1468 1 5 . 1 1 42 42 CYS H H 42 8.945 8.945 8.690 0.255 19666
1469 1 5 . 1 1 43 43 LEU N N 43 125.976 125.976 126.317 -0.341 19666
1470 1 5 . 1 1 43 43 LEU HA H 43 4.544 4.544 4.880 -0.336 19666
1471 1 5 . 1 1 43 43 LEU C C 43 176.723 176.723 174.600 2.123 19666
1472 1 5 . 1 1 43 43 LEU CA C 43 54.458 54.458 53.740 0.717 19666
1473 1 5 . 1 1 43 43 LEU CB C 43 43.516 43.516 44.461 -0.945 19666
1474 1 5 . 1 1 43 43 LEU H H 43 8.722 8.722 8.220 0.502 19666
1475 1 5 . 1 1 44 44 LYS N N 44 122.285 122.285 118.563 3.722 19666
1476 1 5 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.851 -0.330 19666
1477 1 5 . 1 1 44 44 LYS C C 44 176.254 176.254 175.415 0.839 19666
1478 1 5 . 1 1 44 44 LYS CA C 44 56.395 56.395 55.755 0.640 19666
1479 1 5 . 1 1 44 44 LYS CB C 44 33.171 33.171 34.635 -1.464 19666
1480 1 5 . 1 1 44 44 LYS H H 44 8.577 8.577 8.194 0.383 19666
1481 1 5 . 1 1 45 45 SER N N 45 117.715 117.715 118.227 -0.512 19666
1482 1 5 . 1 1 45 45 SER HA H 45 4.562 4.562 4.371 0.191 19666
1483 1 5 . 1 1 45 45 SER C C 45 174.264 174.264 174.454 -0.190 19666
1484 1 5 . 1 1 45 45 SER CA C 45 57.318 57.318 56.745 0.573 19666
1485 1 5 . 1 1 45 45 SER CB C 45 64.221 64.221 62.479 1.742 19666
1486 1 5 . 1 1 45 45 SER H H 45 8.254 8.254 8.890 -0.636 19666
1487 1 5 . 1 1 46 46 GLY N N 46 111.386 111.386 111.819 -0.433 19666
1488 1 5 . 1 1 46 46 GLY C C 46 174.068 174.068 174.233 -0.165 19666
1489 1 5 . 1 1 46 46 GLY CA C 46 45.310 45.310 45.813 -0.503 19666
1490 1 5 . 1 1 46 46 GLY H H 46 8.405 8.405 8.168 0.237 19666
1491 1 5 . 1 1 47 47 PHE N N 47 120.703 120.703 116.960 3.743 19666
1492 1 5 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.532 -0.168 19666
1493 1 5 . 1 1 47 47 PHE C C 47 176.313 176.313 176.045 0.268 19666
1494 1 5 . 1 1 47 47 PHE CA C 47 58.892 58.892 56.239 2.653 19666
1495 1 5 . 1 1 47 47 PHE CB C 47 39.249 39.249 40.176 -0.927 19666
1496 1 5 . 1 1 47 47 PHE H H 47 8.362 8.362 7.332 1.030 19666
1497 1 5 . 1 1 48 48 PHE N N 48 117.363 117.363 120.152 -2.789 19666
1498 1 5 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.584 0.086 19666
1499 1 5 . 1 1 48 48 PHE C C 48 175.325 175.325 176.206 -0.881 19666
1500 1 5 . 1 1 48 48 PHE CA C 48 57.687 57.687 59.808 -2.121 19666
1501 1 5 . 1 1 48 48 PHE CB C 48 39.669 39.669 39.652 0.017 19666
1502 1 5 . 1 1 48 48 PHE H H 48 8.316 8.316 8.716 -0.400 19666
1503 1 5 . 1 1 49 49 SER N N 49 114.726 114.726 116.427 -1.701 19666
1504 1 5 . 1 1 49 49 SER HA H 49 4.498 4.498 4.747 -0.249 19666
1505 1 5 . 1 1 49 49 SER C C 49 174.190 174.190 173.265 0.925 19666
1506 1 5 . 1 1 49 49 SER CA C 49 58.441 58.441 57.468 0.973 19666
1507 1 5 . 1 1 49 49 SER CB C 49 64.234 64.234 64.046 0.188 19666
1508 1 5 . 1 1 49 49 SER H H 49 7.831 7.831 8.017 -0.186 19666
1509 1 5 . 1 1 50 50 SER N N 50 117.363 117.363 120.951 -3.588 19666
1510 1 5 . 1 1 50 50 SER HA H 50 4.682 4.682 4.588 0.094 19666
1511 1 5 . 1 1 50 50 SER C C 50 173.200 173.200 174.337 -1.137 19666
1512 1 5 . 1 1 50 50 SER CA C 50 58.394 58.394 58.460 -0.066 19666
1513 1 5 . 1 1 50 50 SER CB C 50 64.843 64.843 64.339 0.504 19666
1514 1 5 . 1 1 50 50 SER H H 50 8.396 8.396 8.610 -0.214 19666
1515 1 5 . 1 1 51 51 LYS N N 51 122.812 122.812 126.220 -3.408 19666
1516 1 5 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.628 -0.100 19666
1517 1 5 . 1 1 51 51 LYS C C 51 175.239 175.239 175.374 -0.135 19666
1518 1 5 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.626 0.133 19666
1519 1 5 . 1 1 51 51 LYS CB C 51 34.450 34.450 35.005 -0.555 19666
1520 1 5 . 1 1 51 51 LYS H H 51 8.453 8.453 8.488 -0.035 19666
1521 1 5 . 1 1 52 52 CYS N N 52 124.922 124.922 122.602 2.320 19666
1522 1 5 . 1 1 52 52 CYS HA H 52 5.525 5.525 5.377 0.148 19666
1523 1 5 . 1 1 52 52 CYS C C 52 174.345 174.345 174.292 0.053 19666
1524 1 5 . 1 1 52 52 CYS CA C 52 55.786 55.786 57.889 -2.103 19666
1525 1 5 . 1 1 52 52 CYS CB C 52 47.500 47.500 26.315 21.185 19666
1526 1 5 . 1 1 52 52 CYS H H 52 8.828 8.828 8.804 0.024 19666
1527 1 5 . 1 1 53 53 VAL N N 53 117.187 117.187 118.898 -1.711 19666
1528 1 5 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.609 0.402 19666
1529 1 5 . 1 1 53 53 VAL C C 53 176.396 176.396 174.465 1.931 19666
1530 1 5 . 1 1 53 53 VAL CA C 53 59.190 59.190 58.450 0.740 19666
1531 1 5 . 1 1 53 53 VAL CB C 53 37.293 37.293 34.125 3.168 19666
1532 1 5 . 1 1 53 53 VAL H H 53 8.625 8.625 8.622 0.003 19666
1533 1 5 . 1 1 54 54 CYS N N 54 120.703 120.703 121.489 -0.786 19666
1534 1 5 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.516 0.496 19666
1535 1 5 . 1 1 54 54 CYS C C 54 175.637 175.637 174.691 0.946 19666
1536 1 5 . 1 1 54 54 CYS CA C 54 55.432 55.432 60.704 -5.272 19666
1537 1 5 . 1 1 54 54 CYS CB C 54 40.268 40.268 25.462 14.806 19666
1538 1 5 . 1 1 54 54 CYS H H 54 8.072 8.072 8.437 -0.365 19666
1539 1 5 . 1 1 55 55 ARG N N 55 124.922 124.922 122.448 2.474 19666
1540 1 5 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.766 0.087 19666
1541 1 5 . 1 1 55 55 ARG C C 55 174.029 174.029 174.124 -0.095 19666
1542 1 5 . 1 1 55 55 ARG CA C 55 53.194 53.194 53.681 -0.487 19666
1543 1 5 . 1 1 55 55 ARG CB C 55 35.049 35.049 34.425 0.625 19666
1544 1 5 . 1 1 55 55 ARG H H 55 9.378 9.378 8.753 0.625 19666
1545 1 5 . 1 1 56 56 ASP N N 56 117.011 117.011 120.350 -3.339 19666
1546 1 5 . 1 1 56 56 ASP HA H 56 5.244 5.244 4.929 0.315 19666
1547 1 5 . 1 1 56 56 ASP C C 56 175.192 175.192 176.116 -0.924 19666
1548 1 5 . 1 1 56 56 ASP CA C 56 53.525 53.525 53.929 -0.404 19666
1549 1 5 . 1 1 56 56 ASP CB C 56 39.655 39.655 41.081 -1.427 19666
1550 1 5 . 1 1 56 56 ASP H H 56 9.693 9.693 8.710 0.983 19666
1551 1 6 . 1 1 2 2 ALA N N 2 124.746 124.746 123.797 0.949 19666
1552 1 6 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.432 -0.205 19666
1553 1 6 . 1 1 2 2 ALA C C 2 176.106 176.106 177.504 -1.398 19666
1554 1 6 . 1 1 2 2 ALA CA C 2 52.504 52.504 50.913 1.591 19666
1555 1 6 . 1 1 2 2 ALA CB C 2 19.016 19.016 19.499 -0.483 19666
1556 1 6 . 1 1 2 2 ALA H H 2 8.421 8.421 8.259 0.162 19666
1557 1 6 . 1 1 3 3 LYS N N 3 120.527 120.527 118.611 1.916 19666
1558 1 6 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.697 -0.361 19666
1559 1 6 . 1 1 3 3 LYS C C 3 175.343 175.343 174.945 0.398 19666
1560 1 6 . 1 1 3 3 LYS CA C 3 54.848 54.848 54.556 0.292 19666
1561 1 6 . 1 1 3 3 LYS CB C 3 34.392 34.392 34.284 0.108 19666
1562 1 6 . 1 1 3 3 LYS H H 3 8.275 8.275 8.368 -0.093 19666
1563 1 6 . 1 1 4 4 ASP N N 4 120.351 120.351 119.679 0.672 19666
1564 1 6 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.435 -0.058 19666
1565 1 6 . 1 1 4 4 ASP C C 4 177.084 177.084 177.759 -0.675 19666
1566 1 6 . 1 1 4 4 ASP CA C 4 55.908 55.908 55.805 0.103 19666
1567 1 6 . 1 1 4 4 ASP CB C 4 41.206 41.206 40.789 0.417 19666
1568 1 6 . 1 1 4 4 ASP H H 4 8.288 8.288 8.343 -0.055 19666
1569 1 6 . 1 1 5 5 GLY N N 5 113.320 113.320 114.877 -1.557 19666
1570 1 6 . 1 1 5 5 GLY C C 5 174.205 174.205 173.744 0.461 19666
1571 1 6 . 1 1 5 5 GLY CA C 5 45.496 45.496 44.844 0.652 19666
1572 1 6 . 1 1 5 5 GLY H H 5 8.823 8.823 8.888 -0.065 19666
1573 1 6 . 1 1 6 6 ASP N N 6 121.054 121.054 121.396 -0.342 19666
1574 1 6 . 1 1 6 6 ASP HA H 6 4.641 4.641 5.149 -0.508 19666
1575 1 6 . 1 1 6 6 ASP C C 6 175.139 175.139 175.267 -0.128 19666
1576 1 6 . 1 1 6 6 ASP CA C 6 55.022 55.022 53.639 1.383 19666
1577 1 6 . 1 1 6 6 ASP CB C 6 41.095 41.095 42.700 -1.605 19666
1578 1 6 . 1 1 6 6 ASP H H 6 8.291 8.291 7.777 0.514 19666
1579 1 6 . 1 1 7 7 VAL N N 7 110.156 110.156 117.523 -7.367 19666
1580 1 6 . 1 1 7 7 VAL HA H 7 5.505 5.505 5.095 0.410 19666
1581 1 6 . 1 1 7 7 VAL C C 7 175.917 175.917 174.334 1.583 19666
1582 1 6 . 1 1 7 7 VAL CA C 7 59.486 59.486 59.261 0.225 19666
1583 1 6 . 1 1 7 7 VAL CB C 7 37.503 37.503 35.446 2.057 19666
1584 1 6 . 1 1 7 7 VAL H H 7 8.242 8.242 8.443 -0.201 19666
1585 1 6 . 1 1 8 8 GLU N N 8 119.824 119.824 120.784 -0.960 19666
1586 1 6 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.676 0.032 19666
1587 1 6 . 1 1 8 8 GLU C C 8 175.138 175.138 175.849 -0.711 19666
1588 1 6 . 1 1 8 8 GLU CA C 8 55.018 55.018 55.076 -0.058 19666
1589 1 6 . 1 1 8 8 GLU CB C 8 32.660 32.660 33.215 -0.555 19666
1590 1 6 . 1 1 8 8 GLU H H 8 8.428 8.428 8.938 -0.510 19666
1591 1 6 . 1 1 9 9 GLY N N 9 112.265 112.265 110.306 1.959 19666
1592 1 6 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.409 0.278 19666
1593 1 6 . 1 1 9 9 GLY H H 9 8.498 8.498 8.344 0.154 19666
1594 1 6 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.513 -0.060 19666
1595 1 6 . 1 1 10 10 PRO C C 10 175.902 175.902 176.784 -0.882 19666
1596 1 6 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.808 -0.552 19666
1597 1 6 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.236 0.076 19666
1598 1 6 . 1 1 11 11 ALA N N 11 123.340 123.340 124.899 -1.559 19666
1599 1 6 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.119 0.042 19666
1600 1 6 . 1 1 11 11 ALA C C 11 179.442 179.442 178.238 1.204 19666
1601 1 6 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.200 0.466 19666
1602 1 6 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.628 -0.726 19666
1603 1 6 . 1 1 11 11 ALA H H 11 8.424 8.424 8.428 -0.004 19666
1604 1 6 . 1 1 12 12 GLY N N 12 111.386 111.386 111.759 -0.373 19666
1605 1 6 . 1 1 12 12 GLY C C 12 174.908 174.908 174.671 0.237 19666
1606 1 6 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.494 0.661 19666
1607 1 6 . 1 1 12 12 GLY H H 12 8.795 8.795 8.529 0.266 19666
1608 1 6 . 1 1 13 13 CYS N N 13 118.593 118.593 117.686 0.907 19666
1609 1 6 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.607 -0.032 19666
1610 1 6 . 1 1 13 13 CYS C C 13 173.390 173.390 174.373 -0.983 19666
1611 1 6 . 1 1 13 13 CYS CA C 13 55.412 55.412 57.711 -2.299 19666
1612 1 6 . 1 1 13 13 CYS CB C 13 40.858 40.858 28.675 12.183 19666
1613 1 6 . 1 1 13 13 CYS H H 13 8.051 8.051 7.642 0.409 19666
1614 1 6 . 1 1 14 14 LYS N N 14 120.527 120.527 121.612 -1.085 19666
1615 1 6 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.536 -0.123 19666
1616 1 6 . 1 1 14 14 LYS C C 14 174.523 174.523 176.017 -1.494 19666
1617 1 6 . 1 1 14 14 LYS CA C 14 56.695 56.695 55.056 1.639 19666
1618 1 6 . 1 1 14 14 LYS CB C 14 34.840 34.840 32.454 2.386 19666
1619 1 6 . 1 1 14 14 LYS H H 14 8.661 8.661 8.479 0.182 19666
1620 1 6 . 1 1 15 15 LYS N N 15 120.000 120.000 123.938 -3.938 19666
1621 1 6 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.310 -0.265 19666
1622 1 6 . 1 1 15 15 LYS C C 15 174.446 174.446 176.379 -1.933 19666
1623 1 6 . 1 1 15 15 LYS CA C 15 55.806 55.806 56.263 -0.457 19666
1624 1 6 . 1 1 15 15 LYS CB C 15 34.975 34.975 33.214 1.761 19666
1625 1 6 . 1 1 15 15 LYS H H 15 7.335 7.335 8.600 -1.265 19666
1626 1 6 . 1 1 16 16 TYR N N 16 118.242 118.242 120.269 -2.027 19666
1627 1 6 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.155 -0.546 19666
1628 1 6 . 1 1 16 16 TYR C C 16 176.146 176.146 176.239 -0.093 19666
1629 1 6 . 1 1 16 16 TYR CA C 16 59.985 59.985 61.090 -1.105 19666
1630 1 6 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.930 0.252 19666
1631 1 6 . 1 1 16 16 TYR H H 16 9.183 9.183 8.202 0.981 19666
1632 1 6 . 1 1 17 17 ASP N N 17 123.164 123.164 120.909 2.255 19666
1633 1 6 . 1 1 17 17 ASP HA H 17 4.089 4.089 4.074 0.015 19666
1634 1 6 . 1 1 17 17 ASP C C 17 174.793 174.793 174.110 0.683 19666
1635 1 6 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.547 -0.165 19666
1636 1 6 . 1 1 17 17 ASP CB C 17 39.934 39.934 39.516 0.418 19666
1637 1 6 . 1 1 17 17 ASP H H 17 9.185 9.185 7.626 1.559 19666
1638 1 6 . 1 1 18 18 VAL N N 18 121.230 121.230 115.683 5.547 19666
1639 1 6 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.201 -0.232 19666
1640 1 6 . 1 1 18 18 VAL C C 18 175.615 175.615 175.377 0.238 19666
1641 1 6 . 1 1 18 18 VAL CA C 18 62.527 62.527 60.852 1.675 19666
1642 1 6 . 1 1 18 18 VAL CB C 18 31.705 31.705 35.513 -3.808 19666
1643 1 6 . 1 1 18 18 VAL H H 18 7.873 7.873 7.554 0.319 19666
1644 1 6 . 1 1 19 19 GLU N N 19 126.328 126.328 124.169 2.159 19666
1645 1 6 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.232 0.619 19666
1646 1 6 . 1 1 19 19 GLU C C 19 175.883 175.883 175.875 0.008 19666
1647 1 6 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.381 0.046 19666
1648 1 6 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.676 -1.133 19666
1649 1 6 . 1 1 19 19 GLU H H 19 8.437 8.437 8.564 -0.127 19666
1650 1 6 . 1 1 20 20 CYS N N 20 117.715 117.715 117.347 0.368 19666
1651 1 6 . 1 1 20 20 CYS HA H 20 4.920 4.920 4.854 0.066 19666
1652 1 6 . 1 1 20 20 CYS C C 20 172.746 172.746 173.358 -0.612 19666
1653 1 6 . 1 1 20 20 CYS CA C 20 53.849 53.849 56.373 -2.524 19666
1654 1 6 . 1 1 20 20 CYS CB C 20 45.604 45.604 31.030 14.574 19666
1655 1 6 . 1 1 20 20 CYS H H 20 8.357 8.357 8.501 -0.144 19666
1656 1 6 . 1 1 21 21 ASP N N 21 119.297 119.297 121.005 -1.708 19666
1657 1 6 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.849 -0.069 19666
1658 1 6 . 1 1 21 21 ASP C C 21 175.903 175.903 176.918 -1.015 19666
1659 1 6 . 1 1 21 21 ASP CA C 21 53.839 53.839 53.923 -0.084 19666
1660 1 6 . 1 1 21 21 ASP H H 21 8.077 8.077 8.591 -0.514 19666
1661 1 6 . 1 1 22 22 SER N N 22 113.751 113.751 118.343 -4.592 19666
1662 1 6 . 1 1 22 22 SER HA H 22 4.066 4.066 4.109 -0.043 19666
1663 1 6 . 1 1 22 22 SER C C 22 175.610 175.610 174.595 1.015 19666
1664 1 6 . 1 1 22 22 SER CA C 22 59.986 59.986 59.305 0.681 19666
1665 1 6 . 1 1 22 22 SER CB C 22 63.377 63.377 62.586 0.791 19666
1666 1 6 . 1 1 22 22 SER H H 22 8.477 8.477 8.999 -0.522 19666
1667 1 6 . 1 1 23 23 GLY N N 23 112.441 112.441 107.006 5.435 19666
1668 1 6 . 1 1 23 23 GLY C C 23 175.341 175.341 174.034 1.307 19666
1669 1 6 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.905 -0.280 19666
1670 1 6 . 1 1 23 23 GLY H H 23 8.666 8.666 8.323 0.343 19666
1671 1 6 . 1 1 24 24 GLU N N 24 115.429 115.429 119.532 -4.103 19666
1672 1 6 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.548 -0.228 19666
1673 1 6 . 1 1 24 24 GLU CA C 24 56.875 56.875 56.196 0.679 19666
1674 1 6 . 1 1 24 24 GLU CB C 24 32.969 32.969 31.432 1.537 19666
1675 1 6 . 1 1 24 24 GLU H H 24 7.852 7.852 7.844 0.008 19666
1676 1 6 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.726 0.154 19666
1677 1 6 . 1 1 25 25 CYS C C 25 175.605 175.605 175.134 0.471 19666
1678 1 6 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.500 -2.083 19666
1679 1 6 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.714 11.293 19666
1680 1 6 . 1 1 26 26 CYS N N 26 122.988 122.988 121.687 1.301 19666
1681 1 6 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.334 0.235 19666
1682 1 6 . 1 1 26 26 CYS C C 26 172.335 172.335 176.449 -4.114 19666
1683 1 6 . 1 1 26 26 CYS CA C 26 55.441 55.441 60.356 -4.915 19666
1684 1 6 . 1 1 26 26 CYS CB C 26 38.977 38.977 28.576 10.402 19666
1685 1 6 . 1 1 26 26 CYS H H 26 9.987 9.987 8.487 1.500 19666
1686 1 6 . 1 1 27 27 GLN N N 27 119.472 119.472 120.253 -0.781 19666
1687 1 6 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.070 0.086 19666
1688 1 6 . 1 1 27 27 GLN C C 27 178.958 178.958 176.999 1.959 19666
1689 1 6 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.385 1.012 19666
1690 1 6 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.261 -0.127 19666
1691 1 6 . 1 1 27 27 GLN H H 27 8.129 8.129 8.414 -0.285 19666
1692 1 6 . 1 1 28 28 LYS N N 28 111.211 111.211 115.191 -3.980 19666
1693 1 6 . 1 1 28 28 LYS HA H 28 5.398 5.398 4.753 0.645 19666
1694 1 6 . 1 1 28 28 LYS C C 28 174.506 174.506 174.605 -0.099 19666
1695 1 6 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.628 -0.911 19666
1696 1 6 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.332 2.890 19666
1697 1 6 . 1 1 28 28 LYS H H 28 7.945 7.945 7.720 0.225 19666
1698 1 6 . 1 1 29 29 GLN N N 29 120.527 120.527 119.274 1.253 19666
1699 1 6 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.143 0.130 19666
1700 1 6 . 1 1 29 29 GLN C C 29 173.392 173.392 173.862 -0.470 19666
1701 1 6 . 1 1 29 29 GLN CA C 29 54.499 54.499 55.550 -1.051 19666
1702 1 6 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.460 -0.467 19666
1703 1 6 . 1 1 29 29 GLN H H 29 9.096 9.096 8.906 0.190 19666
1704 1 6 . 1 1 30 30 TYR N N 30 130.371 130.371 126.890 3.481 19666
1705 1 6 . 1 1 30 30 TYR HA H 30 3.824 3.824 4.014 -0.190 19666
1706 1 6 . 1 1 30 30 TYR C C 30 173.213 173.213 173.296 -0.083 19666
1707 1 6 . 1 1 30 30 TYR CA C 30 58.018 58.018 58.025 -0.007 19666
1708 1 6 . 1 1 30 30 TYR CB C 30 35.574 35.574 37.774 -2.200 19666
1709 1 6 . 1 1 30 30 TYR H H 30 8.378 8.378 8.583 -0.205 19666
1710 1 6 . 1 1 31 31 LEU N N 31 132.129 132.129 125.161 6.968 19666
1711 1 6 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.446 -0.591 19666
1712 1 6 . 1 1 31 31 LEU C C 31 174.716 174.716 176.218 -1.502 19666
1713 1 6 . 1 1 31 31 LEU CA C 31 52.890 52.890 53.799 -0.909 19666
1714 1 6 . 1 1 31 31 LEU CB C 31 46.322 46.322 45.375 0.947 19666
1715 1 6 . 1 1 31 31 LEU H H 31 8.015 8.015 8.367 -0.352 19666
1716 1 6 . 1 1 32 32 TRP N N 32 126.855 126.855 121.359 5.496 19666
1717 1 6 . 1 1 32 32 TRP HA H 32 3.674 3.674 3.785 -0.111 19666
1718 1 6 . 1 1 32 32 TRP C C 32 176.444 176.444 175.501 0.943 19666
1719 1 6 . 1 1 32 32 TRP CA C 32 57.808 57.808 57.718 0.090 19666
1720 1 6 . 1 1 32 32 TRP CB C 32 24.551 24.551 27.207 -2.656 19666
1721 1 6 . 1 1 32 32 TRP H H 32 8.835 8.835 8.375 0.460 19666
1722 1 6 . 1 1 33 33 TYR N N 33 109.453 109.453 111.809 -2.356 19666
1723 1 6 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.490 -0.049 19666
1724 1 6 . 1 1 33 33 TYR C C 33 173.802 173.802 175.225 -1.423 19666
1725 1 6 . 1 1 33 33 TYR CA C 33 59.804 59.804 58.090 1.714 19666
1726 1 6 . 1 1 33 33 TYR CB C 33 35.213 35.213 35.906 -0.693 19666
1727 1 6 . 1 1 33 33 TYR H H 33 8.021 8.021 7.719 0.302 19666
1728 1 6 . 1 1 34 34 LYS N N 34 116.660 116.660 117.307 -0.647 19666
1729 1 6 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.546 -0.131 19666
1730 1 6 . 1 1 34 34 LYS C C 34 174.545 174.545 174.383 0.162 19666
1731 1 6 . 1 1 34 34 LYS CA C 34 55.268 55.268 54.984 0.284 19666
1732 1 6 . 1 1 34 34 LYS CB C 34 37.142 37.142 36.602 0.540 19666
1733 1 6 . 1 1 34 34 LYS H H 34 6.799 6.799 6.916 -0.117 19666
1734 1 6 . 1 1 35 35 TRP N N 35 122.637 122.637 125.594 -2.957 19666
1735 1 6 . 1 1 35 35 TRP HA H 35 4.565 4.565 5.130 -0.565 19666
1736 1 6 . 1 1 35 35 TRP C C 35 176.720 176.720 176.880 -0.160 19666
1737 1 6 . 1 1 35 35 TRP CA C 35 58.264 58.264 57.735 0.529 19666
1738 1 6 . 1 1 35 35 TRP CB C 35 29.346 29.346 29.353 -0.007 19666
1739 1 6 . 1 1 35 35 TRP H H 35 8.786 8.786 8.976 -0.190 19666
1740 1 6 . 1 1 36 36 ARG N N 36 125.976 125.976 123.880 2.096 19666
1741 1 6 . 1 1 36 36 ARG HA H 36 5.133 5.133 5.031 0.102 19666
1742 1 6 . 1 1 36 36 ARG CA C 36 53.125 53.125 53.007 0.118 19666
1743 1 6 . 1 1 36 36 ARG CB C 36 31.094 31.094 31.345 -0.251 19666
1744 1 6 . 1 1 36 36 ARG H H 36 9.128 9.128 9.035 0.093 19666
1745 1 6 . 1 1 37 37 PRO HA H 37 5.364 5.364 4.593 0.771 19666
1746 1 6 . 1 1 37 37 PRO C C 37 175.961 175.961 176.122 -0.161 19666
1747 1 6 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.567 -0.547 19666
1748 1 6 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.766 -0.617 19666
1749 1 6 . 1 1 38 38 LEU N N 38 116.660 116.660 117.844 -1.184 19666
1750 1 6 . 1 1 38 38 LEU HA H 38 5.613 5.613 5.003 0.610 19666
1751 1 6 . 1 1 38 38 LEU C C 38 177.828 177.828 175.782 2.046 19666
1752 1 6 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.807 -1.319 19666
1753 1 6 . 1 1 38 38 LEU CB C 38 45.969 45.969 46.291 -0.322 19666
1754 1 6 . 1 1 38 38 LEU H H 38 7.047 7.047 8.466 -1.419 19666
1755 1 6 . 1 1 39 39 ASP N N 39 117.187 117.187 119.333 -2.146 19666
1756 1 6 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.812 -0.147 19666
1757 1 6 . 1 1 39 39 ASP C C 39 173.855 173.855 175.763 -1.908 19666
1758 1 6 . 1 1 39 39 ASP CA C 39 53.115 53.115 53.816 -0.701 19666
1759 1 6 . 1 1 39 39 ASP CB C 39 44.870 44.870 43.335 1.535 19666
1760 1 6 . 1 1 39 39 ASP H H 39 9.136 9.136 8.351 0.785 19666
1761 1 6 . 1 1 40 40 CYS N N 40 122.812 122.812 125.041 -2.229 19666
1762 1 6 . 1 1 40 40 CYS HA H 40 4.645 4.645 4.439 0.206 19666
1763 1 6 . 1 1 40 40 CYS C C 40 173.638 173.638 174.771 -1.133 19666
1764 1 6 . 1 1 40 40 CYS CA C 40 56.149 56.149 60.246 -4.097 19666
1765 1 6 . 1 1 40 40 CYS CB C 40 38.887 38.887 25.204 13.683 19666
1766 1 6 . 1 1 40 40 CYS H H 40 8.704 8.704 8.691 0.013 19666
1767 1 6 . 1 1 41 41 ARG N N 41 131.953 131.953 126.832 5.121 19666
1768 1 6 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.679 0.007 19666
1769 1 6 . 1 1 41 41 ARG C C 41 175.082 175.082 174.938 0.144 19666
1770 1 6 . 1 1 41 41 ARG CA C 41 54.050 54.050 54.038 0.012 19666
1771 1 6 . 1 1 41 41 ARG CB C 41 32.462 32.462 33.943 -1.481 19666
1772 1 6 . 1 1 41 41 ARG H H 41 8.742 8.742 9.050 -0.308 19666
1773 1 6 . 1 1 42 42 CYS N N 42 123.340 123.340 122.560 0.780 19666
1774 1 6 . 1 1 42 42 CYS HA H 42 5.216 5.216 4.676 0.540 19666
1775 1 6 . 1 1 42 42 CYS C C 42 174.439 174.439 174.643 -0.204 19666
1776 1 6 . 1 1 42 42 CYS CA C 42 55.531 55.531 58.177 -2.646 19666
1777 1 6 . 1 1 42 42 CYS CB C 42 44.384 44.384 25.688 18.696 19666
1778 1 6 . 1 1 42 42 CYS H H 42 8.945 8.945 8.756 0.189 19666
1779 1 6 . 1 1 43 43 LEU N N 43 125.976 125.976 126.121 -0.145 19666
1780 1 6 . 1 1 43 43 LEU HA H 43 4.544 4.544 4.857 -0.313 19666
1781 1 6 . 1 1 43 43 LEU C C 43 176.723 176.723 174.630 2.093 19666
1782 1 6 . 1 1 43 43 LEU CA C 43 54.458 54.458 53.751 0.708 19666
1783 1 6 . 1 1 43 43 LEU CB C 43 43.516 43.516 44.550 -1.034 19666
1784 1 6 . 1 1 43 43 LEU H H 43 8.722 8.722 8.220 0.502 19666
1785 1 6 . 1 1 44 44 LYS N N 44 122.285 122.285 119.604 2.681 19666
1786 1 6 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.888 -0.367 19666
1787 1 6 . 1 1 44 44 LYS C C 44 176.254 176.254 176.071 0.183 19666
1788 1 6 . 1 1 44 44 LYS CA C 44 56.395 56.395 55.763 0.632 19666
1789 1 6 . 1 1 44 44 LYS CB C 44 33.171 33.171 34.193 -1.022 19666
1790 1 6 . 1 1 44 44 LYS H H 44 8.577 8.577 8.290 0.287 19666
1791 1 6 . 1 1 45 45 SER N N 45 117.715 117.715 117.159 0.556 19666
1792 1 6 . 1 1 45 45 SER HA H 45 4.562 4.562 4.485 0.077 19666
1793 1 6 . 1 1 45 45 SER C C 45 174.264 174.264 174.575 -0.311 19666
1794 1 6 . 1 1 45 45 SER CA C 45 57.318 57.318 57.644 -0.326 19666
1795 1 6 . 1 1 45 45 SER CB C 45 64.221 64.221 62.715 1.506 19666
1796 1 6 . 1 1 45 45 SER H H 45 8.254 8.254 8.856 -0.602 19666
1797 1 6 . 1 1 46 46 GLY N N 46 111.386 111.386 110.388 0.998 19666
1798 1 6 . 1 1 46 46 GLY C C 46 174.068 174.068 173.919 0.149 19666
1799 1 6 . 1 1 46 46 GLY CA C 46 45.310 45.310 45.745 -0.435 19666
1800 1 6 . 1 1 46 46 GLY H H 46 8.405 8.405 8.490 -0.085 19666
1801 1 6 . 1 1 47 47 PHE N N 47 120.703 120.703 117.310 3.393 19666
1802 1 6 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.569 -0.205 19666
1803 1 6 . 1 1 47 47 PHE C C 47 176.313 176.313 175.586 0.727 19666
1804 1 6 . 1 1 47 47 PHE CA C 47 58.892 58.892 56.235 2.657 19666
1805 1 6 . 1 1 47 47 PHE CB C 47 39.249 39.249 40.153 -0.904 19666
1806 1 6 . 1 1 47 47 PHE H H 47 8.362 8.362 7.465 0.897 19666
1807 1 6 . 1 1 48 48 PHE N N 48 117.363 117.363 119.706 -2.343 19666
1808 1 6 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.624 0.046 19666
1809 1 6 . 1 1 48 48 PHE C C 48 175.325 175.325 176.631 -1.306 19666
1810 1 6 . 1 1 48 48 PHE CA C 48 57.687 57.687 59.180 -1.493 19666
1811 1 6 . 1 1 48 48 PHE CB C 48 39.669 39.669 39.803 -0.135 19666
1812 1 6 . 1 1 48 48 PHE H H 48 8.316 8.316 8.528 -0.212 19666
1813 1 6 . 1 1 49 49 SER N N 49 114.726 114.726 116.374 -1.648 19666
1814 1 6 . 1 1 49 49 SER HA H 49 4.498 4.498 4.706 -0.208 19666
1815 1 6 . 1 1 49 49 SER C C 49 174.190 174.190 174.303 -0.113 19666
1816 1 6 . 1 1 49 49 SER CA C 49 58.441 58.441 57.308 1.133 19666
1817 1 6 . 1 1 49 49 SER CB C 49 64.234 64.234 63.149 1.085 19666
1818 1 6 . 1 1 49 49 SER H H 49 7.831 7.831 8.056 -0.225 19666
1819 1 6 . 1 1 50 50 SER N N 50 117.363 117.363 122.922 -5.559 19666
1820 1 6 . 1 1 50 50 SER HA H 50 4.682 4.682 4.418 0.264 19666
1821 1 6 . 1 1 50 50 SER C C 50 173.200 173.200 173.948 -0.748 19666
1822 1 6 . 1 1 50 50 SER CA C 50 58.394 58.394 59.436 -1.042 19666
1823 1 6 . 1 1 50 50 SER CB C 50 64.843 64.843 63.709 1.134 19666
1824 1 6 . 1 1 50 50 SER H H 50 8.396 8.396 8.658 -0.262 19666
1825 1 6 . 1 1 51 51 LYS N N 51 122.812 122.812 125.704 -2.892 19666
1826 1 6 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.593 -0.065 19666
1827 1 6 . 1 1 51 51 LYS C C 51 175.239 175.239 175.079 0.160 19666
1828 1 6 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.536 0.223 19666
1829 1 6 . 1 1 51 51 LYS CB C 51 34.450 34.450 35.047 -0.597 19666
1830 1 6 . 1 1 51 51 LYS H H 51 8.453 8.453 8.496 -0.043 19666
1831 1 6 . 1 1 52 52 CYS N N 52 124.922 124.922 123.453 1.469 19666
1832 1 6 . 1 1 52 52 CYS HA H 52 5.525 5.525 5.181 0.344 19666
1833 1 6 . 1 1 52 52 CYS C C 52 174.345 174.345 174.210 0.135 19666
1834 1 6 . 1 1 52 52 CYS CA C 52 55.786 55.786 58.040 -2.254 19666
1835 1 6 . 1 1 52 52 CYS CB C 52 47.500 47.500 26.125 21.375 19666
1836 1 6 . 1 1 52 52 CYS H H 52 8.828 8.828 8.846 -0.018 19666
1837 1 6 . 1 1 53 53 VAL N N 53 117.187 117.187 119.037 -1.850 19666
1838 1 6 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.553 0.458 19666
1839 1 6 . 1 1 53 53 VAL C C 53 176.396 176.396 174.287 2.109 19666
1840 1 6 . 1 1 53 53 VAL CA C 53 59.190 59.190 58.529 0.661 19666
1841 1 6 . 1 1 53 53 VAL CB C 53 37.293 37.293 34.259 3.034 19666
1842 1 6 . 1 1 53 53 VAL H H 53 8.625 8.625 8.437 0.188 19666
1843 1 6 . 1 1 54 54 CYS N N 54 120.703 120.703 121.420 -0.717 19666
1844 1 6 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.548 0.464 19666
1845 1 6 . 1 1 54 54 CYS C C 54 175.637 175.637 174.563 1.074 19666
1846 1 6 . 1 1 54 54 CYS CA C 54 55.432 55.432 60.629 -5.197 19666
1847 1 6 . 1 1 54 54 CYS CB C 54 40.268 40.268 25.402 14.866 19666
1848 1 6 . 1 1 54 54 CYS H H 54 8.072 8.072 8.062 0.010 19666
1849 1 6 . 1 1 55 55 ARG N N 55 124.922 124.922 124.196 0.726 19666
1850 1 6 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.774 0.079 19666
1851 1 6 . 1 1 55 55 ARG C C 55 174.029 174.029 174.540 -0.511 19666
1852 1 6 . 1 1 55 55 ARG CA C 55 53.194 53.194 53.617 -0.423 19666
1853 1 6 . 1 1 55 55 ARG CB C 55 35.049 35.049 34.065 0.984 19666
1854 1 6 . 1 1 55 55 ARG H H 55 9.378 9.378 8.526 0.852 19666
1855 1 6 . 1 1 56 56 ASP N N 56 117.011 117.011 122.338 -5.327 19666
1856 1 6 . 1 1 56 56 ASP HA H 56 5.244 5.244 4.883 0.361 19666
1857 1 6 . 1 1 56 56 ASP C C 56 175.192 175.192 176.182 -0.990 19666
1858 1 6 . 1 1 56 56 ASP CA C 56 53.525 53.525 54.250 -0.725 19666
1859 1 6 . 1 1 56 56 ASP CB C 56 39.655 39.655 40.730 -1.075 19666
1860 1 6 . 1 1 56 56 ASP H H 56 9.693 9.693 8.832 0.861 19666
1861 1 7 . 1 1 2 2 ALA N N 2 124.746 124.746 125.619 -0.873 19666
1862 1 7 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.425 -0.198 19666
1863 1 7 . 1 1 2 2 ALA C C 2 176.106 176.106 176.112 -0.006 19666
1864 1 7 . 1 1 2 2 ALA CA C 2 52.504 52.504 51.198 1.306 19666
1865 1 7 . 1 1 2 2 ALA CB C 2 19.016 19.016 20.852 -1.836 19666
1866 1 7 . 1 1 2 2 ALA H H 2 8.421 8.421 7.780 0.641 19666
1867 1 7 . 1 1 3 3 LYS N N 3 120.527 120.527 118.265 2.262 19666
1868 1 7 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.596 -0.260 19666
1869 1 7 . 1 1 3 3 LYS C C 3 175.343 175.343 175.078 0.265 19666
1870 1 7 . 1 1 3 3 LYS CA C 3 54.848 54.848 53.760 1.088 19666
1871 1 7 . 1 1 3 3 LYS CB C 3 34.392 34.392 34.320 0.072 19666
1872 1 7 . 1 1 3 3 LYS H H 3 8.275 8.275 8.383 -0.108 19666
1873 1 7 . 1 1 4 4 ASP N N 4 120.351 120.351 119.967 0.384 19666
1874 1 7 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.448 -0.071 19666
1875 1 7 . 1 1 4 4 ASP C C 4 177.084 177.084 177.818 -0.734 19666
1876 1 7 . 1 1 4 4 ASP CA C 4 55.908 55.908 55.547 0.361 19666
1877 1 7 . 1 1 4 4 ASP CB C 4 41.206 41.206 40.177 1.029 19666
1878 1 7 . 1 1 4 4 ASP H H 4 8.288 8.288 8.499 -0.211 19666
1879 1 7 . 1 1 5 5 GLY N N 5 113.320 113.320 114.214 -0.894 19666
1880 1 7 . 1 1 5 5 GLY C C 5 174.205 174.205 173.781 0.424 19666
1881 1 7 . 1 1 5 5 GLY CA C 5 45.496 45.496 44.769 0.727 19666
1882 1 7 . 1 1 5 5 GLY H H 5 8.823 8.823 8.834 -0.011 19666
1883 1 7 . 1 1 6 6 ASP N N 6 121.054 121.054 121.499 -0.445 19666
1884 1 7 . 1 1 6 6 ASP HA H 6 4.641 4.641 5.168 -0.527 19666
1885 1 7 . 1 1 6 6 ASP C C 6 175.139 175.139 175.086 0.053 19666
1886 1 7 . 1 1 6 6 ASP CA C 6 55.022 55.022 53.587 1.435 19666
1887 1 7 . 1 1 6 6 ASP CB C 6 41.095 41.095 43.154 -2.059 19666
1888 1 7 . 1 1 6 6 ASP H H 6 8.291 8.291 7.824 0.467 19666
1889 1 7 . 1 1 7 7 VAL N N 7 110.156 110.156 118.053 -7.897 19666
1890 1 7 . 1 1 7 7 VAL HA H 7 5.505 5.505 5.313 0.192 19666
1891 1 7 . 1 1 7 7 VAL C C 7 175.917 175.917 174.101 1.816 19666
1892 1 7 . 1 1 7 7 VAL CA C 7 59.486 59.486 59.252 0.234 19666
1893 1 7 . 1 1 7 7 VAL CB C 7 37.503 37.503 35.890 1.613 19666
1894 1 7 . 1 1 7 7 VAL H H 7 8.242 8.242 8.420 -0.178 19666
1895 1 7 . 1 1 8 8 GLU N N 8 119.824 119.824 120.846 -1.022 19666
1896 1 7 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.591 0.117 19666
1897 1 7 . 1 1 8 8 GLU C C 8 175.138 175.138 175.375 -0.237 19666
1898 1 7 . 1 1 8 8 GLU CA C 8 55.018 55.018 54.715 0.303 19666
1899 1 7 . 1 1 8 8 GLU CB C 8 32.660 32.660 32.764 -0.104 19666
1900 1 7 . 1 1 8 8 GLU H H 8 8.428 8.428 8.765 -0.337 19666
1901 1 7 . 1 1 9 9 GLY N N 9 112.265 112.265 111.303 0.962 19666
1902 1 7 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.490 0.197 19666
1903 1 7 . 1 1 9 9 GLY H H 9 8.498 8.498 8.203 0.295 19666
1904 1 7 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.508 -0.055 19666
1905 1 7 . 1 1 10 10 PRO C C 10 175.902 175.902 176.350 -0.448 19666
1906 1 7 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.509 -0.253 19666
1907 1 7 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.245 0.067 19666
1908 1 7 . 1 1 11 11 ALA N N 11 123.340 123.340 124.175 -0.835 19666
1909 1 7 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.154 0.007 19666
1910 1 7 . 1 1 11 11 ALA C C 11 179.442 179.442 178.288 1.154 19666
1911 1 7 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.191 0.475 19666
1912 1 7 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.436 -0.534 19666
1913 1 7 . 1 1 11 11 ALA H H 11 8.424 8.424 8.345 0.079 19666
1914 1 7 . 1 1 12 12 GLY N N 12 111.386 111.386 111.516 -0.130 19666
1915 1 7 . 1 1 12 12 GLY C C 12 174.908 174.908 174.650 0.258 19666
1916 1 7 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.509 0.646 19666
1917 1 7 . 1 1 12 12 GLY H H 12 8.795 8.795 8.526 0.269 19666
1918 1 7 . 1 1 13 13 CYS N N 13 118.593 118.593 117.138 1.455 19666
1919 1 7 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.689 -0.114 19666
1920 1 7 . 1 1 13 13 CYS C C 13 173.390 173.390 174.365 -0.975 19666
1921 1 7 . 1 1 13 13 CYS CA C 13 55.412 55.412 57.327 -1.915 19666
1922 1 7 . 1 1 13 13 CYS CB C 13 40.858 40.858 28.932 11.926 19666
1923 1 7 . 1 1 13 13 CYS H H 13 8.051 8.051 7.700 0.351 19666
1924 1 7 . 1 1 14 14 LYS N N 14 120.527 120.527 121.993 -1.466 19666
1925 1 7 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.477 -0.064 19666
1926 1 7 . 1 1 14 14 LYS C C 14 174.523 174.523 176.104 -1.581 19666
1927 1 7 . 1 1 14 14 LYS CA C 14 56.695 56.695 55.041 1.654 19666
1928 1 7 . 1 1 14 14 LYS CB C 14 34.840 34.840 31.691 3.149 19666
1929 1 7 . 1 1 14 14 LYS H H 14 8.661 8.661 8.458 0.203 19666
1930 1 7 . 1 1 15 15 LYS N N 15 120.000 120.000 123.637 -3.637 19666
1931 1 7 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.325 -0.280 19666
1932 1 7 . 1 1 15 15 LYS C C 15 174.446 174.446 176.146 -1.700 19666
1933 1 7 . 1 1 15 15 LYS CA C 15 55.806 55.806 55.655 0.151 19666
1934 1 7 . 1 1 15 15 LYS CB C 15 34.975 34.975 33.732 1.243 19666
1935 1 7 . 1 1 15 15 LYS H H 15 7.335 7.335 8.506 -1.171 19666
1936 1 7 . 1 1 16 16 TYR N N 16 118.242 118.242 120.966 -2.724 19666
1937 1 7 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.104 -0.495 19666
1938 1 7 . 1 1 16 16 TYR C C 16 176.146 176.146 175.868 0.278 19666
1939 1 7 . 1 1 16 16 TYR CA C 16 59.985 59.985 60.254 -0.269 19666
1940 1 7 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.691 0.490 19666
1941 1 7 . 1 1 16 16 TYR H H 16 9.183 9.183 7.987 1.196 19666
1942 1 7 . 1 1 17 17 ASP N N 17 123.164 123.164 122.656 0.508 19666
1943 1 7 . 1 1 17 17 ASP HA H 17 4.089 4.089 3.899 0.190 19666
1944 1 7 . 1 1 17 17 ASP C C 17 174.793 174.793 174.108 0.685 19666
1945 1 7 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.245 0.137 19666
1946 1 7 . 1 1 17 17 ASP CB C 17 39.934 39.934 38.799 1.135 19666
1947 1 7 . 1 1 17 17 ASP H H 17 9.185 9.185 8.165 1.020 19666
1948 1 7 . 1 1 18 18 VAL N N 18 121.230 121.230 115.531 5.699 19666
1949 1 7 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.187 -0.218 19666
1950 1 7 . 1 1 18 18 VAL C C 18 175.615 175.615 175.177 0.438 19666
1951 1 7 . 1 1 18 18 VAL CA C 18 62.527 62.527 60.812 1.715 19666
1952 1 7 . 1 1 18 18 VAL CB C 18 31.705 31.705 35.713 -4.008 19666
1953 1 7 . 1 1 18 18 VAL H H 18 7.873 7.873 7.650 0.223 19666
1954 1 7 . 1 1 19 19 GLU N N 19 126.328 126.328 123.787 2.541 19666
1955 1 7 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.404 0.447 19666
1956 1 7 . 1 1 19 19 GLU C C 19 175.883 175.883 175.860 0.023 19666
1957 1 7 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.654 -0.228 19666
1958 1 7 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.708 -1.165 19666
1959 1 7 . 1 1 19 19 GLU H H 19 8.437 8.437 8.541 -0.104 19666
1960 1 7 . 1 1 20 20 CYS N N 20 117.715 117.715 118.699 -0.984 19666
1961 1 7 . 1 1 20 20 CYS HA H 20 4.920 4.920 5.021 -0.101 19666
1962 1 7 . 1 1 20 20 CYS C C 20 172.746 172.746 173.867 -1.121 19666
1963 1 7 . 1 1 20 20 CYS CA C 20 53.849 53.849 55.515 -1.666 19666
1964 1 7 . 1 1 20 20 CYS CB C 20 45.604 45.604 30.934 14.670 19666
1965 1 7 . 1 1 20 20 CYS H H 20 8.357 8.357 8.562 -0.205 19666
1966 1 7 . 1 1 21 21 ASP N N 21 119.297 119.297 119.929 -0.632 19666
1967 1 7 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.870 -0.090 19666
1968 1 7 . 1 1 21 21 ASP C C 21 175.903 175.903 176.719 -0.816 19666
1969 1 7 . 1 1 21 21 ASP CA C 21 53.839 53.839 53.418 0.421 19666
1970 1 7 . 1 1 21 21 ASP H H 21 8.077 8.077 8.647 -0.570 19666
1971 1 7 . 1 1 22 22 SER N N 22 113.751 113.751 116.261 -2.510 19666
1972 1 7 . 1 1 22 22 SER HA H 22 4.066 4.066 4.109 -0.043 19666
1973 1 7 . 1 1 22 22 SER C C 22 175.610 175.610 174.727 0.883 19666
1974 1 7 . 1 1 22 22 SER CA C 22 59.986 59.986 58.701 1.285 19666
1975 1 7 . 1 1 22 22 SER CB C 22 63.377 63.377 62.387 0.990 19666
1976 1 7 . 1 1 22 22 SER H H 22 8.477 8.477 8.890 -0.413 19666
1977 1 7 . 1 1 23 23 GLY N N 23 112.441 112.441 106.328 6.113 19666
1978 1 7 . 1 1 23 23 GLY C C 23 175.341 175.341 173.956 1.385 19666
1979 1 7 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.678 -0.053 19666
1980 1 7 . 1 1 23 23 GLY H H 23 8.666 8.666 8.519 0.147 19666
1981 1 7 . 1 1 24 24 GLU N N 24 115.429 115.429 119.344 -3.915 19666
1982 1 7 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.557 -0.237 19666
1983 1 7 . 1 1 24 24 GLU CA C 24 56.875 56.875 55.747 1.128 19666
1984 1 7 . 1 1 24 24 GLU CB C 24 32.969 32.969 31.444 1.525 19666
1985 1 7 . 1 1 24 24 GLU H H 24 7.852 7.852 7.670 0.182 19666
1986 1 7 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.739 0.141 19666
1987 1 7 . 1 1 25 25 CYS C C 25 175.605 175.605 175.012 0.593 19666
1988 1 7 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.534 -2.117 19666
1989 1 7 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.570 11.437 19666
1990 1 7 . 1 1 26 26 CYS N N 26 122.988 122.988 121.980 1.008 19666
1991 1 7 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.326 0.243 19666
1992 1 7 . 1 1 26 26 CYS C C 26 172.335 172.335 176.207 -3.872 19666
1993 1 7 . 1 1 26 26 CYS CA C 26 55.441 55.441 59.990 -4.549 19666
1994 1 7 . 1 1 26 26 CYS CB C 26 38.977 38.977 28.682 10.295 19666
1995 1 7 . 1 1 26 26 CYS H H 26 9.987 9.987 8.658 1.329 19666
1996 1 7 . 1 1 27 27 GLN N N 27 119.472 119.472 120.199 -0.727 19666
1997 1 7 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.041 0.115 19666
1998 1 7 . 1 1 27 27 GLN C C 27 178.958 178.958 176.873 2.085 19666
1999 1 7 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.684 0.714 19666
2000 1 7 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.489 -0.355 19666
2001 1 7 . 1 1 27 27 GLN H H 27 8.129 8.129 8.269 -0.140 19666
2002 1 7 . 1 1 28 28 LYS N N 28 111.211 111.211 114.135 -2.924 19666
2003 1 7 . 1 1 28 28 LYS HA H 28 5.398 5.398 4.926 0.472 19666
2004 1 7 . 1 1 28 28 LYS C C 28 174.506 174.506 174.445 0.061 19666
2005 1 7 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.535 -0.818 19666
2006 1 7 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.095 3.127 19666
2007 1 7 . 1 1 28 28 LYS H H 28 7.945 7.945 7.426 0.519 19666
2008 1 7 . 1 1 29 29 GLN N N 29 120.527 120.527 119.040 1.487 19666
2009 1 7 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.398 -0.125 19666
2010 1 7 . 1 1 29 29 GLN C C 29 173.392 173.392 173.966 -0.574 19666
2011 1 7 . 1 1 29 29 GLN CA C 29 54.499 54.499 54.887 -0.388 19666
2012 1 7 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.781 -0.788 19666
2013 1 7 . 1 1 29 29 GLN H H 29 9.096 9.096 9.203 -0.107 19666
2014 1 7 . 1 1 30 30 TYR N N 30 130.371 130.371 125.867 4.504 19666
2015 1 7 . 1 1 30 30 TYR HA H 30 3.824 3.824 4.464 -0.640 19666
2016 1 7 . 1 1 30 30 TYR C C 30 173.213 173.213 173.503 -0.290 19666
2017 1 7 . 1 1 30 30 TYR CA C 30 58.018 58.018 56.805 1.213 19666
2018 1 7 . 1 1 30 30 TYR CB C 30 35.574 35.574 37.741 -2.167 19666
2019 1 7 . 1 1 30 30 TYR H H 30 8.378 8.378 8.968 -0.590 19666
2020 1 7 . 1 1 31 31 LEU N N 31 132.129 132.129 125.546 6.583 19666
2021 1 7 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.390 -0.535 19666
2022 1 7 . 1 1 31 31 LEU C C 31 174.716 174.716 176.190 -1.474 19666
2023 1 7 . 1 1 31 31 LEU CA C 31 52.890 52.890 53.610 -0.720 19666
2024 1 7 . 1 1 31 31 LEU CB C 31 46.322 46.322 45.033 1.289 19666
2025 1 7 . 1 1 31 31 LEU H H 31 8.015 8.015 8.453 -0.438 19666
2026 1 7 . 1 1 32 32 TRP N N 32 126.855 126.855 123.341 3.514 19666
2027 1 7 . 1 1 32 32 TRP HA H 32 3.674 3.674 3.750 -0.076 19666
2028 1 7 . 1 1 32 32 TRP C C 32 176.444 176.444 175.076 1.368 19666
2029 1 7 . 1 1 32 32 TRP CA C 32 57.808 57.808 57.856 -0.049 19666
2030 1 7 . 1 1 32 32 TRP CB C 32 24.551 24.551 28.038 -3.487 19666
2031 1 7 . 1 1 32 32 TRP H H 32 8.835 8.835 8.396 0.439 19666
2032 1 7 . 1 1 33 33 TYR N N 33 109.453 109.453 112.260 -2.807 19666
2033 1 7 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.355 0.086 19666
2034 1 7 . 1 1 33 33 TYR C C 33 173.802 173.802 174.742 -0.940 19666
2035 1 7 . 1 1 33 33 TYR CA C 33 59.804 59.804 58.260 1.544 19666
2036 1 7 . 1 1 33 33 TYR CB C 33 35.213 35.213 35.926 -0.713 19666
2037 1 7 . 1 1 33 33 TYR H H 33 8.021 8.021 7.683 0.338 19666
2038 1 7 . 1 1 34 34 LYS N N 34 116.660 116.660 117.655 -0.995 19666
2039 1 7 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.601 -0.186 19666
2040 1 7 . 1 1 34 34 LYS C C 34 174.545 174.545 174.030 0.515 19666
2041 1 7 . 1 1 34 34 LYS CA C 34 55.268 55.268 54.685 0.583 19666
2042 1 7 . 1 1 34 34 LYS CB C 34 37.142 37.142 35.906 1.236 19666
2043 1 7 . 1 1 34 34 LYS H H 34 6.799 6.799 6.766 0.033 19666
2044 1 7 . 1 1 35 35 TRP N N 35 122.637 122.637 123.793 -1.156 19666
2045 1 7 . 1 1 35 35 TRP HA H 35 4.565 4.565 5.282 -0.717 19666
2046 1 7 . 1 1 35 35 TRP C C 35 176.720 176.720 176.849 -0.129 19666
2047 1 7 . 1 1 35 35 TRP CA C 35 58.264 58.264 57.065 1.199 19666
2048 1 7 . 1 1 35 35 TRP CB C 35 29.346 29.346 29.727 -0.381 19666
2049 1 7 . 1 1 35 35 TRP H H 35 8.786 8.786 8.723 0.063 19666
2050 1 7 . 1 1 36 36 ARG N N 36 125.976 125.976 124.608 1.368 19666
2051 1 7 . 1 1 36 36 ARG HA H 36 5.133 5.133 5.034 0.099 19666
2052 1 7 . 1 1 36 36 ARG CA C 36 53.125 53.125 53.148 -0.023 19666
2053 1 7 . 1 1 36 36 ARG CB C 36 31.094 31.094 31.560 -0.466 19666
2054 1 7 . 1 1 36 36 ARG H H 36 9.128 9.128 9.146 -0.018 19666
2055 1 7 . 1 1 37 37 PRO HA H 37 5.364 5.364 4.587 0.777 19666
2056 1 7 . 1 1 37 37 PRO C C 37 175.961 175.961 176.170 -0.209 19666
2057 1 7 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.531 -0.511 19666
2058 1 7 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.656 -0.507 19666
2059 1 7 . 1 1 38 38 LEU N N 38 116.660 116.660 118.108 -1.448 19666
2060 1 7 . 1 1 38 38 LEU HA H 38 5.613 5.613 5.019 0.595 19666
2061 1 7 . 1 1 38 38 LEU C C 38 177.828 177.828 175.801 2.027 19666
2062 1 7 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.736 -1.248 19666
2063 1 7 . 1 1 38 38 LEU CB C 38 45.969 45.969 46.083 -0.114 19666
2064 1 7 . 1 1 38 38 LEU H H 38 7.047 7.047 8.440 -1.393 19666
2065 1 7 . 1 1 39 39 ASP N N 39 117.187 117.187 120.273 -3.086 19666
2066 1 7 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.854 -0.189 19666
2067 1 7 . 1 1 39 39 ASP C C 39 173.855 173.855 174.464 -0.609 19666
2068 1 7 . 1 1 39 39 ASP CA C 39 53.115 53.115 53.299 -0.184 19666
2069 1 7 . 1 1 39 39 ASP CB C 39 44.870 44.870 44.792 0.078 19666
2070 1 7 . 1 1 39 39 ASP H H 39 9.136 9.136 8.453 0.683 19666
2071 1 7 . 1 1 40 40 CYS N N 40 122.812 122.812 122.798 0.014 19666
2072 1 7 . 1 1 40 40 CYS HA H 40 4.645 4.645 5.077 -0.432 19666
2073 1 7 . 1 1 40 40 CYS C C 40 173.638 173.638 174.807 -1.169 19666
2074 1 7 . 1 1 40 40 CYS CA C 40 56.149 56.149 59.057 -2.908 19666
2075 1 7 . 1 1 40 40 CYS CB C 40 38.887 38.887 25.405 13.482 19666
2076 1 7 . 1 1 40 40 CYS H H 40 8.704 8.704 8.966 -0.262 19666
2077 1 7 . 1 1 41 41 ARG N N 41 131.953 131.953 125.617 6.336 19666
2078 1 7 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.729 -0.043 19666
2079 1 7 . 1 1 41 41 ARG C C 41 175.082 175.082 174.962 0.120 19666
2080 1 7 . 1 1 41 41 ARG CA C 41 54.050 54.050 53.544 0.506 19666
2081 1 7 . 1 1 41 41 ARG CB C 41 32.462 32.462 33.538 -1.076 19666
2082 1 7 . 1 1 41 41 ARG H H 41 8.742 8.742 9.099 -0.357 19666
2083 1 7 . 1 1 42 42 CYS N N 42 123.340 123.340 121.570 1.770 19666
2084 1 7 . 1 1 42 42 CYS HA H 42 5.216 5.216 5.109 0.107 19666
2085 1 7 . 1 1 42 42 CYS C C 42 174.439 174.439 174.612 -0.173 19666
2086 1 7 . 1 1 42 42 CYS CA C 42 55.531 55.531 58.003 -2.472 19666
2087 1 7 . 1 1 42 42 CYS CB C 42 44.384 44.384 26.548 17.836 19666
2088 1 7 . 1 1 42 42 CYS H H 42 8.945 8.945 8.726 0.219 19666
2089 1 7 . 1 1 43 43 LEU N N 43 125.976 125.976 123.900 2.076 19666
2090 1 7 . 1 1 43 43 LEU HA H 43 4.544 4.544 5.078 -0.534 19666
2091 1 7 . 1 1 43 43 LEU C C 43 176.723 176.723 174.473 2.250 19666
2092 1 7 . 1 1 43 43 LEU CA C 43 54.458 54.458 53.796 0.662 19666
2093 1 7 . 1 1 43 43 LEU CB C 43 43.516 43.516 44.872 -1.356 19666
2094 1 7 . 1 1 43 43 LEU H H 43 8.722 8.722 8.408 0.314 19666
2095 1 7 . 1 1 44 44 LYS N N 44 122.285 122.285 118.812 3.473 19666
2096 1 7 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.631 -0.110 19666
2097 1 7 . 1 1 44 44 LYS C C 44 176.254 176.254 175.855 0.399 19666
2098 1 7 . 1 1 44 44 LYS CA C 44 56.395 56.395 55.736 0.659 19666
2099 1 7 . 1 1 44 44 LYS CB C 44 33.171 33.171 34.557 -1.386 19666
2100 1 7 . 1 1 44 44 LYS H H 44 8.577 8.577 8.190 0.387 19666
2101 1 7 . 1 1 45 45 SER N N 45 117.715 117.715 118.129 -0.414 19666
2102 1 7 . 1 1 45 45 SER HA H 45 4.562 4.562 4.627 -0.065 19666
2103 1 7 . 1 1 45 45 SER C C 45 174.264 174.264 174.702 -0.438 19666
2104 1 7 . 1 1 45 45 SER CA C 45 57.318 57.318 58.249 -0.931 19666
2105 1 7 . 1 1 45 45 SER CB C 45 64.221 64.221 62.958 1.263 19666
2106 1 7 . 1 1 45 45 SER H H 45 8.254 8.254 8.865 -0.611 19666
2107 1 7 . 1 1 46 46 GLY N N 46 111.386 111.386 110.828 0.558 19666
2108 1 7 . 1 1 46 46 GLY C C 46 174.068 174.068 173.676 0.392 19666
2109 1 7 . 1 1 46 46 GLY CA C 46 45.310 45.310 46.034 -0.724 19666
2110 1 7 . 1 1 46 46 GLY H H 46 8.405 8.405 8.528 -0.123 19666
2111 1 7 . 1 1 47 47 PHE N N 47 120.703 120.703 117.540 3.163 19666
2112 1 7 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.248 0.116 19666
2113 1 7 . 1 1 47 47 PHE C C 47 176.313 176.313 176.281 0.032 19666
2114 1 7 . 1 1 47 47 PHE CA C 47 58.892 58.892 56.871 2.021 19666
2115 1 7 . 1 1 47 47 PHE CB C 47 39.249 39.249 40.844 -1.595 19666
2116 1 7 . 1 1 47 47 PHE H H 47 8.362 8.362 7.643 0.719 19666
2117 1 7 . 1 1 48 48 PHE N N 48 117.363 117.363 120.322 -2.959 19666
2118 1 7 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.375 0.295 19666
2119 1 7 . 1 1 48 48 PHE C C 48 175.325 175.325 175.987 -0.662 19666
2120 1 7 . 1 1 48 48 PHE CA C 48 57.687 57.687 59.937 -2.250 19666
2121 1 7 . 1 1 48 48 PHE CB C 48 39.669 39.669 39.101 0.568 19666
2122 1 7 . 1 1 48 48 PHE H H 48 8.316 8.316 8.379 -0.063 19666
2123 1 7 . 1 1 49 49 SER N N 49 114.726 114.726 111.747 2.979 19666
2124 1 7 . 1 1 49 49 SER HA H 49 4.498 4.498 4.734 -0.236 19666
2125 1 7 . 1 1 49 49 SER C C 49 174.190 174.190 172.832 1.358 19666
2126 1 7 . 1 1 49 49 SER CA C 49 58.441 58.441 57.564 0.877 19666
2127 1 7 . 1 1 49 49 SER CB C 49 64.234 64.234 65.855 -1.621 19666
2128 1 7 . 1 1 49 49 SER H H 49 7.831 7.831 7.740 0.091 19666
2129 1 7 . 1 1 50 50 SER N N 50 117.363 117.363 115.549 1.814 19666
2130 1 7 . 1 1 50 50 SER HA H 50 4.682 4.682 4.621 0.061 19666
2131 1 7 . 1 1 50 50 SER C C 50 173.200 173.200 173.438 -0.238 19666
2132 1 7 . 1 1 50 50 SER CA C 50 58.394 58.394 57.557 0.837 19666
2133 1 7 . 1 1 50 50 SER CB C 50 64.843 64.843 65.335 -0.492 19666
2134 1 7 . 1 1 50 50 SER H H 50 8.396 8.396 8.363 0.033 19666
2135 1 7 . 1 1 51 51 LYS N N 51 122.812 122.812 125.456 -2.644 19666
2136 1 7 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.572 -0.044 19666
2137 1 7 . 1 1 51 51 LYS C C 51 175.239 175.239 175.139 0.100 19666
2138 1 7 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.436 0.323 19666
2139 1 7 . 1 1 51 51 LYS CB C 51 34.450 34.450 34.610 -0.160 19666
2140 1 7 . 1 1 51 51 LYS H H 51 8.453 8.453 8.352 0.101 19666
2141 1 7 . 1 1 52 52 CYS N N 52 124.922 124.922 122.716 2.206 19666
2142 1 7 . 1 1 52 52 CYS HA H 52 5.525 5.525 5.462 0.063 19666
2143 1 7 . 1 1 52 52 CYS C C 52 174.345 174.345 174.700 -0.355 19666
2144 1 7 . 1 1 52 52 CYS CA C 52 55.786 55.786 57.825 -2.039 19666
2145 1 7 . 1 1 52 52 CYS CB C 52 47.500 47.500 26.372 21.128 19666
2146 1 7 . 1 1 52 52 CYS H H 52 8.828 8.828 8.874 -0.046 19666
2147 1 7 . 1 1 53 53 VAL N N 53 117.187 117.187 117.376 -0.189 19666
2148 1 7 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.881 0.130 19666
2149 1 7 . 1 1 53 53 VAL C C 53 176.396 176.396 174.327 2.069 19666
2150 1 7 . 1 1 53 53 VAL CA C 53 59.190 59.190 58.840 0.350 19666
2151 1 7 . 1 1 53 53 VAL CB C 53 37.293 37.293 34.976 2.317 19666
2152 1 7 . 1 1 53 53 VAL H H 53 8.625 8.625 8.714 -0.089 19666
2153 1 7 . 1 1 54 54 CYS N N 54 120.703 120.703 119.365 1.338 19666
2154 1 7 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.939 0.073 19666
2155 1 7 . 1 1 54 54 CYS C C 54 175.637 175.637 174.830 0.807 19666
2156 1 7 . 1 1 54 54 CYS CA C 54 55.432 55.432 59.472 -4.040 19666
2157 1 7 . 1 1 54 54 CYS CB C 54 40.268 40.268 26.093 14.175 19666
2158 1 7 . 1 1 54 54 CYS H H 54 8.072 8.072 8.346 -0.274 19666
2159 1 7 . 1 1 55 55 ARG N N 55 124.922 124.922 123.475 1.447 19666
2160 1 7 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.965 -0.112 19666
2161 1 7 . 1 1 55 55 ARG C C 55 174.029 174.029 174.342 -0.313 19666
2162 1 7 . 1 1 55 55 ARG CA C 55 53.194 53.194 54.078 -0.884 19666
2163 1 7 . 1 1 55 55 ARG CB C 55 35.049 35.049 34.582 0.467 19666
2164 1 7 . 1 1 55 55 ARG H H 55 9.378 9.378 9.027 0.351 19666
2165 1 7 . 1 1 56 56 ASP N N 56 117.011 117.011 121.976 -4.965 19666
2166 1 7 . 1 1 56 56 ASP HA H 56 5.244 5.244 4.735 0.509 19666
2167 1 7 . 1 1 56 56 ASP C C 56 175.192 175.192 175.351 -0.159 19666
2168 1 7 . 1 1 56 56 ASP CA C 56 53.525 53.525 54.050 -0.525 19666
2169 1 7 . 1 1 56 56 ASP CB C 56 39.655 39.655 40.999 -1.344 19666
2170 1 7 . 1 1 56 56 ASP H H 56 9.693 9.693 8.633 1.060 19666
2171 1 8 . 1 1 2 2 ALA N N 2 124.746 124.746 125.631 -0.885 19666
2172 1 8 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.172 0.055 19666
2173 1 8 . 1 1 2 2 ALA C C 2 176.106 176.106 176.240 -0.134 19666
2174 1 8 . 1 1 2 2 ALA CA C 2 52.504 52.504 52.112 0.392 19666
2175 1 8 . 1 1 2 2 ALA CB C 2 19.016 19.016 19.413 -0.397 19666
2176 1 8 . 1 1 2 2 ALA H H 2 8.421 8.421 7.937 0.484 19666
2177 1 8 . 1 1 3 3 LYS N N 3 120.527 120.527 119.440 1.087 19666
2178 1 8 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.596 -0.260 19666
2179 1 8 . 1 1 3 3 LYS C C 3 175.343 175.343 175.674 -0.331 19666
2180 1 8 . 1 1 3 3 LYS CA C 3 54.848 54.848 55.014 -0.166 19666
2181 1 8 . 1 1 3 3 LYS CB C 3 34.392 34.392 34.804 -0.412 19666
2182 1 8 . 1 1 3 3 LYS H H 3 8.275 8.275 8.385 -0.110 19666
2183 1 8 . 1 1 4 4 ASP N N 4 120.351 120.351 120.305 0.046 19666
2184 1 8 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.407 -0.030 19666
2185 1 8 . 1 1 4 4 ASP C C 4 177.084 177.084 177.687 -0.603 19666
2186 1 8 . 1 1 4 4 ASP CA C 4 55.908 55.908 56.101 -0.193 19666
2187 1 8 . 1 1 4 4 ASP CB C 4 41.206 41.206 40.414 0.792 19666
2188 1 8 . 1 1 4 4 ASP H H 4 8.288 8.288 8.581 -0.293 19666
2189 1 8 . 1 1 5 5 GLY N N 5 113.320 113.320 114.482 -1.162 19666
2190 1 8 . 1 1 5 5 GLY C C 5 174.205 174.205 173.953 0.252 19666
2191 1 8 . 1 1 5 5 GLY CA C 5 45.496 45.496 44.754 0.742 19666
2192 1 8 . 1 1 5 5 GLY H H 5 8.823 8.823 8.945 -0.122 19666
2193 1 8 . 1 1 6 6 ASP N N 6 121.054 121.054 121.511 -0.457 19666
2194 1 8 . 1 1 6 6 ASP HA H 6 4.641 4.641 5.103 -0.462 19666
2195 1 8 . 1 1 6 6 ASP C C 6 175.139 175.139 175.222 -0.083 19666
2196 1 8 . 1 1 6 6 ASP CA C 6 55.022 55.022 54.152 0.870 19666
2197 1 8 . 1 1 6 6 ASP CB C 6 41.095 41.095 42.610 -1.515 19666
2198 1 8 . 1 1 6 6 ASP H H 6 8.291 8.291 7.863 0.428 19666
2199 1 8 . 1 1 7 7 VAL N N 7 110.156 110.156 117.387 -7.231 19666
2200 1 8 . 1 1 7 7 VAL HA H 7 5.505 5.505 5.338 0.167 19666
2201 1 8 . 1 1 7 7 VAL C C 7 175.917 175.917 174.138 1.779 19666
2202 1 8 . 1 1 7 7 VAL CA C 7 59.486 59.486 58.671 0.815 19666
2203 1 8 . 1 1 7 7 VAL CB C 7 37.503 37.503 35.843 1.659 19666
2204 1 8 . 1 1 7 7 VAL H H 7 8.242 8.242 8.283 -0.041 19666
2205 1 8 . 1 1 8 8 GLU N N 8 119.824 119.824 121.447 -1.623 19666
2206 1 8 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.598 0.110 19666
2207 1 8 . 1 1 8 8 GLU C C 8 175.138 175.138 175.626 -0.488 19666
2208 1 8 . 1 1 8 8 GLU CA C 8 55.018 55.018 54.800 0.218 19666
2209 1 8 . 1 1 8 8 GLU CB C 8 32.660 32.660 32.438 0.222 19666
2210 1 8 . 1 1 8 8 GLU H H 8 8.428 8.428 8.808 -0.380 19666
2211 1 8 . 1 1 9 9 GLY N N 9 112.265 112.265 111.620 0.645 19666
2212 1 8 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.355 0.332 19666
2213 1 8 . 1 1 9 9 GLY H H 9 8.498 8.498 8.085 0.413 19666
2214 1 8 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.503 -0.050 19666
2215 1 8 . 1 1 10 10 PRO C C 10 175.902 175.902 176.808 -0.906 19666
2216 1 8 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.808 -0.552 19666
2217 1 8 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.189 0.123 19666
2218 1 8 . 1 1 11 11 ALA N N 11 123.340 123.340 125.152 -1.812 19666
2219 1 8 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.115 0.046 19666
2220 1 8 . 1 1 11 11 ALA C C 11 179.442 179.442 178.251 1.191 19666
2221 1 8 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.228 0.438 19666
2222 1 8 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.636 -0.734 19666
2223 1 8 . 1 1 11 11 ALA H H 11 8.424 8.424 8.436 -0.012 19666
2224 1 8 . 1 1 12 12 GLY N N 12 111.386 111.386 112.248 -0.862 19666
2225 1 8 . 1 1 12 12 GLY C C 12 174.908 174.908 175.008 -0.100 19666
2226 1 8 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.493 0.662 19666
2227 1 8 . 1 1 12 12 GLY H H 12 8.795 8.795 8.671 0.124 19666
2228 1 8 . 1 1 13 13 CYS N N 13 118.593 118.593 118.328 0.265 19666
2229 1 8 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.546 0.029 19666
2230 1 8 . 1 1 13 13 CYS C C 13 173.390 173.390 174.505 -1.115 19666
2231 1 8 . 1 1 13 13 CYS CA C 13 55.412 55.412 57.618 -2.206 19666
2232 1 8 . 1 1 13 13 CYS CB C 13 40.858 40.858 28.520 12.338 19666
2233 1 8 . 1 1 13 13 CYS H H 13 8.051 8.051 7.759 0.292 19666
2234 1 8 . 1 1 14 14 LYS N N 14 120.527 120.527 120.843 -0.316 19666
2235 1 8 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.400 0.013 19666
2236 1 8 . 1 1 14 14 LYS C C 14 174.523 174.523 175.618 -1.095 19666
2237 1 8 . 1 1 14 14 LYS CA C 14 56.695 56.695 56.451 0.244 19666
2238 1 8 . 1 1 14 14 LYS CB C 14 34.840 34.840 33.538 1.302 19666
2239 1 8 . 1 1 14 14 LYS H H 14 8.661 8.661 8.323 0.338 19666
2240 1 8 . 1 1 15 15 LYS N N 15 120.000 120.000 119.250 0.750 19666
2241 1 8 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.536 -0.491 19666
2242 1 8 . 1 1 15 15 LYS C C 15 174.446 174.446 174.816 -0.370 19666
2243 1 8 . 1 1 15 15 LYS CA C 15 55.806 55.806 54.574 1.232 19666
2244 1 8 . 1 1 15 15 LYS CB C 15 34.975 34.975 36.153 -1.178 19666
2245 1 8 . 1 1 15 15 LYS H H 15 7.335 7.335 8.290 -0.955 19666
2246 1 8 . 1 1 16 16 TYR N N 16 118.242 118.242 121.284 -3.042 19666
2247 1 8 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.144 -0.535 19666
2248 1 8 . 1 1 16 16 TYR C C 16 176.146 176.146 176.126 0.020 19666
2249 1 8 . 1 1 16 16 TYR CA C 16 59.985 59.985 60.583 -0.598 19666
2250 1 8 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.606 0.576 19666
2251 1 8 . 1 1 16 16 TYR H H 16 9.183 9.183 8.105 1.078 19666
2252 1 8 . 1 1 17 17 ASP N N 17 123.164 123.164 122.480 0.684 19666
2253 1 8 . 1 1 17 17 ASP HA H 17 4.089 4.089 4.000 0.089 19666
2254 1 8 . 1 1 17 17 ASP C C 17 174.793 174.793 174.161 0.632 19666
2255 1 8 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.355 0.028 19666
2256 1 8 . 1 1 17 17 ASP CB C 17 39.934 39.934 39.036 0.898 19666
2257 1 8 . 1 1 17 17 ASP H H 17 9.185 9.185 8.121 1.063 19666
2258 1 8 . 1 1 18 18 VAL N N 18 121.230 121.230 116.373 4.857 19666
2259 1 8 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.159 -0.190 19666
2260 1 8 . 1 1 18 18 VAL C C 18 175.615 175.615 175.164 0.451 19666
2261 1 8 . 1 1 18 18 VAL CA C 18 62.527 62.527 60.989 1.538 19666
2262 1 8 . 1 1 18 18 VAL CB C 18 31.705 31.705 35.629 -3.924 19666
2263 1 8 . 1 1 18 18 VAL H H 18 7.873 7.873 7.637 0.236 19666
2264 1 8 . 1 1 19 19 GLU N N 19 126.328 126.328 125.514 0.814 19666
2265 1 8 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.348 0.503 19666
2266 1 8 . 1 1 19 19 GLU C C 19 175.883 175.883 175.868 0.015 19666
2267 1 8 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.758 -0.331 19666
2268 1 8 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.622 -1.079 19666
2269 1 8 . 1 1 19 19 GLU H H 19 8.437 8.437 8.635 -0.198 19666
2270 1 8 . 1 1 20 20 CYS N N 20 117.715 117.715 119.672 -1.957 19666
2271 1 8 . 1 1 20 20 CYS HA H 20 4.920 4.920 4.956 -0.036 19666
2272 1 8 . 1 1 20 20 CYS C C 20 172.746 172.746 173.697 -0.951 19666
2273 1 8 . 1 1 20 20 CYS CA C 20 53.849 53.849 55.971 -2.122 19666
2274 1 8 . 1 1 20 20 CYS CB C 20 45.604 45.604 30.910 14.694 19666
2275 1 8 . 1 1 20 20 CYS H H 20 8.357 8.357 8.579 -0.222 19666
2276 1 8 . 1 1 21 21 ASP N N 21 119.297 119.297 120.677 -1.380 19666
2277 1 8 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.740 0.040 19666
2278 1 8 . 1 1 21 21 ASP C C 21 175.903 175.903 176.930 -1.027 19666
2279 1 8 . 1 1 21 21 ASP CA C 21 53.839 53.839 53.833 0.007 19666
2280 1 8 . 1 1 21 21 ASP H H 21 8.077 8.077 8.579 -0.502 19666
2281 1 8 . 1 1 22 22 SER N N 22 113.751 113.751 116.845 -3.094 19666
2282 1 8 . 1 1 22 22 SER HA H 22 4.066 4.066 4.092 -0.026 19666
2283 1 8 . 1 1 22 22 SER C C 22 175.610 175.610 175.077 0.533 19666
2284 1 8 . 1 1 22 22 SER CA C 22 59.986 59.986 58.602 1.384 19666
2285 1 8 . 1 1 22 22 SER CB C 22 63.377 63.377 62.233 1.144 19666
2286 1 8 . 1 1 22 22 SER H H 22 8.477 8.477 8.860 -0.383 19666
2287 1 8 . 1 1 23 23 GLY N N 23 112.441 112.441 107.962 4.479 19666
2288 1 8 . 1 1 23 23 GLY C C 23 175.341 175.341 174.161 1.180 19666
2289 1 8 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.811 -0.186 19666
2290 1 8 . 1 1 23 23 GLY H H 23 8.666 8.666 8.421 0.245 19666
2291 1 8 . 1 1 24 24 GLU N N 24 115.429 115.429 119.362 -3.933 19666
2292 1 8 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.576 -0.256 19666
2293 1 8 . 1 1 24 24 GLU CA C 24 56.875 56.875 55.992 0.883 19666
2294 1 8 . 1 1 24 24 GLU CB C 24 32.969 32.969 31.987 0.982 19666
2295 1 8 . 1 1 24 24 GLU H H 24 7.852 7.852 7.893 -0.041 19666
2296 1 8 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.790 0.090 19666
2297 1 8 . 1 1 25 25 CYS C C 25 175.605 175.605 175.328 0.277 19666
2298 1 8 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.395 -1.978 19666
2299 1 8 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.660 11.347 19666
2300 1 8 . 1 1 26 26 CYS N N 26 122.988 122.988 121.024 1.964 19666
2301 1 8 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.364 0.205 19666
2302 1 8 . 1 1 26 26 CYS C C 26 172.335 172.335 176.568 -4.233 19666
2303 1 8 . 1 1 26 26 CYS CA C 26 55.441 55.441 60.052 -4.611 19666
2304 1 8 . 1 1 26 26 CYS CB C 26 38.977 38.977 28.694 10.283 19666
2305 1 8 . 1 1 26 26 CYS H H 26 9.987 9.987 8.697 1.290 19666
2306 1 8 . 1 1 27 27 GLN N N 27 119.472 119.472 119.823 -0.351 19666
2307 1 8 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.072 0.084 19666
2308 1 8 . 1 1 27 27 GLN C C 27 178.958 178.958 176.909 2.049 19666
2309 1 8 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.260 1.137 19666
2310 1 8 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.230 -0.095 19666
2311 1 8 . 1 1 27 27 GLN H H 27 8.129 8.129 8.294 -0.165 19666
2312 1 8 . 1 1 28 28 LYS N N 28 111.211 111.211 114.642 -3.431 19666
2313 1 8 . 1 1 28 28 LYS HA H 28 5.398 5.398 4.912 0.486 19666
2314 1 8 . 1 1 28 28 LYS C C 28 174.506 174.506 174.653 -0.147 19666
2315 1 8 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.650 -0.933 19666
2316 1 8 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.326 2.896 19666
2317 1 8 . 1 1 28 28 LYS H H 28 7.945 7.945 7.448 0.497 19666
2318 1 8 . 1 1 29 29 GLN N N 29 120.527 120.527 119.020 1.507 19666
2319 1 8 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.376 -0.103 19666
2320 1 8 . 1 1 29 29 GLN C C 29 173.392 173.392 173.990 -0.598 19666
2321 1 8 . 1 1 29 29 GLN CA C 29 54.499 54.499 54.736 -0.237 19666
2322 1 8 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.798 -0.805 19666
2323 1 8 . 1 1 29 29 GLN H H 29 9.096 9.096 9.214 -0.118 19666
2324 1 8 . 1 1 30 30 TYR N N 30 130.371 130.371 125.519 4.852 19666
2325 1 8 . 1 1 30 30 TYR HA H 30 3.824 3.824 4.614 -0.790 19666
2326 1 8 . 1 1 30 30 TYR C C 30 173.213 173.213 173.662 -0.449 19666
2327 1 8 . 1 1 30 30 TYR CA C 30 58.018 58.018 56.466 1.552 19666
2328 1 8 . 1 1 30 30 TYR CB C 30 35.574 35.574 37.608 -2.034 19666
2329 1 8 . 1 1 30 30 TYR H H 30 8.378 8.378 8.843 -0.465 19666
2330 1 8 . 1 1 31 31 LEU N N 31 132.129 132.129 124.425 7.704 19666
2331 1 8 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.430 -0.575 19666
2332 1 8 . 1 1 31 31 LEU C C 31 174.716 174.716 176.034 -1.318 19666
2333 1 8 . 1 1 31 31 LEU CA C 31 52.890 52.890 53.668 -0.778 19666
2334 1 8 . 1 1 31 31 LEU CB C 31 46.322 46.322 45.021 1.301 19666
2335 1 8 . 1 1 31 31 LEU H H 31 8.015 8.015 8.210 -0.195 19666
2336 1 8 . 1 1 32 32 TRP N N 32 126.855 126.855 119.800 7.055 19666
2337 1 8 . 1 1 32 32 TRP HA H 32 3.674 3.674 3.835 -0.161 19666
2338 1 8 . 1 1 32 32 TRP C C 32 176.444 176.444 175.589 0.855 19666
2339 1 8 . 1 1 32 32 TRP CA C 32 57.808 57.808 57.682 0.126 19666
2340 1 8 . 1 1 32 32 TRP CB C 32 24.551 24.551 27.138 -2.587 19666
2341 1 8 . 1 1 32 32 TRP H H 32 8.835 8.835 8.415 0.420 19666
2342 1 8 . 1 1 33 33 TYR N N 33 109.453 109.453 111.491 -2.038 19666
2343 1 8 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.460 -0.019 19666
2344 1 8 . 1 1 33 33 TYR C C 33 173.802 173.802 175.008 -1.206 19666
2345 1 8 . 1 1 33 33 TYR CA C 33 59.804 59.804 58.558 1.246 19666
2346 1 8 . 1 1 33 33 TYR CB C 33 35.213 35.213 36.115 -0.902 19666
2347 1 8 . 1 1 33 33 TYR H H 33 8.021 8.021 7.780 0.241 19666
2348 1 8 . 1 1 34 34 LYS N N 34 116.660 116.660 116.802 -0.142 19666
2349 1 8 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.596 -0.181 19666
2350 1 8 . 1 1 34 34 LYS C C 34 174.545 174.545 174.030 0.515 19666
2351 1 8 . 1 1 34 34 LYS CA C 34 55.268 55.268 54.862 0.406 19666
2352 1 8 . 1 1 34 34 LYS CB C 34 37.142 37.142 36.838 0.304 19666
2353 1 8 . 1 1 34 34 LYS H H 34 6.799 6.799 7.200 -0.401 19666
2354 1 8 . 1 1 35 35 TRP N N 35 122.637 122.637 121.332 1.305 19666
2355 1 8 . 1 1 35 35 TRP HA H 35 4.565 4.565 5.402 -0.837 19666
2356 1 8 . 1 1 35 35 TRP C C 35 176.720 176.720 176.859 -0.139 19666
2357 1 8 . 1 1 35 35 TRP CA C 35 58.264 58.264 56.470 1.794 19666
2358 1 8 . 1 1 35 35 TRP CB C 35 29.346 29.346 30.014 -0.668 19666
2359 1 8 . 1 1 35 35 TRP H H 35 8.786 8.786 8.627 0.159 19666
2360 1 8 . 1 1 36 36 ARG N N 36 125.976 125.976 124.177 1.799 19666
2361 1 8 . 1 1 36 36 ARG HA H 36 5.133 5.133 5.011 0.122 19666
2362 1 8 . 1 1 36 36 ARG CA C 36 53.125 53.125 53.045 0.080 19666
2363 1 8 . 1 1 36 36 ARG CB C 36 31.094 31.094 31.449 -0.355 19666
2364 1 8 . 1 1 36 36 ARG H H 36 9.128 9.128 8.980 0.148 19666
2365 1 8 . 1 1 37 37 PRO HA H 37 5.364 5.364 4.596 0.768 19666
2366 1 8 . 1 1 37 37 PRO C C 37 175.961 175.961 175.985 -0.024 19666
2367 1 8 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.533 -0.513 19666
2368 1 8 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.696 -0.547 19666
2369 1 8 . 1 1 38 38 LEU N N 38 116.660 116.660 117.623 -0.963 19666
2370 1 8 . 1 1 38 38 LEU HA H 38 5.613 5.613 5.377 0.236 19666
2371 1 8 . 1 1 38 38 LEU C C 38 177.828 177.828 175.747 2.081 19666
2372 1 8 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.510 -1.022 19666
2373 1 8 . 1 1 38 38 LEU CB C 38 45.969 45.969 46.228 -0.259 19666
2374 1 8 . 1 1 38 38 LEU H H 38 7.047 7.047 8.424 -1.377 19666
2375 1 8 . 1 1 39 39 ASP N N 39 117.187 117.187 120.480 -3.293 19666
2376 1 8 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.925 -0.260 19666
2377 1 8 . 1 1 39 39 ASP C C 39 173.855 173.855 175.052 -1.197 19666
2378 1 8 . 1 1 39 39 ASP CA C 39 53.115 53.115 53.102 0.014 19666
2379 1 8 . 1 1 39 39 ASP CB C 39 44.870 44.870 44.385 0.485 19666
2380 1 8 . 1 1 39 39 ASP H H 39 9.136 9.136 8.458 0.678 19666
2381 1 8 . 1 1 40 40 CYS N N 40 122.812 122.812 124.276 -1.464 19666
2382 1 8 . 1 1 40 40 CYS HA H 40 4.645 4.645 4.631 0.014 19666
2383 1 8 . 1 1 40 40 CYS C C 40 173.638 173.638 174.773 -1.135 19666
2384 1 8 . 1 1 40 40 CYS CA C 40 56.149 56.149 59.368 -3.219 19666
2385 1 8 . 1 1 40 40 CYS CB C 40 38.887 38.887 25.094 13.793 19666
2386 1 8 . 1 1 40 40 CYS H H 40 8.704 8.704 8.651 0.053 19666
2387 1 8 . 1 1 41 41 ARG N N 41 131.953 131.953 125.262 6.691 19666
2388 1 8 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.550 0.136 19666
2389 1 8 . 1 1 41 41 ARG C C 41 175.082 175.082 175.252 -0.170 19666
2390 1 8 . 1 1 41 41 ARG CA C 41 54.050 54.050 54.494 -0.444 19666
2391 1 8 . 1 1 41 41 ARG CB C 41 32.462 32.462 32.674 -0.212 19666
2392 1 8 . 1 1 41 41 ARG H H 41 8.742 8.742 8.507 0.235 19666
2393 1 8 . 1 1 42 42 CYS N N 42 123.340 123.340 122.146 1.194 19666
2394 1 8 . 1 1 42 42 CYS HA H 42 5.216 5.216 4.970 0.246 19666
2395 1 8 . 1 1 42 42 CYS C C 42 174.439 174.439 174.709 -0.270 19666
2396 1 8 . 1 1 42 42 CYS CA C 42 55.531 55.531 57.928 -2.397 19666
2397 1 8 . 1 1 42 42 CYS CB C 42 44.384 44.384 26.085 18.299 19666
2398 1 8 . 1 1 42 42 CYS H H 42 8.945 8.945 8.674 0.272 19666
2399 1 8 . 1 1 43 43 LEU N N 43 125.976 125.976 125.606 0.370 19666
2400 1 8 . 1 1 43 43 LEU HA H 43 4.544 4.544 4.844 -0.300 19666
2401 1 8 . 1 1 43 43 LEU C C 43 176.723 176.723 174.450 2.273 19666
2402 1 8 . 1 1 43 43 LEU CA C 43 54.458 54.458 53.462 0.995 19666
2403 1 8 . 1 1 43 43 LEU CB C 43 43.516 43.516 44.831 -1.315 19666
2404 1 8 . 1 1 43 43 LEU H H 43 8.722 8.722 8.168 0.554 19666
2405 1 8 . 1 1 44 44 LYS N N 44 122.285 122.285 119.273 3.012 19666
2406 1 8 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.786 -0.265 19666
2407 1 8 . 1 1 44 44 LYS C C 44 176.254 176.254 176.270 -0.016 19666
2408 1 8 . 1 1 44 44 LYS CA C 44 56.395 56.395 55.818 0.577 19666
2409 1 8 . 1 1 44 44 LYS CB C 44 33.171 33.171 33.633 -0.462 19666
2410 1 8 . 1 1 44 44 LYS H H 44 8.577 8.577 8.284 0.293 19666
2411 1 8 . 1 1 45 45 SER N N 45 117.715 117.715 118.384 -0.669 19666
2412 1 8 . 1 1 45 45 SER HA H 45 4.562 4.562 4.632 -0.070 19666
2413 1 8 . 1 1 45 45 SER C C 45 174.264 174.264 175.326 -1.062 19666
2414 1 8 . 1 1 45 45 SER CA C 45 57.318 57.318 57.394 -0.076 19666
2415 1 8 . 1 1 45 45 SER CB C 45 64.221 64.221 62.959 1.262 19666
2416 1 8 . 1 1 45 45 SER H H 45 8.254 8.254 8.843 -0.589 19666
2417 1 8 . 1 1 46 46 GLY N N 46 111.386 111.386 113.743 -2.357 19666
2418 1 8 . 1 1 46 46 GLY C C 46 174.068 174.068 174.204 -0.136 19666
2419 1 8 . 1 1 46 46 GLY CA C 46 45.310 45.310 45.363 -0.053 19666
2420 1 8 . 1 1 46 46 GLY H H 46 8.405 8.405 8.792 -0.387 19666
2421 1 8 . 1 1 47 47 PHE N N 47 120.703 120.703 120.227 0.476 19666
2422 1 8 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.711 -0.347 19666
2423 1 8 . 1 1 47 47 PHE C C 47 176.313 176.313 175.738 0.575 19666
2424 1 8 . 1 1 47 47 PHE CA C 47 58.892 58.892 57.411 1.481 19666
2425 1 8 . 1 1 47 47 PHE CB C 47 39.249 39.249 39.942 -0.693 19666
2426 1 8 . 1 1 47 47 PHE H H 47 8.362 8.362 7.377 0.985 19666
2427 1 8 . 1 1 48 48 PHE N N 48 117.363 117.363 120.354 -2.991 19666
2428 1 8 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.508 0.162 19666
2429 1 8 . 1 1 48 48 PHE C C 48 175.325 175.325 176.516 -1.191 19666
2430 1 8 . 1 1 48 48 PHE CA C 48 57.687 57.687 59.597 -1.910 19666
2431 1 8 . 1 1 48 48 PHE CB C 48 39.669 39.669 39.289 0.380 19666
2432 1 8 . 1 1 48 48 PHE H H 48 8.316 8.316 8.759 -0.443 19666
2433 1 8 . 1 1 49 49 SER N N 49 114.726 114.726 116.208 -1.482 19666
2434 1 8 . 1 1 49 49 SER HA H 49 4.498 4.498 4.536 -0.038 19666
2435 1 8 . 1 1 49 49 SER C C 49 174.190 174.190 173.908 0.282 19666
2436 1 8 . 1 1 49 49 SER CA C 49 58.441 58.441 57.848 0.593 19666
2437 1 8 . 1 1 49 49 SER CB C 49 64.234 64.234 63.215 1.019 19666
2438 1 8 . 1 1 49 49 SER H H 49 7.831 7.831 8.092 -0.261 19666
2439 1 8 . 1 1 50 50 SER N N 50 117.363 117.363 122.774 -5.411 19666
2440 1 8 . 1 1 50 50 SER HA H 50 4.682 4.682 4.424 0.258 19666
2441 1 8 . 1 1 50 50 SER C C 50 173.200 173.200 174.291 -1.091 19666
2442 1 8 . 1 1 50 50 SER CA C 50 58.394 58.394 58.697 -0.303 19666
2443 1 8 . 1 1 50 50 SER CB C 50 64.843 64.843 63.857 0.986 19666
2444 1 8 . 1 1 50 50 SER H H 50 8.396 8.396 8.458 -0.062 19666
2445 1 8 . 1 1 51 51 LYS N N 51 122.812 122.812 126.954 -4.142 19666
2446 1 8 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.614 -0.086 19666
2447 1 8 . 1 1 51 51 LYS C C 51 175.239 175.239 175.478 -0.239 19666
2448 1 8 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.642 0.117 19666
2449 1 8 . 1 1 51 51 LYS CB C 51 34.450 34.450 34.778 -0.327 19666
2450 1 8 . 1 1 51 51 LYS H H 51 8.453 8.453 8.133 0.320 19666
2451 1 8 . 1 1 52 52 CYS N N 52 124.922 124.922 123.195 1.727 19666
2452 1 8 . 1 1 52 52 CYS HA H 52 5.525 5.525 5.422 0.103 19666
2453 1 8 . 1 1 52 52 CYS C C 52 174.345 174.345 174.199 0.146 19666
2454 1 8 . 1 1 52 52 CYS CA C 52 55.786 55.786 57.821 -2.034 19666
2455 1 8 . 1 1 52 52 CYS CB C 52 47.500 47.500 26.634 20.866 19666
2456 1 8 . 1 1 52 52 CYS H H 52 8.828 8.828 8.916 -0.088 19666
2457 1 8 . 1 1 53 53 VAL N N 53 117.187 117.187 117.014 0.173 19666
2458 1 8 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.709 0.302 19666
2459 1 8 . 1 1 53 53 VAL C C 53 176.396 176.396 174.263 2.133 19666
2460 1 8 . 1 1 53 53 VAL CA C 53 59.190 59.190 59.332 -0.142 19666
2461 1 8 . 1 1 53 53 VAL CB C 53 37.293 37.293 35.069 2.224 19666
2462 1 8 . 1 1 53 53 VAL H H 53 8.625 8.625 8.834 -0.209 19666
2463 1 8 . 1 1 54 54 CYS N N 54 120.703 120.703 120.479 0.224 19666
2464 1 8 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.515 0.497 19666
2465 1 8 . 1 1 54 54 CYS C C 54 175.637 175.637 174.897 0.740 19666
2466 1 8 . 1 1 54 54 CYS CA C 54 55.432 55.432 60.317 -4.885 19666
2467 1 8 . 1 1 54 54 CYS CB C 54 40.268 40.268 26.006 14.262 19666
2468 1 8 . 1 1 54 54 CYS H H 54 8.072 8.072 8.406 -0.334 19666
2469 1 8 . 1 1 55 55 ARG N N 55 124.922 124.922 121.250 3.672 19666
2470 1 8 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.708 0.145 19666
2471 1 8 . 1 1 55 55 ARG C C 55 174.029 174.029 174.300 -0.271 19666
2472 1 8 . 1 1 55 55 ARG CA C 55 53.194 53.194 54.051 -0.857 19666
2473 1 8 . 1 1 55 55 ARG CB C 55 35.049 35.049 34.730 0.319 19666
2474 1 8 . 1 1 55 55 ARG H H 55 9.378 9.378 8.781 0.597 19666
2475 1 8 . 1 1 56 56 ASP N N 56 117.011 117.011 121.240 -4.229 19666
2476 1 8 . 1 1 56 56 ASP HA H 56 5.244 5.244 5.123 0.121 19666
2477 1 8 . 1 1 56 56 ASP C C 56 175.192 175.192 175.723 -0.531 19666
2478 1 8 . 1 1 56 56 ASP CA C 56 53.525 53.525 53.720 -0.195 19666
2479 1 8 . 1 1 56 56 ASP CB C 56 39.655 39.655 41.436 -1.781 19666
2480 1 8 . 1 1 56 56 ASP H H 56 9.693 9.693 8.783 0.910 19666
2481 1 9 . 1 1 2 2 ALA N N 2 124.746 124.746 125.871 -1.125 19666
2482 1 9 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.140 0.087 19666
2483 1 9 . 1 1 2 2 ALA C C 2 176.106 176.106 176.623 -0.517 19666
2484 1 9 . 1 1 2 2 ALA CA C 2 52.504 52.504 51.862 0.642 19666
2485 1 9 . 1 1 2 2 ALA CB C 2 19.016 19.016 19.061 -0.045 19666
2486 1 9 . 1 1 2 2 ALA H H 2 8.421 8.421 7.671 0.750 19666
2487 1 9 . 1 1 3 3 LYS N N 3 120.527 120.527 119.660 0.867 19666
2488 1 9 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.340 -0.004 19666
2489 1 9 . 1 1 3 3 LYS C C 3 175.343 175.343 175.436 -0.093 19666
2490 1 9 . 1 1 3 3 LYS CA C 3 54.848 54.848 55.228 -0.380 19666
2491 1 9 . 1 1 3 3 LYS CB C 3 34.392 34.392 33.729 0.663 19666
2492 1 9 . 1 1 3 3 LYS H H 3 8.275 8.275 8.521 -0.246 19666
2493 1 9 . 1 1 4 4 ASP N N 4 120.351 120.351 119.121 1.230 19666
2494 1 9 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.458 -0.081 19666
2495 1 9 . 1 1 4 4 ASP C C 4 177.084 177.084 177.618 -0.534 19666
2496 1 9 . 1 1 4 4 ASP CA C 4 55.908 55.908 56.178 -0.270 19666
2497 1 9 . 1 1 4 4 ASP CB C 4 41.206 41.206 40.940 0.266 19666
2498 1 9 . 1 1 4 4 ASP H H 4 8.288 8.288 8.436 -0.148 19666
2499 1 9 . 1 1 5 5 GLY N N 5 113.320 113.320 113.212 0.108 19666
2500 1 9 . 1 1 5 5 GLY C C 5 174.205 174.205 174.164 0.041 19666
2501 1 9 . 1 1 5 5 GLY CA C 5 45.496 45.496 45.041 0.455 19666
2502 1 9 . 1 1 5 5 GLY H H 5 8.823 8.823 8.929 -0.106 19666
2503 1 9 . 1 1 6 6 ASP N N 6 121.054 121.054 122.137 -1.083 19666
2504 1 9 . 1 1 6 6 ASP HA H 6 4.641 4.641 5.015 -0.374 19666
2505 1 9 . 1 1 6 6 ASP C C 6 175.139 175.139 175.242 -0.103 19666
2506 1 9 . 1 1 6 6 ASP CA C 6 55.022 55.022 54.494 0.528 19666
2507 1 9 . 1 1 6 6 ASP CB C 6 41.095 41.095 42.193 -1.098 19666
2508 1 9 . 1 1 6 6 ASP H H 6 8.291 8.291 7.638 0.653 19666
2509 1 9 . 1 1 7 7 VAL N N 7 110.156 110.156 118.754 -8.598 19666
2510 1 9 . 1 1 7 7 VAL HA H 7 5.505 5.505 5.126 0.379 19666
2511 1 9 . 1 1 7 7 VAL C C 7 175.917 175.917 174.685 1.232 19666
2512 1 9 . 1 1 7 7 VAL CA C 7 59.486 59.486 59.338 0.148 19666
2513 1 9 . 1 1 7 7 VAL CB C 7 37.503 37.503 35.345 2.158 19666
2514 1 9 . 1 1 7 7 VAL H H 7 8.242 8.242 8.425 -0.183 19666
2515 1 9 . 1 1 8 8 GLU N N 8 119.824 119.824 121.241 -1.417 19666
2516 1 9 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.592 0.116 19666
2517 1 9 . 1 1 8 8 GLU C C 8 175.138 175.138 175.385 -0.247 19666
2518 1 9 . 1 1 8 8 GLU CA C 8 55.018 55.018 54.875 0.143 19666
2519 1 9 . 1 1 8 8 GLU CB C 8 32.660 32.660 33.005 -0.345 19666
2520 1 9 . 1 1 8 8 GLU H H 8 8.428 8.428 8.952 -0.524 19666
2521 1 9 . 1 1 9 9 GLY N N 9 112.265 112.265 111.034 1.231 19666
2522 1 9 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.306 0.381 19666
2523 1 9 . 1 1 9 9 GLY H H 9 8.498 8.498 8.347 0.151 19666
2524 1 9 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.508 -0.055 19666
2525 1 9 . 1 1 10 10 PRO C C 10 175.902 175.902 176.845 -0.943 19666
2526 1 9 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.798 -0.542 19666
2527 1 9 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.177 0.135 19666
2528 1 9 . 1 1 11 11 ALA N N 11 123.340 123.340 125.125 -1.785 19666
2529 1 9 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.113 0.048 19666
2530 1 9 . 1 1 11 11 ALA C C 11 179.442 179.442 178.247 1.195 19666
2531 1 9 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.248 0.418 19666
2532 1 9 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.641 -0.739 19666
2533 1 9 . 1 1 11 11 ALA H H 11 8.424 8.424 8.443 -0.019 19666
2534 1 9 . 1 1 12 12 GLY N N 12 111.386 111.386 111.638 -0.252 19666
2535 1 9 . 1 1 12 12 GLY C C 12 174.908 174.908 174.616 0.292 19666
2536 1 9 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.560 0.595 19666
2537 1 9 . 1 1 12 12 GLY H H 12 8.795 8.795 8.446 0.349 19666
2538 1 9 . 1 1 13 13 CYS N N 13 118.593 118.593 118.124 0.469 19666
2539 1 9 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.547 0.028 19666
2540 1 9 . 1 1 13 13 CYS C C 13 173.390 173.390 174.057 -0.667 19666
2541 1 9 . 1 1 13 13 CYS CA C 13 55.412 55.412 58.013 -2.601 19666
2542 1 9 . 1 1 13 13 CYS CB C 13 40.858 40.858 28.316 12.542 19666
2543 1 9 . 1 1 13 13 CYS H H 13 8.051 8.051 7.713 0.338 19666
2544 1 9 . 1 1 14 14 LYS N N 14 120.527 120.527 120.948 -0.421 19666
2545 1 9 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.538 -0.125 19666
2546 1 9 . 1 1 14 14 LYS C C 14 174.523 174.523 175.989 -1.466 19666
2547 1 9 . 1 1 14 14 LYS CA C 14 56.695 56.695 55.632 1.063 19666
2548 1 9 . 1 1 14 14 LYS CB C 14 34.840 34.840 33.602 1.238 19666
2549 1 9 . 1 1 14 14 LYS H H 14 8.661 8.661 8.366 0.295 19666
2550 1 9 . 1 1 15 15 LYS N N 15 120.000 120.000 117.717 2.283 19666
2551 1 9 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.670 -0.625 19666
2552 1 9 . 1 1 15 15 LYS C C 15 174.446 174.446 175.100 -0.654 19666
2553 1 9 . 1 1 15 15 LYS CA C 15 55.806 55.806 54.545 1.261 19666
2554 1 9 . 1 1 15 15 LYS CB C 15 34.975 34.975 36.231 -1.256 19666
2555 1 9 . 1 1 15 15 LYS H H 15 7.335 7.335 8.369 -1.034 19666
2556 1 9 . 1 1 16 16 TYR N N 16 118.242 118.242 121.604 -3.362 19666
2557 1 9 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.100 -0.491 19666
2558 1 9 . 1 1 16 16 TYR C C 16 176.146 176.146 176.118 0.028 19666
2559 1 9 . 1 1 16 16 TYR CA C 16 59.985 59.985 60.839 -0.854 19666
2560 1 9 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.705 0.477 19666
2561 1 9 . 1 1 16 16 TYR H H 16 9.183 9.183 8.229 0.954 19666
2562 1 9 . 1 1 17 17 ASP N N 17 123.164 123.164 121.792 1.372 19666
2563 1 9 . 1 1 17 17 ASP HA H 17 4.089 4.089 3.949 0.140 19666
2564 1 9 . 1 1 17 17 ASP C C 17 174.793 174.793 174.452 0.341 19666
2565 1 9 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.308 0.074 19666
2566 1 9 . 1 1 17 17 ASP CB C 17 39.934 39.934 39.030 0.904 19666
2567 1 9 . 1 1 17 17 ASP H H 17 9.185 9.185 8.145 1.040 19666
2568 1 9 . 1 1 18 18 VAL N N 18 121.230 121.230 115.865 5.365 19666
2569 1 9 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.178 -0.209 19666
2570 1 9 . 1 1 18 18 VAL C C 18 175.615 175.615 174.985 0.630 19666
2571 1 9 . 1 1 18 18 VAL CA C 18 62.527 62.527 60.208 2.319 19666
2572 1 9 . 1 1 18 18 VAL CB C 18 31.705 31.705 36.831 -5.126 19666
2573 1 9 . 1 1 18 18 VAL H H 18 7.873 7.873 7.488 0.385 19666
2574 1 9 . 1 1 19 19 GLU N N 19 126.328 126.328 124.373 1.955 19666
2575 1 9 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.527 0.324 19666
2576 1 9 . 1 1 19 19 GLU C C 19 175.883 175.883 176.225 -0.342 19666
2577 1 9 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.217 0.210 19666
2578 1 9 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.809 -1.266 19666
2579 1 9 . 1 1 19 19 GLU H H 19 8.437 8.437 8.494 -0.057 19666
2580 1 9 . 1 1 20 20 CYS N N 20 117.715 117.715 119.409 -1.694 19666
2581 1 9 . 1 1 20 20 CYS HA H 20 4.920 4.920 5.002 -0.082 19666
2582 1 9 . 1 1 20 20 CYS C C 20 172.746 172.746 173.804 -1.058 19666
2583 1 9 . 1 1 20 20 CYS CA C 20 53.849 53.849 56.070 -2.221 19666
2584 1 9 . 1 1 20 20 CYS CB C 20 45.604 45.604 30.937 14.667 19666
2585 1 9 . 1 1 20 20 CYS H H 20 8.357 8.357 8.563 -0.206 19666
2586 1 9 . 1 1 21 21 ASP N N 21 119.297 119.297 121.422 -2.125 19666
2587 1 9 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.893 -0.113 19666
2588 1 9 . 1 1 21 21 ASP C C 21 175.903 175.903 176.986 -1.083 19666
2589 1 9 . 1 1 21 21 ASP CA C 21 53.839 53.839 54.272 -0.433 19666
2590 1 9 . 1 1 21 21 ASP H H 21 8.077 8.077 8.658 -0.581 19666
2591 1 9 . 1 1 22 22 SER N N 22 113.751 113.751 117.544 -3.793 19666
2592 1 9 . 1 1 22 22 SER HA H 22 4.066 4.066 4.138 -0.072 19666
2593 1 9 . 1 1 22 22 SER C C 22 175.610 175.610 174.724 0.886 19666
2594 1 9 . 1 1 22 22 SER CA C 22 59.986 59.986 58.638 1.348 19666
2595 1 9 . 1 1 22 22 SER CB C 22 63.377 63.377 63.074 0.303 19666
2596 1 9 . 1 1 22 22 SER H H 22 8.477 8.477 8.966 -0.489 19666
2597 1 9 . 1 1 23 23 GLY N N 23 112.441 112.441 105.842 6.599 19666
2598 1 9 . 1 1 23 23 GLY C C 23 175.341 175.341 174.185 1.156 19666
2599 1 9 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.859 -0.234 19666
2600 1 9 . 1 1 23 23 GLY H H 23 8.666 8.666 8.417 0.249 19666
2601 1 9 . 1 1 24 24 GLU N N 24 115.429 115.429 119.544 -4.115 19666
2602 1 9 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.605 -0.285 19666
2603 1 9 . 1 1 24 24 GLU CA C 24 56.875 56.875 55.934 0.941 19666
2604 1 9 . 1 1 24 24 GLU CB C 24 32.969 32.969 31.209 1.760 19666
2605 1 9 . 1 1 24 24 GLU H H 24 7.852 7.852 7.705 0.147 19666
2606 1 9 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.754 0.126 19666
2607 1 9 . 1 1 25 25 CYS C C 25 175.605 175.605 175.065 0.540 19666
2608 1 9 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.561 -2.144 19666
2609 1 9 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.598 11.409 19666
2610 1 9 . 1 1 26 26 CYS N N 26 122.988 122.988 122.071 0.917 19666
2611 1 9 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.376 0.193 19666
2612 1 9 . 1 1 26 26 CYS C C 26 172.335 172.335 176.408 -4.073 19666
2613 1 9 . 1 1 26 26 CYS CA C 26 55.441 55.441 59.973 -4.532 19666
2614 1 9 . 1 1 26 26 CYS CB C 26 38.977 38.977 28.752 10.225 19666
2615 1 9 . 1 1 26 26 CYS H H 26 9.987 9.987 8.797 1.190 19666
2616 1 9 . 1 1 27 27 GLN N N 27 119.472 119.472 120.009 -0.537 19666
2617 1 9 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.091 0.065 19666
2618 1 9 . 1 1 27 27 GLN C C 27 178.958 178.958 176.909 2.049 19666
2619 1 9 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.219 1.177 19666
2620 1 9 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.270 -0.136 19666
2621 1 9 . 1 1 27 27 GLN H H 27 8.129 8.129 8.319 -0.190 19666
2622 1 9 . 1 1 28 28 LYS N N 28 111.211 111.211 114.602 -3.391 19666
2623 1 9 . 1 1 28 28 LYS HA H 28 5.398 5.398 4.856 0.542 19666
2624 1 9 . 1 1 28 28 LYS C C 28 174.506 174.506 174.568 -0.062 19666
2625 1 9 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.611 -0.894 19666
2626 1 9 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.309 2.913 19666
2627 1 9 . 1 1 28 28 LYS H H 28 7.945 7.945 7.473 0.472 19666
2628 1 9 . 1 1 29 29 GLN N N 29 120.527 120.527 118.818 1.709 19666
2629 1 9 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.218 0.055 19666
2630 1 9 . 1 1 29 29 GLN C C 29 173.392 173.392 173.763 -0.371 19666
2631 1 9 . 1 1 29 29 GLN CA C 29 54.499 54.499 55.077 -0.578 19666
2632 1 9 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.646 -0.653 19666
2633 1 9 . 1 1 29 29 GLN H H 29 9.096 9.096 9.133 -0.037 19666
2634 1 9 . 1 1 30 30 TYR N N 30 130.371 130.371 125.874 4.497 19666
2635 1 9 . 1 1 30 30 TYR HA H 30 3.824 3.824 4.244 -0.420 19666
2636 1 9 . 1 1 30 30 TYR C C 30 173.213 173.213 173.407 -0.194 19666
2637 1 9 . 1 1 30 30 TYR CA C 30 58.018 58.018 57.069 0.950 19666
2638 1 9 . 1 1 30 30 TYR CB C 30 35.574 35.574 37.576 -2.002 19666
2639 1 9 . 1 1 30 30 TYR H H 30 8.378 8.378 8.351 0.027 19666
2640 1 9 . 1 1 31 31 LEU N N 31 132.129 132.129 124.988 7.141 19666
2641 1 9 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.482 -0.627 19666
2642 1 9 . 1 1 31 31 LEU C C 31 174.716 174.716 176.204 -1.488 19666
2643 1 9 . 1 1 31 31 LEU CA C 31 52.890 52.890 53.797 -0.908 19666
2644 1 9 . 1 1 31 31 LEU CB C 31 46.322 46.322 45.254 1.068 19666
2645 1 9 . 1 1 31 31 LEU H H 31 8.015 8.015 8.467 -0.452 19666
2646 1 9 . 1 1 32 32 TRP N N 32 126.855 126.855 121.675 5.180 19666
2647 1 9 . 1 1 32 32 TRP HA H 32 3.674 3.674 4.265 -0.591 19666
2648 1 9 . 1 1 32 32 TRP C C 32 176.444 176.444 175.878 0.566 19666
2649 1 9 . 1 1 32 32 TRP CA C 32 57.808 57.808 57.606 0.202 19666
2650 1 9 . 1 1 32 32 TRP CB C 32 24.551 24.551 27.124 -2.573 19666
2651 1 9 . 1 1 32 32 TRP H H 32 8.835 8.835 8.724 0.111 19666
2652 1 9 . 1 1 33 33 TYR N N 33 109.453 109.453 113.135 -3.682 19666
2653 1 9 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.480 -0.039 19666
2654 1 9 . 1 1 33 33 TYR C C 33 173.802 173.802 174.842 -1.040 19666
2655 1 9 . 1 1 33 33 TYR CA C 33 59.804 59.804 58.743 1.061 19666
2656 1 9 . 1 1 33 33 TYR CB C 33 35.213 35.213 36.840 -1.627 19666
2657 1 9 . 1 1 33 33 TYR H H 33 8.021 8.021 8.132 -0.111 19666
2658 1 9 . 1 1 34 34 LYS N N 34 116.660 116.660 117.751 -1.091 19666
2659 1 9 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.618 -0.203 19666
2660 1 9 . 1 1 34 34 LYS C C 34 174.545 174.545 174.116 0.429 19666
2661 1 9 . 1 1 34 34 LYS CA C 34 55.268 55.268 55.062 0.206 19666
2662 1 9 . 1 1 34 34 LYS CB C 34 37.142 37.142 35.905 1.237 19666
2663 1 9 . 1 1 34 34 LYS H H 34 6.799 6.799 6.947 -0.148 19666
2664 1 9 . 1 1 35 35 TRP N N 35 122.637 122.637 124.254 -1.617 19666
2665 1 9 . 1 1 35 35 TRP HA H 35 4.565 4.565 5.148 -0.583 19666
2666 1 9 . 1 1 35 35 TRP C C 35 176.720 176.720 176.722 -0.002 19666
2667 1 9 . 1 1 35 35 TRP CA C 35 58.264 58.264 57.435 0.829 19666
2668 1 9 . 1 1 35 35 TRP CB C 35 29.346 29.346 29.485 -0.139 19666
2669 1 9 . 1 1 35 35 TRP H H 35 8.786 8.786 8.868 -0.082 19666
2670 1 9 . 1 1 36 36 ARG N N 36 125.976 125.976 124.498 1.478 19666
2671 1 9 . 1 1 36 36 ARG HA H 36 5.133 5.133 4.994 0.139 19666
2672 1 9 . 1 1 36 36 ARG CA C 36 53.125 53.125 53.082 0.043 19666
2673 1 9 . 1 1 36 36 ARG CB C 36 31.094 31.094 31.509 -0.414 19666
2674 1 9 . 1 1 36 36 ARG H H 36 9.128 9.128 9.054 0.074 19666
2675 1 9 . 1 1 37 37 PRO HA H 37 5.364 5.364 4.566 0.798 19666
2676 1 9 . 1 1 37 37 PRO C C 37 175.961 175.961 176.187 -0.226 19666
2677 1 9 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.521 -0.501 19666
2678 1 9 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.627 -0.478 19666
2679 1 9 . 1 1 38 38 LEU N N 38 116.660 116.660 118.345 -1.685 19666
2680 1 9 . 1 1 38 38 LEU HA H 38 5.613 5.613 5.340 0.273 19666
2681 1 9 . 1 1 38 38 LEU C C 38 177.828 177.828 176.105 1.723 19666
2682 1 9 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.513 -1.025 19666
2683 1 9 . 1 1 38 38 LEU CB C 38 45.969 45.969 46.005 -0.036 19666
2684 1 9 . 1 1 38 38 LEU H H 38 7.047 7.047 8.435 -1.388 19666
2685 1 9 . 1 1 39 39 ASP N N 39 117.187 117.187 121.029 -3.842 19666
2686 1 9 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.812 -0.147 19666
2687 1 9 . 1 1 39 39 ASP C C 39 173.855 173.855 174.850 -0.995 19666
2688 1 9 . 1 1 39 39 ASP CA C 39 53.115 53.115 53.245 -0.130 19666
2689 1 9 . 1 1 39 39 ASP CB C 39 44.870 44.870 44.677 0.193 19666
2690 1 9 . 1 1 39 39 ASP H H 39 9.136 9.136 8.612 0.524 19666
2691 1 9 . 1 1 40 40 CYS N N 40 122.812 122.812 123.221 -0.409 19666
2692 1 9 . 1 1 40 40 CYS HA H 40 4.645 4.645 4.755 -0.110 19666
2693 1 9 . 1 1 40 40 CYS C C 40 173.638 173.638 174.747 -1.109 19666
2694 1 9 . 1 1 40 40 CYS CA C 40 56.149 56.149 59.279 -3.130 19666
2695 1 9 . 1 1 40 40 CYS CB C 40 38.887 38.887 25.285 13.602 19666
2696 1 9 . 1 1 40 40 CYS H H 40 8.704 8.704 9.020 -0.316 19666
2697 1 9 . 1 1 41 41 ARG N N 41 131.953 131.953 125.996 5.957 19666
2698 1 9 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.697 -0.011 19666
2699 1 9 . 1 1 41 41 ARG C C 41 175.082 175.082 175.040 0.042 19666
2700 1 9 . 1 1 41 41 ARG CA C 41 54.050 54.050 53.830 0.220 19666
2701 1 9 . 1 1 41 41 ARG CB C 41 32.462 32.462 33.552 -1.090 19666
2702 1 9 . 1 1 41 41 ARG H H 41 8.742 8.742 9.044 -0.302 19666
2703 1 9 . 1 1 42 42 CYS N N 42 123.340 123.340 122.677 0.663 19666
2704 1 9 . 1 1 42 42 CYS HA H 42 5.216 5.216 4.972 0.244 19666
2705 1 9 . 1 1 42 42 CYS C C 42 174.439 174.439 174.691 -0.252 19666
2706 1 9 . 1 1 42 42 CYS CA C 42 55.531 55.531 58.464 -2.933 19666
2707 1 9 . 1 1 42 42 CYS CB C 42 44.384 44.384 25.644 18.740 19666
2708 1 9 . 1 1 42 42 CYS H H 42 8.945 8.945 8.853 0.092 19666
2709 1 9 . 1 1 43 43 LEU N N 43 125.976 125.976 124.819 1.157 19666
2710 1 9 . 1 1 43 43 LEU HA H 43 4.544 4.544 4.995 -0.451 19666
2711 1 9 . 1 1 43 43 LEU C C 43 176.723 176.723 174.848 1.875 19666
2712 1 9 . 1 1 43 43 LEU CA C 43 54.458 54.458 54.466 -0.008 19666
2713 1 9 . 1 1 43 43 LEU CB C 43 43.516 43.516 44.982 -1.466 19666
2714 1 9 . 1 1 43 43 LEU H H 43 8.722 8.722 8.308 0.414 19666
2715 1 9 . 1 1 44 44 LYS N N 44 122.285 122.285 120.300 1.985 19666
2716 1 9 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.801 -0.280 19666
2717 1 9 . 1 1 44 44 LYS C C 44 176.254 176.254 175.342 0.912 19666
2718 1 9 . 1 1 44 44 LYS CA C 44 56.395 56.395 55.320 1.075 19666
2719 1 9 . 1 1 44 44 LYS CB C 44 33.171 33.171 34.568 -1.397 19666
2720 1 9 . 1 1 44 44 LYS H H 44 8.577 8.577 8.105 0.472 19666
2721 1 9 . 1 1 45 45 SER N N 45 117.715 117.715 115.840 1.875 19666
2722 1 9 . 1 1 45 45 SER HA H 45 4.562 4.562 4.478 0.084 19666
2723 1 9 . 1 1 45 45 SER C C 45 174.264 174.264 174.604 -0.340 19666
2724 1 9 . 1 1 45 45 SER CA C 45 57.318 57.318 57.207 0.111 19666
2725 1 9 . 1 1 45 45 SER CB C 45 64.221 64.221 62.690 1.531 19666
2726 1 9 . 1 1 45 45 SER H H 45 8.254 8.254 8.744 -0.490 19666
2727 1 9 . 1 1 46 46 GLY N N 46 111.386 111.386 111.451 -0.065 19666
2728 1 9 . 1 1 46 46 GLY C C 46 174.068 174.068 174.246 -0.178 19666
2729 1 9 . 1 1 46 46 GLY CA C 46 45.310 45.310 45.945 -0.635 19666
2730 1 9 . 1 1 46 46 GLY H H 46 8.405 8.405 8.435 -0.030 19666
2731 1 9 . 1 1 47 47 PHE N N 47 120.703 120.703 116.904 3.799 19666
2732 1 9 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.252 0.112 19666
2733 1 9 . 1 1 47 47 PHE C C 47 176.313 176.313 176.482 -0.169 19666
2734 1 9 . 1 1 47 47 PHE CA C 47 58.892 58.892 56.580 2.312 19666
2735 1 9 . 1 1 47 47 PHE CB C 47 39.249 39.249 40.007 -0.757 19666
2736 1 9 . 1 1 47 47 PHE H H 47 8.362 8.362 7.611 0.751 19666
2737 1 9 . 1 1 48 48 PHE N N 48 117.363 117.363 120.136 -2.773 19666
2738 1 9 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.665 0.005 19666
2739 1 9 . 1 1 48 48 PHE C C 48 175.325 175.325 175.952 -0.627 19666
2740 1 9 . 1 1 48 48 PHE CA C 48 57.687 57.687 59.128 -1.441 19666
2741 1 9 . 1 1 48 48 PHE CB C 48 39.669 39.669 38.884 0.785 19666
2742 1 9 . 1 1 48 48 PHE H H 48 8.316 8.316 8.178 0.138 19666
2743 1 9 . 1 1 49 49 SER N N 49 114.726 114.726 116.816 -2.090 19666
2744 1 9 . 1 1 49 49 SER HA H 49 4.498 4.498 4.746 -0.248 19666
2745 1 9 . 1 1 49 49 SER C C 49 174.190 174.190 173.423 0.767 19666
2746 1 9 . 1 1 49 49 SER CA C 49 58.441 58.441 57.562 0.879 19666
2747 1 9 . 1 1 49 49 SER CB C 49 64.234 64.234 63.956 0.279 19666
2748 1 9 . 1 1 49 49 SER H H 49 7.831 7.831 8.071 -0.240 19666
2749 1 9 . 1 1 50 50 SER N N 50 117.363 117.363 120.743 -3.380 19666
2750 1 9 . 1 1 50 50 SER HA H 50 4.682 4.682 4.614 0.068 19666
2751 1 9 . 1 1 50 50 SER C C 50 173.200 173.200 174.132 -0.932 19666
2752 1 9 . 1 1 50 50 SER CA C 50 58.394 58.394 58.144 0.250 19666
2753 1 9 . 1 1 50 50 SER CB C 50 64.843 64.843 64.202 0.641 19666
2754 1 9 . 1 1 50 50 SER H H 50 8.396 8.396 8.611 -0.215 19666
2755 1 9 . 1 1 51 51 LYS N N 51 122.812 122.812 121.074 1.738 19666
2756 1 9 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.684 -0.156 19666
2757 1 9 . 1 1 51 51 LYS C C 51 175.239 175.239 174.690 0.549 19666
2758 1 9 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.628 0.131 19666
2759 1 9 . 1 1 51 51 LYS CB C 51 34.450 34.450 35.089 -0.639 19666
2760 1 9 . 1 1 51 51 LYS H H 51 8.453 8.453 8.391 0.062 19666
2761 1 9 . 1 1 52 52 CYS N N 52 124.922 124.922 120.656 4.266 19666
2762 1 9 . 1 1 52 52 CYS HA H 52 5.525 5.525 5.216 0.309 19666
2763 1 9 . 1 1 52 52 CYS C C 52 174.345 174.345 174.481 -0.136 19666
2764 1 9 . 1 1 52 52 CYS CA C 52 55.786 55.786 57.864 -2.078 19666
2765 1 9 . 1 1 52 52 CYS CB C 52 47.500 47.500 26.019 21.481 19666
2766 1 9 . 1 1 52 52 CYS H H 52 8.828 8.828 8.692 0.136 19666
2767 1 9 . 1 1 53 53 VAL N N 53 117.187 117.187 119.049 -1.862 19666
2768 1 9 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.784 0.227 19666
2769 1 9 . 1 1 53 53 VAL C C 53 176.396 176.396 174.560 1.836 19666
2770 1 9 . 1 1 53 53 VAL CA C 53 59.190 59.190 58.461 0.729 19666
2771 1 9 . 1 1 53 53 VAL CB C 53 37.293 37.293 34.163 3.130 19666
2772 1 9 . 1 1 53 53 VAL H H 53 8.625 8.625 8.413 0.212 19666
2773 1 9 . 1 1 54 54 CYS N N 54 120.703 120.703 120.689 0.014 19666
2774 1 9 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.609 0.403 19666
2775 1 9 . 1 1 54 54 CYS C C 54 175.637 175.637 174.737 0.900 19666
2776 1 9 . 1 1 54 54 CYS CA C 54 55.432 55.432 60.047 -4.615 19666
2777 1 9 . 1 1 54 54 CYS CB C 54 40.268 40.268 25.853 14.415 19666
2778 1 9 . 1 1 54 54 CYS H H 54 8.072 8.072 8.432 -0.360 19666
2779 1 9 . 1 1 55 55 ARG N N 55 124.922 124.922 122.387 2.535 19666
2780 1 9 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.886 -0.033 19666
2781 1 9 . 1 1 55 55 ARG C C 55 174.029 174.029 174.390 -0.361 19666
2782 1 9 . 1 1 55 55 ARG CA C 55 53.194 53.194 54.200 -1.006 19666
2783 1 9 . 1 1 55 55 ARG CB C 55 35.049 35.049 34.508 0.541 19666
2784 1 9 . 1 1 55 55 ARG H H 55 9.378 9.378 8.897 0.481 19666
2785 1 9 . 1 1 56 56 ASP N N 56 117.011 117.011 121.035 -4.024 19666
2786 1 9 . 1 1 56 56 ASP HA H 56 5.244 5.244 4.897 0.347 19666
2787 1 9 . 1 1 56 56 ASP C C 56 175.192 175.192 175.684 -0.492 19666
2788 1 9 . 1 1 56 56 ASP CA C 56 53.525 53.525 53.011 0.514 19666
2789 1 9 . 1 1 56 56 ASP CB C 56 39.655 39.655 40.642 -0.987 19666
2790 1 9 . 1 1 56 56 ASP H H 56 9.693 9.693 8.619 1.074 19666
2791 1 10 . 1 1 2 2 ALA N N 2 124.746 124.746 126.969 -2.223 19666
2792 1 10 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.375 -0.148 19666
2793 1 10 . 1 1 2 2 ALA C C 2 176.106 176.106 176.254 -0.148 19666
2794 1 10 . 1 1 2 2 ALA CA C 2 52.504 52.504 51.281 1.223 19666
2795 1 10 . 1 1 2 2 ALA CB C 2 19.016 19.016 20.352 -1.337 19666
2796 1 10 . 1 1 2 2 ALA H H 2 8.421 8.421 7.859 0.562 19666
2797 1 10 . 1 1 3 3 LYS N N 3 120.527 120.527 118.296 2.231 19666
2798 1 10 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.520 -0.184 19666
2799 1 10 . 1 1 3 3 LYS C C 3 175.343 175.343 175.212 0.131 19666
2800 1 10 . 1 1 3 3 LYS CA C 3 54.848 54.848 54.681 0.167 19666
2801 1 10 . 1 1 3 3 LYS CB C 3 34.392 34.392 34.049 0.343 19666
2802 1 10 . 1 1 3 3 LYS H H 3 8.275 8.275 8.401 -0.126 19666
2803 1 10 . 1 1 4 4 ASP N N 4 120.351 120.351 119.223 1.128 19666
2804 1 10 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.501 -0.124 19666
2805 1 10 . 1 1 4 4 ASP C C 4 177.084 177.084 177.684 -0.600 19666
2806 1 10 . 1 1 4 4 ASP CA C 4 55.908 55.908 55.736 0.172 19666
2807 1 10 . 1 1 4 4 ASP CB C 4 41.206 41.206 40.923 0.283 19666
2808 1 10 . 1 1 4 4 ASP H H 4 8.288 8.288 8.405 -0.117 19666
2809 1 10 . 1 1 5 5 GLY N N 5 113.320 113.320 114.758 -1.438 19666
2810 1 10 . 1 1 5 5 GLY C C 5 174.205 174.205 174.029 0.176 19666
2811 1 10 . 1 1 5 5 GLY CA C 5 45.496 45.496 44.918 0.578 19666
2812 1 10 . 1 1 5 5 GLY H H 5 8.823 8.823 8.921 -0.098 19666
2813 1 10 . 1 1 6 6 ASP N N 6 121.054 121.054 122.868 -1.814 19666
2814 1 10 . 1 1 6 6 ASP HA H 6 4.641 4.641 5.152 -0.511 19666
2815 1 10 . 1 1 6 6 ASP C C 6 175.139 175.139 175.357 -0.218 19666
2816 1 10 . 1 1 6 6 ASP CA C 6 55.022 55.022 54.059 0.963 19666
2817 1 10 . 1 1 6 6 ASP CB C 6 41.095 41.095 41.867 -0.772 19666
2818 1 10 . 1 1 6 6 ASP H H 6 8.291 8.291 7.716 0.575 19666
2819 1 10 . 1 1 7 7 VAL N N 7 110.156 110.156 118.876 -8.720 19666
2820 1 10 . 1 1 7 7 VAL HA H 7 5.505 5.505 5.028 0.477 19666
2821 1 10 . 1 1 7 7 VAL C C 7 175.917 175.917 174.636 1.281 19666
2822 1 10 . 1 1 7 7 VAL CA C 7 59.486 59.486 58.928 0.558 19666
2823 1 10 . 1 1 7 7 VAL CB C 7 37.503 37.503 34.801 2.702 19666
2824 1 10 . 1 1 7 7 VAL H H 7 8.242 8.242 8.420 -0.178 19666
2825 1 10 . 1 1 8 8 GLU N N 8 119.824 119.824 121.385 -1.561 19666
2826 1 10 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.540 0.168 19666
2827 1 10 . 1 1 8 8 GLU C C 8 175.138 175.138 175.247 -0.109 19666
2828 1 10 . 1 1 8 8 GLU CA C 8 55.018 55.018 54.998 0.021 19666
2829 1 10 . 1 1 8 8 GLU CB C 8 32.660 32.660 32.239 0.422 19666
2830 1 10 . 1 1 8 8 GLU H H 8 8.428 8.428 8.857 -0.429 19666
2831 1 10 . 1 1 9 9 GLY N N 9 112.265 112.265 112.155 0.110 19666
2832 1 10 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.340 0.346 19666
2833 1 10 . 1 1 9 9 GLY H H 9 8.498 8.498 8.082 0.415 19666
2834 1 10 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.493 -0.040 19666
2835 1 10 . 1 1 10 10 PRO C C 10 175.902 175.902 176.607 -0.705 19666
2836 1 10 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.839 -0.583 19666
2837 1 10 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.240 0.072 19666
2838 1 10 . 1 1 11 11 ALA N N 11 123.340 123.340 125.022 -1.682 19666
2839 1 10 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.128 0.033 19666
2840 1 10 . 1 1 11 11 ALA C C 11 179.442 179.442 178.184 1.258 19666
2841 1 10 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.237 0.429 19666
2842 1 10 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.673 -0.771 19666
2843 1 10 . 1 1 11 11 ALA H H 11 8.424 8.424 8.417 0.007 19666
2844 1 10 . 1 1 12 12 GLY N N 12 111.386 111.386 111.406 -0.020 19666
2845 1 10 . 1 1 12 12 GLY C C 12 174.908 174.908 174.528 0.380 19666
2846 1 10 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.511 0.644 19666
2847 1 10 . 1 1 12 12 GLY H H 12 8.795 8.795 8.483 0.312 19666
2848 1 10 . 1 1 13 13 CYS N N 13 118.593 118.593 116.673 1.920 19666
2849 1 10 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.758 -0.183 19666
2850 1 10 . 1 1 13 13 CYS C C 13 173.390 173.390 174.310 -0.920 19666
2851 1 10 . 1 1 13 13 CYS CA C 13 55.412 55.412 56.519 -1.107 19666
2852 1 10 . 1 1 13 13 CYS CB C 13 40.858 40.858 28.856 12.002 19666
2853 1 10 . 1 1 13 13 CYS H H 13 8.051 8.051 7.623 0.428 19666
2854 1 10 . 1 1 14 14 LYS N N 14 120.527 120.527 122.244 -1.717 19666
2855 1 10 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.472 -0.059 19666
2856 1 10 . 1 1 14 14 LYS C C 14 174.523 174.523 176.319 -1.796 19666
2857 1 10 . 1 1 14 14 LYS CA C 14 56.695 56.695 55.418 1.277 19666
2858 1 10 . 1 1 14 14 LYS CB C 14 34.840 34.840 32.401 2.439 19666
2859 1 10 . 1 1 14 14 LYS H H 14 8.661 8.661 8.516 0.145 19666
2860 1 10 . 1 1 15 15 LYS N N 15 120.000 120.000 123.927 -3.927 19666
2861 1 10 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.441 -0.396 19666
2862 1 10 . 1 1 15 15 LYS C C 15 174.446 174.446 175.878 -1.432 19666
2863 1 10 . 1 1 15 15 LYS CA C 15 55.806 55.806 55.402 0.404 19666
2864 1 10 . 1 1 15 15 LYS CB C 15 34.975 34.975 33.741 1.234 19666
2865 1 10 . 1 1 15 15 LYS H H 15 7.335 7.335 8.443 -1.108 19666
2866 1 10 . 1 1 16 16 TYR N N 16 118.242 118.242 120.939 -2.697 19666
2867 1 10 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.103 -0.494 19666
2868 1 10 . 1 1 16 16 TYR C C 16 176.146 176.146 176.632 -0.486 19666
2869 1 10 . 1 1 16 16 TYR CA C 16 59.985 59.985 60.752 -0.767 19666
2870 1 10 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.862 0.320 19666
2871 1 10 . 1 1 16 16 TYR H H 16 9.183 9.183 7.910 1.273 19666
2872 1 10 . 1 1 17 17 ASP N N 17 123.164 123.164 121.556 1.608 19666
2873 1 10 . 1 1 17 17 ASP HA H 17 4.089 4.089 3.959 0.130 19666
2874 1 10 . 1 1 17 17 ASP C C 17 174.793 174.793 174.041 0.752 19666
2875 1 10 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.399 -0.017 19666
2876 1 10 . 1 1 17 17 ASP CB C 17 39.934 39.934 40.087 -0.153 19666
2877 1 10 . 1 1 17 17 ASP H H 17 9.185 9.185 7.687 1.498 19666
2878 1 10 . 1 1 18 18 VAL N N 18 121.230 121.230 116.734 4.496 19666
2879 1 10 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.184 -0.215 19666
2880 1 10 . 1 1 18 18 VAL C C 18 175.615 175.615 175.012 0.603 19666
2881 1 10 . 1 1 18 18 VAL CA C 18 62.527 62.527 60.412 2.115 19666
2882 1 10 . 1 1 18 18 VAL CB C 18 31.705 31.705 35.753 -4.048 19666
2883 1 10 . 1 1 18 18 VAL H H 18 7.873 7.873 7.431 0.442 19666
2884 1 10 . 1 1 19 19 GLU N N 19 126.328 126.328 124.919 1.409 19666
2885 1 10 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.246 0.605 19666
2886 1 10 . 1 1 19 19 GLU C C 19 175.883 175.883 175.580 0.303 19666
2887 1 10 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.851 -0.424 19666
2888 1 10 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.789 -1.246 19666
2889 1 10 . 1 1 19 19 GLU H H 19 8.437 8.437 8.533 -0.096 19666
2890 1 10 . 1 1 20 20 CYS N N 20 117.715 117.715 118.761 -1.046 19666
2891 1 10 . 1 1 20 20 CYS HA H 20 4.920 4.920 4.964 -0.044 19666
2892 1 10 . 1 1 20 20 CYS C C 20 172.746 172.746 173.940 -1.194 19666
2893 1 10 . 1 1 20 20 CYS CA C 20 53.849 53.849 56.085 -2.236 19666
2894 1 10 . 1 1 20 20 CYS CB C 20 45.604 45.604 30.864 14.740 19666
2895 1 10 . 1 1 20 20 CYS H H 20 8.357 8.357 8.289 0.068 19666
2896 1 10 . 1 1 21 21 ASP N N 21 119.297 119.297 121.721 -2.424 19666
2897 1 10 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.868 -0.088 19666
2898 1 10 . 1 1 21 21 ASP C C 21 175.903 175.903 176.911 -1.008 19666
2899 1 10 . 1 1 21 21 ASP CA C 21 53.839 53.839 53.960 -0.121 19666
2900 1 10 . 1 1 21 21 ASP H H 21 8.077 8.077 8.748 -0.671 19666
2901 1 10 . 1 1 22 22 SER N N 22 113.751 113.751 117.116 -3.365 19666
2902 1 10 . 1 1 22 22 SER HA H 22 4.066 4.066 4.124 -0.058 19666
2903 1 10 . 1 1 22 22 SER C C 22 175.610 175.610 174.838 0.772 19666
2904 1 10 . 1 1 22 22 SER CA C 22 59.986 59.986 58.814 1.172 19666
2905 1 10 . 1 1 22 22 SER CB C 22 63.377 63.377 62.922 0.455 19666
2906 1 10 . 1 1 22 22 SER H H 22 8.477 8.477 8.950 -0.473 19666
2907 1 10 . 1 1 23 23 GLY N N 23 112.441 112.441 106.309 6.132 19666
2908 1 10 . 1 1 23 23 GLY C C 23 175.341 175.341 174.224 1.117 19666
2909 1 10 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.823 -0.198 19666
2910 1 10 . 1 1 23 23 GLY H H 23 8.666 8.666 8.290 0.376 19666
2911 1 10 . 1 1 24 24 GLU N N 24 115.429 115.429 119.939 -4.510 19666
2912 1 10 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.611 -0.291 19666
2913 1 10 . 1 1 24 24 GLU CA C 24 56.875 56.875 55.557 1.318 19666
2914 1 10 . 1 1 24 24 GLU CB C 24 32.969 32.969 31.393 1.575 19666
2915 1 10 . 1 1 24 24 GLU H H 24 7.852 7.852 7.879 -0.027 19666
2916 1 10 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.668 0.212 19666
2917 1 10 . 1 1 25 25 CYS C C 25 175.605 175.605 174.911 0.694 19666
2918 1 10 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.482 -2.065 19666
2919 1 10 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.758 11.249 19666
2920 1 10 . 1 1 26 26 CYS N N 26 122.988 122.988 121.293 1.695 19666
2921 1 10 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.235 0.334 19666
2922 1 10 . 1 1 26 26 CYS C C 26 172.335 172.335 176.069 -3.734 19666
2923 1 10 . 1 1 26 26 CYS CA C 26 55.441 55.441 60.827 -5.386 19666
2924 1 10 . 1 1 26 26 CYS CB C 26 38.977 38.977 28.829 10.148 19666
2925 1 10 . 1 1 26 26 CYS H H 26 9.987 9.987 8.404 1.583 19666
2926 1 10 . 1 1 27 27 GLN N N 27 119.472 119.472 119.763 -0.291 19666
2927 1 10 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.020 0.136 19666
2928 1 10 . 1 1 27 27 GLN C C 27 178.958 178.958 176.939 2.019 19666
2929 1 10 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.813 0.584 19666
2930 1 10 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.407 -0.272 19666
2931 1 10 . 1 1 27 27 GLN H H 27 8.129 8.129 8.285 -0.156 19666
2932 1 10 . 1 1 28 28 LYS N N 28 111.211 111.211 114.174 -2.963 19666
2933 1 10 . 1 1 28 28 LYS HA H 28 5.398 5.398 4.965 0.433 19666
2934 1 10 . 1 1 28 28 LYS C C 28 174.506 174.506 174.548 -0.042 19666
2935 1 10 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.549 -0.832 19666
2936 1 10 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.227 2.994 19666
2937 1 10 . 1 1 28 28 LYS H H 28 7.945 7.945 7.437 0.508 19666
2938 1 10 . 1 1 29 29 GLN N N 29 120.527 120.527 118.833 1.694 19666
2939 1 10 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.110 0.163 19666
2940 1 10 . 1 1 29 29 GLN C C 29 173.392 173.392 173.898 -0.506 19666
2941 1 10 . 1 1 29 29 GLN CA C 29 54.499 54.499 55.004 -0.505 19666
2942 1 10 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.761 -0.768 19666
2943 1 10 . 1 1 29 29 GLN H H 29 9.096 9.096 9.232 -0.136 19666
2944 1 10 . 1 1 30 30 TYR N N 30 130.371 130.371 126.053 4.318 19666
2945 1 10 . 1 1 30 30 TYR HA H 30 3.824 3.824 4.658 -0.834 19666
2946 1 10 . 1 1 30 30 TYR C C 30 173.213 173.213 174.276 -1.063 19666
2947 1 10 . 1 1 30 30 TYR CA C 30 58.018 58.018 57.023 0.996 19666
2948 1 10 . 1 1 30 30 TYR CB C 30 35.574 35.574 37.625 -2.051 19666
2949 1 10 . 1 1 30 30 TYR H H 30 8.378 8.378 8.391 -0.013 19666
2950 1 10 . 1 1 31 31 LEU N N 31 132.129 132.129 126.133 5.996 19666
2951 1 10 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.396 -0.541 19666
2952 1 10 . 1 1 31 31 LEU C C 31 174.716 174.716 176.287 -1.571 19666
2953 1 10 . 1 1 31 31 LEU CA C 31 52.890 52.890 53.500 -0.610 19666
2954 1 10 . 1 1 31 31 LEU CB C 31 46.322 46.322 44.316 2.006 19666
2955 1 10 . 1 1 31 31 LEU H H 31 8.015 8.015 8.370 -0.355 19666
2956 1 10 . 1 1 32 32 TRP N N 32 126.855 126.855 123.378 3.477 19666
2957 1 10 . 1 1 32 32 TRP HA H 32 3.674 3.674 3.819 -0.145 19666
2958 1 10 . 1 1 32 32 TRP C C 32 176.444 176.444 175.208 1.236 19666
2959 1 10 . 1 1 32 32 TRP CA C 32 57.808 57.808 57.868 -0.060 19666
2960 1 10 . 1 1 32 32 TRP CB C 32 24.551 24.551 27.983 -3.432 19666
2961 1 10 . 1 1 32 32 TRP H H 32 8.835 8.835 8.409 0.426 19666
2962 1 10 . 1 1 33 33 TYR N N 33 109.453 109.453 112.036 -2.583 19666
2963 1 10 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.356 0.085 19666
2964 1 10 . 1 1 33 33 TYR C C 33 173.802 173.802 174.664 -0.862 19666
2965 1 10 . 1 1 33 33 TYR CA C 33 59.804 59.804 58.536 1.268 19666
2966 1 10 . 1 1 33 33 TYR CB C 33 35.213 35.213 35.947 -0.734 19666
2967 1 10 . 1 1 33 33 TYR H H 33 8.021 8.021 7.654 0.367 19666
2968 1 10 . 1 1 34 34 LYS N N 34 116.660 116.660 116.902 -0.242 19666
2969 1 10 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.567 -0.152 19666
2970 1 10 . 1 1 34 34 LYS C C 34 174.545 174.545 174.068 0.477 19666
2971 1 10 . 1 1 34 34 LYS CA C 34 55.268 55.268 54.814 0.454 19666
2972 1 10 . 1 1 34 34 LYS CB C 34 37.142 37.142 36.901 0.241 19666
2973 1 10 . 1 1 34 34 LYS H H 34 6.799 6.799 7.021 -0.222 19666
2974 1 10 . 1 1 35 35 TRP N N 35 122.637 122.637 121.234 1.403 19666
2975 1 10 . 1 1 35 35 TRP HA H 35 4.565 4.565 5.343 -0.778 19666
2976 1 10 . 1 1 35 35 TRP C C 35 176.720 176.720 176.938 -0.218 19666
2977 1 10 . 1 1 35 35 TRP CA C 35 58.264 58.264 56.452 1.812 19666
2978 1 10 . 1 1 35 35 TRP CB C 35 29.346 29.346 29.989 -0.643 19666
2979 1 10 . 1 1 35 35 TRP H H 35 8.786 8.786 8.701 0.085 19666
2980 1 10 . 1 1 36 36 ARG N N 36 125.976 125.976 124.441 1.535 19666
2981 1 10 . 1 1 36 36 ARG HA H 36 5.133 5.133 5.044 0.089 19666
2982 1 10 . 1 1 36 36 ARG CA C 36 53.125 53.125 53.120 0.005 19666
2983 1 10 . 1 1 36 36 ARG CB C 36 31.094 31.094 31.503 -0.409 19666
2984 1 10 . 1 1 36 36 ARG H H 36 9.128 9.128 9.052 0.076 19666
2985 1 10 . 1 1 37 37 PRO HA H 37 5.364 5.364 4.624 0.740 19666
2986 1 10 . 1 1 37 37 PRO C C 37 175.961 175.961 176.095 -0.134 19666
2987 1 10 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.571 -0.551 19666
2988 1 10 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.714 -0.565 19666
2989 1 10 . 1 1 38 38 LEU N N 38 116.660 116.660 117.711 -1.051 19666
2990 1 10 . 1 1 38 38 LEU HA H 38 5.613 5.613 5.036 0.577 19666
2991 1 10 . 1 1 38 38 LEU C C 38 177.828 177.828 175.855 1.973 19666
2992 1 10 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.799 -1.311 19666
2993 1 10 . 1 1 38 38 LEU CB C 38 45.969 45.969 46.293 -0.324 19666
2994 1 10 . 1 1 38 38 LEU H H 38 7.047 7.047 8.424 -1.377 19666
2995 1 10 . 1 1 39 39 ASP N N 39 117.187 117.187 120.042 -2.855 19666
2996 1 10 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.875 -0.210 19666
2997 1 10 . 1 1 39 39 ASP C C 39 173.855 173.855 175.539 -1.684 19666
2998 1 10 . 1 1 39 39 ASP CA C 39 53.115 53.115 53.882 -0.767 19666
2999 1 10 . 1 1 39 39 ASP CB C 39 44.870 44.870 44.003 0.867 19666
3000 1 10 . 1 1 39 39 ASP H H 39 9.136 9.136 8.351 0.785 19666
3001 1 10 . 1 1 40 40 CYS N N 40 122.812 122.812 124.948 -2.136 19666
3002 1 10 . 1 1 40 40 CYS HA H 40 4.645 4.645 4.520 0.125 19666
3003 1 10 . 1 1 40 40 CYS C C 40 173.638 173.638 174.682 -1.044 19666
3004 1 10 . 1 1 40 40 CYS CA C 40 56.149 56.149 60.154 -4.005 19666
3005 1 10 . 1 1 40 40 CYS CB C 40 38.887 38.887 25.359 13.528 19666
3006 1 10 . 1 1 40 40 CYS H H 40 8.704 8.704 8.691 0.013 19666
3007 1 10 . 1 1 41 41 ARG N N 41 131.953 131.953 126.617 5.336 19666
3008 1 10 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.705 -0.019 19666
3009 1 10 . 1 1 41 41 ARG C C 41 175.082 175.082 175.091 -0.009 19666
3010 1 10 . 1 1 41 41 ARG CA C 41 54.050 54.050 53.570 0.480 19666
3011 1 10 . 1 1 41 41 ARG CB C 41 32.462 32.462 33.836 -1.374 19666
3012 1 10 . 1 1 41 41 ARG H H 41 8.742 8.742 9.038 -0.296 19666
3013 1 10 . 1 1 42 42 CYS N N 42 123.340 123.340 122.107 1.233 19666
3014 1 10 . 1 1 42 42 CYS HA H 42 5.216 5.216 4.903 0.313 19666
3015 1 10 . 1 1 42 42 CYS C C 42 174.439 174.439 174.475 -0.036 19666
3016 1 10 . 1 1 42 42 CYS CA C 42 55.531 55.531 58.438 -2.907 19666
3017 1 10 . 1 1 42 42 CYS CB C 42 44.384 44.384 25.708 18.676 19666
3018 1 10 . 1 1 42 42 CYS H H 42 8.945 8.945 8.736 0.209 19666
3019 1 10 . 1 1 43 43 LEU N N 43 125.976 125.976 124.698 1.278 19666
3020 1 10 . 1 1 43 43 LEU HA H 43 4.544 4.544 4.796 -0.252 19666
3021 1 10 . 1 1 43 43 LEU C C 43 176.723 176.723 175.539 1.184 19666
3022 1 10 . 1 1 43 43 LEU CA C 43 54.458 54.458 54.174 0.284 19666
3023 1 10 . 1 1 43 43 LEU CB C 43 43.516 43.516 44.527 -1.011 19666
3024 1 10 . 1 1 43 43 LEU H H 43 8.722 8.722 7.958 0.764 19666
3025 1 10 . 1 1 44 44 LYS N N 44 122.285 122.285 121.695 0.590 19666
3026 1 10 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.652 -0.131 19666
3027 1 10 . 1 1 44 44 LYS C C 44 176.254 176.254 176.133 0.121 19666
3028 1 10 . 1 1 44 44 LYS CA C 44 56.395 56.395 55.994 0.401 19666
3029 1 10 . 1 1 44 44 LYS CB C 44 33.171 33.171 33.259 -0.088 19666
3030 1 10 . 1 1 44 44 LYS H H 44 8.577 8.577 8.395 0.182 19666
3031 1 10 . 1 1 45 45 SER N N 45 117.715 117.715 120.665 -2.950 19666
3032 1 10 . 1 1 45 45 SER HA H 45 4.562 4.562 4.467 0.095 19666
3033 1 10 . 1 1 45 45 SER C C 45 174.264 174.264 174.743 -0.479 19666
3034 1 10 . 1 1 45 45 SER CA C 45 57.318 57.318 57.607 -0.289 19666
3035 1 10 . 1 1 45 45 SER CB C 45 64.221 64.221 62.234 1.987 19666
3036 1 10 . 1 1 45 45 SER H H 45 8.254 8.254 8.826 -0.572 19666
3037 1 10 . 1 1 46 46 GLY N N 46 111.386 111.386 115.678 -4.292 19666
3038 1 10 . 1 1 46 46 GLY C C 46 174.068 174.068 174.076 -0.008 19666
3039 1 10 . 1 1 46 46 GLY CA C 46 45.310 45.310 45.083 0.227 19666
3040 1 10 . 1 1 46 46 GLY H H 46 8.405 8.405 8.435 -0.030 19666
3041 1 10 . 1 1 47 47 PHE N N 47 120.703 120.703 121.101 -0.398 19666
3042 1 10 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.622 -0.258 19666
3043 1 10 . 1 1 47 47 PHE C C 47 176.313 176.313 176.806 -0.493 19666
3044 1 10 . 1 1 47 47 PHE CA C 47 58.892 58.892 56.406 2.486 19666
3045 1 10 . 1 1 47 47 PHE CB C 47 39.249 39.249 38.982 0.267 19666
3046 1 10 . 1 1 47 47 PHE H H 47 8.362 8.362 6.927 1.435 19666
3047 1 10 . 1 1 48 48 PHE N N 48 117.363 117.363 116.905 0.458 19666
3048 1 10 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.793 -0.123 19666
3049 1 10 . 1 1 48 48 PHE C C 48 175.325 175.325 176.233 -0.908 19666
3050 1 10 . 1 1 48 48 PHE CA C 48 57.687 57.687 58.662 -0.975 19666
3051 1 10 . 1 1 48 48 PHE CB C 48 39.669 39.669 38.587 1.082 19666
3052 1 10 . 1 1 48 48 PHE H H 48 8.316 8.316 7.993 0.323 19666
3053 1 10 . 1 1 49 49 SER N N 49 114.726 114.726 118.465 -3.739 19666
3054 1 10 . 1 1 49 49 SER HA H 49 4.498 4.498 4.543 -0.045 19666
3055 1 10 . 1 1 49 49 SER C C 49 174.190 174.190 173.855 0.335 19666
3056 1 10 . 1 1 49 49 SER CA C 49 58.441 58.441 58.137 0.304 19666
3057 1 10 . 1 1 49 49 SER CB C 49 64.234 64.234 62.637 1.597 19666
3058 1 10 . 1 1 49 49 SER H H 49 7.831 7.831 7.243 0.588 19666
3059 1 10 . 1 1 50 50 SER N N 50 117.363 117.363 120.737 -3.374 19666
3060 1 10 . 1 1 50 50 SER HA H 50 4.682 4.682 4.414 0.268 19666
3061 1 10 . 1 1 50 50 SER C C 50 173.200 173.200 174.179 -0.979 19666
3062 1 10 . 1 1 50 50 SER CA C 50 58.394 58.394 58.564 -0.170 19666
3063 1 10 . 1 1 50 50 SER CB C 50 64.843 64.843 63.689 1.154 19666
3064 1 10 . 1 1 50 50 SER H H 50 8.396 8.396 8.428 -0.032 19666
3065 1 10 . 1 1 51 51 LYS N N 51 122.812 122.812 125.990 -3.178 19666
3066 1 10 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.519 0.009 19666
3067 1 10 . 1 1 51 51 LYS C C 51 175.239 175.239 175.403 -0.164 19666
3068 1 10 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.219 0.540 19666
3069 1 10 . 1 1 51 51 LYS CB C 51 34.450 34.450 34.799 -0.349 19666
3070 1 10 . 1 1 51 51 LYS H H 51 8.453 8.453 8.225 0.228 19666
3071 1 10 . 1 1 52 52 CYS N N 52 124.922 124.922 122.619 2.303 19666
3072 1 10 . 1 1 52 52 CYS HA H 52 5.525 5.525 5.370 0.155 19666
3073 1 10 . 1 1 52 52 CYS C C 52 174.345 174.345 174.527 -0.182 19666
3074 1 10 . 1 1 52 52 CYS CA C 52 55.786 55.786 57.927 -2.141 19666
3075 1 10 . 1 1 52 52 CYS CB C 52 47.500 47.500 26.239 21.261 19666
3076 1 10 . 1 1 52 52 CYS H H 52 8.828 8.828 8.826 0.002 19666
3077 1 10 . 1 1 53 53 VAL N N 53 117.187 117.187 119.061 -1.874 19666
3078 1 10 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.531 0.480 19666
3079 1 10 . 1 1 53 53 VAL C C 53 176.396 176.396 174.303 2.093 19666
3080 1 10 . 1 1 53 53 VAL CA C 53 59.190 59.190 59.622 -0.432 19666
3081 1 10 . 1 1 53 53 VAL CB C 53 37.293 37.293 35.044 2.249 19666
3082 1 10 . 1 1 53 53 VAL H H 53 8.625 8.625 8.583 0.042 19666
3083 1 10 . 1 1 54 54 CYS N N 54 120.703 120.703 121.690 -0.987 19666
3084 1 10 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.560 0.452 19666
3085 1 10 . 1 1 54 54 CYS C C 54 175.637 175.637 174.729 0.908 19666
3086 1 10 . 1 1 54 54 CYS CA C 54 55.432 55.432 60.581 -5.149 19666
3087 1 10 . 1 1 54 54 CYS CB C 54 40.268 40.268 24.956 15.312 19666
3088 1 10 . 1 1 54 54 CYS H H 54 8.072 8.072 8.135 -0.063 19666
3089 1 10 . 1 1 55 55 ARG N N 55 124.922 124.922 124.738 0.184 19666
3090 1 10 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.864 -0.011 19666
3091 1 10 . 1 1 55 55 ARG C C 55 174.029 174.029 174.493 -0.464 19666
3092 1 10 . 1 1 55 55 ARG CA C 55 53.194 53.194 53.605 -0.411 19666
3093 1 10 . 1 1 55 55 ARG CB C 55 35.049 35.049 33.945 1.104 19666
3094 1 10 . 1 1 55 55 ARG H H 55 9.378 9.378 8.777 0.601 19666
3095 1 10 . 1 1 56 56 ASP N N 56 117.011 117.011 122.375 -5.364 19666
3096 1 10 . 1 1 56 56 ASP HA H 56 5.244 5.244 4.915 0.329 19666
3097 1 10 . 1 1 56 56 ASP C C 56 175.192 175.192 175.683 -0.491 19666
3098 1 10 . 1 1 56 56 ASP CA C 56 53.525 53.525 54.074 -0.549 19666
3099 1 10 . 1 1 56 56 ASP CB C 56 39.655 39.655 40.853 -1.198 19666
3100 1 10 . 1 1 56 56 ASP H H 56 9.693 9.693 8.632 1.061 19666
3101 1 11 . 1 1 2 2 ALA N N 2 124.746 124.746 127.449 -2.703 19666
3102 1 11 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.208 0.019 19666
3103 1 11 . 1 1 2 2 ALA C C 2 176.106 176.106 176.179 -0.073 19666
3104 1 11 . 1 1 2 2 ALA CA C 2 52.504 52.504 52.308 0.196 19666
3105 1 11 . 1 1 2 2 ALA CB C 2 19.016 19.016 19.085 -0.069 19666
3106 1 11 . 1 1 2 2 ALA H H 2 8.421 8.421 8.194 0.227 19666
3107 1 11 . 1 1 3 3 LYS N N 3 120.527 120.527 119.903 0.624 19666
3108 1 11 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.396 -0.060 19666
3109 1 11 . 1 1 3 3 LYS C C 3 175.343 175.343 175.433 -0.090 19666
3110 1 11 . 1 1 3 3 LYS CA C 3 54.848 54.848 54.851 -0.003 19666
3111 1 11 . 1 1 3 3 LYS CB C 3 34.392 34.392 34.897 -0.505 19666
3112 1 11 . 1 1 3 3 LYS H H 3 8.275 8.275 8.551 -0.276 19666
3113 1 11 . 1 1 4 4 ASP N N 4 120.351 120.351 120.908 -0.557 19666
3114 1 11 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.308 0.069 19666
3115 1 11 . 1 1 4 4 ASP C C 4 177.084 177.084 177.322 -0.238 19666
3116 1 11 . 1 1 4 4 ASP CA C 4 55.908 55.908 55.680 0.228 19666
3117 1 11 . 1 1 4 4 ASP CB C 4 41.206 41.206 40.442 0.764 19666
3118 1 11 . 1 1 4 4 ASP H H 4 8.288 8.288 8.390 -0.102 19666
3119 1 11 . 1 1 5 5 GLY N N 5 113.320 113.320 114.851 -1.531 19666
3120 1 11 . 1 1 5 5 GLY C C 5 174.205 174.205 173.420 0.785 19666
3121 1 11 . 1 1 5 5 GLY CA C 5 45.496 45.496 44.718 0.778 19666
3122 1 11 . 1 1 5 5 GLY H H 5 8.823 8.823 8.816 0.007 19666
3123 1 11 . 1 1 6 6 ASP N N 6 121.054 121.054 120.825 0.229 19666
3124 1 11 . 1 1 6 6 ASP HA H 6 4.641 4.641 5.126 -0.485 19666
3125 1 11 . 1 1 6 6 ASP C C 6 175.139 175.139 175.087 0.052 19666
3126 1 11 . 1 1 6 6 ASP CA C 6 55.022 55.022 54.006 1.016 19666
3127 1 11 . 1 1 6 6 ASP CB C 6 41.095 41.095 43.032 -1.938 19666
3128 1 11 . 1 1 6 6 ASP H H 6 8.291 8.291 7.667 0.624 19666
3129 1 11 . 1 1 7 7 VAL N N 7 110.156 110.156 117.654 -7.498 19666
3130 1 11 . 1 1 7 7 VAL HA H 7 5.505 5.505 5.266 0.239 19666
3131 1 11 . 1 1 7 7 VAL C C 7 175.917 175.917 174.335 1.582 19666
3132 1 11 . 1 1 7 7 VAL CA C 7 59.486 59.486 59.452 0.034 19666
3133 1 11 . 1 1 7 7 VAL CB C 7 37.503 37.503 36.054 1.449 19666
3134 1 11 . 1 1 7 7 VAL H H 7 8.242 8.242 8.276 -0.034 19666
3135 1 11 . 1 1 8 8 GLU N N 8 119.824 119.824 121.617 -1.793 19666
3136 1 11 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.720 -0.012 19666
3137 1 11 . 1 1 8 8 GLU C C 8 175.138 175.138 175.723 -0.585 19666
3138 1 11 . 1 1 8 8 GLU CA C 8 55.018 55.018 54.682 0.336 19666
3139 1 11 . 1 1 8 8 GLU CB C 8 32.660 32.660 33.281 -0.621 19666
3140 1 11 . 1 1 8 8 GLU H H 8 8.428 8.428 8.911 -0.483 19666
3141 1 11 . 1 1 9 9 GLY N N 9 112.265 112.265 111.118 1.147 19666
3142 1 11 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.473 0.214 19666
3143 1 11 . 1 1 9 9 GLY H H 9 8.498 8.498 8.057 0.441 19666
3144 1 11 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.506 -0.053 19666
3145 1 11 . 1 1 10 10 PRO C C 10 175.902 175.902 176.823 -0.921 19666
3146 1 11 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.815 -0.559 19666
3147 1 11 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.185 0.126 19666
3148 1 11 . 1 1 11 11 ALA N N 11 123.340 123.340 125.139 -1.799 19666
3149 1 11 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.117 0.044 19666
3150 1 11 . 1 1 11 11 ALA C C 11 179.442 179.442 178.252 1.190 19666
3151 1 11 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.246 0.420 19666
3152 1 11 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.618 -0.716 19666
3153 1 11 . 1 1 11 11 ALA H H 11 8.424 8.424 8.444 -0.020 19666
3154 1 11 . 1 1 12 12 GLY N N 12 111.386 111.386 111.987 -0.601 19666
3155 1 11 . 1 1 12 12 GLY C C 12 174.908 174.908 175.041 -0.133 19666
3156 1 11 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.491 0.664 19666
3157 1 11 . 1 1 12 12 GLY H H 12 8.795 8.795 8.627 0.168 19666
3158 1 11 . 1 1 13 13 CYS N N 13 118.593 118.593 117.248 1.345 19666
3159 1 11 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.526 0.049 19666
3160 1 11 . 1 1 13 13 CYS C C 13 173.390 173.390 174.489 -1.099 19666
3161 1 11 . 1 1 13 13 CYS CA C 13 55.412 55.412 57.964 -2.552 19666
3162 1 11 . 1 1 13 13 CYS CB C 13 40.858 40.858 28.633 12.226 19666
3163 1 11 . 1 1 13 13 CYS H H 13 8.051 8.051 7.762 0.289 19666
3164 1 11 . 1 1 14 14 LYS N N 14 120.527 120.527 121.645 -1.118 19666
3165 1 11 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.465 -0.052 19666
3166 1 11 . 1 1 14 14 LYS C C 14 174.523 174.523 175.444 -0.921 19666
3167 1 11 . 1 1 14 14 LYS CA C 14 56.695 56.695 56.028 0.667 19666
3168 1 11 . 1 1 14 14 LYS CB C 14 34.840 34.840 33.404 1.436 19666
3169 1 11 . 1 1 14 14 LYS H H 14 8.661 8.661 8.131 0.530 19666
3170 1 11 . 1 1 15 15 LYS N N 15 120.000 120.000 118.623 1.377 19666
3171 1 11 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.627 -0.582 19666
3172 1 11 . 1 1 15 15 LYS C C 15 174.446 174.446 174.990 -0.544 19666
3173 1 11 . 1 1 15 15 LYS CA C 15 55.806 55.806 54.429 1.377 19666
3174 1 11 . 1 1 15 15 LYS CB C 15 34.975 34.975 36.083 -1.108 19666
3175 1 11 . 1 1 15 15 LYS H H 15 7.335 7.335 8.208 -0.873 19666
3176 1 11 . 1 1 16 16 TYR N N 16 118.242 118.242 121.839 -3.597 19666
3177 1 11 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.070 -0.461 19666
3178 1 11 . 1 1 16 16 TYR C C 16 176.146 176.146 176.025 0.121 19666
3179 1 11 . 1 1 16 16 TYR CA C 16 59.985 59.985 61.181 -1.196 19666
3180 1 11 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.807 0.375 19666
3181 1 11 . 1 1 16 16 TYR H H 16 9.183 9.183 8.240 0.943 19666
3182 1 11 . 1 1 17 17 ASP N N 17 123.164 123.164 121.683 1.481 19666
3183 1 11 . 1 1 17 17 ASP HA H 17 4.089 4.089 3.928 0.161 19666
3184 1 11 . 1 1 17 17 ASP C C 17 174.793 174.793 174.432 0.361 19666
3185 1 11 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.281 0.101 19666
3186 1 11 . 1 1 17 17 ASP CB C 17 39.934 39.934 39.019 0.915 19666
3187 1 11 . 1 1 17 17 ASP H H 17 9.185 9.185 8.030 1.155 19666
3188 1 11 . 1 1 18 18 VAL N N 18 121.230 121.230 115.972 5.258 19666
3189 1 11 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.196 -0.227 19666
3190 1 11 . 1 1 18 18 VAL C C 18 175.615 175.615 175.043 0.572 19666
3191 1 11 . 1 1 18 18 VAL CA C 18 62.527 62.527 60.142 2.385 19666
3192 1 11 . 1 1 18 18 VAL CB C 18 31.705 31.705 36.723 -5.018 19666
3193 1 11 . 1 1 18 18 VAL H H 18 7.873 7.873 7.518 0.355 19666
3194 1 11 . 1 1 19 19 GLU N N 19 126.328 126.328 124.069 2.259 19666
3195 1 11 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.441 0.410 19666
3196 1 11 . 1 1 19 19 GLU C C 19 175.883 175.883 176.090 -0.207 19666
3197 1 11 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.571 -0.144 19666
3198 1 11 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.765 -1.222 19666
3199 1 11 . 1 1 19 19 GLU H H 19 8.437 8.437 8.509 -0.072 19666
3200 1 11 . 1 1 20 20 CYS N N 20 117.715 117.715 120.247 -2.532 19666
3201 1 11 . 1 1 20 20 CYS HA H 20 4.920 4.920 5.044 -0.124 19666
3202 1 11 . 1 1 20 20 CYS C C 20 172.746 172.746 173.709 -0.963 19666
3203 1 11 . 1 1 20 20 CYS CA C 20 53.849 53.849 55.698 -1.849 19666
3204 1 11 . 1 1 20 20 CYS CB C 20 45.604 45.604 30.787 14.817 19666
3205 1 11 . 1 1 20 20 CYS H H 20 8.357 8.357 8.580 -0.223 19666
3206 1 11 . 1 1 21 21 ASP N N 21 119.297 119.297 121.872 -2.575 19666
3207 1 11 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.850 -0.070 19666
3208 1 11 . 1 1 21 21 ASP C C 21 175.903 175.903 177.014 -1.111 19666
3209 1 11 . 1 1 21 21 ASP CA C 21 53.839 53.839 53.522 0.317 19666
3210 1 11 . 1 1 21 21 ASP H H 21 8.077 8.077 8.640 -0.563 19666
3211 1 11 . 1 1 22 22 SER N N 22 113.751 113.751 119.529 -5.778 19666
3212 1 11 . 1 1 22 22 SER HA H 22 4.066 4.066 4.155 -0.089 19666
3213 1 11 . 1 1 22 22 SER C C 22 175.610 175.610 174.632 0.978 19666
3214 1 11 . 1 1 22 22 SER CA C 22 59.986 59.986 58.333 1.653 19666
3215 1 11 . 1 1 22 22 SER CB C 22 63.377 63.377 62.861 0.516 19666
3216 1 11 . 1 1 22 22 SER H H 22 8.477 8.477 9.052 -0.575 19666
3217 1 11 . 1 1 23 23 GLY N N 23 112.441 112.441 106.904 5.537 19666
3218 1 11 . 1 1 23 23 GLY C C 23 175.341 175.341 174.083 1.258 19666
3219 1 11 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.773 -0.148 19666
3220 1 11 . 1 1 23 23 GLY H H 23 8.666 8.666 8.383 0.283 19666
3221 1 11 . 1 1 24 24 GLU N N 24 115.429 115.429 119.814 -4.385 19666
3222 1 11 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.508 -0.188 19666
3223 1 11 . 1 1 24 24 GLU CA C 24 56.875 56.875 55.779 1.096 19666
3224 1 11 . 1 1 24 24 GLU CB C 24 32.969 32.969 31.263 1.706 19666
3225 1 11 . 1 1 24 24 GLU H H 24 7.852 7.852 7.851 0.001 19666
3226 1 11 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.735 0.145 19666
3227 1 11 . 1 1 25 25 CYS C C 25 175.605 175.605 175.090 0.515 19666
3228 1 11 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.409 -1.992 19666
3229 1 11 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.532 11.475 19666
3230 1 11 . 1 1 26 26 CYS N N 26 122.988 122.988 121.965 1.023 19666
3231 1 11 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.253 0.316 19666
3232 1 11 . 1 1 26 26 CYS C C 26 172.335 172.335 176.098 -3.763 19666
3233 1 11 . 1 1 26 26 CYS CA C 26 55.441 55.441 60.420 -4.979 19666
3234 1 11 . 1 1 26 26 CYS CB C 26 38.977 38.977 28.984 9.993 19666
3235 1 11 . 1 1 26 26 CYS H H 26 9.987 9.987 8.804 1.183 19666
3236 1 11 . 1 1 27 27 GLN N N 27 119.472 119.472 120.270 -0.798 19666
3237 1 11 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.045 0.111 19666
3238 1 11 . 1 1 27 27 GLN C C 27 178.958 178.958 176.912 2.046 19666
3239 1 11 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.650 0.747 19666
3240 1 11 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.479 -0.345 19666
3241 1 11 . 1 1 27 27 GLN H H 27 8.129 8.129 8.310 -0.181 19666
3242 1 11 . 1 1 28 28 LYS N N 28 111.211 111.211 114.481 -3.270 19666
3243 1 11 . 1 1 28 28 LYS HA H 28 5.398 5.398 4.854 0.544 19666
3244 1 11 . 1 1 28 28 LYS C C 28 174.506 174.506 174.271 0.235 19666
3245 1 11 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.683 -0.966 19666
3246 1 11 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.231 2.991 19666
3247 1 11 . 1 1 28 28 LYS H H 28 7.945 7.945 7.490 0.455 19666
3248 1 11 . 1 1 29 29 GLN N N 29 120.527 120.527 119.547 0.980 19666
3249 1 11 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.180 0.093 19666
3250 1 11 . 1 1 29 29 GLN C C 29 173.392 173.392 173.993 -0.601 19666
3251 1 11 . 1 1 29 29 GLN CA C 29 54.499 54.499 55.041 -0.542 19666
3252 1 11 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.461 -0.468 19666
3253 1 11 . 1 1 29 29 GLN H H 29 9.096 9.096 9.130 -0.034 19666
3254 1 11 . 1 1 30 30 TYR N N 30 130.371 130.371 127.287 3.084 19666
3255 1 11 . 1 1 30 30 TYR HA H 30 3.824 3.824 4.014 -0.190 19666
3256 1 11 . 1 1 30 30 TYR C C 30 173.213 173.213 173.319 -0.106 19666
3257 1 11 . 1 1 30 30 TYR CA C 30 58.018 58.018 58.092 -0.074 19666
3258 1 11 . 1 1 30 30 TYR CB C 30 35.574 35.574 37.569 -1.995 19666
3259 1 11 . 1 1 30 30 TYR H H 30 8.378 8.378 8.513 -0.135 19666
3260 1 11 . 1 1 31 31 LEU N N 31 132.129 132.129 125.531 6.598 19666
3261 1 11 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.467 -0.612 19666
3262 1 11 . 1 1 31 31 LEU C C 31 174.716 174.716 175.744 -1.028 19666
3263 1 11 . 1 1 31 31 LEU CA C 31 52.890 52.890 53.815 -0.925 19666
3264 1 11 . 1 1 31 31 LEU CB C 31 46.322 46.322 45.551 0.771 19666
3265 1 11 . 1 1 31 31 LEU H H 31 8.015 8.015 8.347 -0.332 19666
3266 1 11 . 1 1 32 32 TRP N N 32 126.855 126.855 120.751 6.104 19666
3267 1 11 . 1 1 32 32 TRP HA H 32 3.674 3.674 4.233 -0.559 19666
3268 1 11 . 1 1 32 32 TRP C C 32 176.444 176.444 175.798 0.646 19666
3269 1 11 . 1 1 32 32 TRP CA C 32 57.808 57.808 57.666 0.141 19666
3270 1 11 . 1 1 32 32 TRP CB C 32 24.551 24.551 26.983 -2.432 19666
3271 1 11 . 1 1 32 32 TRP H H 32 8.835 8.835 8.556 0.279 19666
3272 1 11 . 1 1 33 33 TYR N N 33 109.453 109.453 112.653 -3.200 19666
3273 1 11 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.438 0.003 19666
3274 1 11 . 1 1 33 33 TYR C C 33 173.802 173.802 174.646 -0.844 19666
3275 1 11 . 1 1 33 33 TYR CA C 33 59.804 59.804 59.042 0.762 19666
3276 1 11 . 1 1 33 33 TYR CB C 33 35.213 35.213 37.097 -1.884 19666
3277 1 11 . 1 1 33 33 TYR H H 33 8.021 8.021 7.991 0.030 19666
3278 1 11 . 1 1 34 34 LYS N N 34 116.660 116.660 117.765 -1.105 19666
3279 1 11 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.564 -0.149 19666
3280 1 11 . 1 1 34 34 LYS C C 34 174.545 174.545 174.396 0.149 19666
3281 1 11 . 1 1 34 34 LYS CA C 34 55.268 55.268 55.589 -0.321 19666
3282 1 11 . 1 1 34 34 LYS CB C 34 37.142 37.142 36.521 0.621 19666
3283 1 11 . 1 1 34 34 LYS H H 34 6.799 6.799 6.677 0.122 19666
3284 1 11 . 1 1 35 35 TRP N N 35 122.637 122.637 124.456 -1.819 19666
3285 1 11 . 1 1 35 35 TRP HA H 35 4.565 4.565 4.981 -0.416 19666
3286 1 11 . 1 1 35 35 TRP C C 35 176.720 176.720 176.828 -0.108 19666
3287 1 11 . 1 1 35 35 TRP CA C 35 58.264 58.264 57.836 0.428 19666
3288 1 11 . 1 1 35 35 TRP CB C 35 29.346 29.346 29.230 0.117 19666
3289 1 11 . 1 1 35 35 TRP H H 35 8.786 8.786 9.085 -0.299 19666
3290 1 11 . 1 1 36 36 ARG N N 36 125.976 125.976 124.800 1.176 19666
3291 1 11 . 1 1 36 36 ARG HA H 36 5.133 5.133 5.002 0.131 19666
3292 1 11 . 1 1 36 36 ARG CA C 36 53.125 53.125 53.177 -0.052 19666
3293 1 11 . 1 1 36 36 ARG CB C 36 31.094 31.094 31.405 -0.311 19666
3294 1 11 . 1 1 36 36 ARG H H 36 9.128 9.128 8.974 0.154 19666
3295 1 11 . 1 1 37 37 PRO HA H 37 5.364 5.364 4.585 0.779 19666
3296 1 11 . 1 1 37 37 PRO C C 37 175.961 175.961 176.019 -0.058 19666
3297 1 11 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.618 -0.598 19666
3298 1 11 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.747 -0.598 19666
3299 1 11 . 1 1 38 38 LEU N N 38 116.660 116.660 118.263 -1.603 19666
3300 1 11 . 1 1 38 38 LEU HA H 38 5.613 5.613 5.147 0.466 19666
3301 1 11 . 1 1 38 38 LEU C C 38 177.828 177.828 175.988 1.840 19666
3302 1 11 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.612 -1.124 19666
3303 1 11 . 1 1 38 38 LEU CB C 38 45.969 45.969 45.936 0.033 19666
3304 1 11 . 1 1 38 38 LEU H H 38 7.047 7.047 8.473 -1.426 19666
3305 1 11 . 1 1 39 39 ASP N N 39 117.187 117.187 120.676 -3.489 19666
3306 1 11 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.816 -0.151 19666
3307 1 11 . 1 1 39 39 ASP C C 39 173.855 173.855 175.163 -1.308 19666
3308 1 11 . 1 1 39 39 ASP CA C 39 53.115 53.115 53.203 -0.088 19666
3309 1 11 . 1 1 39 39 ASP CB C 39 44.870 44.870 44.424 0.446 19666
3310 1 11 . 1 1 39 39 ASP H H 39 9.136 9.136 8.636 0.500 19666
3311 1 11 . 1 1 40 40 CYS N N 40 122.812 122.812 123.948 -1.136 19666
3312 1 11 . 1 1 40 40 CYS HA H 40 4.645 4.645 4.502 0.143 19666
3313 1 11 . 1 1 40 40 CYS C C 40 173.638 173.638 174.923 -1.285 19666
3314 1 11 . 1 1 40 40 CYS CA C 40 56.149 56.149 59.249 -3.100 19666
3315 1 11 . 1 1 40 40 CYS CB C 40 38.887 38.887 25.051 13.836 19666
3316 1 11 . 1 1 40 40 CYS H H 40 8.704 8.704 9.021 -0.317 19666
3317 1 11 . 1 1 41 41 ARG N N 41 131.953 131.953 125.592 6.361 19666
3318 1 11 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.688 -0.002 19666
3319 1 11 . 1 1 41 41 ARG C C 41 175.082 175.082 175.015 0.067 19666
3320 1 11 . 1 1 41 41 ARG CA C 41 54.050 54.050 54.184 -0.133 19666
3321 1 11 . 1 1 41 41 ARG CB C 41 32.462 32.462 33.467 -1.005 19666
3322 1 11 . 1 1 41 41 ARG H H 41 8.742 8.742 9.047 -0.305 19666
3323 1 11 . 1 1 42 42 CYS N N 42 123.340 123.340 122.886 0.454 19666
3324 1 11 . 1 1 42 42 CYS HA H 42 5.216 5.216 4.722 0.494 19666
3325 1 11 . 1 1 42 42 CYS C C 42 174.439 174.439 174.420 0.019 19666
3326 1 11 . 1 1 42 42 CYS CA C 42 55.531 55.531 57.928 -2.397 19666
3327 1 11 . 1 1 42 42 CYS CB C 42 44.384 44.384 26.035 18.349 19666
3328 1 11 . 1 1 42 42 CYS H H 42 8.945 8.945 8.753 0.192 19666
3329 1 11 . 1 1 43 43 LEU N N 43 125.976 125.976 124.281 1.695 19666
3330 1 11 . 1 1 43 43 LEU HA H 43 4.544 4.544 4.851 -0.307 19666
3331 1 11 . 1 1 43 43 LEU C C 43 176.723 176.723 175.392 1.331 19666
3332 1 11 . 1 1 43 43 LEU CA C 43 54.458 54.458 53.847 0.611 19666
3333 1 11 . 1 1 43 43 LEU CB C 43 43.516 43.516 44.013 -0.497 19666
3334 1 11 . 1 1 43 43 LEU H H 43 8.722 8.722 8.525 0.197 19666
3335 1 11 . 1 1 44 44 LYS N N 44 122.285 122.285 120.902 1.383 19666
3336 1 11 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.690 -0.169 19666
3337 1 11 . 1 1 44 44 LYS C C 44 176.254 176.254 176.621 -0.367 19666
3338 1 11 . 1 1 44 44 LYS CA C 44 56.395 56.395 56.047 0.348 19666
3339 1 11 . 1 1 44 44 LYS CB C 44 33.171 33.171 33.394 -0.223 19666
3340 1 11 . 1 1 44 44 LYS H H 44 8.577 8.577 8.372 0.205 19666
3341 1 11 . 1 1 45 45 SER N N 45 117.715 117.715 118.787 -1.072 19666
3342 1 11 . 1 1 45 45 SER HA H 45 4.562 4.562 4.576 -0.014 19666
3343 1 11 . 1 1 45 45 SER C C 45 174.264 174.264 175.000 -0.736 19666
3344 1 11 . 1 1 45 45 SER CA C 45 57.318 57.318 57.524 -0.206 19666
3345 1 11 . 1 1 45 45 SER CB C 45 64.221 64.221 63.144 1.077 19666
3346 1 11 . 1 1 45 45 SER H H 45 8.254 8.254 8.855 -0.601 19666
3347 1 11 . 1 1 46 46 GLY N N 46 111.386 111.386 112.578 -1.192 19666
3348 1 11 . 1 1 46 46 GLY C C 46 174.068 174.068 174.382 -0.314 19666
3349 1 11 . 1 1 46 46 GLY CA C 46 45.310 45.310 46.012 -0.702 19666
3350 1 11 . 1 1 46 46 GLY H H 46 8.405 8.405 8.538 -0.133 19666
3351 1 11 . 1 1 47 47 PHE N N 47 120.703 120.703 117.546 3.157 19666
3352 1 11 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.423 -0.059 19666
3353 1 11 . 1 1 47 47 PHE C C 47 176.313 176.313 175.595 0.718 19666
3354 1 11 . 1 1 47 47 PHE CA C 47 58.892 58.892 56.191 2.701 19666
3355 1 11 . 1 1 47 47 PHE CB C 47 39.249 39.249 40.920 -1.671 19666
3356 1 11 . 1 1 47 47 PHE H H 47 8.362 8.362 7.738 0.624 19666
3357 1 11 . 1 1 48 48 PHE N N 48 117.363 117.363 121.487 -4.124 19666
3358 1 11 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.335 0.335 19666
3359 1 11 . 1 1 48 48 PHE C C 48 175.325 175.325 175.395 -0.070 19666
3360 1 11 . 1 1 48 48 PHE CA C 48 57.687 57.687 59.511 -1.824 19666
3361 1 11 . 1 1 48 48 PHE CB C 48 39.669 39.669 39.178 0.491 19666
3362 1 11 . 1 1 48 48 PHE H H 48 8.316 8.316 7.605 0.711 19666
3363 1 11 . 1 1 49 49 SER N N 49 114.726 114.726 113.288 1.438 19666
3364 1 11 . 1 1 49 49 SER HA H 49 4.498 4.498 4.828 -0.330 19666
3365 1 11 . 1 1 49 49 SER C C 49 174.190 174.190 172.923 1.267 19666
3366 1 11 . 1 1 49 49 SER CA C 49 58.441 58.441 57.066 1.375 19666
3367 1 11 . 1 1 49 49 SER CB C 49 64.234 64.234 65.955 -1.721 19666
3368 1 11 . 1 1 49 49 SER H H 49 7.831 7.831 7.474 0.357 19666
3369 1 11 . 1 1 50 50 SER N N 50 117.363 117.363 116.023 1.340 19666
3370 1 11 . 1 1 50 50 SER HA H 50 4.682 4.682 4.739 -0.057 19666
3371 1 11 . 1 1 50 50 SER C C 50 173.200 173.200 173.606 -0.406 19666
3372 1 11 . 1 1 50 50 SER CA C 50 58.394 58.394 57.569 0.825 19666
3373 1 11 . 1 1 50 50 SER CB C 50 64.843 64.843 64.387 0.456 19666
3374 1 11 . 1 1 50 50 SER H H 50 8.396 8.396 8.429 -0.033 19666
3375 1 11 . 1 1 51 51 LYS N N 51 122.812 122.812 127.052 -4.240 19666
3376 1 11 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.657 -0.129 19666
3377 1 11 . 1 1 51 51 LYS C C 51 175.239 175.239 175.285 -0.046 19666
3378 1 11 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.552 0.207 19666
3379 1 11 . 1 1 51 51 LYS CB C 51 34.450 34.450 34.665 -0.215 19666
3380 1 11 . 1 1 51 51 LYS H H 51 8.453 8.453 8.522 -0.069 19666
3381 1 11 . 1 1 52 52 CYS N N 52 124.922 124.922 124.394 0.528 19666
3382 1 11 . 1 1 52 52 CYS HA H 52 5.525 5.525 5.269 0.256 19666
3383 1 11 . 1 1 52 52 CYS C C 52 174.345 174.345 174.355 -0.010 19666
3384 1 11 . 1 1 52 52 CYS CA C 52 55.786 55.786 58.312 -2.526 19666
3385 1 11 . 1 1 52 52 CYS CB C 52 47.500 47.500 26.073 21.427 19666
3386 1 11 . 1 1 52 52 CYS H H 52 8.828 8.828 8.923 -0.095 19666
3387 1 11 . 1 1 53 53 VAL N N 53 117.187 117.187 119.134 -1.947 19666
3388 1 11 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.710 0.301 19666
3389 1 11 . 1 1 53 53 VAL C C 53 176.396 176.396 174.723 1.673 19666
3390 1 11 . 1 1 53 53 VAL CA C 53 59.190 59.190 59.323 -0.133 19666
3391 1 11 . 1 1 53 53 VAL CB C 53 37.293 37.293 34.680 2.613 19666
3392 1 11 . 1 1 53 53 VAL H H 53 8.625 8.625 8.622 0.003 19666
3393 1 11 . 1 1 54 54 CYS N N 54 120.703 120.703 121.962 -1.259 19666
3394 1 11 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.332 0.680 19666
3395 1 11 . 1 1 54 54 CYS C C 54 175.637 175.637 174.338 1.299 19666
3396 1 11 . 1 1 54 54 CYS CA C 54 55.432 55.432 60.929 -5.497 19666
3397 1 11 . 1 1 54 54 CYS CB C 54 40.268 40.268 25.448 14.820 19666
3398 1 11 . 1 1 54 54 CYS H H 54 8.072 8.072 8.392 -0.320 19666
3399 1 11 . 1 1 55 55 ARG N N 55 124.922 124.922 123.481 1.441 19666
3400 1 11 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.713 0.140 19666
3401 1 11 . 1 1 55 55 ARG C C 55 174.029 174.029 174.307 -0.278 19666
3402 1 11 . 1 1 55 55 ARG CA C 55 53.194 53.194 53.978 -0.784 19666
3403 1 11 . 1 1 55 55 ARG CB C 55 35.049 35.049 34.656 0.393 19666
3404 1 11 . 1 1 55 55 ARG H H 55 9.378 9.378 8.728 0.650 19666
3405 1 11 . 1 1 56 56 ASP N N 56 117.011 117.011 121.377 -4.366 19666
3406 1 11 . 1 1 56 56 ASP HA H 56 5.244 5.244 4.777 0.467 19666
3407 1 11 . 1 1 56 56 ASP C C 56 175.192 175.192 175.425 -0.233 19666
3408 1 11 . 1 1 56 56 ASP CA C 56 53.525 53.525 53.786 -0.261 19666
3409 1 11 . 1 1 56 56 ASP CB C 56 39.655 39.655 40.699 -1.044 19666
3410 1 11 . 1 1 56 56 ASP H H 56 9.693 9.693 8.640 1.053 19666
3411 1 12 . 1 1 2 2 ALA N N 2 124.746 124.746 127.573 -2.827 19666
3412 1 12 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.809 -0.582 19666
3413 1 12 . 1 1 2 2 ALA C C 2 176.106 176.106 176.378 -0.272 19666
3414 1 12 . 1 1 2 2 ALA CA C 2 52.504 52.504 51.194 1.310 19666
3415 1 12 . 1 1 2 2 ALA CB C 2 19.016 19.016 19.268 -0.252 19666
3416 1 12 . 1 1 2 2 ALA H H 2 8.421 8.421 8.253 0.168 19666
3417 1 12 . 1 1 3 3 LYS N N 3 120.527 120.527 116.848 3.679 19666
3418 1 12 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.402 -0.066 19666
3419 1 12 . 1 1 3 3 LYS C C 3 175.343 175.343 174.685 0.658 19666
3420 1 12 . 1 1 3 3 LYS CA C 3 54.848 54.848 55.087 -0.239 19666
3421 1 12 . 1 1 3 3 LYS CB C 3 34.392 34.392 34.548 -0.156 19666
3422 1 12 . 1 1 3 3 LYS H H 3 8.275 8.275 7.917 0.358 19666
3423 1 12 . 1 1 4 4 ASP N N 4 120.351 120.351 121.902 -1.551 19666
3424 1 12 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.362 0.015 19666
3425 1 12 . 1 1 4 4 ASP C C 4 177.084 177.084 177.543 -0.459 19666
3426 1 12 . 1 1 4 4 ASP CA C 4 55.908 55.908 55.917 -0.009 19666
3427 1 12 . 1 1 4 4 ASP CB C 4 41.206 41.206 39.729 1.477 19666
3428 1 12 . 1 1 4 4 ASP H H 4 8.288 8.288 8.517 -0.229 19666
3429 1 12 . 1 1 5 5 GLY N N 5 113.320 113.320 114.093 -0.773 19666
3430 1 12 . 1 1 5 5 GLY C C 5 174.205 174.205 174.546 -0.341 19666
3431 1 12 . 1 1 5 5 GLY CA C 5 45.496 45.496 44.789 0.707 19666
3432 1 12 . 1 1 5 5 GLY H H 5 8.823 8.823 8.654 0.169 19666
3433 1 12 . 1 1 6 6 ASP N N 6 121.054 121.054 124.324 -3.270 19666
3434 1 12 . 1 1 6 6 ASP HA H 6 4.641 4.641 4.779 -0.138 19666
3435 1 12 . 1 1 6 6 ASP C C 6 175.139 175.139 175.732 -0.593 19666
3436 1 12 . 1 1 6 6 ASP CA C 6 55.022 55.022 56.047 -1.024 19666
3437 1 12 . 1 1 6 6 ASP CB C 6 41.095 41.095 41.077 0.018 19666
3438 1 12 . 1 1 6 6 ASP H H 6 8.291 8.291 8.011 0.280 19666
3439 1 12 . 1 1 7 7 VAL N N 7 110.156 110.156 116.829 -6.673 19666
3440 1 12 . 1 1 7 7 VAL HA H 7 5.505 5.505 5.394 0.111 19666
3441 1 12 . 1 1 7 7 VAL C C 7 175.917 175.917 174.891 1.026 19666
3442 1 12 . 1 1 7 7 VAL CA C 7 59.486 59.486 59.011 0.475 19666
3443 1 12 . 1 1 7 7 VAL CB C 7 37.503 37.503 35.941 1.562 19666
3444 1 12 . 1 1 7 7 VAL H H 7 8.242 8.242 8.085 0.157 19666
3445 1 12 . 1 1 8 8 GLU N N 8 119.824 119.824 121.075 -1.251 19666
3446 1 12 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.623 0.085 19666
3447 1 12 . 1 1 8 8 GLU C C 8 175.138 175.138 175.349 -0.211 19666
3448 1 12 . 1 1 8 8 GLU CA C 8 55.018 55.018 55.120 -0.102 19666
3449 1 12 . 1 1 8 8 GLU CB C 8 32.660 32.660 33.063 -0.403 19666
3450 1 12 . 1 1 8 8 GLU H H 8 8.428 8.428 8.868 -0.440 19666
3451 1 12 . 1 1 9 9 GLY N N 9 112.265 112.265 110.176 2.089 19666
3452 1 12 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.291 0.396 19666
3453 1 12 . 1 1 9 9 GLY H H 9 8.498 8.498 8.322 0.176 19666
3454 1 12 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.509 -0.056 19666
3455 1 12 . 1 1 10 10 PRO C C 10 175.902 175.902 176.717 -0.815 19666
3456 1 12 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.799 -0.543 19666
3457 1 12 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.222 0.090 19666
3458 1 12 . 1 1 11 11 ALA N N 11 123.340 123.340 124.788 -1.448 19666
3459 1 12 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.122 0.039 19666
3460 1 12 . 1 1 11 11 ALA C C 11 179.442 179.442 178.219 1.223 19666
3461 1 12 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.215 0.452 19666
3462 1 12 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.627 -0.725 19666
3463 1 12 . 1 1 11 11 ALA H H 11 8.424 8.424 8.427 -0.003 19666
3464 1 12 . 1 1 12 12 GLY N N 12 111.386 111.386 111.502 -0.116 19666
3465 1 12 . 1 1 12 12 GLY C C 12 174.908 174.908 174.914 -0.006 19666
3466 1 12 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.530 0.625 19666
3467 1 12 . 1 1 12 12 GLY H H 12 8.795 8.795 8.604 0.191 19666
3468 1 12 . 1 1 13 13 CYS N N 13 118.593 118.593 117.597 0.996 19666
3469 1 12 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.637 -0.062 19666
3470 1 12 . 1 1 13 13 CYS C C 13 173.390 173.390 174.824 -1.434 19666
3471 1 12 . 1 1 13 13 CYS CA C 13 55.412 55.412 57.237 -1.825 19666
3472 1 12 . 1 1 13 13 CYS CB C 13 40.858 40.858 29.064 11.794 19666
3473 1 12 . 1 1 13 13 CYS H H 13 8.051 8.051 7.792 0.259 19666
3474 1 12 . 1 1 14 14 LYS N N 14 120.527 120.527 121.101 -0.574 19666
3475 1 12 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.538 -0.125 19666
3476 1 12 . 1 1 14 14 LYS C C 14 174.523 174.523 176.064 -1.541 19666
3477 1 12 . 1 1 14 14 LYS CA C 14 56.695 56.695 55.935 0.760 19666
3478 1 12 . 1 1 14 14 LYS CB C 14 34.840 34.840 33.544 1.296 19666
3479 1 12 . 1 1 14 14 LYS H H 14 8.661 8.661 8.383 0.278 19666
3480 1 12 . 1 1 15 15 LYS N N 15 120.000 120.000 118.155 1.845 19666
3481 1 12 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.638 -0.593 19666
3482 1 12 . 1 1 15 15 LYS C C 15 174.446 174.446 175.057 -0.611 19666
3483 1 12 . 1 1 15 15 LYS CA C 15 55.806 55.806 54.511 1.295 19666
3484 1 12 . 1 1 15 15 LYS CB C 15 34.975 34.975 35.951 -0.976 19666
3485 1 12 . 1 1 15 15 LYS H H 15 7.335 7.335 8.397 -1.062 19666
3486 1 12 . 1 1 16 16 TYR N N 16 118.242 118.242 121.427 -3.185 19666
3487 1 12 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.231 -0.622 19666
3488 1 12 . 1 1 16 16 TYR C C 16 176.146 176.146 176.482 -0.336 19666
3489 1 12 . 1 1 16 16 TYR CA C 16 59.985 59.985 60.433 -0.448 19666
3490 1 12 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.669 0.513 19666
3491 1 12 . 1 1 16 16 TYR H H 16 9.183 9.183 7.994 1.189 19666
3492 1 12 . 1 1 17 17 ASP N N 17 123.164 123.164 121.885 1.279 19666
3493 1 12 . 1 1 17 17 ASP HA H 17 4.089 4.089 3.929 0.160 19666
3494 1 12 . 1 1 17 17 ASP C C 17 174.793 174.793 174.321 0.472 19666
3495 1 12 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.342 0.040 19666
3496 1 12 . 1 1 17 17 ASP CB C 17 39.934 39.934 39.542 0.392 19666
3497 1 12 . 1 1 17 17 ASP H H 17 9.185 9.185 8.163 1.022 19666
3498 1 12 . 1 1 18 18 VAL N N 18 121.230 121.230 115.985 5.245 19666
3499 1 12 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.192 -0.223 19666
3500 1 12 . 1 1 18 18 VAL C C 18 175.615 175.615 175.244 0.371 19666
3501 1 12 . 1 1 18 18 VAL CA C 18 62.527 62.527 60.856 1.671 19666
3502 1 12 . 1 1 18 18 VAL CB C 18 31.705 31.705 36.643 -4.938 19666
3503 1 12 . 1 1 18 18 VAL H H 18 7.873 7.873 7.589 0.284 19666
3504 1 12 . 1 1 19 19 GLU N N 19 126.328 126.328 124.081 2.247 19666
3505 1 12 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.550 0.301 19666
3506 1 12 . 1 1 19 19 GLU C C 19 175.883 175.883 176.262 -0.379 19666
3507 1 12 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.619 -0.192 19666
3508 1 12 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.788 -1.245 19666
3509 1 12 . 1 1 19 19 GLU H H 19 8.437 8.437 8.585 -0.148 19666
3510 1 12 . 1 1 20 20 CYS N N 20 117.715 117.715 119.556 -1.841 19666
3511 1 12 . 1 1 20 20 CYS HA H 20 4.920 4.920 5.032 -0.112 19666
3512 1 12 . 1 1 20 20 CYS C C 20 172.746 172.746 173.901 -1.155 19666
3513 1 12 . 1 1 20 20 CYS CA C 20 53.849 53.849 55.919 -2.070 19666
3514 1 12 . 1 1 20 20 CYS CB C 20 45.604 45.604 30.743 14.861 19666
3515 1 12 . 1 1 20 20 CYS H H 20 8.357 8.357 8.562 -0.205 19666
3516 1 12 . 1 1 21 21 ASP N N 21 119.297 119.297 121.931 -2.634 19666
3517 1 12 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.843 -0.063 19666
3518 1 12 . 1 1 21 21 ASP C C 21 175.903 175.903 177.050 -1.147 19666
3519 1 12 . 1 1 21 21 ASP CA C 21 53.839 53.839 54.035 -0.196 19666
3520 1 12 . 1 1 21 21 ASP H H 21 8.077 8.077 8.606 -0.529 19666
3521 1 12 . 1 1 22 22 SER N N 22 113.751 113.751 119.153 -5.402 19666
3522 1 12 . 1 1 22 22 SER HA H 22 4.066 4.066 4.166 -0.100 19666
3523 1 12 . 1 1 22 22 SER C C 22 175.610 175.610 174.670 0.940 19666
3524 1 12 . 1 1 22 22 SER CA C 22 59.986 59.986 58.376 1.610 19666
3525 1 12 . 1 1 22 22 SER CB C 22 63.377 63.377 62.969 0.408 19666
3526 1 12 . 1 1 22 22 SER H H 22 8.477 8.477 9.061 -0.584 19666
3527 1 12 . 1 1 23 23 GLY N N 23 112.441 112.441 106.785 5.656 19666
3528 1 12 . 1 1 23 23 GLY C C 23 175.341 175.341 174.172 1.169 19666
3529 1 12 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.699 -0.074 19666
3530 1 12 . 1 1 23 23 GLY H H 23 8.666 8.666 8.369 0.297 19666
3531 1 12 . 1 1 24 24 GLU N N 24 115.429 115.429 119.945 -4.516 19666
3532 1 12 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.511 -0.191 19666
3533 1 12 . 1 1 24 24 GLU CA C 24 56.875 56.875 55.758 1.117 19666
3534 1 12 . 1 1 24 24 GLU CB C 24 32.969 32.969 31.270 1.698 19666
3535 1 12 . 1 1 24 24 GLU H H 24 7.852 7.852 7.855 -0.003 19666
3536 1 12 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.718 0.162 19666
3537 1 12 . 1 1 25 25 CYS C C 25 175.605 175.605 175.121 0.484 19666
3538 1 12 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.429 -2.012 19666
3539 1 12 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.559 11.448 19666
3540 1 12 . 1 1 26 26 CYS N N 26 122.988 122.988 122.356 0.632 19666
3541 1 12 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.370 0.199 19666
3542 1 12 . 1 1 26 26 CYS C C 26 172.335 172.335 176.442 -4.107 19666
3543 1 12 . 1 1 26 26 CYS CA C 26 55.441 55.441 59.955 -4.514 19666
3544 1 12 . 1 1 26 26 CYS CB C 26 38.977 38.977 28.850 10.127 19666
3545 1 12 . 1 1 26 26 CYS H H 26 9.987 9.987 8.832 1.155 19666
3546 1 12 . 1 1 27 27 GLN N N 27 119.472 119.472 120.440 -0.968 19666
3547 1 12 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.094 0.062 19666
3548 1 12 . 1 1 27 27 GLN C C 27 178.958 178.958 176.896 2.062 19666
3549 1 12 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.321 1.076 19666
3550 1 12 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.295 -0.161 19666
3551 1 12 . 1 1 27 27 GLN H H 27 8.129 8.129 8.294 -0.165 19666
3552 1 12 . 1 1 28 28 LYS N N 28 111.211 111.211 114.599 -3.388 19666
3553 1 12 . 1 1 28 28 LYS HA H 28 5.398 5.398 4.954 0.444 19666
3554 1 12 . 1 1 28 28 LYS C C 28 174.506 174.506 174.700 -0.194 19666
3555 1 12 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.571 -0.854 19666
3556 1 12 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.380 2.842 19666
3557 1 12 . 1 1 28 28 LYS H H 28 7.945 7.945 7.489 0.456 19666
3558 1 12 . 1 1 29 29 GLN N N 29 120.527 120.527 118.684 1.843 19666
3559 1 12 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.387 -0.114 19666
3560 1 12 . 1 1 29 29 GLN C C 29 173.392 173.392 173.778 -0.386 19666
3561 1 12 . 1 1 29 29 GLN CA C 29 54.499 54.499 54.730 -0.231 19666
3562 1 12 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.741 -0.748 19666
3563 1 12 . 1 1 29 29 GLN H H 29 9.096 9.096 9.248 -0.152 19666
3564 1 12 . 1 1 30 30 TYR N N 30 130.371 130.371 125.261 5.110 19666
3565 1 12 . 1 1 30 30 TYR HA H 30 3.824 3.824 4.211 -0.387 19666
3566 1 12 . 1 1 30 30 TYR C C 30 173.213 173.213 173.387 -0.174 19666
3567 1 12 . 1 1 30 30 TYR CA C 30 58.018 58.018 56.848 1.170 19666
3568 1 12 . 1 1 30 30 TYR CB C 30 35.574 35.574 37.623 -2.049 19666
3569 1 12 . 1 1 30 30 TYR H H 30 8.378 8.378 8.510 -0.132 19666
3570 1 12 . 1 1 31 31 LEU N N 31 132.129 132.129 125.696 6.433 19666
3571 1 12 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.434 -0.579 19666
3572 1 12 . 1 1 31 31 LEU C C 31 174.716 174.716 175.938 -1.222 19666
3573 1 12 . 1 1 31 31 LEU CA C 31 52.890 52.890 53.612 -0.722 19666
3574 1 12 . 1 1 31 31 LEU CB C 31 46.322 46.322 45.145 1.177 19666
3575 1 12 . 1 1 31 31 LEU H H 31 8.015 8.015 8.517 -0.502 19666
3576 1 12 . 1 1 32 32 TRP N N 32 126.855 126.855 123.055 3.800 19666
3577 1 12 . 1 1 32 32 TRP HA H 32 3.674 3.674 4.230 -0.556 19666
3578 1 12 . 1 1 32 32 TRP C C 32 176.444 176.444 175.543 0.901 19666
3579 1 12 . 1 1 32 32 TRP CA C 32 57.808 57.808 58.122 -0.314 19666
3580 1 12 . 1 1 32 32 TRP CB C 32 24.551 24.551 28.381 -3.829 19666
3581 1 12 . 1 1 32 32 TRP H H 32 8.835 8.835 8.509 0.326 19666
3582 1 12 . 1 1 33 33 TYR N N 33 109.453 109.453 114.087 -4.634 19666
3583 1 12 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.391 0.050 19666
3584 1 12 . 1 1 33 33 TYR C C 33 173.802 173.802 174.748 -0.946 19666
3585 1 12 . 1 1 33 33 TYR CA C 33 59.804 59.804 58.867 0.937 19666
3586 1 12 . 1 1 33 33 TYR CB C 33 35.213 35.213 36.634 -1.421 19666
3587 1 12 . 1 1 33 33 TYR H H 33 8.021 8.021 7.915 0.106 19666
3588 1 12 . 1 1 34 34 LYS N N 34 116.660 116.660 117.989 -1.329 19666
3589 1 12 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.668 -0.253 19666
3590 1 12 . 1 1 34 34 LYS C C 34 174.545 174.545 174.244 0.301 19666
3591 1 12 . 1 1 34 34 LYS CA C 34 55.268 55.268 54.642 0.626 19666
3592 1 12 . 1 1 34 34 LYS CB C 34 37.142 37.142 36.090 1.052 19666
3593 1 12 . 1 1 34 34 LYS H H 34 6.799 6.799 6.807 -0.008 19666
3594 1 12 . 1 1 35 35 TRP N N 35 122.637 122.637 123.760 -1.123 19666
3595 1 12 . 1 1 35 35 TRP HA H 35 4.565 4.565 5.297 -0.732 19666
3596 1 12 . 1 1 35 35 TRP C C 35 176.720 176.720 176.762 -0.042 19666
3597 1 12 . 1 1 35 35 TRP CA C 35 58.264 58.264 57.315 0.949 19666
3598 1 12 . 1 1 35 35 TRP CB C 35 29.346 29.346 29.700 -0.354 19666
3599 1 12 . 1 1 35 35 TRP H H 35 8.786 8.786 8.891 -0.105 19666
3600 1 12 . 1 1 36 36 ARG N N 36 125.976 125.976 124.411 1.565 19666
3601 1 12 . 1 1 36 36 ARG HA H 36 5.133 5.133 5.050 0.083 19666
3602 1 12 . 1 1 36 36 ARG CA C 36 53.125 53.125 53.167 -0.042 19666
3603 1 12 . 1 1 36 36 ARG CB C 36 31.094 31.094 31.527 -0.433 19666
3604 1 12 . 1 1 36 36 ARG H H 36 9.128 9.128 8.962 0.166 19666
3605 1 12 . 1 1 37 37 PRO HA H 37 5.364 5.364 4.838 0.526 19666
3606 1 12 . 1 1 37 37 PRO C C 37 175.961 175.961 176.074 -0.113 19666
3607 1 12 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.604 -0.584 19666
3608 1 12 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.753 -0.604 19666
3609 1 12 . 1 1 38 38 LEU N N 38 116.660 116.660 117.862 -1.202 19666
3610 1 12 . 1 1 38 38 LEU HA H 38 5.613 5.613 5.017 0.596 19666
3611 1 12 . 1 1 38 38 LEU C C 38 177.828 177.828 175.789 2.039 19666
3612 1 12 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.602 -1.114 19666
3613 1 12 . 1 1 38 38 LEU CB C 38 45.969 45.969 45.744 0.225 19666
3614 1 12 . 1 1 38 38 LEU H H 38 7.047 7.047 8.424 -1.377 19666
3615 1 12 . 1 1 39 39 ASP N N 39 117.187 117.187 120.924 -3.737 19666
3616 1 12 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.839 -0.174 19666
3617 1 12 . 1 1 39 39 ASP C C 39 173.855 173.855 174.703 -0.848 19666
3618 1 12 . 1 1 39 39 ASP CA C 39 53.115 53.115 52.676 0.439 19666
3619 1 12 . 1 1 39 39 ASP CB C 39 44.870 44.870 44.672 0.198 19666
3620 1 12 . 1 1 39 39 ASP H H 39 9.136 9.136 8.326 0.810 19666
3621 1 12 . 1 1 40 40 CYS N N 40 122.812 122.812 123.433 -0.621 19666
3622 1 12 . 1 1 40 40 CYS HA H 40 4.645 4.645 4.481 0.164 19666
3623 1 12 . 1 1 40 40 CYS C C 40 173.638 173.638 174.696 -1.058 19666
3624 1 12 . 1 1 40 40 CYS CA C 40 56.149 56.149 59.802 -3.653 19666
3625 1 12 . 1 1 40 40 CYS CB C 40 38.887 38.887 24.879 14.008 19666
3626 1 12 . 1 1 40 40 CYS H H 40 8.704 8.704 8.982 -0.278 19666
3627 1 12 . 1 1 41 41 ARG N N 41 131.953 131.953 125.739 6.214 19666
3628 1 12 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.594 0.092 19666
3629 1 12 . 1 1 41 41 ARG C C 41 175.082 175.082 175.341 -0.259 19666
3630 1 12 . 1 1 41 41 ARG CA C 41 54.050 54.050 54.736 -0.686 19666
3631 1 12 . 1 1 41 41 ARG CB C 41 32.462 32.462 32.317 0.145 19666
3632 1 12 . 1 1 41 41 ARG H H 41 8.742 8.742 8.706 0.036 19666
3633 1 12 . 1 1 42 42 CYS N N 42 123.340 123.340 123.897 -0.557 19666
3634 1 12 . 1 1 42 42 CYS HA H 42 5.216 5.216 5.087 0.129 19666
3635 1 12 . 1 1 42 42 CYS C C 42 174.439 174.439 174.697 -0.258 19666
3636 1 12 . 1 1 42 42 CYS CA C 42 55.531 55.531 58.148 -2.617 19666
3637 1 12 . 1 1 42 42 CYS CB C 42 44.384 44.384 25.987 18.397 19666
3638 1 12 . 1 1 42 42 CYS H H 42 8.945 8.945 8.763 0.182 19666
3639 1 12 . 1 1 43 43 LEU N N 43 125.976 125.976 125.012 0.964 19666
3640 1 12 . 1 1 43 43 LEU HA H 43 4.544 4.544 4.972 -0.428 19666
3641 1 12 . 1 1 43 43 LEU C C 43 176.723 176.723 174.445 2.278 19666
3642 1 12 . 1 1 43 43 LEU CA C 43 54.458 54.458 54.039 0.419 19666
3643 1 12 . 1 1 43 43 LEU CB C 43 43.516 43.516 44.457 -0.941 19666
3644 1 12 . 1 1 43 43 LEU H H 43 8.722 8.722 8.232 0.490 19666
3645 1 12 . 1 1 44 44 LYS N N 44 122.285 122.285 119.078 3.207 19666
3646 1 12 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.804 -0.283 19666
3647 1 12 . 1 1 44 44 LYS C C 44 176.254 176.254 175.864 0.390 19666
3648 1 12 . 1 1 44 44 LYS CA C 44 56.395 56.395 55.923 0.472 19666
3649 1 12 . 1 1 44 44 LYS CB C 44 33.171 33.171 34.613 -1.442 19666
3650 1 12 . 1 1 44 44 LYS H H 44 8.577 8.577 8.128 0.449 19666
3651 1 12 . 1 1 45 45 SER N N 45 117.715 117.715 118.292 -0.577 19666
3652 1 12 . 1 1 45 45 SER HA H 45 4.562 4.562 4.517 0.045 19666
3653 1 12 . 1 1 45 45 SER C C 45 174.264 174.264 174.395 -0.131 19666
3654 1 12 . 1 1 45 45 SER CA C 45 57.318 57.318 57.625 -0.307 19666
3655 1 12 . 1 1 45 45 SER CB C 45 64.221 64.221 62.913 1.308 19666
3656 1 12 . 1 1 45 45 SER H H 45 8.254 8.254 8.811 -0.557 19666
3657 1 12 . 1 1 46 46 GLY N N 46 111.386 111.386 110.237 1.149 19666
3658 1 12 . 1 1 46 46 GLY C C 46 174.068 174.068 174.090 -0.022 19666
3659 1 12 . 1 1 46 46 GLY CA C 46 45.310 45.310 45.928 -0.618 19666
3660 1 12 . 1 1 46 46 GLY H H 46 8.405 8.405 8.477 -0.072 19666
3661 1 12 . 1 1 47 47 PHE N N 47 120.703 120.703 117.913 2.790 19666
3662 1 12 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.640 -0.276 19666
3663 1 12 . 1 1 47 47 PHE C C 47 176.313 176.313 176.029 0.284 19666
3664 1 12 . 1 1 47 47 PHE CA C 47 58.892 58.892 56.500 2.392 19666
3665 1 12 . 1 1 47 47 PHE CB C 47 39.249 39.249 39.845 -0.596 19666
3666 1 12 . 1 1 47 47 PHE H H 47 8.362 8.362 7.668 0.694 19666
3667 1 12 . 1 1 48 48 PHE N N 48 117.363 117.363 119.235 -1.872 19666
3668 1 12 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.753 -0.083 19666
3669 1 12 . 1 1 48 48 PHE C C 48 175.325 175.325 176.419 -1.094 19666
3670 1 12 . 1 1 48 48 PHE CA C 48 57.687 57.687 59.326 -1.639 19666
3671 1 12 . 1 1 48 48 PHE CB C 48 39.669 39.669 39.157 0.512 19666
3672 1 12 . 1 1 48 48 PHE H H 48 8.316 8.316 8.419 -0.103 19666
3673 1 12 . 1 1 49 49 SER N N 49 114.726 114.726 116.276 -1.550 19666
3674 1 12 . 1 1 49 49 SER HA H 49 4.498 4.498 4.647 -0.149 19666
3675 1 12 . 1 1 49 49 SER C C 49 174.190 174.190 173.760 0.430 19666
3676 1 12 . 1 1 49 49 SER CA C 49 58.441 58.441 57.395 1.046 19666
3677 1 12 . 1 1 49 49 SER CB C 49 64.234 64.234 63.966 0.268 19666
3678 1 12 . 1 1 49 49 SER H H 49 7.831 7.831 8.013 -0.182 19666
3679 1 12 . 1 1 50 50 SER N N 50 117.363 117.363 120.849 -3.486 19666
3680 1 12 . 1 1 50 50 SER HA H 50 4.682 4.682 4.509 0.173 19666
3681 1 12 . 1 1 50 50 SER C C 50 173.200 173.200 174.681 -1.481 19666
3682 1 12 . 1 1 50 50 SER CA C 50 58.394 58.394 58.217 0.177 19666
3683 1 12 . 1 1 50 50 SER CB C 50 64.843 64.843 64.131 0.712 19666
3684 1 12 . 1 1 50 50 SER H H 50 8.396 8.396 8.548 -0.152 19666
3685 1 12 . 1 1 51 51 LYS N N 51 122.812 122.812 124.785 -1.973 19666
3686 1 12 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.657 -0.129 19666
3687 1 12 . 1 1 51 51 LYS C C 51 175.239 175.239 175.555 -0.316 19666
3688 1 12 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.259 0.500 19666
3689 1 12 . 1 1 51 51 LYS CB C 51 34.450 34.450 34.654 -0.204 19666
3690 1 12 . 1 1 51 51 LYS H H 51 8.453 8.453 8.311 0.142 19666
3691 1 12 . 1 1 52 52 CYS N N 52 124.922 124.922 120.843 4.079 19666
3692 1 12 . 1 1 52 52 CYS HA H 52 5.525 5.525 5.378 0.147 19666
3693 1 12 . 1 1 52 52 CYS C C 52 174.345 174.345 174.449 -0.104 19666
3694 1 12 . 1 1 52 52 CYS CA C 52 55.786 55.786 57.928 -2.142 19666
3695 1 12 . 1 1 52 52 CYS CB C 52 47.500 47.500 26.659 20.841 19666
3696 1 12 . 1 1 52 52 CYS H H 52 8.828 8.828 8.942 -0.114 19666
3697 1 12 . 1 1 53 53 VAL N N 53 117.187 117.187 117.109 0.078 19666
3698 1 12 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.914 0.097 19666
3699 1 12 . 1 1 53 53 VAL C C 53 176.396 176.396 174.875 1.521 19666
3700 1 12 . 1 1 53 53 VAL CA C 53 59.190 59.190 59.031 0.160 19666
3701 1 12 . 1 1 53 53 VAL CB C 53 37.293 37.293 35.219 2.074 19666
3702 1 12 . 1 1 53 53 VAL H H 53 8.625 8.625 9.118 -0.493 19666
3703 1 12 . 1 1 54 54 CYS N N 54 120.703 120.703 122.905 -2.202 19666
3704 1 12 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.571 0.441 19666
3705 1 12 . 1 1 54 54 CYS C C 54 175.637 175.637 174.898 0.739 19666
3706 1 12 . 1 1 54 54 CYS CA C 54 55.432 55.432 59.879 -4.447 19666
3707 1 12 . 1 1 54 54 CYS CB C 54 40.268 40.268 24.885 15.383 19666
3708 1 12 . 1 1 54 54 CYS H H 54 8.072 8.072 8.521 -0.449 19666
3709 1 12 . 1 1 55 55 ARG N N 55 124.922 124.922 124.447 0.475 19666
3710 1 12 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.946 -0.093 19666
3711 1 12 . 1 1 55 55 ARG C C 55 174.029 174.029 175.097 -1.068 19666
3712 1 12 . 1 1 55 55 ARG CA C 55 53.194 53.194 53.412 -0.218 19666
3713 1 12 . 1 1 55 55 ARG CB C 55 35.049 35.049 34.245 0.804 19666
3714 1 12 . 1 1 55 55 ARG H H 55 9.378 9.378 8.845 0.533 19666
3715 1 12 . 1 1 56 56 ASP N N 56 117.011 117.011 122.151 -5.140 19666
3716 1 12 . 1 1 56 56 ASP HA H 56 5.244 5.244 4.708 0.535 19666
3717 1 12 . 1 1 56 56 ASP C C 56 175.192 175.192 175.802 -0.610 19666
3718 1 12 . 1 1 56 56 ASP CA C 56 53.525 53.525 54.199 -0.674 19666
3719 1 12 . 1 1 56 56 ASP CB C 56 39.655 39.655 40.775 -1.120 19666
3720 1 12 . 1 1 56 56 ASP H H 56 9.693 9.693 8.709 0.984 19666
3721 1 13 . 1 1 2 2 ALA N N 2 124.746 124.746 124.701 0.045 19666
3722 1 13 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.401 -0.174 19666
3723 1 13 . 1 1 2 2 ALA C C 2 176.106 176.106 176.917 -0.811 19666
3724 1 13 . 1 1 2 2 ALA CA C 2 52.504 52.504 51.301 1.203 19666
3725 1 13 . 1 1 2 2 ALA CB C 2 19.016 19.016 19.530 -0.514 19666
3726 1 13 . 1 1 2 2 ALA H H 2 8.421 8.421 8.132 0.289 19666
3727 1 13 . 1 1 3 3 LYS N N 3 120.527 120.527 121.915 -1.388 19666
3728 1 13 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.360 -0.024 19666
3729 1 13 . 1 1 3 3 LYS C C 3 175.343 175.343 175.604 -0.261 19666
3730 1 13 . 1 1 3 3 LYS CA C 3 54.848 54.848 55.360 -0.512 19666
3731 1 13 . 1 1 3 3 LYS CB C 3 34.392 34.392 33.823 0.569 19666
3732 1 13 . 1 1 3 3 LYS H H 3 8.275 8.275 8.325 -0.050 19666
3733 1 13 . 1 1 4 4 ASP N N 4 120.351 120.351 119.747 0.604 19666
3734 1 13 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.260 0.117 19666
3735 1 13 . 1 1 4 4 ASP C C 4 177.084 177.084 177.706 -0.622 19666
3736 1 13 . 1 1 4 4 ASP CA C 4 55.908 55.908 55.831 0.077 19666
3737 1 13 . 1 1 4 4 ASP CB C 4 41.206 41.206 40.704 0.502 19666
3738 1 13 . 1 1 4 4 ASP H H 4 8.288 8.288 8.236 0.052 19666
3739 1 13 . 1 1 5 5 GLY N N 5 113.320 113.320 113.603 -0.283 19666
3740 1 13 . 1 1 5 5 GLY C C 5 174.205 174.205 174.059 0.146 19666
3741 1 13 . 1 1 5 5 GLY CA C 5 45.496 45.496 44.808 0.688 19666
3742 1 13 . 1 1 5 5 GLY H H 5 8.823 8.823 8.666 0.157 19666
3743 1 13 . 1 1 6 6 ASP N N 6 121.054 121.054 121.853 -0.799 19666
3744 1 13 . 1 1 6 6 ASP HA H 6 4.641 4.641 5.117 -0.476 19666
3745 1 13 . 1 1 6 6 ASP C C 6 175.139 175.139 175.381 -0.242 19666
3746 1 13 . 1 1 6 6 ASP CA C 6 55.022 55.022 54.026 0.996 19666
3747 1 13 . 1 1 6 6 ASP CB C 6 41.095 41.095 42.590 -1.495 19666
3748 1 13 . 1 1 6 6 ASP H H 6 8.291 8.291 7.669 0.622 19666
3749 1 13 . 1 1 7 7 VAL N N 7 110.156 110.156 117.745 -7.589 19666
3750 1 13 . 1 1 7 7 VAL HA H 7 5.505 5.505 5.298 0.207 19666
3751 1 13 . 1 1 7 7 VAL C C 7 175.917 175.917 174.663 1.254 19666
3752 1 13 . 1 1 7 7 VAL CA C 7 59.486 59.486 58.792 0.694 19666
3753 1 13 . 1 1 7 7 VAL CB C 7 37.503 37.503 35.500 2.003 19666
3754 1 13 . 1 1 7 7 VAL H H 7 8.242 8.242 8.430 -0.188 19666
3755 1 13 . 1 1 8 8 GLU N N 8 119.824 119.824 121.319 -1.495 19666
3756 1 13 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.642 0.066 19666
3757 1 13 . 1 1 8 8 GLU C C 8 175.138 175.138 175.270 -0.132 19666
3758 1 13 . 1 1 8 8 GLU CA C 8 55.018 55.018 54.826 0.192 19666
3759 1 13 . 1 1 8 8 GLU CB C 8 32.660 32.660 33.357 -0.697 19666
3760 1 13 . 1 1 8 8 GLU H H 8 8.428 8.428 9.002 -0.574 19666
3761 1 13 . 1 1 9 9 GLY N N 9 112.265 112.265 110.999 1.266 19666
3762 1 13 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.442 0.245 19666
3763 1 13 . 1 1 9 9 GLY H H 9 8.498 8.498 8.321 0.177 19666
3764 1 13 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.508 -0.055 19666
3765 1 13 . 1 1 10 10 PRO C C 10 175.902 175.902 176.829 -0.927 19666
3766 1 13 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.815 -0.559 19666
3767 1 13 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.175 0.137 19666
3768 1 13 . 1 1 11 11 ALA N N 11 123.340 123.340 125.221 -1.881 19666
3769 1 13 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.116 0.045 19666
3770 1 13 . 1 1 11 11 ALA C C 11 179.442 179.442 178.235 1.207 19666
3771 1 13 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.272 0.394 19666
3772 1 13 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.638 -0.736 19666
3773 1 13 . 1 1 11 11 ALA H H 11 8.424 8.424 8.448 -0.024 19666
3774 1 13 . 1 1 12 12 GLY N N 12 111.386 111.386 111.679 -0.293 19666
3775 1 13 . 1 1 12 12 GLY C C 12 174.908 174.908 174.592 0.316 19666
3776 1 13 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.568 0.587 19666
3777 1 13 . 1 1 12 12 GLY H H 12 8.795 8.795 8.464 0.331 19666
3778 1 13 . 1 1 13 13 CYS N N 13 118.593 118.593 117.949 0.644 19666
3779 1 13 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.538 0.037 19666
3780 1 13 . 1 1 13 13 CYS C C 13 173.390 173.390 174.493 -1.103 19666
3781 1 13 . 1 1 13 13 CYS CA C 13 55.412 55.412 57.833 -2.421 19666
3782 1 13 . 1 1 13 13 CYS CB C 13 40.858 40.858 28.598 12.260 19666
3783 1 13 . 1 1 13 13 CYS H H 13 8.051 8.051 7.763 0.288 19666
3784 1 13 . 1 1 14 14 LYS N N 14 120.527 120.527 120.877 -0.350 19666
3785 1 13 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.488 -0.075 19666
3786 1 13 . 1 1 14 14 LYS C C 14 174.523 174.523 175.956 -1.433 19666
3787 1 13 . 1 1 14 14 LYS CA C 14 56.695 56.695 55.980 0.715 19666
3788 1 13 . 1 1 14 14 LYS CB C 14 34.840 34.840 33.681 1.159 19666
3789 1 13 . 1 1 14 14 LYS H H 14 8.661 8.661 8.390 0.271 19666
3790 1 13 . 1 1 15 15 LYS N N 15 120.000 120.000 117.461 2.539 19666
3791 1 13 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.728 -0.683 19666
3792 1 13 . 1 1 15 15 LYS C C 15 174.446 174.446 175.275 -0.829 19666
3793 1 13 . 1 1 15 15 LYS CA C 15 55.806 55.806 54.407 1.399 19666
3794 1 13 . 1 1 15 15 LYS CB C 15 34.975 34.975 36.025 -1.050 19666
3795 1 13 . 1 1 15 15 LYS H H 15 7.335 7.335 8.350 -1.015 19666
3796 1 13 . 1 1 16 16 TYR N N 16 118.242 118.242 122.015 -3.773 19666
3797 1 13 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.203 -0.594 19666
3798 1 13 . 1 1 16 16 TYR C C 16 176.146 176.146 176.363 -0.217 19666
3799 1 13 . 1 1 16 16 TYR CA C 16 59.985 59.985 60.773 -0.788 19666
3800 1 13 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.821 0.361 19666
3801 1 13 . 1 1 16 16 TYR H H 16 9.183 9.183 8.196 0.987 19666
3802 1 13 . 1 1 17 17 ASP N N 17 123.164 123.164 121.870 1.294 19666
3803 1 13 . 1 1 17 17 ASP HA H 17 4.089 4.089 3.938 0.151 19666
3804 1 13 . 1 1 17 17 ASP C C 17 174.793 174.793 174.418 0.375 19666
3805 1 13 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.232 0.150 19666
3806 1 13 . 1 1 17 17 ASP CB C 17 39.934 39.934 39.085 0.849 19666
3807 1 13 . 1 1 17 17 ASP H H 17 9.185 9.185 8.108 1.077 19666
3808 1 13 . 1 1 18 18 VAL N N 18 121.230 121.230 116.069 5.161 19666
3809 1 13 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.201 -0.232 19666
3810 1 13 . 1 1 18 18 VAL C C 18 175.615 175.615 174.972 0.643 19666
3811 1 13 . 1 1 18 18 VAL CA C 18 62.527 62.527 60.174 2.353 19666
3812 1 13 . 1 1 18 18 VAL CB C 18 31.705 31.705 36.729 -5.024 19666
3813 1 13 . 1 1 18 18 VAL H H 18 7.873 7.873 7.469 0.404 19666
3814 1 13 . 1 1 19 19 GLU N N 19 126.328 126.328 124.328 2.000 19666
3815 1 13 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.583 0.268 19666
3816 1 13 . 1 1 19 19 GLU C C 19 175.883 175.883 176.150 -0.267 19666
3817 1 13 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.494 -0.067 19666
3818 1 13 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.812 -1.269 19666
3819 1 13 . 1 1 19 19 GLU H H 19 8.437 8.437 8.512 -0.075 19666
3820 1 13 . 1 1 20 20 CYS N N 20 117.715 117.715 119.370 -1.655 19666
3821 1 13 . 1 1 20 20 CYS HA H 20 4.920 4.920 5.003 -0.083 19666
3822 1 13 . 1 1 20 20 CYS C C 20 172.746 172.746 174.211 -1.465 19666
3823 1 13 . 1 1 20 20 CYS CA C 20 53.849 53.849 56.110 -2.261 19666
3824 1 13 . 1 1 20 20 CYS CB C 20 45.604 45.604 30.721 14.883 19666
3825 1 13 . 1 1 20 20 CYS H H 20 8.357 8.357 8.595 -0.238 19666
3826 1 13 . 1 1 21 21 ASP N N 21 119.297 119.297 122.359 -3.062 19666
3827 1 13 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.918 -0.138 19666
3828 1 13 . 1 1 21 21 ASP C C 21 175.903 175.903 177.011 -1.108 19666
3829 1 13 . 1 1 21 21 ASP CA C 21 53.839 53.839 54.011 -0.172 19666
3830 1 13 . 1 1 21 21 ASP H H 21 8.077 8.077 8.651 -0.574 19666
3831 1 13 . 1 1 22 22 SER N N 22 113.751 113.751 116.154 -2.403 19666
3832 1 13 . 1 1 22 22 SER HA H 22 4.066 4.066 4.093 -0.027 19666
3833 1 13 . 1 1 22 22 SER C C 22 175.610 175.610 174.698 0.912 19666
3834 1 13 . 1 1 22 22 SER CA C 22 59.986 59.986 58.561 1.425 19666
3835 1 13 . 1 1 22 22 SER CB C 22 63.377 63.377 62.388 0.989 19666
3836 1 13 . 1 1 22 22 SER H H 22 8.477 8.477 8.986 -0.509 19666
3837 1 13 . 1 1 23 23 GLY N N 23 112.441 112.441 107.079 5.362 19666
3838 1 13 . 1 1 23 23 GLY C C 23 175.341 175.341 174.154 1.187 19666
3839 1 13 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.774 -0.149 19666
3840 1 13 . 1 1 23 23 GLY H H 23 8.666 8.666 8.467 0.199 19666
3841 1 13 . 1 1 24 24 GLU N N 24 115.429 115.429 120.085 -4.656 19666
3842 1 13 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.562 -0.242 19666
3843 1 13 . 1 1 24 24 GLU CA C 24 56.875 56.875 55.876 0.999 19666
3844 1 13 . 1 1 24 24 GLU CB C 24 32.969 32.969 30.806 2.163 19666
3845 1 13 . 1 1 24 24 GLU H H 24 7.852 7.852 7.779 0.073 19666
3846 1 13 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.736 0.144 19666
3847 1 13 . 1 1 25 25 CYS C C 25 175.605 175.605 175.008 0.597 19666
3848 1 13 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.671 -2.254 19666
3849 1 13 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.644 11.363 19666
3850 1 13 . 1 1 26 26 CYS N N 26 122.988 122.988 122.135 0.853 19666
3851 1 13 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.366 0.203 19666
3852 1 13 . 1 1 26 26 CYS C C 26 172.335 172.335 176.355 -4.020 19666
3853 1 13 . 1 1 26 26 CYS CA C 26 55.441 55.441 60.030 -4.589 19666
3854 1 13 . 1 1 26 26 CYS CB C 26 38.977 38.977 28.666 10.311 19666
3855 1 13 . 1 1 26 26 CYS H H 26 9.987 9.987 8.858 1.129 19666
3856 1 13 . 1 1 27 27 GLN N N 27 119.472 119.472 120.234 -0.762 19666
3857 1 13 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.093 0.063 19666
3858 1 13 . 1 1 27 27 GLN C C 27 178.958 178.958 176.890 2.068 19666
3859 1 13 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.351 1.046 19666
3860 1 13 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.307 -0.173 19666
3861 1 13 . 1 1 27 27 GLN H H 27 8.129 8.129 8.358 -0.229 19666
3862 1 13 . 1 1 28 28 LYS N N 28 111.211 111.211 114.750 -3.539 19666
3863 1 13 . 1 1 28 28 LYS HA H 28 5.398 5.398 4.714 0.684 19666
3864 1 13 . 1 1 28 28 LYS C C 28 174.506 174.506 174.389 0.117 19666
3865 1 13 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.653 -0.936 19666
3866 1 13 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.121 3.101 19666
3867 1 13 . 1 1 28 28 LYS H H 28 7.945 7.945 7.488 0.457 19666
3868 1 13 . 1 1 29 29 GLN N N 29 120.527 120.527 119.011 1.516 19666
3869 1 13 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.247 0.026 19666
3870 1 13 . 1 1 29 29 GLN C C 29 173.392 173.392 173.760 -0.368 19666
3871 1 13 . 1 1 29 29 GLN CA C 29 54.499 54.499 55.310 -0.811 19666
3872 1 13 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.449 -0.456 19666
3873 1 13 . 1 1 29 29 GLN H H 29 9.096 9.096 8.922 0.174 19666
3874 1 13 . 1 1 30 30 TYR N N 30 130.371 130.371 126.408 3.963 19666
3875 1 13 . 1 1 30 30 TYR HA H 30 3.824 3.824 4.040 -0.216 19666
3876 1 13 . 1 1 30 30 TYR C C 30 173.213 173.213 173.257 -0.044 19666
3877 1 13 . 1 1 30 30 TYR CA C 30 58.018 58.018 57.625 0.393 19666
3878 1 13 . 1 1 30 30 TYR CB C 30 35.574 35.574 37.998 -2.424 19666
3879 1 13 . 1 1 30 30 TYR H H 30 8.378 8.378 8.648 -0.270 19666
3880 1 13 . 1 1 31 31 LEU N N 31 132.129 132.129 125.660 6.469 19666
3881 1 13 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.443 -0.588 19666
3882 1 13 . 1 1 31 31 LEU C C 31 174.716 174.716 175.518 -0.802 19666
3883 1 13 . 1 1 31 31 LEU CA C 31 52.890 52.890 53.990 -1.100 19666
3884 1 13 . 1 1 31 31 LEU CB C 31 46.322 46.322 45.894 0.428 19666
3885 1 13 . 1 1 31 31 LEU H H 31 8.015 8.015 8.380 -0.365 19666
3886 1 13 . 1 1 32 32 TRP N N 32 126.855 126.855 120.315 6.540 19666
3887 1 13 . 1 1 32 32 TRP HA H 32 3.674 3.674 4.279 -0.605 19666
3888 1 13 . 1 1 32 32 TRP C C 32 176.444 176.444 175.412 1.032 19666
3889 1 13 . 1 1 32 32 TRP CA C 32 57.808 57.808 58.361 -0.553 19666
3890 1 13 . 1 1 32 32 TRP CB C 32 24.551 24.551 27.399 -2.848 19666
3891 1 13 . 1 1 32 32 TRP H H 32 8.835 8.835 8.560 0.275 19666
3892 1 13 . 1 1 33 33 TYR N N 33 109.453 109.453 113.099 -3.646 19666
3893 1 13 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.551 -0.110 19666
3894 1 13 . 1 1 33 33 TYR C C 33 173.802 173.802 174.813 -1.011 19666
3895 1 13 . 1 1 33 33 TYR CA C 33 59.804 59.804 58.860 0.944 19666
3896 1 13 . 1 1 33 33 TYR CB C 33 35.213 35.213 36.358 -1.145 19666
3897 1 13 . 1 1 33 33 TYR H H 33 8.021 8.021 7.850 0.171 19666
3898 1 13 . 1 1 34 34 LYS N N 34 116.660 116.660 117.569 -0.909 19666
3899 1 13 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.647 -0.232 19666
3900 1 13 . 1 1 34 34 LYS C C 34 174.545 174.545 174.533 0.012 19666
3901 1 13 . 1 1 34 34 LYS CA C 34 55.268 55.268 55.089 0.179 19666
3902 1 13 . 1 1 34 34 LYS CB C 34 37.142 37.142 36.421 0.721 19666
3903 1 13 . 1 1 34 34 LYS H H 34 6.799 6.799 6.644 0.155 19666
3904 1 13 . 1 1 35 35 TRP N N 35 122.637 122.637 124.596 -1.959 19666
3905 1 13 . 1 1 35 35 TRP HA H 35 4.565 4.565 5.071 -0.506 19666
3906 1 13 . 1 1 35 35 TRP C C 35 176.720 176.720 176.825 -0.105 19666
3907 1 13 . 1 1 35 35 TRP CA C 35 58.264 58.264 57.851 0.413 19666
3908 1 13 . 1 1 35 35 TRP CB C 35 29.346 29.346 29.267 0.079 19666
3909 1 13 . 1 1 35 35 TRP H H 35 8.786 8.786 9.151 -0.365 19666
3910 1 13 . 1 1 36 36 ARG N N 36 125.976 125.976 125.116 0.860 19666
3911 1 13 . 1 1 36 36 ARG HA H 36 5.133 5.133 4.999 0.134 19666
3912 1 13 . 1 1 36 36 ARG CA C 36 53.125 53.125 53.160 -0.035 19666
3913 1 13 . 1 1 36 36 ARG CB C 36 31.094 31.094 31.442 -0.348 19666
3914 1 13 . 1 1 36 36 ARG H H 36 9.128 9.128 8.945 0.183 19666
3915 1 13 . 1 1 37 37 PRO HA H 37 5.364 5.364 4.540 0.824 19666
3916 1 13 . 1 1 37 37 PRO C C 37 175.961 175.961 176.111 -0.150 19666
3917 1 13 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.502 -0.482 19666
3918 1 13 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.627 -0.478 19666
3919 1 13 . 1 1 38 38 LEU N N 38 116.660 116.660 118.899 -2.239 19666
3920 1 13 . 1 1 38 38 LEU HA H 38 5.613 5.613 5.314 0.299 19666
3921 1 13 . 1 1 38 38 LEU C C 38 177.828 177.828 176.158 1.670 19666
3922 1 13 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.528 -1.040 19666
3923 1 13 . 1 1 38 38 LEU CB C 38 45.969 45.969 46.057 -0.088 19666
3924 1 13 . 1 1 38 38 LEU H H 38 7.047 7.047 8.481 -1.434 19666
3925 1 13 . 1 1 39 39 ASP N N 39 117.187 117.187 120.484 -3.297 19666
3926 1 13 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.846 -0.181 19666
3927 1 13 . 1 1 39 39 ASP C C 39 173.855 173.855 175.160 -1.305 19666
3928 1 13 . 1 1 39 39 ASP CA C 39 53.115 53.115 53.339 -0.224 19666
3929 1 13 . 1 1 39 39 ASP CB C 39 44.870 44.870 44.963 -0.093 19666
3930 1 13 . 1 1 39 39 ASP H H 39 9.136 9.136 8.769 0.367 19666
3931 1 13 . 1 1 40 40 CYS N N 40 122.812 122.812 122.801 0.011 19666
3932 1 13 . 1 1 40 40 CYS HA H 40 4.645 4.645 4.533 0.112 19666
3933 1 13 . 1 1 40 40 CYS C C 40 173.638 173.638 174.902 -1.264 19666
3934 1 13 . 1 1 40 40 CYS CA C 40 56.149 56.149 59.139 -2.990 19666
3935 1 13 . 1 1 40 40 CYS CB C 40 38.887 38.887 25.165 13.722 19666
3936 1 13 . 1 1 40 40 CYS H H 40 8.704 8.704 8.988 -0.284 19666
3937 1 13 . 1 1 41 41 ARG N N 41 131.953 131.953 125.218 6.735 19666
3938 1 13 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.641 0.045 19666
3939 1 13 . 1 1 41 41 ARG C C 41 175.082 175.082 175.387 -0.305 19666
3940 1 13 . 1 1 41 41 ARG CA C 41 54.050 54.050 53.660 0.390 19666
3941 1 13 . 1 1 41 41 ARG CB C 41 32.462 32.462 33.206 -0.744 19666
3942 1 13 . 1 1 41 41 ARG H H 41 8.742 8.742 8.917 -0.175 19666
3943 1 13 . 1 1 42 42 CYS N N 42 123.340 123.340 124.496 -1.156 19666
3944 1 13 . 1 1 42 42 CYS HA H 42 5.216 5.216 4.778 0.438 19666
3945 1 13 . 1 1 42 42 CYS C C 42 174.439 174.439 174.371 0.068 19666
3946 1 13 . 1 1 42 42 CYS CA C 42 55.531 55.531 59.094 -3.563 19666
3947 1 13 . 1 1 42 42 CYS CB C 42 44.384 44.384 25.707 18.677 19666
3948 1 13 . 1 1 42 42 CYS H H 42 8.945 8.945 8.816 0.129 19666
3949 1 13 . 1 1 43 43 LEU N N 43 125.976 125.976 124.862 1.114 19666
3950 1 13 . 1 1 43 43 LEU HA H 43 4.544 4.544 4.748 -0.204 19666
3951 1 13 . 1 1 43 43 LEU C C 43 176.723 176.723 175.132 1.591 19666
3952 1 13 . 1 1 43 43 LEU CA C 43 54.458 54.458 54.803 -0.345 19666
3953 1 13 . 1 1 43 43 LEU CB C 43 43.516 43.516 44.867 -1.351 19666
3954 1 13 . 1 1 43 43 LEU H H 43 8.722 8.722 7.761 0.961 19666
3955 1 13 . 1 1 44 44 LYS N N 44 122.285 122.285 122.100 0.185 19666
3956 1 13 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.543 -0.022 19666
3957 1 13 . 1 1 44 44 LYS C C 44 176.254 176.254 175.420 0.834 19666
3958 1 13 . 1 1 44 44 LYS CA C 44 56.395 56.395 55.654 0.741 19666
3959 1 13 . 1 1 44 44 LYS CB C 44 33.171 33.171 34.781 -1.610 19666
3960 1 13 . 1 1 44 44 LYS H H 44 8.577 8.577 8.462 0.115 19666
3961 1 13 . 1 1 45 45 SER N N 45 117.715 117.715 117.358 0.357 19666
3962 1 13 . 1 1 45 45 SER HA H 45 4.562 4.562 4.605 -0.043 19666
3963 1 13 . 1 1 45 45 SER C C 45 174.264 174.264 175.046 -0.782 19666
3964 1 13 . 1 1 45 45 SER CA C 45 57.318 57.318 57.636 -0.318 19666
3965 1 13 . 1 1 45 45 SER CB C 45 64.221 64.221 63.201 1.020 19666
3966 1 13 . 1 1 45 45 SER H H 45 8.254 8.254 8.607 -0.353 19666
3967 1 13 . 1 1 46 46 GLY N N 46 111.386 111.386 113.923 -2.537 19666
3968 1 13 . 1 1 46 46 GLY C C 46 174.068 174.068 173.751 0.317 19666
3969 1 13 . 1 1 46 46 GLY CA C 46 45.310 45.310 44.721 0.589 19666
3970 1 13 . 1 1 46 46 GLY H H 46 8.405 8.405 8.795 -0.390 19666
3971 1 13 . 1 1 47 47 PHE N N 47 120.703 120.703 120.521 0.182 19666
3972 1 13 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.645 -0.281 19666
3973 1 13 . 1 1 47 47 PHE C C 47 176.313 176.313 176.386 -0.073 19666
3974 1 13 . 1 1 47 47 PHE CA C 47 58.892 58.892 57.176 1.716 19666
3975 1 13 . 1 1 47 47 PHE CB C 47 39.249 39.249 39.881 -0.632 19666
3976 1 13 . 1 1 47 47 PHE H H 47 8.362 8.362 7.813 0.549 19666
3977 1 13 . 1 1 48 48 PHE N N 48 117.363 117.363 121.079 -3.716 19666
3978 1 13 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.361 0.309 19666
3979 1 13 . 1 1 48 48 PHE C C 48 175.325 175.325 176.242 -0.917 19666
3980 1 13 . 1 1 48 48 PHE CA C 48 57.687 57.687 60.077 -2.390 19666
3981 1 13 . 1 1 48 48 PHE CB C 48 39.669 39.669 39.382 0.287 19666
3982 1 13 . 1 1 48 48 PHE H H 48 8.316 8.316 8.873 -0.557 19666
3983 1 13 . 1 1 49 49 SER N N 49 114.726 114.726 111.153 3.573 19666
3984 1 13 . 1 1 49 49 SER HA H 49 4.498 4.498 4.730 -0.232 19666
3985 1 13 . 1 1 49 49 SER C C 49 174.190 174.190 172.936 1.254 19666
3986 1 13 . 1 1 49 49 SER CA C 49 58.441 58.441 56.712 1.729 19666
3987 1 13 . 1 1 49 49 SER CB C 49 64.234 64.234 64.258 -0.024 19666
3988 1 13 . 1 1 49 49 SER H H 49 7.831 7.831 7.893 -0.062 19666
3989 1 13 . 1 1 50 50 SER N N 50 117.363 117.363 115.148 2.215 19666
3990 1 13 . 1 1 50 50 SER HA H 50 4.682 4.682 4.630 0.052 19666
3991 1 13 . 1 1 50 50 SER C C 50 173.200 173.200 173.036 0.164 19666
3992 1 13 . 1 1 50 50 SER CA C 50 58.394 58.394 57.514 0.880 19666
3993 1 13 . 1 1 50 50 SER CB C 50 64.843 64.843 65.382 -0.539 19666
3994 1 13 . 1 1 50 50 SER H H 50 8.396 8.396 8.270 0.126 19666
3995 1 13 . 1 1 51 51 LYS N N 51 122.812 122.812 124.482 -1.670 19666
3996 1 13 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.441 0.087 19666
3997 1 13 . 1 1 51 51 LYS C C 51 175.239 175.239 175.589 -0.350 19666
3998 1 13 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.605 0.154 19666
3999 1 13 . 1 1 51 51 LYS CB C 51 34.450 34.450 34.395 0.055 19666
4000 1 13 . 1 1 51 51 LYS H H 51 8.453 8.453 8.253 0.200 19666
4001 1 13 . 1 1 52 52 CYS N N 52 124.922 124.922 121.496 3.426 19666
4002 1 13 . 1 1 52 52 CYS HA H 52 5.525 5.525 4.918 0.607 19666
4003 1 13 . 1 1 52 52 CYS C C 52 174.345 174.345 174.489 -0.144 19666
4004 1 13 . 1 1 52 52 CYS CA C 52 55.786 55.786 58.149 -2.363 19666
4005 1 13 . 1 1 52 52 CYS CB C 52 47.500 47.500 25.692 21.808 19666
4006 1 13 . 1 1 52 52 CYS H H 52 8.828 8.828 8.781 0.047 19666
4007 1 13 . 1 1 53 53 VAL N N 53 117.187 117.187 119.370 -2.183 19666
4008 1 13 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.784 0.227 19666
4009 1 13 . 1 1 53 53 VAL C C 53 176.396 176.396 175.063 1.333 19666
4010 1 13 . 1 1 53 53 VAL CA C 53 59.190 59.190 59.204 -0.014 19666
4011 1 13 . 1 1 53 53 VAL CB C 53 37.293 37.293 34.873 2.420 19666
4012 1 13 . 1 1 53 53 VAL H H 53 8.625 8.625 8.459 0.166 19666
4013 1 13 . 1 1 54 54 CYS N N 54 120.703 120.703 123.472 -2.769 19666
4014 1 13 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.503 0.509 19666
4015 1 13 . 1 1 54 54 CYS C C 54 175.637 175.637 174.558 1.079 19666
4016 1 13 . 1 1 54 54 CYS CA C 54 55.432 55.432 60.720 -5.288 19666
4017 1 13 . 1 1 54 54 CYS CB C 54 40.268 40.268 24.793 15.476 19666
4018 1 13 . 1 1 54 54 CYS H H 54 8.072 8.072 8.382 -0.310 19666
4019 1 13 . 1 1 55 55 ARG N N 55 124.922 124.922 124.570 0.352 19666
4020 1 13 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.869 -0.016 19666
4021 1 13 . 1 1 55 55 ARG C C 55 174.029 174.029 174.549 -0.520 19666
4022 1 13 . 1 1 55 55 ARG CA C 55 53.194 53.194 53.902 -0.708 19666
4023 1 13 . 1 1 55 55 ARG CB C 55 35.049 35.049 34.548 0.501 19666
4024 1 13 . 1 1 55 55 ARG H H 55 9.378 9.378 8.808 0.570 19666
4025 1 13 . 1 1 56 56 ASP N N 56 117.011 117.011 122.205 -5.194 19666
4026 1 13 . 1 1 56 56 ASP HA H 56 5.244 5.244 5.065 0.179 19666
4027 1 13 . 1 1 56 56 ASP C C 56 175.192 175.192 175.331 -0.139 19666
4028 1 13 . 1 1 56 56 ASP CA C 56 53.525 53.525 54.079 -0.554 19666
4029 1 13 . 1 1 56 56 ASP CB C 56 39.655 39.655 40.644 -0.989 19666
4030 1 13 . 1 1 56 56 ASP H H 56 9.693 9.693 8.681 1.012 19666
4031 1 14 . 1 1 2 2 ALA N N 2 124.746 124.746 125.919 -1.173 19666
4032 1 14 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.468 -0.241 19666
4033 1 14 . 1 1 2 2 ALA C C 2 176.106 176.106 175.755 0.351 19666
4034 1 14 . 1 1 2 2 ALA CA C 2 52.504 52.504 51.180 1.324 19666
4035 1 14 . 1 1 2 2 ALA CB C 2 19.016 19.016 20.047 -1.030 19666
4036 1 14 . 1 1 2 2 ALA H H 2 8.421 8.421 8.063 0.358 19666
4037 1 14 . 1 1 3 3 LYS N N 3 120.527 120.527 117.814 2.713 19666
4038 1 14 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.469 -0.133 19666
4039 1 14 . 1 1 3 3 LYS C C 3 175.343 175.343 174.723 0.620 19666
4040 1 14 . 1 1 3 3 LYS CA C 3 54.848 54.848 54.556 0.292 19666
4041 1 14 . 1 1 3 3 LYS CB C 3 34.392 34.392 34.667 -0.275 19666
4042 1 14 . 1 1 3 3 LYS H H 3 8.275 8.275 8.316 -0.041 19666
4043 1 14 . 1 1 4 4 ASP N N 4 120.351 120.351 120.819 -0.468 19666
4044 1 14 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.279 0.098 19666
4045 1 14 . 1 1 4 4 ASP C C 4 177.084 177.084 177.471 -0.387 19666
4046 1 14 . 1 1 4 4 ASP CA C 4 55.908 55.908 56.115 -0.207 19666
4047 1 14 . 1 1 4 4 ASP CB C 4 41.206 41.206 40.206 1.000 19666
4048 1 14 . 1 1 4 4 ASP H H 4 8.288 8.288 8.323 -0.035 19666
4049 1 14 . 1 1 5 5 GLY N N 5 113.320 113.320 115.139 -1.819 19666
4050 1 14 . 1 1 5 5 GLY C C 5 174.205 174.205 173.647 0.558 19666
4051 1 14 . 1 1 5 5 GLY CA C 5 45.496 45.496 44.735 0.761 19666
4052 1 14 . 1 1 5 5 GLY H H 5 8.823 8.823 8.690 0.133 19666
4053 1 14 . 1 1 6 6 ASP N N 6 121.054 121.054 122.399 -1.345 19666
4054 1 14 . 1 1 6 6 ASP HA H 6 4.641 4.641 5.211 -0.570 19666
4055 1 14 . 1 1 6 6 ASP C C 6 175.139 175.139 175.195 -0.056 19666
4056 1 14 . 1 1 6 6 ASP CA C 6 55.022 55.022 53.562 1.460 19666
4057 1 14 . 1 1 6 6 ASP CB C 6 41.095 41.095 42.578 -1.483 19666
4058 1 14 . 1 1 6 6 ASP H H 6 8.291 8.291 7.720 0.571 19666
4059 1 14 . 1 1 7 7 VAL N N 7 110.156 110.156 118.421 -8.265 19666
4060 1 14 . 1 1 7 7 VAL HA H 7 5.505 5.505 5.294 0.211 19666
4061 1 14 . 1 1 7 7 VAL C C 7 175.917 175.917 174.543 1.374 19666
4062 1 14 . 1 1 7 7 VAL CA C 7 59.486 59.486 58.907 0.579 19666
4063 1 14 . 1 1 7 7 VAL CB C 7 37.503 37.503 35.352 2.151 19666
4064 1 14 . 1 1 7 7 VAL H H 7 8.242 8.242 8.500 -0.258 19666
4065 1 14 . 1 1 8 8 GLU N N 8 119.824 119.824 121.152 -1.328 19666
4066 1 14 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.605 0.103 19666
4067 1 14 . 1 1 8 8 GLU C C 8 175.138 175.138 175.259 -0.121 19666
4068 1 14 . 1 1 8 8 GLU CA C 8 55.018 55.018 55.126 -0.108 19666
4069 1 14 . 1 1 8 8 GLU CB C 8 32.660 32.660 32.675 -0.015 19666
4070 1 14 . 1 1 8 8 GLU H H 8 8.428 8.428 8.946 -0.518 19666
4071 1 14 . 1 1 9 9 GLY N N 9 112.265 112.265 111.470 0.795 19666
4072 1 14 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.298 0.389 19666
4073 1 14 . 1 1 9 9 GLY H H 9 8.498 8.498 8.303 0.195 19666
4074 1 14 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.508 -0.055 19666
4075 1 14 . 1 1 10 10 PRO C C 10 175.902 175.902 176.783 -0.881 19666
4076 1 14 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.813 -0.557 19666
4077 1 14 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.182 0.130 19666
4078 1 14 . 1 1 11 11 ALA N N 11 123.340 123.340 125.156 -1.816 19666
4079 1 14 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.116 0.045 19666
4080 1 14 . 1 1 11 11 ALA C C 11 179.442 179.442 178.264 1.178 19666
4081 1 14 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.260 0.406 19666
4082 1 14 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.646 -0.744 19666
4083 1 14 . 1 1 11 11 ALA H H 11 8.424 8.424 8.449 -0.025 19666
4084 1 14 . 1 1 12 12 GLY N N 12 111.386 111.386 111.782 -0.396 19666
4085 1 14 . 1 1 12 12 GLY C C 12 174.908 174.908 174.687 0.221 19666
4086 1 14 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.520 0.634 19666
4087 1 14 . 1 1 12 12 GLY H H 12 8.795 8.795 8.601 0.194 19666
4088 1 14 . 1 1 13 13 CYS N N 13 118.593 118.593 118.205 0.388 19666
4089 1 14 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.621 -0.046 19666
4090 1 14 . 1 1 13 13 CYS C C 13 173.390 173.390 174.706 -1.316 19666
4091 1 14 . 1 1 13 13 CYS CA C 13 55.412 55.412 57.485 -2.073 19666
4092 1 14 . 1 1 13 13 CYS CB C 13 40.858 40.858 28.002 12.856 19666
4093 1 14 . 1 1 13 13 CYS H H 13 8.051 8.051 7.770 0.281 19666
4094 1 14 . 1 1 14 14 LYS N N 14 120.527 120.527 122.099 -1.572 19666
4095 1 14 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.378 0.035 19666
4096 1 14 . 1 1 14 14 LYS C C 14 174.523 174.523 176.191 -1.668 19666
4097 1 14 . 1 1 14 14 LYS CA C 14 56.695 56.695 55.894 0.801 19666
4098 1 14 . 1 1 14 14 LYS CB C 14 34.840 34.840 33.130 1.710 19666
4099 1 14 . 1 1 14 14 LYS H H 14 8.661 8.661 8.395 0.266 19666
4100 1 14 . 1 1 15 15 LYS N N 15 120.000 120.000 119.501 0.499 19666
4101 1 14 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.597 -0.552 19666
4102 1 14 . 1 1 15 15 LYS C C 15 174.446 174.446 175.349 -0.903 19666
4103 1 14 . 1 1 15 15 LYS CA C 15 55.806 55.806 54.392 1.414 19666
4104 1 14 . 1 1 15 15 LYS CB C 15 34.975 34.975 36.019 -1.044 19666
4105 1 14 . 1 1 15 15 LYS H H 15 7.335 7.335 8.203 -0.868 19666
4106 1 14 . 1 1 16 16 TYR N N 16 118.242 118.242 121.353 -3.111 19666
4107 1 14 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.079 -0.470 19666
4108 1 14 . 1 1 16 16 TYR C C 16 176.146 176.146 176.133 0.013 19666
4109 1 14 . 1 1 16 16 TYR CA C 16 59.985 59.985 60.858 -0.873 19666
4110 1 14 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.704 0.478 19666
4111 1 14 . 1 1 16 16 TYR H H 16 9.183 9.183 8.126 1.057 19666
4112 1 14 . 1 1 17 17 ASP N N 17 123.164 123.164 121.942 1.222 19666
4113 1 14 . 1 1 17 17 ASP HA H 17 4.089 4.089 3.951 0.138 19666
4114 1 14 . 1 1 17 17 ASP C C 17 174.793 174.793 174.280 0.513 19666
4115 1 14 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.450 -0.068 19666
4116 1 14 . 1 1 17 17 ASP CB C 17 39.934 39.934 38.913 1.022 19666
4117 1 14 . 1 1 17 17 ASP H H 17 9.185 9.185 8.076 1.109 19666
4118 1 14 . 1 1 18 18 VAL N N 18 121.230 121.230 117.020 4.210 19666
4119 1 14 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.171 -0.202 19666
4120 1 14 . 1 1 18 18 VAL C C 18 175.615 175.615 175.347 0.268 19666
4121 1 14 . 1 1 18 18 VAL CA C 18 62.527 62.527 59.942 2.585 19666
4122 1 14 . 1 1 18 18 VAL CB C 18 31.705 31.705 35.409 -3.704 19666
4123 1 14 . 1 1 18 18 VAL H H 18 7.873 7.873 7.548 0.325 19666
4124 1 14 . 1 1 19 19 GLU N N 19 126.328 126.328 125.943 0.385 19666
4125 1 14 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.361 0.490 19666
4126 1 14 . 1 1 19 19 GLU C C 19 175.883 175.883 175.780 0.103 19666
4127 1 14 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.565 -0.138 19666
4128 1 14 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.641 -1.098 19666
4129 1 14 . 1 1 19 19 GLU H H 19 8.437 8.437 8.626 -0.189 19666
4130 1 14 . 1 1 20 20 CYS N N 20 117.715 117.715 120.702 -2.987 19666
4131 1 14 . 1 1 20 20 CYS HA H 20 4.920 4.920 5.004 -0.084 19666
4132 1 14 . 1 1 20 20 CYS C C 20 172.746 172.746 173.529 -0.783 19666
4133 1 14 . 1 1 20 20 CYS CA C 20 53.849 53.849 55.850 -2.001 19666
4134 1 14 . 1 1 20 20 CYS CB C 20 45.604 45.604 31.146 14.458 19666
4135 1 14 . 1 1 20 20 CYS H H 20 8.357 8.357 8.442 -0.085 19666
4136 1 14 . 1 1 21 21 ASP N N 21 119.297 119.297 120.571 -1.274 19666
4137 1 14 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.872 -0.092 19666
4138 1 14 . 1 1 21 21 ASP C C 21 175.903 175.903 176.960 -1.057 19666
4139 1 14 . 1 1 21 21 ASP CA C 21 53.839 53.839 53.898 -0.059 19666
4140 1 14 . 1 1 21 21 ASP H H 21 8.077 8.077 8.603 -0.526 19666
4141 1 14 . 1 1 22 22 SER N N 22 113.751 113.751 118.682 -4.931 19666
4142 1 14 . 1 1 22 22 SER HA H 22 4.066 4.066 4.114 -0.048 19666
4143 1 14 . 1 1 22 22 SER C C 22 175.610 175.610 174.380 1.230 19666
4144 1 14 . 1 1 22 22 SER CA C 22 59.986 59.986 58.609 1.377 19666
4145 1 14 . 1 1 22 22 SER CB C 22 63.377 63.377 62.739 0.638 19666
4146 1 14 . 1 1 22 22 SER H H 22 8.477 8.477 8.994 -0.517 19666
4147 1 14 . 1 1 23 23 GLY N N 23 112.441 112.441 107.109 5.332 19666
4148 1 14 . 1 1 23 23 GLY C C 23 175.341 175.341 173.923 1.418 19666
4149 1 14 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.682 -0.057 19666
4150 1 14 . 1 1 23 23 GLY H H 23 8.666 8.666 8.352 0.314 19666
4151 1 14 . 1 1 24 24 GLU N N 24 115.429 115.429 119.496 -4.067 19666
4152 1 14 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.566 -0.246 19666
4153 1 14 . 1 1 24 24 GLU CA C 24 56.875 56.875 55.665 1.210 19666
4154 1 14 . 1 1 24 24 GLU CB C 24 32.969 32.969 31.619 1.350 19666
4155 1 14 . 1 1 24 24 GLU H H 24 7.852 7.852 7.841 0.011 19666
4156 1 14 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.722 0.158 19666
4157 1 14 . 1 1 25 25 CYS C C 25 175.605 175.605 175.075 0.530 19666
4158 1 14 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.330 -1.913 19666
4159 1 14 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.697 11.310 19666
4160 1 14 . 1 1 26 26 CYS N N 26 122.988 122.988 121.024 1.964 19666
4161 1 14 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.265 0.304 19666
4162 1 14 . 1 1 26 26 CYS C C 26 172.335 172.335 176.293 -3.958 19666
4163 1 14 . 1 1 26 26 CYS CA C 26 55.441 55.441 60.484 -5.043 19666
4164 1 14 . 1 1 26 26 CYS CB C 26 38.977 38.977 29.001 9.976 19666
4165 1 14 . 1 1 26 26 CYS H H 26 9.987 9.987 8.743 1.244 19666
4166 1 14 . 1 1 27 27 GLN N N 27 119.472 119.472 119.836 -0.364 19666
4167 1 14 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.090 0.066 19666
4168 1 14 . 1 1 27 27 GLN C C 27 178.958 178.958 176.879 2.079 19666
4169 1 14 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.491 0.906 19666
4170 1 14 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.403 -0.269 19666
4171 1 14 . 1 1 27 27 GLN H H 27 8.129 8.129 8.281 -0.152 19666
4172 1 14 . 1 1 28 28 LYS N N 28 111.211 111.211 114.637 -3.426 19666
4173 1 14 . 1 1 28 28 LYS HA H 28 5.398 5.398 4.898 0.500 19666
4174 1 14 . 1 1 28 28 LYS C C 28 174.506 174.506 174.516 -0.010 19666
4175 1 14 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.643 -0.926 19666
4176 1 14 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.247 2.975 19666
4177 1 14 . 1 1 28 28 LYS H H 28 7.945 7.945 7.443 0.502 19666
4178 1 14 . 1 1 29 29 GLN N N 29 120.527 120.527 119.052 1.475 19666
4179 1 14 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.368 -0.095 19666
4180 1 14 . 1 1 29 29 GLN C C 29 173.392 173.392 173.847 -0.455 19666
4181 1 14 . 1 1 29 29 GLN CA C 29 54.499 54.499 54.920 -0.421 19666
4182 1 14 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.733 -0.740 19666
4183 1 14 . 1 1 29 29 GLN H H 29 9.096 9.096 9.188 -0.092 19666
4184 1 14 . 1 1 30 30 TYR N N 30 130.371 130.371 125.558 4.813 19666
4185 1 14 . 1 1 30 30 TYR HA H 30 3.824 3.824 4.267 -0.443 19666
4186 1 14 . 1 1 30 30 TYR C C 30 173.213 173.213 173.456 -0.243 19666
4187 1 14 . 1 1 30 30 TYR CA C 30 58.018 58.018 56.798 1.220 19666
4188 1 14 . 1 1 30 30 TYR CB C 30 35.574 35.574 37.593 -2.019 19666
4189 1 14 . 1 1 30 30 TYR H H 30 8.378 8.378 8.655 -0.277 19666
4190 1 14 . 1 1 31 31 LEU N N 31 132.129 132.129 125.143 6.986 19666
4191 1 14 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.504 -0.649 19666
4192 1 14 . 1 1 31 31 LEU C C 31 174.716 174.716 176.059 -1.343 19666
4193 1 14 . 1 1 31 31 LEU CA C 31 52.890 52.890 53.881 -0.991 19666
4194 1 14 . 1 1 31 31 LEU CB C 31 46.322 46.322 45.188 1.135 19666
4195 1 14 . 1 1 31 31 LEU H H 31 8.015 8.015 8.492 -0.477 19666
4196 1 14 . 1 1 32 32 TRP N N 32 126.855 126.855 120.826 6.029 19666
4197 1 14 . 1 1 32 32 TRP HA H 32 3.674 3.674 4.225 -0.551 19666
4198 1 14 . 1 1 32 32 TRP C C 32 176.444 176.444 175.776 0.668 19666
4199 1 14 . 1 1 32 32 TRP CA C 32 57.808 57.808 57.999 -0.191 19666
4200 1 14 . 1 1 32 32 TRP CB C 32 24.551 24.551 27.209 -2.658 19666
4201 1 14 . 1 1 32 32 TRP H H 32 8.835 8.835 8.765 0.070 19666
4202 1 14 . 1 1 33 33 TYR N N 33 109.453 109.453 113.060 -3.607 19666
4203 1 14 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.450 -0.009 19666
4204 1 14 . 1 1 33 33 TYR C C 33 173.802 173.802 174.859 -1.057 19666
4205 1 14 . 1 1 33 33 TYR CA C 33 59.804 59.804 58.965 0.839 19666
4206 1 14 . 1 1 33 33 TYR CB C 33 35.213 35.213 36.880 -1.667 19666
4207 1 14 . 1 1 33 33 TYR H H 33 8.021 8.021 7.992 0.029 19666
4208 1 14 . 1 1 34 34 LYS N N 34 116.660 116.660 117.906 -1.246 19666
4209 1 14 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.612 -0.197 19666
4210 1 14 . 1 1 34 34 LYS C C 34 174.545 174.545 174.154 0.391 19666
4211 1 14 . 1 1 34 34 LYS CA C 34 55.268 55.268 54.588 0.680 19666
4212 1 14 . 1 1 34 34 LYS CB C 34 37.142 37.142 36.005 1.137 19666
4213 1 14 . 1 1 34 34 LYS H H 34 6.799 6.799 6.849 -0.050 19666
4214 1 14 . 1 1 35 35 TRP N N 35 122.637 122.637 123.498 -0.861 19666
4215 1 14 . 1 1 35 35 TRP HA H 35 4.565 4.565 5.283 -0.718 19666
4216 1 14 . 1 1 35 35 TRP C C 35 176.720 176.720 176.782 -0.062 19666
4217 1 14 . 1 1 35 35 TRP CA C 35 58.264 58.264 57.244 1.020 19666
4218 1 14 . 1 1 35 35 TRP CB C 35 29.346 29.346 29.617 -0.271 19666
4219 1 14 . 1 1 35 35 TRP H H 35 8.786 8.786 8.869 -0.083 19666
4220 1 14 . 1 1 36 36 ARG N N 36 125.976 125.976 124.537 1.439 19666
4221 1 14 . 1 1 36 36 ARG HA H 36 5.133 5.133 5.012 0.121 19666
4222 1 14 . 1 1 36 36 ARG CA C 36 53.125 53.125 53.128 -0.003 19666
4223 1 14 . 1 1 36 36 ARG CB C 36 31.094 31.094 31.498 -0.404 19666
4224 1 14 . 1 1 36 36 ARG H H 36 9.128 9.128 9.023 0.105 19666
4225 1 14 . 1 1 37 37 PRO HA H 37 5.364 5.364 4.585 0.779 19666
4226 1 14 . 1 1 37 37 PRO C C 37 175.961 175.961 176.041 -0.080 19666
4227 1 14 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.556 -0.536 19666
4228 1 14 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.681 -0.532 19666
4229 1 14 . 1 1 38 38 LEU N N 38 116.660 116.660 117.863 -1.203 19666
4230 1 14 . 1 1 38 38 LEU HA H 38 5.613 5.613 4.928 0.685 19666
4231 1 14 . 1 1 38 38 LEU C C 38 177.828 177.828 175.675 2.153 19666
4232 1 14 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.864 -1.376 19666
4233 1 14 . 1 1 38 38 LEU CB C 38 45.969 45.969 46.300 -0.331 19666
4234 1 14 . 1 1 38 38 LEU H H 38 7.047 7.047 8.423 -1.376 19666
4235 1 14 . 1 1 39 39 ASP N N 39 117.187 117.187 119.590 -2.403 19666
4236 1 14 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.792 -0.127 19666
4237 1 14 . 1 1 39 39 ASP C C 39 173.855 173.855 174.627 -0.772 19666
4238 1 14 . 1 1 39 39 ASP CA C 39 53.115 53.115 53.987 -0.872 19666
4239 1 14 . 1 1 39 39 ASP CB C 39 44.870 44.870 44.323 0.547 19666
4240 1 14 . 1 1 39 39 ASP H H 39 9.136 9.136 8.175 0.961 19666
4241 1 14 . 1 1 40 40 CYS N N 40 122.812 122.812 123.893 -1.081 19666
4242 1 14 . 1 1 40 40 CYS HA H 40 4.645 4.645 4.673 -0.028 19666
4243 1 14 . 1 1 40 40 CYS C C 40 173.638 173.638 174.618 -0.980 19666
4244 1 14 . 1 1 40 40 CYS CA C 40 56.149 56.149 59.603 -3.454 19666
4245 1 14 . 1 1 40 40 CYS CB C 40 38.887 38.887 25.344 13.543 19666
4246 1 14 . 1 1 40 40 CYS H H 40 8.704 8.704 8.803 -0.099 19666
4247 1 14 . 1 1 41 41 ARG N N 41 131.953 131.953 126.031 5.922 19666
4248 1 14 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.698 -0.012 19666
4249 1 14 . 1 1 41 41 ARG C C 41 175.082 175.082 175.296 -0.214 19666
4250 1 14 . 1 1 41 41 ARG CA C 41 54.050 54.050 53.582 0.468 19666
4251 1 14 . 1 1 41 41 ARG CB C 41 32.462 32.462 33.868 -1.406 19666
4252 1 14 . 1 1 41 41 ARG H H 41 8.742 8.742 8.827 -0.085 19666
4253 1 14 . 1 1 42 42 CYS N N 42 123.340 123.340 122.045 1.295 19666
4254 1 14 . 1 1 42 42 CYS HA H 42 5.216 5.216 4.866 0.350 19666
4255 1 14 . 1 1 42 42 CYS C C 42 174.439 174.439 174.980 -0.541 19666
4256 1 14 . 1 1 42 42 CYS CA C 42 55.531 55.531 58.260 -2.728 19666
4257 1 14 . 1 1 42 42 CYS CB C 42 44.384 44.384 25.593 18.791 19666
4258 1 14 . 1 1 42 42 CYS H H 42 8.945 8.945 8.751 0.194 19666
4259 1 14 . 1 1 43 43 LEU N N 43 125.976 125.976 125.510 0.466 19666
4260 1 14 . 1 1 43 43 LEU HA H 43 4.544 4.544 4.741 -0.197 19666
4261 1 14 . 1 1 43 43 LEU C C 43 176.723 176.723 174.938 1.785 19666
4262 1 14 . 1 1 43 43 LEU CA C 43 54.458 54.458 55.256 -0.798 19666
4263 1 14 . 1 1 43 43 LEU CB C 43 43.516 43.516 44.274 -0.758 19666
4264 1 14 . 1 1 43 43 LEU H H 43 8.722 8.722 8.240 0.482 19666
4265 1 14 . 1 1 44 44 LYS N N 44 122.285 122.285 122.617 -0.332 19666
4266 1 14 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.647 -0.126 19666
4267 1 14 . 1 1 44 44 LYS C C 44 176.254 176.254 175.319 0.935 19666
4268 1 14 . 1 1 44 44 LYS CA C 44 56.395 56.395 55.943 0.452 19666
4269 1 14 . 1 1 44 44 LYS CB C 44 33.171 33.171 35.912 -2.741 19666
4270 1 14 . 1 1 44 44 LYS H H 44 8.577 8.577 8.512 0.065 19666
4271 1 14 . 1 1 45 45 SER N N 45 117.715 117.715 117.460 0.255 19666
4272 1 14 . 1 1 45 45 SER HA H 45 4.562 4.562 4.705 -0.143 19666
4273 1 14 . 1 1 45 45 SER C C 45 174.264 174.264 174.784 -0.520 19666
4274 1 14 . 1 1 45 45 SER CA C 45 57.318 57.318 57.775 -0.457 19666
4275 1 14 . 1 1 45 45 SER CB C 45 64.221 64.221 63.678 0.543 19666
4276 1 14 . 1 1 45 45 SER H H 45 8.254 8.254 8.688 -0.434 19666
4277 1 14 . 1 1 46 46 GLY N N 46 111.386 111.386 111.770 -0.384 19666
4278 1 14 . 1 1 46 46 GLY C C 46 174.068 174.068 173.697 0.371 19666
4279 1 14 . 1 1 46 46 GLY CA C 46 45.310 45.310 44.604 0.706 19666
4280 1 14 . 1 1 46 46 GLY H H 46 8.405 8.405 8.663 -0.258 19666
4281 1 14 . 1 1 47 47 PHE N N 47 120.703 120.703 120.760 -0.057 19666
4282 1 14 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.878 -0.514 19666
4283 1 14 . 1 1 47 47 PHE C C 47 176.313 176.313 175.638 0.675 19666
4284 1 14 . 1 1 47 47 PHE CA C 47 58.892 58.892 56.881 2.011 19666
4285 1 14 . 1 1 47 47 PHE CB C 47 39.249 39.249 40.020 -0.771 19666
4286 1 14 . 1 1 47 47 PHE H H 47 8.362 8.362 7.646 0.716 19666
4287 1 14 . 1 1 48 48 PHE N N 48 117.363 117.363 121.689 -4.326 19666
4288 1 14 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.342 0.328 19666
4289 1 14 . 1 1 48 48 PHE C C 48 175.325 175.325 176.127 -0.802 19666
4290 1 14 . 1 1 48 48 PHE CA C 48 57.687 57.687 59.678 -1.991 19666
4291 1 14 . 1 1 48 48 PHE CB C 48 39.669 39.669 39.284 0.385 19666
4292 1 14 . 1 1 48 48 PHE H H 48 8.316 8.316 8.923 -0.607 19666
4293 1 14 . 1 1 49 49 SER N N 49 114.726 114.726 116.222 -1.496 19666
4294 1 14 . 1 1 49 49 SER HA H 49 4.498 4.498 4.581 -0.083 19666
4295 1 14 . 1 1 49 49 SER C C 49 174.190 174.190 173.486 0.704 19666
4296 1 14 . 1 1 49 49 SER CA C 49 58.441 58.441 58.182 0.259 19666
4297 1 14 . 1 1 49 49 SER CB C 49 64.234 64.234 62.920 1.314 19666
4298 1 14 . 1 1 49 49 SER H H 49 7.831 7.831 8.223 -0.392 19666
4299 1 14 . 1 1 50 50 SER N N 50 117.363 117.363 120.893 -3.530 19666
4300 1 14 . 1 1 50 50 SER HA H 50 4.682 4.682 4.479 0.203 19666
4301 1 14 . 1 1 50 50 SER C C 50 173.200 173.200 174.021 -0.821 19666
4302 1 14 . 1 1 50 50 SER CA C 50 58.394 58.394 58.325 0.070 19666
4303 1 14 . 1 1 50 50 SER CB C 50 64.843 64.843 64.170 0.673 19666
4304 1 14 . 1 1 50 50 SER H H 50 8.396 8.396 8.212 0.184 19666
4305 1 14 . 1 1 51 51 LYS N N 51 122.812 122.812 125.686 -2.874 19666
4306 1 14 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.404 0.124 19666
4307 1 14 . 1 1 51 51 LYS C C 51 175.239 175.239 176.008 -0.769 19666
4308 1 14 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.691 0.068 19666
4309 1 14 . 1 1 51 51 LYS CB C 51 34.450 34.450 33.474 0.976 19666
4310 1 14 . 1 1 51 51 LYS H H 51 8.453 8.453 8.224 0.229 19666
4311 1 14 . 1 1 52 52 CYS N N 52 124.922 124.922 124.073 0.849 19666
4312 1 14 . 1 1 52 52 CYS HA H 52 5.525 5.525 4.949 0.576 19666
4313 1 14 . 1 1 52 52 CYS C C 52 174.345 174.345 174.342 0.003 19666
4314 1 14 . 1 1 52 52 CYS CA C 52 55.786 55.786 58.360 -2.574 19666
4315 1 14 . 1 1 52 52 CYS CB C 52 47.500 47.500 25.854 21.646 19666
4316 1 14 . 1 1 52 52 CYS H H 52 8.828 8.828 8.819 0.009 19666
4317 1 14 . 1 1 53 53 VAL N N 53 117.187 117.187 119.251 -2.064 19666
4318 1 14 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.631 0.380 19666
4319 1 14 . 1 1 53 53 VAL C C 53 176.396 176.396 174.675 1.721 19666
4320 1 14 . 1 1 53 53 VAL CA C 53 59.190 59.190 59.913 -0.723 19666
4321 1 14 . 1 1 53 53 VAL CB C 53 37.293 37.293 35.167 2.126 19666
4322 1 14 . 1 1 53 53 VAL H H 53 8.625 8.625 8.276 0.349 19666
4323 1 14 . 1 1 54 54 CYS N N 54 120.703 120.703 122.494 -1.791 19666
4324 1 14 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.401 0.611 19666
4325 1 14 . 1 1 54 54 CYS C C 54 175.637 175.637 174.540 1.097 19666
4326 1 14 . 1 1 54 54 CYS CA C 54 55.432 55.432 60.542 -5.110 19666
4327 1 14 . 1 1 54 54 CYS CB C 54 40.268 40.268 25.187 15.081 19666
4328 1 14 . 1 1 54 54 CYS H H 54 8.072 8.072 8.252 -0.180 19666
4329 1 14 . 1 1 55 55 ARG N N 55 124.922 124.922 123.920 1.002 19666
4330 1 14 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.843 0.010 19666
4331 1 14 . 1 1 55 55 ARG C C 55 174.029 174.029 174.378 -0.349 19666
4332 1 14 . 1 1 55 55 ARG CA C 55 53.194 53.194 54.239 -1.045 19666
4333 1 14 . 1 1 55 55 ARG CB C 55 35.049 35.049 34.391 0.658 19666
4334 1 14 . 1 1 55 55 ARG H H 55 9.378 9.378 8.786 0.592 19666
4335 1 14 . 1 1 56 56 ASP N N 56 117.011 117.011 121.893 -4.882 19666
4336 1 14 . 1 1 56 56 ASP HA H 56 5.244 5.244 4.758 0.486 19666
4337 1 14 . 1 1 56 56 ASP C C 56 175.192 175.192 175.468 -0.276 19666
4338 1 14 . 1 1 56 56 ASP CA C 56 53.525 53.525 54.212 -0.687 19666
4339 1 14 . 1 1 56 56 ASP CB C 56 39.655 39.655 40.757 -1.102 19666
4340 1 14 . 1 1 56 56 ASP H H 56 9.693 9.693 8.711 0.982 19666
4341 1 15 . 1 1 2 2 ALA N N 2 124.746 124.746 123.745 1.001 19666
4342 1 15 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.460 -0.233 19666
4343 1 15 . 1 1 2 2 ALA C C 2 176.106 176.106 176.060 0.046 19666
4344 1 15 . 1 1 2 2 ALA CA C 2 52.504 52.504 51.532 0.972 19666
4345 1 15 . 1 1 2 2 ALA CB C 2 19.016 19.016 20.225 -1.209 19666
4346 1 15 . 1 1 2 2 ALA H H 2 8.421 8.421 8.170 0.251 19666
4347 1 15 . 1 1 3 3 LYS N N 3 120.527 120.527 118.855 1.672 19666
4348 1 15 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.638 -0.302 19666
4349 1 15 . 1 1 3 3 LYS C C 3 175.343 175.343 175.426 -0.083 19666
4350 1 15 . 1 1 3 3 LYS CA C 3 54.848 54.848 54.896 -0.048 19666
4351 1 15 . 1 1 3 3 LYS CB C 3 34.392 34.392 34.845 -0.453 19666
4352 1 15 . 1 1 3 3 LYS H H 3 8.275 8.275 8.641 -0.366 19666
4353 1 15 . 1 1 4 4 ASP N N 4 120.351 120.351 120.902 -0.551 19666
4354 1 15 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.309 0.068 19666
4355 1 15 . 1 1 4 4 ASP C C 4 177.084 177.084 177.332 -0.248 19666
4356 1 15 . 1 1 4 4 ASP CA C 4 55.908 55.908 56.114 -0.206 19666
4357 1 15 . 1 1 4 4 ASP CB C 4 41.206 41.206 40.716 0.490 19666
4358 1 15 . 1 1 4 4 ASP H H 4 8.288 8.288 8.511 -0.223 19666
4359 1 15 . 1 1 5 5 GLY N N 5 113.320 113.320 115.048 -1.728 19666
4360 1 15 . 1 1 5 5 GLY C C 5 174.205 174.205 174.074 0.131 19666
4361 1 15 . 1 1 5 5 GLY CA C 5 45.496 45.496 44.702 0.794 19666
4362 1 15 . 1 1 5 5 GLY H H 5 8.823 8.823 8.767 0.056 19666
4363 1 15 . 1 1 6 6 ASP N N 6 121.054 121.054 122.967 -1.913 19666
4364 1 15 . 1 1 6 6 ASP HA H 6 4.641 4.641 4.883 -0.242 19666
4365 1 15 . 1 1 6 6 ASP C C 6 175.139 175.139 175.342 -0.203 19666
4366 1 15 . 1 1 6 6 ASP CA C 6 55.022 55.022 55.458 -0.436 19666
4367 1 15 . 1 1 6 6 ASP CB C 6 41.095 41.095 41.967 -0.872 19666
4368 1 15 . 1 1 6 6 ASP H H 6 8.291 8.291 7.815 0.476 19666
4369 1 15 . 1 1 7 7 VAL N N 7 110.156 110.156 118.391 -8.235 19666
4370 1 15 . 1 1 7 7 VAL HA H 7 5.505 5.505 5.237 0.268 19666
4371 1 15 . 1 1 7 7 VAL C C 7 175.917 175.917 174.317 1.600 19666
4372 1 15 . 1 1 7 7 VAL CA C 7 59.486 59.486 58.995 0.491 19666
4373 1 15 . 1 1 7 7 VAL CB C 7 37.503 37.503 35.924 1.579 19666
4374 1 15 . 1 1 7 7 VAL H H 7 8.242 8.242 8.167 0.075 19666
4375 1 15 . 1 1 8 8 GLU N N 8 119.824 119.824 121.006 -1.182 19666
4376 1 15 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.658 0.050 19666
4377 1 15 . 1 1 8 8 GLU C C 8 175.138 175.138 175.617 -0.479 19666
4378 1 15 . 1 1 8 8 GLU CA C 8 55.018 55.018 54.769 0.249 19666
4379 1 15 . 1 1 8 8 GLU CB C 8 32.660 32.660 32.759 -0.099 19666
4380 1 15 . 1 1 8 8 GLU H H 8 8.428 8.428 8.743 -0.315 19666
4381 1 15 . 1 1 9 9 GLY N N 9 112.265 112.265 112.483 -0.218 19666
4382 1 15 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.514 0.173 19666
4383 1 15 . 1 1 9 9 GLY H H 9 8.498 8.498 8.320 0.178 19666
4384 1 15 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.516 -0.063 19666
4385 1 15 . 1 1 10 10 PRO C C 10 175.902 175.902 176.667 -0.765 19666
4386 1 15 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.818 -0.562 19666
4387 1 15 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.295 0.017 19666
4388 1 15 . 1 1 11 11 ALA N N 11 123.340 123.340 124.599 -1.259 19666
4389 1 15 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.133 0.028 19666
4390 1 15 . 1 1 11 11 ALA C C 11 179.442 179.442 178.221 1.221 19666
4391 1 15 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.154 0.512 19666
4392 1 15 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.639 -0.737 19666
4393 1 15 . 1 1 11 11 ALA H H 11 8.424 8.424 8.413 0.011 19666
4394 1 15 . 1 1 12 12 GLY N N 12 111.386 111.386 111.445 -0.059 19666
4395 1 15 . 1 1 12 12 GLY C C 12 174.908 174.908 174.566 0.342 19666
4396 1 15 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.564 0.591 19666
4397 1 15 . 1 1 12 12 GLY H H 12 8.795 8.795 8.579 0.216 19666
4398 1 15 . 1 1 13 13 CYS N N 13 118.593 118.593 117.183 1.410 19666
4399 1 15 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.826 -0.251 19666
4400 1 15 . 1 1 13 13 CYS C C 13 173.390 173.390 174.522 -1.132 19666
4401 1 15 . 1 1 13 13 CYS CA C 13 55.412 55.412 57.087 -1.675 19666
4402 1 15 . 1 1 13 13 CYS CB C 13 40.858 40.858 28.889 11.969 19666
4403 1 15 . 1 1 13 13 CYS H H 13 8.051 8.051 7.861 0.190 19666
4404 1 15 . 1 1 14 14 LYS N N 14 120.527 120.527 121.834 -1.307 19666
4405 1 15 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.444 -0.031 19666
4406 1 15 . 1 1 14 14 LYS C C 14 174.523 174.523 176.060 -1.537 19666
4407 1 15 . 1 1 14 14 LYS CA C 14 56.695 56.695 55.371 1.324 19666
4408 1 15 . 1 1 14 14 LYS CB C 14 34.840 34.840 33.298 1.542 19666
4409 1 15 . 1 1 14 14 LYS H H 14 8.661 8.661 8.304 0.357 19666
4410 1 15 . 1 1 15 15 LYS N N 15 120.000 120.000 118.387 1.613 19666
4411 1 15 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.861 -0.816 19666
4412 1 15 . 1 1 15 15 LYS C C 15 174.446 174.446 175.573 -1.127 19666
4413 1 15 . 1 1 15 15 LYS CA C 15 55.806 55.806 54.363 1.443 19666
4414 1 15 . 1 1 15 15 LYS CB C 15 34.975 34.975 36.302 -1.327 19666
4415 1 15 . 1 1 15 15 LYS H H 15 7.335 7.335 8.380 -1.045 19666
4416 1 15 . 1 1 16 16 TYR N N 16 118.242 118.242 122.450 -4.208 19666
4417 1 15 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.119 -0.510 19666
4418 1 15 . 1 1 16 16 TYR C C 16 176.146 176.146 175.927 0.219 19666
4419 1 15 . 1 1 16 16 TYR CA C 16 59.985 59.985 60.889 -0.904 19666
4420 1 15 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.787 0.395 19666
4421 1 15 . 1 1 16 16 TYR H H 16 9.183 9.183 8.473 0.710 19666
4422 1 15 . 1 1 17 17 ASP N N 17 123.164 123.164 122.386 0.778 19666
4423 1 15 . 1 1 17 17 ASP HA H 17 4.089 4.089 3.931 0.158 19666
4424 1 15 . 1 1 17 17 ASP C C 17 174.793 174.793 174.461 0.332 19666
4425 1 15 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.224 0.158 19666
4426 1 15 . 1 1 17 17 ASP CB C 17 39.934 39.934 39.044 0.890 19666
4427 1 15 . 1 1 17 17 ASP H H 17 9.185 9.185 7.950 1.235 19666
4428 1 15 . 1 1 18 18 VAL N N 18 121.230 121.230 116.642 4.588 19666
4429 1 15 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.178 -0.209 19666
4430 1 15 . 1 1 18 18 VAL C C 18 175.615 175.615 175.331 0.284 19666
4431 1 15 . 1 1 18 18 VAL CA C 18 62.527 62.527 60.321 2.206 19666
4432 1 15 . 1 1 18 18 VAL CB C 18 31.705 31.705 35.981 -4.276 19666
4433 1 15 . 1 1 18 18 VAL H H 18 7.873 7.873 7.596 0.277 19666
4434 1 15 . 1 1 19 19 GLU N N 19 126.328 126.328 123.689 2.639 19666
4435 1 15 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.580 0.271 19666
4436 1 15 . 1 1 19 19 GLU C C 19 175.883 175.883 176.116 -0.233 19666
4437 1 15 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.515 -0.088 19666
4438 1 15 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.790 -1.246 19666
4439 1 15 . 1 1 19 19 GLU H H 19 8.437 8.437 8.531 -0.094 19666
4440 1 15 . 1 1 20 20 CYS N N 20 117.715 117.715 118.498 -0.783 19666
4441 1 15 . 1 1 20 20 CYS HA H 20 4.920 4.920 4.954 -0.034 19666
4442 1 15 . 1 1 20 20 CYS C C 20 172.746 172.746 173.799 -1.053 19666
4443 1 15 . 1 1 20 20 CYS CA C 20 53.849 53.849 56.188 -2.339 19666
4444 1 15 . 1 1 20 20 CYS CB C 20 45.604 45.604 30.925 14.679 19666
4445 1 15 . 1 1 20 20 CYS H H 20 8.357 8.357 8.434 -0.076 19666
4446 1 15 . 1 1 21 21 ASP N N 21 119.297 119.297 121.985 -2.688 19666
4447 1 15 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.990 -0.210 19666
4448 1 15 . 1 1 21 21 ASP C C 21 175.903 175.903 176.799 -0.896 19666
4449 1 15 . 1 1 21 21 ASP CA C 21 53.839 53.839 54.114 -0.275 19666
4450 1 15 . 1 1 21 21 ASP H H 21 8.077 8.077 8.693 -0.616 19666
4451 1 15 . 1 1 22 22 SER N N 22 113.751 113.751 116.609 -2.858 19666
4452 1 15 . 1 1 22 22 SER HA H 22 4.066 4.066 4.118 -0.052 19666
4453 1 15 . 1 1 22 22 SER C C 22 175.610 175.610 174.704 0.906 19666
4454 1 15 . 1 1 22 22 SER CA C 22 59.986 59.986 59.228 0.758 19666
4455 1 15 . 1 1 22 22 SER CB C 22 63.377 63.377 62.394 0.983 19666
4456 1 15 . 1 1 22 22 SER H H 22 8.477 8.477 8.968 -0.491 19666
4457 1 15 . 1 1 23 23 GLY N N 23 112.441 112.441 106.138 6.303 19666
4458 1 15 . 1 1 23 23 GLY C C 23 175.341 175.341 174.407 0.934 19666
4459 1 15 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.918 -0.293 19666
4460 1 15 . 1 1 23 23 GLY H H 23 8.666 8.666 8.333 0.333 19666
4461 1 15 . 1 1 24 24 GLU N N 24 115.429 115.429 119.708 -4.279 19666
4462 1 15 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.643 -0.323 19666
4463 1 15 . 1 1 24 24 GLU CA C 24 56.875 56.875 55.172 1.703 19666
4464 1 15 . 1 1 24 24 GLU CB C 24 32.969 32.969 30.135 2.834 19666
4465 1 15 . 1 1 24 24 GLU H H 24 7.852 7.852 7.879 -0.027 19666
4466 1 15 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.677 0.203 19666
4467 1 15 . 1 1 25 25 CYS C C 25 175.605 175.605 175.147 0.458 19666
4468 1 15 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.496 -2.079 19666
4469 1 15 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.668 11.339 19666
4470 1 15 . 1 1 26 26 CYS N N 26 122.988 122.988 122.400 0.588 19666
4471 1 15 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.461 0.108 19666
4472 1 15 . 1 1 26 26 CYS C C 26 172.335 172.335 176.275 -3.940 19666
4473 1 15 . 1 1 26 26 CYS CA C 26 55.441 55.441 59.768 -4.327 19666
4474 1 15 . 1 1 26 26 CYS CB C 26 38.977 38.977 28.882 10.095 19666
4475 1 15 . 1 1 26 26 CYS H H 26 9.987 9.987 8.795 1.192 19666
4476 1 15 . 1 1 27 27 GLN N N 27 119.472 119.472 119.867 -0.395 19666
4477 1 15 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.157 -0.001 19666
4478 1 15 . 1 1 27 27 GLN C C 27 178.958 178.958 176.937 2.021 19666
4479 1 15 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.179 1.218 19666
4480 1 15 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.448 -0.313 19666
4481 1 15 . 1 1 27 27 GLN H H 27 8.129 8.129 8.295 -0.166 19666
4482 1 15 . 1 1 28 28 LYS N N 28 111.211 111.211 114.687 -3.476 19666
4483 1 15 . 1 1 28 28 LYS HA H 28 5.398 5.398 4.949 0.449 19666
4484 1 15 . 1 1 28 28 LYS C C 28 174.506 174.506 174.780 -0.274 19666
4485 1 15 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.412 -0.695 19666
4486 1 15 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.317 2.905 19666
4487 1 15 . 1 1 28 28 LYS H H 28 7.945 7.945 7.508 0.437 19666
4488 1 15 . 1 1 29 29 GLN N N 29 120.527 120.527 118.769 1.758 19666
4489 1 15 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.147 0.126 19666
4490 1 15 . 1 1 29 29 GLN C C 29 173.392 173.392 173.656 -0.264 19666
4491 1 15 . 1 1 29 29 GLN CA C 29 54.499 54.499 55.106 -0.607 19666
4492 1 15 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.488 -0.495 19666
4493 1 15 . 1 1 29 29 GLN H H 29 9.096 9.096 8.902 0.194 19666
4494 1 15 . 1 1 30 30 TYR N N 30 130.371 130.371 125.157 5.214 19666
4495 1 15 . 1 1 30 30 TYR HA H 30 3.824 3.824 3.968 -0.144 19666
4496 1 15 . 1 1 30 30 TYR C C 30 173.213 173.213 173.254 -0.041 19666
4497 1 15 . 1 1 30 30 TYR CA C 30 58.018 58.018 56.862 1.156 19666
4498 1 15 . 1 1 30 30 TYR CB C 30 35.574 35.574 37.385 -1.811 19666
4499 1 15 . 1 1 30 30 TYR H H 30 8.378 8.378 8.412 -0.034 19666
4500 1 15 . 1 1 31 31 LEU N N 31 132.129 132.129 124.345 7.784 19666
4501 1 15 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.442 -0.587 19666
4502 1 15 . 1 1 31 31 LEU C C 31 174.716 174.716 176.824 -2.108 19666
4503 1 15 . 1 1 31 31 LEU CA C 31 52.890 52.890 53.964 -1.073 19666
4504 1 15 . 1 1 31 31 LEU CB C 31 46.322 46.322 44.356 1.966 19666
4505 1 15 . 1 1 31 31 LEU H H 31 8.015 8.015 8.310 -0.295 19666
4506 1 15 . 1 1 32 32 TRP N N 32 126.855 126.855 122.933 3.922 19666
4507 1 15 . 1 1 32 32 TRP HA H 32 3.674 3.674 3.859 -0.185 19666
4508 1 15 . 1 1 32 32 TRP C C 32 176.444 176.444 175.363 1.081 19666
4509 1 15 . 1 1 32 32 TRP CA C 32 57.808 57.808 57.841 -0.033 19666
4510 1 15 . 1 1 32 32 TRP CB C 32 24.551 24.551 26.718 -2.167 19666
4511 1 15 . 1 1 32 32 TRP H H 32 8.835 8.835 8.504 0.331 19666
4512 1 15 . 1 1 33 33 TYR N N 33 109.453 109.453 110.558 -1.105 19666
4513 1 15 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.191 0.250 19666
4514 1 15 . 1 1 33 33 TYR C C 33 173.802 173.802 174.495 -0.693 19666
4515 1 15 . 1 1 33 33 TYR CA C 33 59.804 59.804 58.863 0.941 19666
4516 1 15 . 1 1 33 33 TYR CB C 33 35.213 35.213 36.049 -0.836 19666
4517 1 15 . 1 1 33 33 TYR H H 33 8.021 8.021 7.775 0.246 19666
4518 1 15 . 1 1 34 34 LYS N N 34 116.660 116.660 117.544 -0.884 19666
4519 1 15 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.671 -0.256 19666
4520 1 15 . 1 1 34 34 LYS C C 34 174.545 174.545 174.685 -0.140 19666
4521 1 15 . 1 1 34 34 LYS CA C 34 55.268 55.268 55.040 0.228 19666
4522 1 15 . 1 1 34 34 LYS CB C 34 37.142 37.142 35.949 1.193 19666
4523 1 15 . 1 1 34 34 LYS H H 34 6.799 6.799 7.350 -0.551 19666
4524 1 15 . 1 1 35 35 TRP N N 35 122.637 122.637 125.762 -3.125 19666
4525 1 15 . 1 1 35 35 TRP HA H 35 4.565 4.565 5.214 -0.649 19666
4526 1 15 . 1 1 35 35 TRP C C 35 176.720 176.720 177.027 -0.307 19666
4527 1 15 . 1 1 35 35 TRP CA C 35 58.264 58.264 57.570 0.694 19666
4528 1 15 . 1 1 35 35 TRP CB C 35 29.346 29.346 29.343 0.003 19666
4529 1 15 . 1 1 35 35 TRP H H 35 8.786 8.786 8.914 -0.128 19666
4530 1 15 . 1 1 36 36 ARG N N 36 125.976 125.976 124.006 1.970 19666
4531 1 15 . 1 1 36 36 ARG HA H 36 5.133 5.133 5.090 0.043 19666
4532 1 15 . 1 1 36 36 ARG CA C 36 53.125 53.125 52.938 0.187 19666
4533 1 15 . 1 1 36 36 ARG CB C 36 31.094 31.094 30.960 0.134 19666
4534 1 15 . 1 1 36 36 ARG H H 36 9.128 9.128 8.739 0.389 19666
4535 1 15 . 1 1 37 37 PRO HA H 37 5.364 5.364 4.834 0.530 19666
4536 1 15 . 1 1 37 37 PRO C C 37 175.961 175.961 176.053 -0.092 19666
4537 1 15 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.520 -0.500 19666
4538 1 15 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.788 -0.639 19666
4539 1 15 . 1 1 38 38 LEU N N 38 116.660 116.660 117.614 -0.954 19666
4540 1 15 . 1 1 38 38 LEU HA H 38 5.613 5.613 5.249 0.364 19666
4541 1 15 . 1 1 38 38 LEU C C 38 177.828 177.828 175.980 1.848 19666
4542 1 15 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.566 -1.079 19666
4543 1 15 . 1 1 38 38 LEU CB C 38 45.969 45.969 45.896 0.073 19666
4544 1 15 . 1 1 38 38 LEU H H 38 7.047 7.047 8.411 -1.364 19666
4545 1 15 . 1 1 39 39 ASP N N 39 117.187 117.187 120.906 -3.719 19666
4546 1 15 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.847 -0.182 19666
4547 1 15 . 1 1 39 39 ASP C C 39 173.855 173.855 174.813 -0.958 19666
4548 1 15 . 1 1 39 39 ASP CA C 39 53.115 53.115 52.940 0.175 19666
4549 1 15 . 1 1 39 39 ASP CB C 39 44.870 44.870 44.043 0.827 19666
4550 1 15 . 1 1 39 39 ASP H H 39 9.136 9.136 8.465 0.671 19666
4551 1 15 . 1 1 40 40 CYS N N 40 122.812 122.812 125.132 -2.320 19666
4552 1 15 . 1 1 40 40 CYS HA H 40 4.645 4.645 4.493 0.152 19666
4553 1 15 . 1 1 40 40 CYS C C 40 173.638 173.638 174.613 -0.975 19666
4554 1 15 . 1 1 40 40 CYS CA C 40 56.149 56.149 59.491 -3.342 19666
4555 1 15 . 1 1 40 40 CYS CB C 40 38.887 38.887 25.069 13.818 19666
4556 1 15 . 1 1 40 40 CYS H H 40 8.704 8.704 8.970 -0.266 19666
4557 1 15 . 1 1 41 41 ARG N N 41 131.953 131.953 126.683 5.270 19666
4558 1 15 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.671 0.015 19666
4559 1 15 . 1 1 41 41 ARG C C 41 175.082 175.082 174.817 0.265 19666
4560 1 15 . 1 1 41 41 ARG CA C 41 54.050 54.050 53.886 0.164 19666
4561 1 15 . 1 1 41 41 ARG CB C 41 32.462 32.462 34.259 -1.797 19666
4562 1 15 . 1 1 41 41 ARG H H 41 8.742 8.742 8.560 0.182 19666
4563 1 15 . 1 1 42 42 CYS N N 42 123.340 123.340 120.159 3.181 19666
4564 1 15 . 1 1 42 42 CYS HA H 42 5.216 5.216 5.266 -0.050 19666
4565 1 15 . 1 1 42 42 CYS C C 42 174.439 174.439 174.985 -0.546 19666
4566 1 15 . 1 1 42 42 CYS CA C 42 55.531 55.531 57.981 -2.450 19666
4567 1 15 . 1 1 42 42 CYS CB C 42 44.384 44.384 25.938 18.446 19666
4568 1 15 . 1 1 42 42 CYS H H 42 8.945 8.945 8.754 0.191 19666
4569 1 15 . 1 1 43 43 LEU N N 43 125.976 125.976 124.138 1.838 19666
4570 1 15 . 1 1 43 43 LEU HA H 43 4.544 4.544 4.730 -0.186 19666
4571 1 15 . 1 1 43 43 LEU C C 43 176.723 176.723 175.517 1.206 19666
4572 1 15 . 1 1 43 43 LEU CA C 43 54.458 54.458 55.133 -0.675 19666
4573 1 15 . 1 1 43 43 LEU CB C 43 43.516 43.516 44.221 -0.705 19666
4574 1 15 . 1 1 43 43 LEU H H 43 8.722 8.722 8.113 0.609 19666
4575 1 15 . 1 1 44 44 LYS N N 44 122.285 122.285 122.210 0.075 19666
4576 1 15 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.503 0.018 19666
4577 1 15 . 1 1 44 44 LYS C C 44 176.254 176.254 175.467 0.787 19666
4578 1 15 . 1 1 44 44 LYS CA C 44 56.395 56.395 55.612 0.783 19666
4579 1 15 . 1 1 44 44 LYS CB C 44 33.171 33.171 34.710 -1.539 19666
4580 1 15 . 1 1 44 44 LYS H H 44 8.577 8.577 8.445 0.132 19666
4581 1 15 . 1 1 45 45 SER N N 45 117.715 117.715 117.454 0.261 19666
4582 1 15 . 1 1 45 45 SER HA H 45 4.562 4.562 4.613 -0.051 19666
4583 1 15 . 1 1 45 45 SER C C 45 174.264 174.264 175.006 -0.742 19666
4584 1 15 . 1 1 45 45 SER CA C 45 57.318 57.318 57.708 -0.390 19666
4585 1 15 . 1 1 45 45 SER CB C 45 64.221 64.221 62.907 1.314 19666
4586 1 15 . 1 1 45 45 SER H H 45 8.254 8.254 8.572 -0.318 19666
4587 1 15 . 1 1 46 46 GLY N N 46 111.386 111.386 114.180 -2.794 19666
4588 1 15 . 1 1 46 46 GLY C C 46 174.068 174.068 173.702 0.366 19666
4589 1 15 . 1 1 46 46 GLY CA C 46 45.310 45.310 44.670 0.640 19666
4590 1 15 . 1 1 46 46 GLY H H 46 8.405 8.405 8.632 -0.227 19666
4591 1 15 . 1 1 47 47 PHE N N 47 120.703 120.703 120.998 -0.295 19666
4592 1 15 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.761 -0.397 19666
4593 1 15 . 1 1 47 47 PHE C C 47 176.313 176.313 175.932 0.381 19666
4594 1 15 . 1 1 47 47 PHE CA C 47 58.892 58.892 56.743 2.149 19666
4595 1 15 . 1 1 47 47 PHE CB C 47 39.249 39.249 40.174 -0.925 19666
4596 1 15 . 1 1 47 47 PHE H H 47 8.362 8.362 7.650 0.712 19666
4597 1 15 . 1 1 48 48 PHE N N 48 117.363 117.363 119.998 -2.635 19666
4598 1 15 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.442 0.228 19666
4599 1 15 . 1 1 48 48 PHE C C 48 175.325 175.325 175.869 -0.544 19666
4600 1 15 . 1 1 48 48 PHE CA C 48 57.687 57.687 58.707 -1.020 19666
4601 1 15 . 1 1 48 48 PHE CB C 48 39.669 39.669 38.949 0.720 19666
4602 1 15 . 1 1 48 48 PHE H H 48 8.316 8.316 8.404 -0.088 19666
4603 1 15 . 1 1 49 49 SER N N 49 114.726 114.726 117.424 -2.698 19666
4604 1 15 . 1 1 49 49 SER HA H 49 4.498 4.498 4.494 0.004 19666
4605 1 15 . 1 1 49 49 SER C C 49 174.190 174.190 173.426 0.764 19666
4606 1 15 . 1 1 49 49 SER CA C 49 58.441 58.441 57.538 0.903 19666
4607 1 15 . 1 1 49 49 SER CB C 49 64.234 64.234 63.079 1.155 19666
4608 1 15 . 1 1 49 49 SER H H 49 7.831 7.831 7.002 0.829 19666
4609 1 15 . 1 1 50 50 SER N N 50 117.363 117.363 120.148 -2.785 19666
4610 1 15 . 1 1 50 50 SER HA H 50 4.682 4.682 4.441 0.241 19666
4611 1 15 . 1 1 50 50 SER C C 50 173.200 173.200 173.628 -0.428 19666
4612 1 15 . 1 1 50 50 SER CA C 50 58.394 58.394 58.336 0.058 19666
4613 1 15 . 1 1 50 50 SER CB C 50 64.843 64.843 64.238 0.605 19666
4614 1 15 . 1 1 50 50 SER H H 50 8.396 8.396 8.218 0.178 19666
4615 1 15 . 1 1 51 51 LYS N N 51 122.812 122.812 123.295 -0.483 19666
4616 1 15 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.380 0.148 19666
4617 1 15 . 1 1 51 51 LYS C C 51 175.239 175.239 176.140 -0.901 19666
4618 1 15 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.427 0.332 19666
4619 1 15 . 1 1 51 51 LYS CB C 51 34.450 34.450 34.256 0.194 19666
4620 1 15 . 1 1 51 51 LYS H H 51 8.453 8.453 8.096 0.357 19666
4621 1 15 . 1 1 52 52 CYS N N 52 124.922 124.922 123.206 1.716 19666
4622 1 15 . 1 1 52 52 CYS HA H 52 5.525 5.525 4.931 0.594 19666
4623 1 15 . 1 1 52 52 CYS C C 52 174.345 174.345 174.434 -0.089 19666
4624 1 15 . 1 1 52 52 CYS CA C 52 55.786 55.786 58.210 -2.424 19666
4625 1 15 . 1 1 52 52 CYS CB C 52 47.500 47.500 25.403 22.097 19666
4626 1 15 . 1 1 52 52 CYS H H 52 8.828 8.828 8.866 -0.038 19666
4627 1 15 . 1 1 53 53 VAL N N 53 117.187 117.187 118.745 -1.558 19666
4628 1 15 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.876 0.135 19666
4629 1 15 . 1 1 53 53 VAL C C 53 176.396 176.396 174.318 2.078 19666
4630 1 15 . 1 1 53 53 VAL CA C 53 59.190 59.190 58.270 0.920 19666
4631 1 15 . 1 1 53 53 VAL CB C 53 37.293 37.293 34.443 2.850 19666
4632 1 15 . 1 1 53 53 VAL H H 53 8.625 8.625 8.969 -0.344 19666
4633 1 15 . 1 1 54 54 CYS N N 54 120.703 120.703 120.181 0.522 19666
4634 1 15 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.557 0.455 19666
4635 1 15 . 1 1 54 54 CYS C C 54 175.637 175.637 174.300 1.337 19666
4636 1 15 . 1 1 54 54 CYS CA C 54 55.432 55.432 59.709 -4.277 19666
4637 1 15 . 1 1 54 54 CYS CB C 54 40.268 40.268 26.244 14.024 19666
4638 1 15 . 1 1 54 54 CYS H H 54 8.072 8.072 8.301 -0.229 19666
4639 1 15 . 1 1 55 55 ARG N N 55 124.922 124.922 122.478 2.444 19666
4640 1 15 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.760 0.093 19666
4641 1 15 . 1 1 55 55 ARG C C 55 174.029 174.029 174.564 -0.535 19666
4642 1 15 . 1 1 55 55 ARG CA C 55 53.194 53.194 54.052 -0.858 19666
4643 1 15 . 1 1 55 55 ARG CB C 55 35.049 35.049 34.772 0.277 19666
4644 1 15 . 1 1 55 55 ARG H H 55 9.378 9.378 8.139 1.239 19666
4645 1 15 . 1 1 56 56 ASP N N 56 117.011 117.011 122.000 -4.989 19666
4646 1 15 . 1 1 56 56 ASP HA H 56 5.244 5.244 5.062 0.182 19666
4647 1 15 . 1 1 56 56 ASP C C 56 175.192 175.192 175.811 -0.619 19666
4648 1 15 . 1 1 56 56 ASP CA C 56 53.525 53.525 54.442 -0.917 19666
4649 1 15 . 1 1 56 56 ASP CB C 56 39.655 39.655 41.228 -1.573 19666
4650 1 15 . 1 1 56 56 ASP H H 56 9.693 9.693 8.820 0.873 19666
4651 1 16 . 1 1 2 2 ALA N N 2 124.746 124.746 125.035 -0.289 19666
4652 1 16 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.388 -0.161 19666
4653 1 16 . 1 1 2 2 ALA C C 2 176.106 176.106 177.087 -0.981 19666
4654 1 16 . 1 1 2 2 ALA CA C 2 52.504 52.504 51.589 0.915 19666
4655 1 16 . 1 1 2 2 ALA CB C 2 19.016 19.016 19.093 -0.077 19666
4656 1 16 . 1 1 2 2 ALA H H 2 8.421 8.421 7.970 0.451 19666
4657 1 16 . 1 1 3 3 LYS N N 3 120.527 120.527 122.693 -2.166 19666
4658 1 16 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.053 0.283 19666
4659 1 16 . 1 1 3 3 LYS C C 3 175.343 175.343 176.127 -0.784 19666
4660 1 16 . 1 1 3 3 LYS CA C 3 54.848 54.848 56.464 -1.616 19666
4661 1 16 . 1 1 3 3 LYS CB C 3 34.392 34.392 33.498 0.893 19666
4662 1 16 . 1 1 3 3 LYS H H 3 8.275 8.275 8.415 -0.140 19666
4663 1 16 . 1 1 4 4 ASP N N 4 120.351 120.351 120.756 -0.405 19666
4664 1 16 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.449 -0.072 19666
4665 1 16 . 1 1 4 4 ASP C C 4 177.084 177.084 177.534 -0.450 19666
4666 1 16 . 1 1 4 4 ASP CA C 4 55.908 55.908 55.838 0.070 19666
4667 1 16 . 1 1 4 4 ASP CB C 4 41.206 41.206 41.150 0.056 19666
4668 1 16 . 1 1 4 4 ASP H H 4 8.288 8.288 8.300 -0.012 19666
4669 1 16 . 1 1 5 5 GLY N N 5 113.320 113.320 112.610 0.710 19666
4670 1 16 . 1 1 5 5 GLY C C 5 174.205 174.205 174.088 0.117 19666
4671 1 16 . 1 1 5 5 GLY CA C 5 45.496 45.496 45.157 0.339 19666
4672 1 16 . 1 1 5 5 GLY H H 5 8.823 8.823 8.903 -0.080 19666
4673 1 16 . 1 1 6 6 ASP N N 6 121.054 121.054 121.257 -0.203 19666
4674 1 16 . 1 1 6 6 ASP HA H 6 4.641 4.641 5.148 -0.507 19666
4675 1 16 . 1 1 6 6 ASP C C 6 175.139 175.139 175.417 -0.278 19666
4676 1 16 . 1 1 6 6 ASP CA C 6 55.022 55.022 53.838 1.184 19666
4677 1 16 . 1 1 6 6 ASP CB C 6 41.095 41.095 42.647 -1.552 19666
4678 1 16 . 1 1 6 6 ASP H H 6 8.291 8.291 7.783 0.508 19666
4679 1 16 . 1 1 7 7 VAL N N 7 110.156 110.156 115.545 -5.389 19666
4680 1 16 . 1 1 7 7 VAL HA H 7 5.505 5.505 5.126 0.379 19666
4681 1 16 . 1 1 7 7 VAL C C 7 175.917 175.917 174.079 1.838 19666
4682 1 16 . 1 1 7 7 VAL CA C 7 59.486 59.486 59.051 0.435 19666
4683 1 16 . 1 1 7 7 VAL CB C 7 37.503 37.503 35.877 1.626 19666
4684 1 16 . 1 1 7 7 VAL H H 7 8.242 8.242 8.280 -0.038 19666
4685 1 16 . 1 1 8 8 GLU N N 8 119.824 119.824 121.490 -1.666 19666
4686 1 16 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.638 0.070 19666
4687 1 16 . 1 1 8 8 GLU C C 8 175.138 175.138 175.167 -0.029 19666
4688 1 16 . 1 1 8 8 GLU CA C 8 55.018 55.018 54.648 0.370 19666
4689 1 16 . 1 1 8 8 GLU CB C 8 32.660 32.660 32.529 0.132 19666
4690 1 16 . 1 1 8 8 GLU H H 8 8.428 8.428 8.795 -0.367 19666
4691 1 16 . 1 1 9 9 GLY N N 9 112.265 112.265 112.276 -0.011 19666
4692 1 16 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.401 0.286 19666
4693 1 16 . 1 1 9 9 GLY H H 9 8.498 8.498 8.105 0.393 19666
4694 1 16 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.502 -0.049 19666
4695 1 16 . 1 1 10 10 PRO C C 10 175.902 175.902 176.658 -0.756 19666
4696 1 16 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.816 -0.560 19666
4697 1 16 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.254 0.058 19666
4698 1 16 . 1 1 11 11 ALA N N 11 123.340 123.340 124.779 -1.439 19666
4699 1 16 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.127 0.034 19666
4700 1 16 . 1 1 11 11 ALA C C 11 179.442 179.442 178.204 1.238 19666
4701 1 16 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.186 0.480 19666
4702 1 16 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.641 -0.739 19666
4703 1 16 . 1 1 11 11 ALA H H 11 8.424 8.424 8.414 0.010 19666
4704 1 16 . 1 1 12 12 GLY N N 12 111.386 111.386 111.669 -0.283 19666
4705 1 16 . 1 1 12 12 GLY C C 12 174.908 174.908 174.790 0.118 19666
4706 1 16 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.517 0.638 19666
4707 1 16 . 1 1 12 12 GLY H H 12 8.795 8.795 8.592 0.203 19666
4708 1 16 . 1 1 13 13 CYS N N 13 118.593 118.593 117.356 1.237 19666
4709 1 16 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.731 -0.156 19666
4710 1 16 . 1 1 13 13 CYS C C 13 173.390 173.390 174.866 -1.476 19666
4711 1 16 . 1 1 13 13 CYS CA C 13 55.412 55.412 56.993 -1.581 19666
4712 1 16 . 1 1 13 13 CYS CB C 13 40.858 40.858 28.811 12.047 19666
4713 1 16 . 1 1 13 13 CYS H H 13 8.051 8.051 7.907 0.144 19666
4714 1 16 . 1 1 14 14 LYS N N 14 120.527 120.527 122.333 -1.806 19666
4715 1 16 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.407 0.006 19666
4716 1 16 . 1 1 14 14 LYS C C 14 174.523 174.523 176.343 -1.820 19666
4717 1 16 . 1 1 14 14 LYS CA C 14 56.695 56.695 55.291 1.404 19666
4718 1 16 . 1 1 14 14 LYS CB C 14 34.840 34.840 31.823 3.017 19666
4719 1 16 . 1 1 14 14 LYS H H 14 8.661 8.661 8.397 0.264 19666
4720 1 16 . 1 1 15 15 LYS N N 15 120.000 120.000 124.099 -4.099 19666
4721 1 16 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.298 -0.253 19666
4722 1 16 . 1 1 15 15 LYS C C 15 174.446 174.446 176.176 -1.730 19666
4723 1 16 . 1 1 15 15 LYS CA C 15 55.806 55.806 55.903 -0.097 19666
4724 1 16 . 1 1 15 15 LYS CB C 15 34.975 34.975 33.823 1.152 19666
4725 1 16 . 1 1 15 15 LYS H H 15 7.335 7.335 8.450 -1.115 19666
4726 1 16 . 1 1 16 16 TYR N N 16 118.242 118.242 120.605 -2.363 19666
4727 1 16 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.213 -0.604 19666
4728 1 16 . 1 1 16 16 TYR C C 16 176.146 176.146 176.386 -0.240 19666
4729 1 16 . 1 1 16 16 TYR CA C 16 59.985 59.985 59.823 0.162 19666
4730 1 16 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.831 0.351 19666
4731 1 16 . 1 1 16 16 TYR H H 16 9.183 9.183 7.886 1.297 19666
4732 1 16 . 1 1 17 17 ASP N N 17 123.164 123.164 120.473 2.691 19666
4733 1 16 . 1 1 17 17 ASP HA H 17 4.089 4.089 3.826 0.263 19666
4734 1 16 . 1 1 17 17 ASP C C 17 174.793 174.793 174.143 0.650 19666
4735 1 16 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.402 -0.020 19666
4736 1 16 . 1 1 17 17 ASP CB C 17 39.934 39.934 39.303 0.631 19666
4737 1 16 . 1 1 17 17 ASP H H 17 9.185 9.185 7.762 1.423 19666
4738 1 16 . 1 1 18 18 VAL N N 18 121.230 121.230 115.374 5.856 19666
4739 1 16 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.146 -0.177 19666
4740 1 16 . 1 1 18 18 VAL C C 18 175.615 175.615 175.112 0.503 19666
4741 1 16 . 1 1 18 18 VAL CA C 18 62.527 62.527 60.273 2.254 19666
4742 1 16 . 1 1 18 18 VAL CB C 18 31.705 31.705 36.391 -4.686 19666
4743 1 16 . 1 1 18 18 VAL H H 18 7.873 7.873 7.511 0.362 19666
4744 1 16 . 1 1 19 19 GLU N N 19 126.328 126.328 123.789 2.539 19666
4745 1 16 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.449 0.402 19666
4746 1 16 . 1 1 19 19 GLU C C 19 175.883 175.883 175.794 0.089 19666
4747 1 16 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.664 -0.237 19666
4748 1 16 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.818 -1.275 19666
4749 1 16 . 1 1 19 19 GLU H H 19 8.437 8.437 8.529 -0.092 19666
4750 1 16 . 1 1 20 20 CYS N N 20 117.715 117.715 115.034 2.681 19666
4751 1 16 . 1 1 20 20 CYS HA H 20 4.920 4.920 4.883 0.037 19666
4752 1 16 . 1 1 20 20 CYS C C 20 172.746 172.746 173.774 -1.028 19666
4753 1 16 . 1 1 20 20 CYS CA C 20 53.849 53.849 56.435 -2.586 19666
4754 1 16 . 1 1 20 20 CYS CB C 20 45.604 45.604 30.769 14.835 19666
4755 1 16 . 1 1 20 20 CYS H H 20 8.357 8.357 8.354 0.003 19666
4756 1 16 . 1 1 21 21 ASP N N 21 119.297 119.297 121.990 -2.693 19666
4757 1 16 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.964 -0.184 19666
4758 1 16 . 1 1 21 21 ASP C C 21 175.903 175.903 176.469 -0.566 19666
4759 1 16 . 1 1 21 21 ASP CA C 21 53.839 53.839 54.226 -0.387 19666
4760 1 16 . 1 1 21 21 ASP H H 21 8.077 8.077 8.666 -0.589 19666
4761 1 16 . 1 1 22 22 SER N N 22 113.751 113.751 115.623 -1.872 19666
4762 1 16 . 1 1 22 22 SER HA H 22 4.066 4.066 4.114 -0.048 19666
4763 1 16 . 1 1 22 22 SER C C 22 175.610 175.610 174.722 0.888 19666
4764 1 16 . 1 1 22 22 SER CA C 22 59.986 59.986 58.970 1.016 19666
4765 1 16 . 1 1 22 22 SER CB C 22 63.377 63.377 62.387 0.990 19666
4766 1 16 . 1 1 22 22 SER H H 22 8.477 8.477 8.948 -0.471 19666
4767 1 16 . 1 1 23 23 GLY N N 23 112.441 112.441 106.038 6.403 19666
4768 1 16 . 1 1 23 23 GLY C C 23 175.341 175.341 174.531 0.810 19666
4769 1 16 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.787 -0.162 19666
4770 1 16 . 1 1 23 23 GLY H H 23 8.666 8.666 8.427 0.239 19666
4771 1 16 . 1 1 24 24 GLU N N 24 115.429 115.429 119.908 -4.479 19666
4772 1 16 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.582 -0.262 19666
4773 1 16 . 1 1 24 24 GLU CA C 24 56.875 56.875 56.010 0.865 19666
4774 1 16 . 1 1 24 24 GLU CB C 24 32.969 32.969 30.988 1.981 19666
4775 1 16 . 1 1 24 24 GLU H H 24 7.852 7.852 7.842 0.010 19666
4776 1 16 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.669 0.211 19666
4777 1 16 . 1 1 25 25 CYS C C 25 175.605 175.605 175.252 0.353 19666
4778 1 16 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.880 -2.463 19666
4779 1 16 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.733 11.274 19666
4780 1 16 . 1 1 26 26 CYS N N 26 122.988 122.988 121.343 1.645 19666
4781 1 16 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.341 0.228 19666
4782 1 16 . 1 1 26 26 CYS C C 26 172.335 172.335 176.500 -4.165 19666
4783 1 16 . 1 1 26 26 CYS CA C 26 55.441 55.441 60.226 -4.785 19666
4784 1 16 . 1 1 26 26 CYS CB C 26 38.977 38.977 28.680 10.297 19666
4785 1 16 . 1 1 26 26 CYS H H 26 9.987 9.987 8.707 1.280 19666
4786 1 16 . 1 1 27 27 GLN N N 27 119.472 119.472 119.871 -0.399 19666
4787 1 16 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.116 0.040 19666
4788 1 16 . 1 1 27 27 GLN C C 27 178.958 178.958 176.971 1.987 19666
4789 1 16 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.166 1.231 19666
4790 1 16 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.302 -0.168 19666
4791 1 16 . 1 1 27 27 GLN H H 27 8.129 8.129 8.262 -0.133 19666
4792 1 16 . 1 1 28 28 LYS N N 28 111.211 111.211 115.189 -3.978 19666
4793 1 16 . 1 1 28 28 LYS HA H 28 5.398 5.398 4.925 0.473 19666
4794 1 16 . 1 1 28 28 LYS C C 28 174.506 174.506 174.707 -0.201 19666
4795 1 16 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.559 -0.841 19666
4796 1 16 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.306 2.916 19666
4797 1 16 . 1 1 28 28 LYS H H 28 7.945 7.945 7.484 0.461 19666
4798 1 16 . 1 1 29 29 GLN N N 29 120.527 120.527 118.834 1.693 19666
4799 1 16 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.195 0.078 19666
4800 1 16 . 1 1 29 29 GLN C C 29 173.392 173.392 173.806 -0.414 19666
4801 1 16 . 1 1 29 29 GLN CA C 29 54.499 54.499 55.188 -0.689 19666
4802 1 16 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.545 -0.553 19666
4803 1 16 . 1 1 29 29 GLN H H 29 9.096 9.096 9.072 0.024 19666
4804 1 16 . 1 1 30 30 TYR N N 30 130.371 130.371 126.049 4.322 19666
4805 1 16 . 1 1 30 30 TYR HA H 30 3.824 3.824 4.168 -0.344 19666
4806 1 16 . 1 1 30 30 TYR C C 30 173.213 173.213 173.504 -0.291 19666
4807 1 16 . 1 1 30 30 TYR CA C 30 58.018 58.018 57.399 0.619 19666
4808 1 16 . 1 1 30 30 TYR CB C 30 35.574 35.574 37.727 -2.153 19666
4809 1 16 . 1 1 30 30 TYR H H 30 8.378 8.378 8.279 0.099 19666
4810 1 16 . 1 1 31 31 LEU N N 31 132.129 132.129 125.158 6.971 19666
4811 1 16 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.405 -0.550 19666
4812 1 16 . 1 1 31 31 LEU C C 31 174.716 174.716 176.237 -1.521 19666
4813 1 16 . 1 1 31 31 LEU CA C 31 52.890 52.890 53.743 -0.853 19666
4814 1 16 . 1 1 31 31 LEU CB C 31 46.322 46.322 45.306 1.016 19666
4815 1 16 . 1 1 31 31 LEU H H 31 8.015 8.015 8.447 -0.432 19666
4816 1 16 . 1 1 32 32 TRP N N 32 126.855 126.855 122.018 4.837 19666
4817 1 16 . 1 1 32 32 TRP HA H 32 3.674 3.674 3.823 -0.149 19666
4818 1 16 . 1 1 32 32 TRP C C 32 176.444 176.444 175.629 0.815 19666
4819 1 16 . 1 1 32 32 TRP CA C 32 57.808 57.808 57.303 0.505 19666
4820 1 16 . 1 1 32 32 TRP CB C 32 24.551 24.551 27.202 -2.651 19666
4821 1 16 . 1 1 32 32 TRP H H 32 8.835 8.835 8.469 0.366 19666
4822 1 16 . 1 1 33 33 TYR N N 33 109.453 109.453 111.261 -1.808 19666
4823 1 16 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.487 -0.046 19666
4824 1 16 . 1 1 33 33 TYR C C 33 173.802 173.802 174.682 -0.880 19666
4825 1 16 . 1 1 33 33 TYR CA C 33 59.804 59.804 58.576 1.228 19666
4826 1 16 . 1 1 33 33 TYR CB C 33 35.213 35.213 36.683 -1.470 19666
4827 1 16 . 1 1 33 33 TYR H H 33 8.021 8.021 7.751 0.270 19666
4828 1 16 . 1 1 34 34 LYS N N 34 116.660 116.660 117.546 -0.886 19666
4829 1 16 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.592 -0.177 19666
4830 1 16 . 1 1 34 34 LYS C C 34 174.545 174.545 174.149 0.396 19666
4831 1 16 . 1 1 34 34 LYS CA C 34 55.268 55.268 55.634 -0.366 19666
4832 1 16 . 1 1 34 34 LYS CB C 34 37.142 37.142 36.081 1.061 19666
4833 1 16 . 1 1 34 34 LYS H H 34 6.799 6.799 7.050 -0.251 19666
4834 1 16 . 1 1 35 35 TRP N N 35 122.637 122.637 124.504 -1.867 19666
4835 1 16 . 1 1 35 35 TRP HA H 35 4.565 4.565 5.337 -0.772 19666
4836 1 16 . 1 1 35 35 TRP C C 35 176.720 176.720 176.921 -0.201 19666
4837 1 16 . 1 1 35 35 TRP CA C 35 58.264 58.264 57.288 0.976 19666
4838 1 16 . 1 1 35 35 TRP CB C 35 29.346 29.346 29.692 -0.346 19666
4839 1 16 . 1 1 35 35 TRP H H 35 8.786 8.786 8.712 0.074 19666
4840 1 16 . 1 1 36 36 ARG N N 36 125.976 125.976 125.147 0.829 19666
4841 1 16 . 1 1 36 36 ARG HA H 36 5.133 5.133 4.962 0.171 19666
4842 1 16 . 1 1 36 36 ARG CA C 36 53.125 53.125 53.098 0.027 19666
4843 1 16 . 1 1 36 36 ARG CB C 36 31.094 31.094 31.400 -0.306 19666
4844 1 16 . 1 1 36 36 ARG H H 36 9.128 9.128 8.985 0.143 19666
4845 1 16 . 1 1 37 37 PRO HA H 37 5.364 5.364 4.768 0.596 19666
4846 1 16 . 1 1 37 37 PRO C C 37 175.961 175.961 176.044 -0.083 19666
4847 1 16 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.513 -0.493 19666
4848 1 16 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.714 -0.565 19666
4849 1 16 . 1 1 38 38 LEU N N 38 116.660 116.660 117.560 -0.900 19666
4850 1 16 . 1 1 38 38 LEU HA H 38 5.613 5.613 5.018 0.595 19666
4851 1 16 . 1 1 38 38 LEU C C 38 177.828 177.828 175.646 2.182 19666
4852 1 16 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.806 -1.318 19666
4853 1 16 . 1 1 38 38 LEU CB C 38 45.969 45.969 46.277 -0.308 19666
4854 1 16 . 1 1 38 38 LEU H H 38 7.047 7.047 8.398 -1.351 19666
4855 1 16 . 1 1 39 39 ASP N N 39 117.187 117.187 119.388 -2.201 19666
4856 1 16 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.783 -0.118 19666
4857 1 16 . 1 1 39 39 ASP C C 39 173.855 173.855 174.403 -0.548 19666
4858 1 16 . 1 1 39 39 ASP CA C 39 53.115 53.115 53.755 -0.640 19666
4859 1 16 . 1 1 39 39 ASP CB C 39 44.870 44.870 44.311 0.559 19666
4860 1 16 . 1 1 39 39 ASP H H 39 9.136 9.136 8.160 0.976 19666
4861 1 16 . 1 1 40 40 CYS N N 40 122.812 122.812 123.869 -1.057 19666
4862 1 16 . 1 1 40 40 CYS HA H 40 4.645 4.645 4.448 0.197 19666
4863 1 16 . 1 1 40 40 CYS C C 40 173.638 173.638 174.254 -0.616 19666
4864 1 16 . 1 1 40 40 CYS CA C 40 56.149 56.149 60.891 -4.742 19666
4865 1 16 . 1 1 40 40 CYS CB C 40 38.887 38.887 24.699 14.188 19666
4866 1 16 . 1 1 40 40 CYS H H 40 8.704 8.704 8.752 -0.048 19666
4867 1 16 . 1 1 41 41 ARG N N 41 131.953 131.953 127.168 4.785 19666
4868 1 16 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.626 0.060 19666
4869 1 16 . 1 1 41 41 ARG C C 41 175.082 175.082 174.748 0.334 19666
4870 1 16 . 1 1 41 41 ARG CA C 41 54.050 54.050 54.411 -0.361 19666
4871 1 16 . 1 1 41 41 ARG CB C 41 32.462 32.462 33.124 -0.662 19666
4872 1 16 . 1 1 41 41 ARG H H 41 8.742 8.742 8.746 -0.004 19666
4873 1 16 . 1 1 42 42 CYS N N 42 123.340 123.340 123.648 -0.308 19666
4874 1 16 . 1 1 42 42 CYS HA H 42 5.216 5.216 5.463 -0.247 19666
4875 1 16 . 1 1 42 42 CYS C C 42 174.439 174.439 174.532 -0.093 19666
4876 1 16 . 1 1 42 42 CYS CA C 42 55.531 55.531 57.975 -2.445 19666
4877 1 16 . 1 1 42 42 CYS CB C 42 44.384 44.384 27.073 17.311 19666
4878 1 16 . 1 1 42 42 CYS H H 42 8.945 8.945 8.677 0.268 19666
4879 1 16 . 1 1 43 43 LEU N N 43 125.976 125.976 125.198 0.778 19666
4880 1 16 . 1 1 43 43 LEU HA H 43 4.544 4.544 4.863 -0.319 19666
4881 1 16 . 1 1 43 43 LEU C C 43 176.723 176.723 174.321 2.402 19666
4882 1 16 . 1 1 43 43 LEU CA C 43 54.458 54.458 54.586 -0.128 19666
4883 1 16 . 1 1 43 43 LEU CB C 43 43.516 43.516 44.785 -1.269 19666
4884 1 16 . 1 1 43 43 LEU H H 43 8.722 8.722 8.417 0.305 19666
4885 1 16 . 1 1 44 44 LYS N N 44 122.285 122.285 119.683 2.602 19666
4886 1 16 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.588 -0.067 19666
4887 1 16 . 1 1 44 44 LYS C C 44 176.254 176.254 175.340 0.914 19666
4888 1 16 . 1 1 44 44 LYS CA C 44 56.395 56.395 55.969 0.426 19666
4889 1 16 . 1 1 44 44 LYS CB C 44 33.171 33.171 34.130 -0.959 19666
4890 1 16 . 1 1 44 44 LYS H H 44 8.577 8.577 8.333 0.244 19666
4891 1 16 . 1 1 45 45 SER N N 45 117.715 117.715 117.960 -0.245 19666
4892 1 16 . 1 1 45 45 SER HA H 45 4.562 4.562 4.647 -0.085 19666
4893 1 16 . 1 1 45 45 SER C C 45 174.264 174.264 174.376 -0.112 19666
4894 1 16 . 1 1 45 45 SER CA C 45 57.318 57.318 57.819 -0.501 19666
4895 1 16 . 1 1 45 45 SER CB C 45 64.221 64.221 63.319 0.902 19666
4896 1 16 . 1 1 45 45 SER H H 45 8.254 8.254 8.656 -0.402 19666
4897 1 16 . 1 1 46 46 GLY N N 46 111.386 111.386 110.623 0.763 19666
4898 1 16 . 1 1 46 46 GLY C C 46 174.068 174.068 174.272 -0.204 19666
4899 1 16 . 1 1 46 46 GLY CA C 46 45.310 45.310 45.951 -0.641 19666
4900 1 16 . 1 1 46 46 GLY H H 46 8.405 8.405 8.600 -0.195 19666
4901 1 16 . 1 1 47 47 PHE N N 47 120.703 120.703 118.343 2.360 19666
4902 1 16 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.573 -0.209 19666
4903 1 16 . 1 1 47 47 PHE C C 47 176.313 176.313 175.997 0.316 19666
4904 1 16 . 1 1 47 47 PHE CA C 47 58.892 58.892 57.134 1.758 19666
4905 1 16 . 1 1 47 47 PHE CB C 47 39.249 39.249 39.709 -0.460 19666
4906 1 16 . 1 1 47 47 PHE H H 47 8.362 8.362 7.909 0.453 19666
4907 1 16 . 1 1 48 48 PHE N N 48 117.363 117.363 116.981 0.382 19666
4908 1 16 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.842 -0.172 19666
4909 1 16 . 1 1 48 48 PHE C C 48 175.325 175.325 175.661 -0.336 19666
4910 1 16 . 1 1 48 48 PHE CA C 48 57.687 57.687 58.187 -0.500 19666
4911 1 16 . 1 1 48 48 PHE CB C 48 39.669 39.669 39.475 0.194 19666
4912 1 16 . 1 1 48 48 PHE H H 48 8.316 8.316 7.756 0.560 19666
4913 1 16 . 1 1 49 49 SER N N 49 114.726 114.726 117.631 -2.905 19666
4914 1 16 . 1 1 49 49 SER HA H 49 4.498 4.498 4.663 -0.165 19666
4915 1 16 . 1 1 49 49 SER C C 49 174.190 174.190 173.800 0.390 19666
4916 1 16 . 1 1 49 49 SER CA C 49 58.441 58.441 57.335 1.106 19666
4917 1 16 . 1 1 49 49 SER CB C 49 64.234 64.234 63.139 1.095 19666
4918 1 16 . 1 1 49 49 SER H H 49 7.831 7.831 7.308 0.523 19666
4919 1 16 . 1 1 50 50 SER N N 50 117.363 117.363 121.838 -4.475 19666
4920 1 16 . 1 1 50 50 SER HA H 50 4.682 4.682 4.315 0.367 19666
4921 1 16 . 1 1 50 50 SER C C 50 173.200 173.200 174.602 -1.402 19666
4922 1 16 . 1 1 50 50 SER CA C 50 58.394 58.394 58.480 -0.085 19666
4923 1 16 . 1 1 50 50 SER CB C 50 64.843 64.843 63.966 0.877 19666
4924 1 16 . 1 1 50 50 SER H H 50 8.396 8.396 8.448 -0.052 19666
4925 1 16 . 1 1 51 51 LYS N N 51 122.812 122.812 124.328 -1.516 19666
4926 1 16 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.638 -0.110 19666
4927 1 16 . 1 1 51 51 LYS C C 51 175.239 175.239 175.228 0.011 19666
4928 1 16 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.128 0.631 19666
4929 1 16 . 1 1 51 51 LYS CB C 51 34.450 34.450 34.380 0.070 19666
4930 1 16 . 1 1 51 51 LYS H H 51 8.453 8.453 8.114 0.339 19666
4931 1 16 . 1 1 52 52 CYS N N 52 124.922 124.922 120.504 4.418 19666
4932 1 16 . 1 1 52 52 CYS HA H 52 5.525 5.525 5.256 0.269 19666
4933 1 16 . 1 1 52 52 CYS C C 52 174.345 174.345 174.508 -0.163 19666
4934 1 16 . 1 1 52 52 CYS CA C 52 55.786 55.786 58.114 -2.328 19666
4935 1 16 . 1 1 52 52 CYS CB C 52 47.500 47.500 26.388 21.112 19666
4936 1 16 . 1 1 52 52 CYS H H 52 8.828 8.828 8.838 -0.010 19666
4937 1 16 . 1 1 53 53 VAL N N 53 117.187 117.187 118.855 -1.668 19666
4938 1 16 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.628 0.383 19666
4939 1 16 . 1 1 53 53 VAL C C 53 176.396 176.396 174.293 2.103 19666
4940 1 16 . 1 1 53 53 VAL CA C 53 59.190 59.190 59.950 -0.760 19666
4941 1 16 . 1 1 53 53 VAL CB C 53 37.293 37.293 35.318 1.975 19666
4942 1 16 . 1 1 53 53 VAL H H 53 8.625 8.625 9.048 -0.423 19666
4943 1 16 . 1 1 54 54 CYS N N 54 120.703 120.703 122.595 -1.892 19666
4944 1 16 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.581 0.431 19666
4945 1 16 . 1 1 54 54 CYS C C 54 175.637 175.637 174.936 0.701 19666
4946 1 16 . 1 1 54 54 CYS CA C 54 55.432 55.432 59.822 -4.390 19666
4947 1 16 . 1 1 54 54 CYS CB C 54 40.268 40.268 24.503 15.765 19666
4948 1 16 . 1 1 54 54 CYS H H 54 8.072 8.072 8.376 -0.304 19666
4949 1 16 . 1 1 55 55 ARG N N 55 124.922 124.922 125.892 -0.970 19666
4950 1 16 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.933 -0.080 19666
4951 1 16 . 1 1 55 55 ARG C C 55 174.029 174.029 175.154 -1.125 19666
4952 1 16 . 1 1 55 55 ARG CA C 55 53.194 53.194 53.437 -0.243 19666
4953 1 16 . 1 1 55 55 ARG CB C 55 35.049 35.049 33.460 1.589 19666
4954 1 16 . 1 1 55 55 ARG H H 55 9.378 9.378 8.716 0.662 19666
4955 1 16 . 1 1 56 56 ASP N N 56 117.011 117.011 122.249 -5.238 19666
4956 1 16 . 1 1 56 56 ASP HA H 56 5.244 5.244 4.883 0.361 19666
4957 1 16 . 1 1 56 56 ASP C C 56 175.192 175.192 175.746 -0.554 19666
4958 1 16 . 1 1 56 56 ASP CA C 56 53.525 53.525 53.921 -0.396 19666
4959 1 16 . 1 1 56 56 ASP CB C 56 39.655 39.655 40.643 -0.988 19666
4960 1 16 . 1 1 56 56 ASP H H 56 9.693 9.693 8.554 1.139 19666
4961 1 17 . 1 1 2 2 ALA N N 2 124.746 124.746 124.665 0.081 19666
4962 1 17 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.727 -0.500 19666
4963 1 17 . 1 1 2 2 ALA C C 2 176.106 176.106 176.206 -0.100 19666
4964 1 17 . 1 1 2 2 ALA CA C 2 52.504 52.504 51.140 1.364 19666
4965 1 17 . 1 1 2 2 ALA CB C 2 19.016 19.016 19.916 -0.900 19666
4966 1 17 . 1 1 2 2 ALA H H 2 8.421 8.421 8.209 0.212 19666
4967 1 17 . 1 1 3 3 LYS N N 3 120.527 120.527 118.272 2.255 19666
4968 1 17 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.569 -0.233 19666
4969 1 17 . 1 1 3 3 LYS C C 3 175.343 175.343 174.357 0.986 19666
4970 1 17 . 1 1 3 3 LYS CA C 3 54.848 54.848 54.953 -0.105 19666
4971 1 17 . 1 1 3 3 LYS CB C 3 34.392 34.392 34.607 -0.215 19666
4972 1 17 . 1 1 3 3 LYS H H 3 8.275 8.275 8.622 -0.347 19666
4973 1 17 . 1 1 4 4 ASP N N 4 120.351 120.351 120.917 -0.566 19666
4974 1 17 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.498 -0.121 19666
4975 1 17 . 1 1 4 4 ASP C C 4 177.084 177.084 177.331 -0.247 19666
4976 1 17 . 1 1 4 4 ASP CA C 4 55.908 55.908 55.603 0.305 19666
4977 1 17 . 1 1 4 4 ASP CB C 4 41.206 41.206 40.549 0.657 19666
4978 1 17 . 1 1 4 4 ASP H H 4 8.288 8.288 8.483 -0.195 19666
4979 1 17 . 1 1 5 5 GLY N N 5 113.320 113.320 115.563 -2.243 19666
4980 1 17 . 1 1 5 5 GLY C C 5 174.205 174.205 174.096 0.109 19666
4981 1 17 . 1 1 5 5 GLY CA C 5 45.496 45.496 44.938 0.558 19666
4982 1 17 . 1 1 5 5 GLY H H 5 8.823 8.823 8.775 0.048 19666
4983 1 17 . 1 1 6 6 ASP N N 6 121.054 121.054 121.768 -0.714 19666
4984 1 17 . 1 1 6 6 ASP HA H 6 4.641 4.641 5.084 -0.443 19666
4985 1 17 . 1 1 6 6 ASP C C 6 175.139 175.139 175.272 -0.133 19666
4986 1 17 . 1 1 6 6 ASP CA C 6 55.022 55.022 54.108 0.913 19666
4987 1 17 . 1 1 6 6 ASP CB C 6 41.095 41.095 42.308 -1.213 19666
4988 1 17 . 1 1 6 6 ASP H H 6 8.291 8.291 7.811 0.480 19666
4989 1 17 . 1 1 7 7 VAL N N 7 110.156 110.156 118.217 -8.061 19666
4990 1 17 . 1 1 7 7 VAL HA H 7 5.505 5.505 5.405 0.100 19666
4991 1 17 . 1 1 7 7 VAL C C 7 175.917 175.917 174.556 1.361 19666
4992 1 17 . 1 1 7 7 VAL CA C 7 59.486 59.486 58.991 0.495 19666
4993 1 17 . 1 1 7 7 VAL CB C 7 37.503 37.503 35.499 2.004 19666
4994 1 17 . 1 1 7 7 VAL H H 7 8.242 8.242 8.376 -0.134 19666
4995 1 17 . 1 1 8 8 GLU N N 8 119.824 119.824 120.547 -0.723 19666
4996 1 17 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.563 0.145 19666
4997 1 17 . 1 1 8 8 GLU C C 8 175.138 175.138 175.789 -0.651 19666
4998 1 17 . 1 1 8 8 GLU CA C 8 55.018 55.018 54.920 0.098 19666
4999 1 17 . 1 1 8 8 GLU CB C 8 32.660 32.660 32.588 0.072 19666
5000 1 17 . 1 1 8 8 GLU H H 8 8.428 8.428 8.763 -0.335 19666
5001 1 17 . 1 1 9 9 GLY N N 9 112.265 112.265 109.790 2.475 19666
5002 1 17 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.242 0.445 19666
5003 1 17 . 1 1 9 9 GLY H H 9 8.498 8.498 8.286 0.212 19666
5004 1 17 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.509 -0.056 19666
5005 1 17 . 1 1 10 10 PRO C C 10 175.902 175.902 176.822 -0.920 19666
5006 1 17 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.794 -0.538 19666
5007 1 17 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.186 0.126 19666
5008 1 17 . 1 1 11 11 ALA N N 11 123.340 123.340 125.016 -1.676 19666
5009 1 17 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.116 0.045 19666
5010 1 17 . 1 1 11 11 ALA C C 11 179.442 179.442 178.250 1.192 19666
5011 1 17 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.222 0.444 19666
5012 1 17 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.630 -0.728 19666
5013 1 17 . 1 1 11 11 ALA H H 11 8.424 8.424 8.440 -0.016 19666
5014 1 17 . 1 1 12 12 GLY N N 12 111.386 111.386 111.930 -0.544 19666
5015 1 17 . 1 1 12 12 GLY C C 12 174.908 174.908 174.968 -0.060 19666
5016 1 17 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.514 0.641 19666
5017 1 17 . 1 1 12 12 GLY H H 12 8.795 8.795 8.587 0.208 19666
5018 1 17 . 1 1 13 13 CYS N N 13 118.593 118.593 118.808 -0.215 19666
5019 1 17 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.549 0.026 19666
5020 1 17 . 1 1 13 13 CYS C C 13 173.390 173.390 174.092 -0.702 19666
5021 1 17 . 1 1 13 13 CYS CA C 13 55.412 55.412 57.982 -2.570 19666
5022 1 17 . 1 1 13 13 CYS CB C 13 40.858 40.858 28.256 12.602 19666
5023 1 17 . 1 1 13 13 CYS H H 13 8.051 8.051 7.708 0.343 19666
5024 1 17 . 1 1 14 14 LYS N N 14 120.527 120.527 121.084 -0.557 19666
5025 1 17 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.443 -0.030 19666
5026 1 17 . 1 1 14 14 LYS C C 14 174.523 174.523 175.404 -0.881 19666
5027 1 17 . 1 1 14 14 LYS CA C 14 56.695 56.695 55.658 1.037 19666
5028 1 17 . 1 1 14 14 LYS CB C 14 34.840 34.840 33.310 1.530 19666
5029 1 17 . 1 1 14 14 LYS H H 14 8.661 8.661 8.403 0.258 19666
5030 1 17 . 1 1 15 15 LYS N N 15 120.000 120.000 118.640 1.360 19666
5031 1 17 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.593 -0.548 19666
5032 1 17 . 1 1 15 15 LYS C C 15 174.446 174.446 174.983 -0.537 19666
5033 1 17 . 1 1 15 15 LYS CA C 15 55.806 55.806 54.654 1.152 19666
5034 1 17 . 1 1 15 15 LYS CB C 15 34.975 34.975 36.468 -1.493 19666
5035 1 17 . 1 1 15 15 LYS H H 15 7.335 7.335 8.286 -0.951 19666
5036 1 17 . 1 1 16 16 TYR N N 16 118.242 118.242 121.816 -3.574 19666
5037 1 17 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.226 -0.617 19666
5038 1 17 . 1 1 16 16 TYR C C 16 176.146 176.146 176.327 -0.181 19666
5039 1 17 . 1 1 16 16 TYR CA C 16 59.985 59.985 60.313 -0.328 19666
5040 1 17 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.749 0.432 19666
5041 1 17 . 1 1 16 16 TYR H H 16 9.183 9.183 8.238 0.945 19666
5042 1 17 . 1 1 17 17 ASP N N 17 123.164 123.164 123.225 -0.061 19666
5043 1 17 . 1 1 17 17 ASP HA H 17 4.089 4.089 3.985 0.104 19666
5044 1 17 . 1 1 17 17 ASP C C 17 174.793 174.793 174.098 0.695 19666
5045 1 17 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.512 -0.130 19666
5046 1 17 . 1 1 17 17 ASP CB C 17 39.934 39.934 38.912 1.022 19666
5047 1 17 . 1 1 17 17 ASP H H 17 9.185 9.185 8.296 0.889 19666
5048 1 17 . 1 1 18 18 VAL N N 18 121.230 121.230 115.891 5.339 19666
5049 1 17 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.190 -0.221 19666
5050 1 17 . 1 1 18 18 VAL C C 18 175.615 175.615 175.093 0.522 19666
5051 1 17 . 1 1 18 18 VAL CA C 18 62.527 62.527 60.843 1.684 19666
5052 1 17 . 1 1 18 18 VAL CB C 18 31.705 31.705 35.951 -4.246 19666
5053 1 17 . 1 1 18 18 VAL H H 18 7.873 7.873 7.632 0.241 19666
5054 1 17 . 1 1 19 19 GLU N N 19 126.328 126.328 124.036 2.292 19666
5055 1 17 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.456 0.395 19666
5056 1 17 . 1 1 19 19 GLU C C 19 175.883 175.883 176.226 -0.343 19666
5057 1 17 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.654 -0.227 19666
5058 1 17 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.743 -1.200 19666
5059 1 17 . 1 1 19 19 GLU H H 19 8.437 8.437 8.592 -0.155 19666
5060 1 17 . 1 1 20 20 CYS N N 20 117.715 117.715 119.499 -1.784 19666
5061 1 17 . 1 1 20 20 CYS HA H 20 4.920 4.920 5.004 -0.084 19666
5062 1 17 . 1 1 20 20 CYS C C 20 172.746 172.746 174.019 -1.273 19666
5063 1 17 . 1 1 20 20 CYS CA C 20 53.849 53.849 56.029 -2.180 19666
5064 1 17 . 1 1 20 20 CYS CB C 20 45.604 45.604 30.881 14.723 19666
5065 1 17 . 1 1 20 20 CYS H H 20 8.357 8.357 8.569 -0.212 19666
5066 1 17 . 1 1 21 21 ASP N N 21 119.297 119.297 121.752 -2.455 19666
5067 1 17 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.880 -0.100 19666
5068 1 17 . 1 1 21 21 ASP C C 21 175.903 175.903 177.075 -1.172 19666
5069 1 17 . 1 1 21 21 ASP CA C 21 53.839 53.839 54.006 -0.167 19666
5070 1 17 . 1 1 21 21 ASP H H 21 8.077 8.077 8.669 -0.592 19666
5071 1 17 . 1 1 22 22 SER N N 22 113.751 113.751 116.602 -2.851 19666
5072 1 17 . 1 1 22 22 SER HA H 22 4.066 4.066 4.135 -0.069 19666
5073 1 17 . 1 1 22 22 SER C C 22 175.610 175.610 174.786 0.824 19666
5074 1 17 . 1 1 22 22 SER CA C 22 59.986 59.986 58.585 1.401 19666
5075 1 17 . 1 1 22 22 SER CB C 22 63.377 63.377 63.045 0.332 19666
5076 1 17 . 1 1 22 22 SER H H 22 8.477 8.477 8.952 -0.475 19666
5077 1 17 . 1 1 23 23 GLY N N 23 112.441 112.441 106.392 6.049 19666
5078 1 17 . 1 1 23 23 GLY C C 23 175.341 175.341 174.545 0.796 19666
5079 1 17 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.902 -0.277 19666
5080 1 17 . 1 1 23 23 GLY H H 23 8.666 8.666 8.378 0.288 19666
5081 1 17 . 1 1 24 24 GLU N N 24 115.429 115.429 119.825 -4.396 19666
5082 1 17 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.596 -0.276 19666
5083 1 17 . 1 1 24 24 GLU CA C 24 56.875 56.875 55.660 1.215 19666
5084 1 17 . 1 1 24 24 GLU CB C 24 32.969 32.969 30.656 2.313 19666
5085 1 17 . 1 1 24 24 GLU H H 24 7.852 7.852 7.753 0.099 19666
5086 1 17 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.729 0.151 19666
5087 1 17 . 1 1 25 25 CYS C C 25 175.605 175.605 175.435 0.170 19666
5088 1 17 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.840 -2.423 19666
5089 1 17 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.586 11.421 19666
5090 1 17 . 1 1 26 26 CYS N N 26 122.988 122.988 122.530 0.458 19666
5091 1 17 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.340 0.229 19666
5092 1 17 . 1 1 26 26 CYS C C 26 172.335 172.335 176.460 -4.125 19666
5093 1 17 . 1 1 26 26 CYS CA C 26 55.441 55.441 60.080 -4.638 19666
5094 1 17 . 1 1 26 26 CYS CB C 26 38.977 38.977 28.758 10.219 19666
5095 1 17 . 1 1 26 26 CYS H H 26 9.987 9.987 8.890 1.097 19666
5096 1 17 . 1 1 27 27 GLN N N 27 119.472 119.472 120.060 -0.588 19666
5097 1 17 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.073 0.083 19666
5098 1 17 . 1 1 27 27 GLN C C 27 178.958 178.958 176.915 2.043 19666
5099 1 17 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.320 1.077 19666
5100 1 17 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.254 -0.120 19666
5101 1 17 . 1 1 27 27 GLN H H 27 8.129 8.129 8.274 -0.145 19666
5102 1 17 . 1 1 28 28 LYS N N 28 111.211 111.211 114.742 -3.531 19666
5103 1 17 . 1 1 28 28 LYS HA H 28 5.398 5.398 4.922 0.476 19666
5104 1 17 . 1 1 28 28 LYS C C 28 174.506 174.506 174.600 -0.094 19666
5105 1 17 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.614 -0.897 19666
5106 1 17 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.337 2.885 19666
5107 1 17 . 1 1 28 28 LYS H H 28 7.945 7.945 7.461 0.484 19666
5108 1 17 . 1 1 29 29 GLN N N 29 120.527 120.527 118.882 1.645 19666
5109 1 17 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.398 -0.125 19666
5110 1 17 . 1 1 29 29 GLN C C 29 173.392 173.392 174.029 -0.637 19666
5111 1 17 . 1 1 29 29 GLN CA C 29 54.499 54.499 54.693 -0.194 19666
5112 1 17 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.724 -0.730 19666
5113 1 17 . 1 1 29 29 GLN H H 29 9.096 9.096 9.228 -0.132 19666
5114 1 17 . 1 1 30 30 TYR N N 30 130.371 130.371 125.697 4.674 19666
5115 1 17 . 1 1 30 30 TYR HA H 30 3.824 3.824 4.585 -0.761 19666
5116 1 17 . 1 1 30 30 TYR C C 30 173.213 173.213 173.659 -0.446 19666
5117 1 17 . 1 1 30 30 TYR CA C 30 58.018 58.018 56.593 1.425 19666
5118 1 17 . 1 1 30 30 TYR CB C 30 35.574 35.574 37.593 -2.019 19666
5119 1 17 . 1 1 30 30 TYR H H 30 8.378 8.378 8.802 -0.424 19666
5120 1 17 . 1 1 31 31 LEU N N 31 132.129 132.129 124.271 7.858 19666
5121 1 17 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.431 -0.576 19666
5122 1 17 . 1 1 31 31 LEU C C 31 174.716 174.716 176.586 -1.870 19666
5123 1 17 . 1 1 31 31 LEU CA C 31 52.890 52.890 53.752 -0.862 19666
5124 1 17 . 1 1 31 31 LEU CB C 31 46.322 46.322 44.765 1.557 19666
5125 1 17 . 1 1 31 31 LEU H H 31 8.015 8.015 8.288 -0.273 19666
5126 1 17 . 1 1 32 32 TRP N N 32 126.855 126.855 121.616 5.239 19666
5127 1 17 . 1 1 32 32 TRP HA H 32 3.674 3.674 3.800 -0.126 19666
5128 1 17 . 1 1 32 32 TRP C C 32 176.444 176.444 175.414 1.030 19666
5129 1 17 . 1 1 32 32 TRP CA C 32 57.808 57.808 57.741 0.067 19666
5130 1 17 . 1 1 32 32 TRP CB C 32 24.551 24.551 26.970 -2.418 19666
5131 1 17 . 1 1 32 32 TRP H H 32 8.835 8.835 8.394 0.441 19666
5132 1 17 . 1 1 33 33 TYR N N 33 109.453 109.453 111.410 -1.957 19666
5133 1 17 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.364 0.077 19666
5134 1 17 . 1 1 33 33 TYR C C 33 173.802 173.802 175.295 -1.493 19666
5135 1 17 . 1 1 33 33 TYR CA C 33 59.804 59.804 58.471 1.333 19666
5136 1 17 . 1 1 33 33 TYR CB C 33 35.213 35.213 35.855 -0.642 19666
5137 1 17 . 1 1 33 33 TYR H H 33 8.021 8.021 7.726 0.295 19666
5138 1 17 . 1 1 34 34 LYS N N 34 116.660 116.660 116.815 -0.155 19666
5139 1 17 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.600 -0.185 19666
5140 1 17 . 1 1 34 34 LYS C C 34 174.545 174.545 174.036 0.509 19666
5141 1 17 . 1 1 34 34 LYS CA C 34 55.268 55.268 54.867 0.401 19666
5142 1 17 . 1 1 34 34 LYS CB C 34 37.142 37.142 36.879 0.263 19666
5143 1 17 . 1 1 34 34 LYS H H 34 6.799 6.799 7.145 -0.346 19666
5144 1 17 . 1 1 35 35 TRP N N 35 122.637 122.637 121.195 1.442 19666
5145 1 17 . 1 1 35 35 TRP HA H 35 4.565 4.565 5.350 -0.785 19666
5146 1 17 . 1 1 35 35 TRP C C 35 176.720 176.720 176.855 -0.135 19666
5147 1 17 . 1 1 35 35 TRP CA C 35 58.264 58.264 56.431 1.833 19666
5148 1 17 . 1 1 35 35 TRP CB C 35 29.346 29.346 30.069 -0.723 19666
5149 1 17 . 1 1 35 35 TRP H H 35 8.786 8.786 8.726 0.060 19666
5150 1 17 . 1 1 36 36 ARG N N 36 125.976 125.976 123.835 2.141 19666
5151 1 17 . 1 1 36 36 ARG HA H 36 5.133 5.133 5.032 0.101 19666
5152 1 17 . 1 1 36 36 ARG CA C 36 53.125 53.125 53.111 0.014 19666
5153 1 17 . 1 1 36 36 ARG CB C 36 31.094 31.094 31.494 -0.400 19666
5154 1 17 . 1 1 36 36 ARG H H 36 9.128 9.128 8.990 0.138 19666
5155 1 17 . 1 1 37 37 PRO HA H 37 5.364 5.364 4.807 0.557 19666
5156 1 17 . 1 1 37 37 PRO C C 37 175.961 175.961 176.042 -0.081 19666
5157 1 17 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.568 -0.548 19666
5158 1 17 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.726 -0.577 19666
5159 1 17 . 1 1 38 38 LEU N N 38 116.660 116.660 117.855 -1.195 19666
5160 1 17 . 1 1 38 38 LEU HA H 38 5.613 5.613 5.101 0.512 19666
5161 1 17 . 1 1 38 38 LEU C C 38 177.828 177.828 175.762 2.066 19666
5162 1 17 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.706 -1.218 19666
5163 1 17 . 1 1 38 38 LEU CB C 38 45.969 45.969 46.041 -0.072 19666
5164 1 17 . 1 1 38 38 LEU H H 38 7.047 7.047 8.410 -1.363 19666
5165 1 17 . 1 1 39 39 ASP N N 39 117.187 117.187 120.161 -2.974 19666
5166 1 17 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.899 -0.234 19666
5167 1 17 . 1 1 39 39 ASP C C 39 173.855 173.855 174.285 -0.430 19666
5168 1 17 . 1 1 39 39 ASP CA C 39 53.115 53.115 53.019 0.096 19666
5169 1 17 . 1 1 39 39 ASP CB C 39 44.870 44.870 45.009 -0.139 19666
5170 1 17 . 1 1 39 39 ASP H H 39 9.136 9.136 8.617 0.519 19666
5171 1 17 . 1 1 40 40 CYS N N 40 122.812 122.812 121.695 1.117 19666
5172 1 17 . 1 1 40 40 CYS HA H 40 4.645 4.645 5.173 -0.528 19666
5173 1 17 . 1 1 40 40 CYS C C 40 173.638 173.638 174.662 -1.024 19666
5174 1 17 . 1 1 40 40 CYS CA C 40 56.149 56.149 58.763 -2.614 19666
5175 1 17 . 1 1 40 40 CYS CB C 40 38.887 38.887 25.872 13.015 19666
5176 1 17 . 1 1 40 40 CYS H H 40 8.704 8.704 8.933 -0.229 19666
5177 1 17 . 1 1 41 41 ARG N N 41 131.953 131.953 125.649 6.304 19666
5178 1 17 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.714 -0.028 19666
5179 1 17 . 1 1 41 41 ARG C C 41 175.082 175.082 174.887 0.195 19666
5180 1 17 . 1 1 41 41 ARG CA C 41 54.050 54.050 53.988 0.062 19666
5181 1 17 . 1 1 41 41 ARG CB C 41 32.462 32.462 34.394 -1.932 19666
5182 1 17 . 1 1 41 41 ARG H H 41 8.742 8.742 8.888 -0.146 19666
5183 1 17 . 1 1 42 42 CYS N N 42 123.340 123.340 122.248 1.092 19666
5184 1 17 . 1 1 42 42 CYS HA H 42 5.216 5.216 5.089 0.127 19666
5185 1 17 . 1 1 42 42 CYS C C 42 174.439 174.439 174.930 -0.491 19666
5186 1 17 . 1 1 42 42 CYS CA C 42 55.531 55.531 58.667 -3.136 19666
5187 1 17 . 1 1 42 42 CYS CB C 42 44.384 44.384 26.121 18.263 19666
5188 1 17 . 1 1 42 42 CYS H H 42 8.945 8.945 8.700 0.245 19666
5189 1 17 . 1 1 43 43 LEU N N 43 125.976 125.976 127.547 -1.571 19666
5190 1 17 . 1 1 43 43 LEU HA H 43 4.544 4.544 4.551 -0.007 19666
5191 1 17 . 1 1 43 43 LEU C C 43 176.723 176.723 175.369 1.354 19666
5192 1 17 . 1 1 43 43 LEU CA C 43 54.458 54.458 54.904 -0.445 19666
5193 1 17 . 1 1 43 43 LEU CB C 43 43.516 43.516 43.554 -0.038 19666
5194 1 17 . 1 1 43 43 LEU H H 43 8.722 8.722 8.223 0.499 19666
5195 1 17 . 1 1 44 44 LYS N N 44 122.285 122.285 120.740 1.545 19666
5196 1 17 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.660 -0.139 19666
5197 1 17 . 1 1 44 44 LYS C C 44 176.254 176.254 174.940 1.314 19666
5198 1 17 . 1 1 44 44 LYS CA C 44 56.395 56.395 56.034 0.361 19666
5199 1 17 . 1 1 44 44 LYS CB C 44 33.171 33.171 34.574 -1.403 19666
5200 1 17 . 1 1 44 44 LYS H H 44 8.577 8.577 8.246 0.331 19666
5201 1 17 . 1 1 45 45 SER N N 45 117.715 117.715 120.130 -2.415 19666
5202 1 17 . 1 1 45 45 SER HA H 45 4.562 4.562 4.414 0.148 19666
5203 1 17 . 1 1 45 45 SER C C 45 174.264 174.264 173.930 0.334 19666
5204 1 17 . 1 1 45 45 SER CA C 45 57.318 57.318 57.310 0.008 19666
5205 1 17 . 1 1 45 45 SER CB C 45 64.221 64.221 62.707 1.514 19666
5206 1 17 . 1 1 45 45 SER H H 45 8.254 8.254 8.733 -0.479 19666
5207 1 17 . 1 1 46 46 GLY N N 46 111.386 111.386 109.832 1.554 19666
5208 1 17 . 1 1 46 46 GLY C C 46 174.068 174.068 174.171 -0.103 19666
5209 1 17 . 1 1 46 46 GLY CA C 46 45.310 45.310 45.863 -0.553 19666
5210 1 17 . 1 1 46 46 GLY H H 46 8.405 8.405 8.177 0.228 19666
5211 1 17 . 1 1 47 47 PHE N N 47 120.703 120.703 116.863 3.840 19666
5212 1 17 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.512 -0.148 19666
5213 1 17 . 1 1 47 47 PHE C C 47 176.313 176.313 175.898 0.415 19666
5214 1 17 . 1 1 47 47 PHE CA C 47 58.892 58.892 56.572 2.320 19666
5215 1 17 . 1 1 47 47 PHE CB C 47 39.249 39.249 40.144 -0.895 19666
5216 1 17 . 1 1 47 47 PHE H H 47 8.362 8.362 7.256 1.106 19666
5217 1 17 . 1 1 48 48 PHE N N 48 117.363 117.363 118.689 -1.326 19666
5218 1 17 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.715 -0.045 19666
5219 1 17 . 1 1 48 48 PHE C C 48 175.325 175.325 176.187 -0.862 19666
5220 1 17 . 1 1 48 48 PHE CA C 48 57.687 57.687 58.650 -0.963 19666
5221 1 17 . 1 1 48 48 PHE CB C 48 39.669 39.669 39.965 -0.296 19666
5222 1 17 . 1 1 48 48 PHE H H 48 8.316 8.316 8.601 -0.285 19666
5223 1 17 . 1 1 49 49 SER N N 49 114.726 114.726 117.253 -2.527 19666
5224 1 17 . 1 1 49 49 SER HA H 49 4.498 4.498 4.708 -0.210 19666
5225 1 17 . 1 1 49 49 SER C C 49 174.190 174.190 173.884 0.306 19666
5226 1 17 . 1 1 49 49 SER CA C 49 58.441 58.441 57.258 1.183 19666
5227 1 17 . 1 1 49 49 SER CB C 49 64.234 64.234 63.344 0.890 19666
5228 1 17 . 1 1 49 49 SER H H 49 7.831 7.831 8.039 -0.208 19666
5229 1 17 . 1 1 50 50 SER N N 50 117.363 117.363 122.908 -5.545 19666
5230 1 17 . 1 1 50 50 SER HA H 50 4.682 4.682 4.623 0.059 19666
5231 1 17 . 1 1 50 50 SER C C 50 173.200 173.200 174.524 -1.324 19666
5232 1 17 . 1 1 50 50 SER CA C 50 58.394 58.394 58.108 0.287 19666
5233 1 17 . 1 1 50 50 SER CB C 50 64.843 64.843 64.450 0.393 19666
5234 1 17 . 1 1 50 50 SER H H 50 8.396 8.396 8.525 -0.129 19666
5235 1 17 . 1 1 51 51 LYS N N 51 122.812 122.812 124.604 -1.792 19666
5236 1 17 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.686 -0.158 19666
5237 1 17 . 1 1 51 51 LYS C C 51 175.239 175.239 175.373 -0.134 19666
5238 1 17 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.477 0.282 19666
5239 1 17 . 1 1 51 51 LYS CB C 51 34.450 34.450 34.056 0.394 19666
5240 1 17 . 1 1 51 51 LYS H H 51 8.453 8.453 8.145 0.308 19666
5241 1 17 . 1 1 52 52 CYS N N 52 124.922 124.922 120.898 4.024 19666
5242 1 17 . 1 1 52 52 CYS HA H 52 5.525 5.525 5.320 0.205 19666
5243 1 17 . 1 1 52 52 CYS C C 52 174.345 174.345 174.598 -0.253 19666
5244 1 17 . 1 1 52 52 CYS CA C 52 55.786 55.786 57.965 -2.179 19666
5245 1 17 . 1 1 52 52 CYS CB C 52 47.500 47.500 26.519 20.981 19666
5246 1 17 . 1 1 52 52 CYS H H 52 8.828 8.828 8.948 -0.120 19666
5247 1 17 . 1 1 53 53 VAL N N 53 117.187 117.187 117.235 -0.048 19666
5248 1 17 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.887 0.124 19666
5249 1 17 . 1 1 53 53 VAL C C 53 176.396 176.396 174.407 1.989 19666
5250 1 17 . 1 1 53 53 VAL CA C 53 59.190 59.190 58.913 0.278 19666
5251 1 17 . 1 1 53 53 VAL CB C 53 37.293 37.293 35.058 2.235 19666
5252 1 17 . 1 1 53 53 VAL H H 53 8.625 8.625 8.571 0.054 19666
5253 1 17 . 1 1 54 54 CYS N N 54 120.703 120.703 120.511 0.192 19666
5254 1 17 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.931 0.081 19666
5255 1 17 . 1 1 54 54 CYS C C 54 175.637 175.637 174.753 0.884 19666
5256 1 17 . 1 1 54 54 CYS CA C 54 55.432 55.432 59.734 -4.302 19666
5257 1 17 . 1 1 54 54 CYS CB C 54 40.268 40.268 25.444 14.824 19666
5258 1 17 . 1 1 54 54 CYS H H 54 8.072 8.072 8.372 -0.300 19666
5259 1 17 . 1 1 55 55 ARG N N 55 124.922 124.922 124.403 0.519 19666
5260 1 17 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.941 -0.088 19666
5261 1 17 . 1 1 55 55 ARG C C 55 174.029 174.029 174.580 -0.551 19666
5262 1 17 . 1 1 55 55 ARG CA C 55 53.194 53.194 53.661 -0.467 19666
5263 1 17 . 1 1 55 55 ARG CB C 55 35.049 35.049 34.471 0.578 19666
5264 1 17 . 1 1 55 55 ARG H H 55 9.378 9.378 9.070 0.308 19666
5265 1 17 . 1 1 56 56 ASP N N 56 117.011 117.011 121.477 -4.466 19666
5266 1 17 . 1 1 56 56 ASP HA H 56 5.244 5.244 4.783 0.461 19666
5267 1 17 . 1 1 56 56 ASP C C 56 175.192 175.192 175.357 -0.165 19666
5268 1 17 . 1 1 56 56 ASP CA C 56 53.525 53.525 53.937 -0.412 19666
5269 1 17 . 1 1 56 56 ASP CB C 56 39.655 39.655 41.197 -1.542 19666
5270 1 17 . 1 1 56 56 ASP H H 56 9.693 9.693 8.688 1.005 19666
5271 1 18 . 1 1 2 2 ALA N N 2 124.746 124.746 126.621 -1.875 19666
5272 1 18 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.610 -0.383 19666
5273 1 18 . 1 1 2 2 ALA C C 2 176.106 176.106 176.864 -0.758 19666
5274 1 18 . 1 1 2 2 ALA CA C 2 52.504 52.504 51.105 1.399 19666
5275 1 18 . 1 1 2 2 ALA CB C 2 19.016 19.016 19.218 -0.202 19666
5276 1 18 . 1 1 2 2 ALA H H 2 8.421 8.421 8.196 0.225 19666
5277 1 18 . 1 1 3 3 LYS N N 3 120.527 120.527 121.591 -1.064 19666
5278 1 18 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.438 -0.102 19666
5279 1 18 . 1 1 3 3 LYS C C 3 175.343 175.343 175.284 0.059 19666
5280 1 18 . 1 1 3 3 LYS CA C 3 54.848 54.848 54.756 0.092 19666
5281 1 18 . 1 1 3 3 LYS CB C 3 34.392 34.392 33.943 0.449 19666
5282 1 18 . 1 1 3 3 LYS H H 3 8.275 8.275 8.267 0.008 19666
5283 1 18 . 1 1 4 4 ASP N N 4 120.351 120.351 119.299 1.052 19666
5284 1 18 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.450 -0.073 19666
5285 1 18 . 1 1 4 4 ASP C C 4 177.084 177.084 177.672 -0.588 19666
5286 1 18 . 1 1 4 4 ASP CA C 4 55.908 55.908 55.756 0.152 19666
5287 1 18 . 1 1 4 4 ASP CB C 4 41.206 41.206 40.649 0.557 19666
5288 1 18 . 1 1 4 4 ASP H H 4 8.288 8.288 8.409 -0.121 19666
5289 1 18 . 1 1 5 5 GLY N N 5 113.320 113.320 114.795 -1.475 19666
5290 1 18 . 1 1 5 5 GLY C C 5 174.205 174.205 173.918 0.287 19666
5291 1 18 . 1 1 5 5 GLY CA C 5 45.496 45.496 44.843 0.653 19666
5292 1 18 . 1 1 5 5 GLY H H 5 8.823 8.823 8.898 -0.075 19666
5293 1 18 . 1 1 6 6 ASP N N 6 121.054 121.054 123.023 -1.969 19666
5294 1 18 . 1 1 6 6 ASP HA H 6 4.641 4.641 5.195 -0.554 19666
5295 1 18 . 1 1 6 6 ASP C C 6 175.139 175.139 175.371 -0.232 19666
5296 1 18 . 1 1 6 6 ASP CA C 6 55.022 55.022 54.136 0.886 19666
5297 1 18 . 1 1 6 6 ASP CB C 6 41.095 41.095 41.896 -0.801 19666
5298 1 18 . 1 1 6 6 ASP H H 6 8.291 8.291 7.762 0.529 19666
5299 1 18 . 1 1 7 7 VAL N N 7 110.156 110.156 118.386 -8.230 19666
5300 1 18 . 1 1 7 7 VAL HA H 7 5.505 5.505 5.128 0.377 19666
5301 1 18 . 1 1 7 7 VAL C C 7 175.917 175.917 174.368 1.549 19666
5302 1 18 . 1 1 7 7 VAL CA C 7 59.486 59.486 59.053 0.433 19666
5303 1 18 . 1 1 7 7 VAL CB C 7 37.503 37.503 35.329 2.174 19666
5304 1 18 . 1 1 7 7 VAL H H 7 8.242 8.242 8.472 -0.230 19666
5305 1 18 . 1 1 8 8 GLU N N 8 119.824 119.824 120.726 -0.902 19666
5306 1 18 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.583 0.125 19666
5307 1 18 . 1 1 8 8 GLU C C 8 175.138 175.138 175.255 -0.117 19666
5308 1 18 . 1 1 8 8 GLU CA C 8 55.018 55.018 54.985 0.033 19666
5309 1 18 . 1 1 8 8 GLU CB C 8 32.660 32.660 32.793 -0.133 19666
5310 1 18 . 1 1 8 8 GLU H H 8 8.428 8.428 8.775 -0.347 19666
5311 1 18 . 1 1 9 9 GLY N N 9 112.265 112.265 110.938 1.327 19666
5312 1 18 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.298 0.389 19666
5313 1 18 . 1 1 9 9 GLY H H 9 8.498 8.498 8.349 0.149 19666
5314 1 18 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.513 -0.060 19666
5315 1 18 . 1 1 10 10 PRO C C 10 175.902 175.902 176.352 -0.450 19666
5316 1 18 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.503 -0.247 19666
5317 1 18 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.248 0.064 19666
5318 1 18 . 1 1 11 11 ALA N N 11 123.340 123.340 124.104 -0.764 19666
5319 1 18 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.153 0.008 19666
5320 1 18 . 1 1 11 11 ALA C C 11 179.442 179.442 178.295 1.147 19666
5321 1 18 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.180 0.486 19666
5322 1 18 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.440 -0.538 19666
5323 1 18 . 1 1 11 11 ALA H H 11 8.424 8.424 8.342 0.082 19666
5324 1 18 . 1 1 12 12 GLY N N 12 111.386 111.386 111.746 -0.360 19666
5325 1 18 . 1 1 12 12 GLY C C 12 174.908 174.908 174.775 0.133 19666
5326 1 18 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.508 0.647 19666
5327 1 18 . 1 1 12 12 GLY H H 12 8.795 8.795 8.613 0.182 19666
5328 1 18 . 1 1 13 13 CYS N N 13 118.593 118.593 117.389 1.204 19666
5329 1 18 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.678 -0.103 19666
5330 1 18 . 1 1 13 13 CYS C C 13 173.390 173.390 174.388 -0.998 19666
5331 1 18 . 1 1 13 13 CYS CA C 13 55.412 55.412 57.311 -1.899 19666
5332 1 18 . 1 1 13 13 CYS CB C 13 40.858 40.858 28.994 11.864 19666
5333 1 18 . 1 1 13 13 CYS H H 13 8.051 8.051 7.739 0.312 19666
5334 1 18 . 1 1 14 14 LYS N N 14 120.527 120.527 121.902 -1.375 19666
5335 1 18 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.490 -0.077 19666
5336 1 18 . 1 1 14 14 LYS C C 14 174.523 174.523 176.035 -1.512 19666
5337 1 18 . 1 1 14 14 LYS CA C 14 56.695 56.695 54.999 1.696 19666
5338 1 18 . 1 1 14 14 LYS CB C 14 34.840 34.840 31.994 2.845 19666
5339 1 18 . 1 1 14 14 LYS H H 14 8.661 8.661 8.451 0.210 19666
5340 1 18 . 1 1 15 15 LYS N N 15 120.000 120.000 123.248 -3.248 19666
5341 1 18 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.370 -0.325 19666
5342 1 18 . 1 1 15 15 LYS C C 15 174.446 174.446 176.210 -1.764 19666
5343 1 18 . 1 1 15 15 LYS CA C 15 55.806 55.806 55.474 0.333 19666
5344 1 18 . 1 1 15 15 LYS CB C 15 34.975 34.975 33.896 1.079 19666
5345 1 18 . 1 1 15 15 LYS H H 15 7.335 7.335 8.548 -1.213 19666
5346 1 18 . 1 1 16 16 TYR N N 16 118.242 118.242 121.447 -3.205 19666
5347 1 18 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.133 -0.524 19666
5348 1 18 . 1 1 16 16 TYR C C 16 176.146 176.146 176.006 0.140 19666
5349 1 18 . 1 1 16 16 TYR CA C 16 59.985 59.985 60.542 -0.557 19666
5350 1 18 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.643 0.539 19666
5351 1 18 . 1 1 16 16 TYR H H 16 9.183 9.183 8.192 0.991 19666
5352 1 18 . 1 1 17 17 ASP N N 17 123.164 123.164 122.220 0.944 19666
5353 1 18 . 1 1 17 17 ASP HA H 17 4.089 4.089 3.946 0.143 19666
5354 1 18 . 1 1 17 17 ASP C C 17 174.793 174.793 174.323 0.470 19666
5355 1 18 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.176 0.206 19666
5356 1 18 . 1 1 17 17 ASP CB C 17 39.934 39.934 39.032 0.901 19666
5357 1 18 . 1 1 17 17 ASP H H 17 9.185 9.185 8.045 1.140 19666
5358 1 18 . 1 1 18 18 VAL N N 18 121.230 121.230 115.750 5.480 19666
5359 1 18 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.196 -0.227 19666
5360 1 18 . 1 1 18 18 VAL C C 18 175.615 175.615 175.383 0.232 19666
5361 1 18 . 1 1 18 18 VAL CA C 18 62.527 62.527 60.700 1.827 19666
5362 1 18 . 1 1 18 18 VAL CB C 18 31.705 31.705 36.585 -4.880 19666
5363 1 18 . 1 1 18 18 VAL H H 18 7.873 7.873 7.620 0.253 19666
5364 1 18 . 1 1 19 19 GLU N N 19 126.328 126.328 123.968 2.360 19666
5365 1 18 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.229 0.622 19666
5366 1 18 . 1 1 19 19 GLU C C 19 175.883 175.883 175.790 0.093 19666
5367 1 18 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.699 -0.272 19666
5368 1 18 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.687 -1.144 19666
5369 1 18 . 1 1 19 19 GLU H H 19 8.437 8.437 8.547 -0.110 19666
5370 1 18 . 1 1 20 20 CYS N N 20 117.715 117.715 119.064 -1.349 19666
5371 1 18 . 1 1 20 20 CYS HA H 20 4.920 4.920 5.010 -0.090 19666
5372 1 18 . 1 1 20 20 CYS C C 20 172.746 172.746 173.888 -1.142 19666
5373 1 18 . 1 1 20 20 CYS CA C 20 53.849 53.849 55.477 -1.628 19666
5374 1 18 . 1 1 20 20 CYS CB C 20 45.604 45.604 30.898 14.706 19666
5375 1 18 . 1 1 20 20 CYS H H 20 8.357 8.357 8.578 -0.221 19666
5376 1 18 . 1 1 21 21 ASP N N 21 119.297 119.297 119.304 -0.007 19666
5377 1 18 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.762 0.018 19666
5378 1 18 . 1 1 21 21 ASP C C 21 175.903 175.903 176.924 -1.021 19666
5379 1 18 . 1 1 21 21 ASP CA C 21 53.839 53.839 53.111 0.728 19666
5380 1 18 . 1 1 21 21 ASP H H 21 8.077 8.077 8.651 -0.574 19666
5381 1 18 . 1 1 22 22 SER N N 22 113.751 113.751 116.139 -2.388 19666
5382 1 18 . 1 1 22 22 SER HA H 22 4.066 4.066 4.087 -0.021 19666
5383 1 18 . 1 1 22 22 SER C C 22 175.610 175.610 174.585 1.025 19666
5384 1 18 . 1 1 22 22 SER CA C 22 59.986 59.986 58.722 1.264 19666
5385 1 18 . 1 1 22 22 SER CB C 22 63.377 63.377 62.598 0.779 19666
5386 1 18 . 1 1 22 22 SER H H 22 8.477 8.477 8.930 -0.453 19666
5387 1 18 . 1 1 23 23 GLY N N 23 112.441 112.441 107.272 5.169 19666
5388 1 18 . 1 1 23 23 GLY C C 23 175.341 175.341 173.749 1.592 19666
5389 1 18 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.689 -0.064 19666
5390 1 18 . 1 1 23 23 GLY H H 23 8.666 8.666 8.498 0.168 19666
5391 1 18 . 1 1 24 24 GLU N N 24 115.429 115.429 119.316 -3.887 19666
5392 1 18 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.561 -0.241 19666
5393 1 18 . 1 1 24 24 GLU CA C 24 56.875 56.875 55.712 1.163 19666
5394 1 18 . 1 1 24 24 GLU CB C 24 32.969 32.969 31.516 1.453 19666
5395 1 18 . 1 1 24 24 GLU H H 24 7.852 7.852 7.706 0.146 19666
5396 1 18 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.739 0.141 19666
5397 1 18 . 1 1 25 25 CYS C C 25 175.605 175.605 175.072 0.533 19666
5398 1 18 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.524 -2.107 19666
5399 1 18 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.625 11.382 19666
5400 1 18 . 1 1 26 26 CYS N N 26 122.988 122.988 121.554 1.434 19666
5401 1 18 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.351 0.218 19666
5402 1 18 . 1 1 26 26 CYS C C 26 172.335 172.335 176.409 -4.074 19666
5403 1 18 . 1 1 26 26 CYS CA C 26 55.441 55.441 60.228 -4.787 19666
5404 1 18 . 1 1 26 26 CYS CB C 26 38.977 38.977 28.700 10.277 19666
5405 1 18 . 1 1 26 26 CYS H H 26 9.987 9.987 8.594 1.393 19666
5406 1 18 . 1 1 27 27 GLN N N 27 119.472 119.472 119.727 -0.255 19666
5407 1 18 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.158 -0.002 19666
5408 1 18 . 1 1 27 27 GLN C C 27 178.958 178.958 176.973 1.985 19666
5409 1 18 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.133 1.264 19666
5410 1 18 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.413 -0.279 19666
5411 1 18 . 1 1 27 27 GLN H H 27 8.129 8.129 8.265 -0.136 19666
5412 1 18 . 1 1 28 28 LYS N N 28 111.211 111.211 115.233 -4.022 19666
5413 1 18 . 1 1 28 28 LYS HA H 28 5.398 5.398 4.941 0.457 19666
5414 1 18 . 1 1 28 28 LYS C C 28 174.506 174.506 174.928 -0.422 19666
5415 1 18 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.505 -0.788 19666
5416 1 18 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.249 2.973 19666
5417 1 18 . 1 1 28 28 LYS H H 28 7.945 7.945 7.477 0.468 19666
5418 1 18 . 1 1 29 29 GLN N N 29 120.527 120.527 119.095 1.432 19666
5419 1 18 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.267 0.006 19666
5420 1 18 . 1 1 29 29 GLN C C 29 173.392 173.392 173.886 -0.494 19666
5421 1 18 . 1 1 29 29 GLN CA C 29 54.499 54.499 55.308 -0.809 19666
5422 1 18 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.586 -0.593 19666
5423 1 18 . 1 1 29 29 GLN H H 29 9.096 9.096 9.079 0.017 19666
5424 1 18 . 1 1 30 30 TYR N N 30 130.371 130.371 126.521 3.850 19666
5425 1 18 . 1 1 30 30 TYR HA H 30 3.824 3.824 4.245 -0.421 19666
5426 1 18 . 1 1 30 30 TYR C C 30 173.213 173.213 173.537 -0.324 19666
5427 1 18 . 1 1 30 30 TYR CA C 30 58.018 58.018 57.536 0.482 19666
5428 1 18 . 1 1 30 30 TYR CB C 30 35.574 35.574 37.885 -2.311 19666
5429 1 18 . 1 1 30 30 TYR H H 30 8.378 8.378 8.748 -0.370 19666
5430 1 18 . 1 1 31 31 LEU N N 31 132.129 132.129 125.542 6.587 19666
5431 1 18 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.448 -0.593 19666
5432 1 18 . 1 1 31 31 LEU C C 31 174.716 174.716 176.240 -1.524 19666
5433 1 18 . 1 1 31 31 LEU CA C 31 52.890 52.890 53.853 -0.963 19666
5434 1 18 . 1 1 31 31 LEU CB C 31 46.322 46.322 45.369 0.953 19666
5435 1 18 . 1 1 31 31 LEU H H 31 8.015 8.015 8.483 -0.468 19666
5436 1 18 . 1 1 32 32 TRP N N 32 126.855 126.855 122.103 4.752 19666
5437 1 18 . 1 1 32 32 TRP HA H 32 3.674 3.674 3.803 -0.129 19666
5438 1 18 . 1 1 32 32 TRP C C 32 176.444 176.444 175.228 1.216 19666
5439 1 18 . 1 1 32 32 TRP CA C 32 57.808 57.808 57.915 -0.107 19666
5440 1 18 . 1 1 32 32 TRP CB C 32 24.551 24.551 26.907 -2.356 19666
5441 1 18 . 1 1 32 32 TRP H H 32 8.835 8.835 8.543 0.292 19666
5442 1 18 . 1 1 33 33 TYR N N 33 109.453 109.453 111.475 -2.022 19666
5443 1 18 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.446 -0.005 19666
5444 1 18 . 1 1 33 33 TYR C C 33 173.802 173.802 175.046 -1.244 19666
5445 1 18 . 1 1 33 33 TYR CA C 33 59.804 59.804 57.911 1.893 19666
5446 1 18 . 1 1 33 33 TYR CB C 33 35.213 35.213 35.630 -0.417 19666
5447 1 18 . 1 1 33 33 TYR H H 33 8.021 8.021 7.514 0.507 19666
5448 1 18 . 1 1 34 34 LYS N N 34 116.660 116.660 118.099 -1.439 19666
5449 1 18 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.585 -0.170 19666
5450 1 18 . 1 1 34 34 LYS C C 34 174.545 174.545 173.915 0.630 19666
5451 1 18 . 1 1 34 34 LYS CA C 34 55.268 55.268 55.004 0.265 19666
5452 1 18 . 1 1 34 34 LYS CB C 34 37.142 37.142 35.658 1.484 19666
5453 1 18 . 1 1 34 34 LYS H H 34 6.799 6.799 6.976 -0.177 19666
5454 1 18 . 1 1 35 35 TRP N N 35 122.637 122.637 124.147 -1.510 19666
5455 1 18 . 1 1 35 35 TRP HA H 35 4.565 4.565 5.255 -0.691 19666
5456 1 18 . 1 1 35 35 TRP C C 35 176.720 176.720 176.838 -0.118 19666
5457 1 18 . 1 1 35 35 TRP CA C 35 58.264 58.264 57.221 1.043 19666
5458 1 18 . 1 1 35 35 TRP CB C 35 29.346 29.346 29.598 -0.252 19666
5459 1 18 . 1 1 35 35 TRP H H 35 8.786 8.786 8.751 0.035 19666
5460 1 18 . 1 1 36 36 ARG N N 36 125.976 125.976 124.840 1.136 19666
5461 1 18 . 1 1 36 36 ARG HA H 36 5.133 5.133 4.980 0.153 19666
5462 1 18 . 1 1 36 36 ARG CA C 36 53.125 53.125 53.149 -0.024 19666
5463 1 18 . 1 1 36 36 ARG CB C 36 31.094 31.094 31.442 -0.348 19666
5464 1 18 . 1 1 36 36 ARG H H 36 9.128 9.128 8.970 0.158 19666
5465 1 18 . 1 1 37 37 PRO HA H 37 5.364 5.364 4.748 0.616 19666
5466 1 18 . 1 1 37 37 PRO C C 37 175.961 175.961 176.226 -0.265 19666
5467 1 18 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.481 -0.461 19666
5468 1 18 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.669 -0.520 19666
5469 1 18 . 1 1 38 38 LEU N N 38 116.660 116.660 118.222 -1.562 19666
5470 1 18 . 1 1 38 38 LEU HA H 38 5.613 5.613 5.267 0.346 19666
5471 1 18 . 1 1 38 38 LEU C C 38 177.828 177.828 175.803 2.025 19666
5472 1 18 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.602 -1.115 19666
5473 1 18 . 1 1 38 38 LEU CB C 38 45.969 45.969 46.139 -0.170 19666
5474 1 18 . 1 1 38 38 LEU H H 38 7.047 7.047 8.427 -1.380 19666
5475 1 18 . 1 1 39 39 ASP N N 39 117.187 117.187 120.220 -3.033 19666
5476 1 18 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.898 -0.233 19666
5477 1 18 . 1 1 39 39 ASP C C 39 173.855 173.855 175.649 -1.794 19666
5478 1 18 . 1 1 39 39 ASP CA C 39 53.115 53.115 52.935 0.180 19666
5479 1 18 . 1 1 39 39 ASP CB C 39 44.870 44.870 44.081 0.789 19666
5480 1 18 . 1 1 39 39 ASP H H 39 9.136 9.136 8.489 0.647 19666
5481 1 18 . 1 1 40 40 CYS N N 40 122.812 122.812 124.343 -1.531 19666
5482 1 18 . 1 1 40 40 CYS HA H 40 4.645 4.645 4.565 0.080 19666
5483 1 18 . 1 1 40 40 CYS C C 40 173.638 173.638 174.884 -1.246 19666
5484 1 18 . 1 1 40 40 CYS CA C 40 56.149 56.149 59.715 -3.566 19666
5485 1 18 . 1 1 40 40 CYS CB C 40 38.887 38.887 25.274 13.613 19666
5486 1 18 . 1 1 40 40 CYS H H 40 8.704 8.704 8.951 -0.247 19666
5487 1 18 . 1 1 41 41 ARG N N 41 131.953 131.953 126.357 5.596 19666
5488 1 18 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.689 -0.003 19666
5489 1 18 . 1 1 41 41 ARG C C 41 175.082 175.082 174.704 0.378 19666
5490 1 18 . 1 1 41 41 ARG CA C 41 54.050 54.050 53.953 0.097 19666
5491 1 18 . 1 1 41 41 ARG CB C 41 32.462 32.462 34.115 -1.653 19666
5492 1 18 . 1 1 41 41 ARG H H 41 8.742 8.742 9.236 -0.494 19666
5493 1 18 . 1 1 42 42 CYS N N 42 123.340 123.340 121.960 1.380 19666
5494 1 18 . 1 1 42 42 CYS HA H 42 5.216 5.216 5.022 0.194 19666
5495 1 18 . 1 1 42 42 CYS C C 42 174.439 174.439 175.042 -0.603 19666
5496 1 18 . 1 1 42 42 CYS CA C 42 55.531 55.531 58.411 -2.880 19666
5497 1 18 . 1 1 42 42 CYS CB C 42 44.384 44.384 25.801 18.583 19666
5498 1 18 . 1 1 42 42 CYS H H 42 8.945 8.945 8.753 0.192 19666
5499 1 18 . 1 1 43 43 LEU N N 43 125.976 125.976 125.121 0.855 19666
5500 1 18 . 1 1 43 43 LEU HA H 43 4.544 4.544 4.925 -0.381 19666
5501 1 18 . 1 1 43 43 LEU C C 43 176.723 176.723 174.550 2.173 19666
5502 1 18 . 1 1 43 43 LEU CA C 43 54.458 54.458 54.352 0.106 19666
5503 1 18 . 1 1 43 43 LEU CB C 43 43.516 43.516 45.123 -1.607 19666
5504 1 18 . 1 1 43 43 LEU H H 43 8.722 8.722 8.262 0.460 19666
5505 1 18 . 1 1 44 44 LYS N N 44 122.285 122.285 119.807 2.478 19666
5506 1 18 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.738 -0.217 19666
5507 1 18 . 1 1 44 44 LYS C C 44 176.254 176.254 175.349 0.905 19666
5508 1 18 . 1 1 44 44 LYS CA C 44 56.395 56.395 55.613 0.782 19666
5509 1 18 . 1 1 44 44 LYS CB C 44 33.171 33.171 34.354 -1.183 19666
5510 1 18 . 1 1 44 44 LYS H H 44 8.577 8.577 8.215 0.362 19666
5511 1 18 . 1 1 45 45 SER N N 45 117.715 117.715 120.135 -2.420 19666
5512 1 18 . 1 1 45 45 SER HA H 45 4.562 4.562 4.582 -0.020 19666
5513 1 18 . 1 1 45 45 SER C C 45 174.264 174.264 175.021 -0.757 19666
5514 1 18 . 1 1 45 45 SER CA C 45 57.318 57.318 58.153 -0.835 19666
5515 1 18 . 1 1 45 45 SER CB C 45 64.221 64.221 62.209 2.012 19666
5516 1 18 . 1 1 45 45 SER H H 45 8.254 8.254 8.648 -0.394 19666
5517 1 18 . 1 1 46 46 GLY N N 46 111.386 111.386 113.829 -2.443 19666
5518 1 18 . 1 1 46 46 GLY C C 46 174.068 174.068 173.822 0.246 19666
5519 1 18 . 1 1 46 46 GLY CA C 46 45.310 45.310 45.080 0.230 19666
5520 1 18 . 1 1 46 46 GLY H H 46 8.405 8.405 8.616 -0.211 19666
5521 1 18 . 1 1 47 47 PHE N N 47 120.703 120.703 121.007 -0.304 19666
5522 1 18 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.264 0.100 19666
5523 1 18 . 1 1 47 47 PHE C C 47 176.313 176.313 174.875 1.438 19666
5524 1 18 . 1 1 47 47 PHE CA C 47 58.892 58.892 56.864 2.029 19666
5525 1 18 . 1 1 47 47 PHE CB C 47 39.249 39.249 39.882 -0.633 19666
5526 1 18 . 1 1 47 47 PHE H H 47 8.362 8.362 7.588 0.774 19666
5527 1 18 . 1 1 48 48 PHE N N 48 117.363 117.363 120.448 -3.085 19666
5528 1 18 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.363 0.307 19666
5529 1 18 . 1 1 48 48 PHE C C 48 175.325 175.325 176.299 -0.974 19666
5530 1 18 . 1 1 48 48 PHE CA C 48 57.687 57.687 58.956 -1.269 19666
5531 1 18 . 1 1 48 48 PHE CB C 48 39.669 39.669 39.270 0.398 19666
5532 1 18 . 1 1 48 48 PHE H H 48 8.316 8.316 7.314 1.002 19666
5533 1 18 . 1 1 49 49 SER N N 49 114.726 114.726 116.749 -2.023 19666
5534 1 18 . 1 1 49 49 SER HA H 49 4.498 4.498 4.597 -0.099 19666
5535 1 18 . 1 1 49 49 SER C C 49 174.190 174.190 174.169 0.021 19666
5536 1 18 . 1 1 49 49 SER CA C 49 58.441 58.441 58.001 0.440 19666
5537 1 18 . 1 1 49 49 SER CB C 49 64.234 64.234 62.911 1.323 19666
5538 1 18 . 1 1 49 49 SER H H 49 7.831 7.831 8.083 -0.252 19666
5539 1 18 . 1 1 50 50 SER N N 50 117.363 117.363 122.833 -5.470 19666
5540 1 18 . 1 1 50 50 SER HA H 50 4.682 4.682 4.533 0.149 19666
5541 1 18 . 1 1 50 50 SER C C 50 173.200 173.200 174.586 -1.386 19666
5542 1 18 . 1 1 50 50 SER CA C 50 58.394 58.394 58.756 -0.362 19666
5543 1 18 . 1 1 50 50 SER CB C 50 64.843 64.843 63.980 0.863 19666
5544 1 18 . 1 1 50 50 SER H H 50 8.396 8.396 8.210 0.186 19666
5545 1 18 . 1 1 51 51 LYS N N 51 122.812 122.812 125.061 -2.249 19666
5546 1 18 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.718 -0.190 19666
5547 1 18 . 1 1 51 51 LYS C C 51 175.239 175.239 175.093 0.146 19666
5548 1 18 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.070 0.689 19666
5549 1 18 . 1 1 51 51 LYS CB C 51 34.450 34.450 34.744 -0.294 19666
5550 1 18 . 1 1 51 51 LYS H H 51 8.453 8.453 8.200 0.253 19666
5551 1 18 . 1 1 52 52 CYS N N 52 124.922 124.922 120.731 4.191 19666
5552 1 18 . 1 1 52 52 CYS HA H 52 5.525 5.525 5.137 0.388 19666
5553 1 18 . 1 1 52 52 CYS C C 52 174.345 174.345 174.775 -0.430 19666
5554 1 18 . 1 1 52 52 CYS CA C 52 55.786 55.786 58.143 -2.357 19666
5555 1 18 . 1 1 52 52 CYS CB C 52 47.500 47.500 26.051 21.449 19666
5556 1 18 . 1 1 52 52 CYS H H 52 8.828 8.828 8.918 -0.090 19666
5557 1 18 . 1 1 53 53 VAL N N 53 117.187 117.187 117.691 -0.504 19666
5558 1 18 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.835 0.176 19666
5559 1 18 . 1 1 53 53 VAL C C 53 176.396 176.396 174.463 1.933 19666
5560 1 18 . 1 1 53 53 VAL CA C 53 59.190 59.190 58.854 0.336 19666
5561 1 18 . 1 1 53 53 VAL CB C 53 37.293 37.293 34.971 2.322 19666
5562 1 18 . 1 1 53 53 VAL H H 53 8.625 8.625 8.591 0.034 19666
5563 1 18 . 1 1 54 54 CYS N N 54 120.703 120.703 120.075 0.628 19666
5564 1 18 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.609 0.403 19666
5565 1 18 . 1 1 54 54 CYS C C 54 175.637 175.637 174.761 0.876 19666
5566 1 18 . 1 1 54 54 CYS CA C 54 55.432 55.432 60.333 -4.901 19666
5567 1 18 . 1 1 54 54 CYS CB C 54 40.268 40.268 25.978 14.290 19666
5568 1 18 . 1 1 54 54 CYS H H 54 8.072 8.072 8.316 -0.244 19666
5569 1 18 . 1 1 55 55 ARG N N 55 124.922 124.922 121.579 3.343 19666
5570 1 18 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.780 0.073 19666
5571 1 18 . 1 1 55 55 ARG C C 55 174.029 174.029 174.339 -0.310 19666
5572 1 18 . 1 1 55 55 ARG CA C 55 53.194 53.194 53.887 -0.693 19666
5573 1 18 . 1 1 55 55 ARG CB C 55 35.049 35.049 34.769 0.280 19666
5574 1 18 . 1 1 55 55 ARG H H 55 9.378 9.378 8.165 1.213 19666
5575 1 18 . 1 1 56 56 ASP N N 56 117.011 117.011 119.855 -2.844 19666
5576 1 18 . 1 1 56 56 ASP HA H 56 5.244 5.244 5.005 0.238 19666
5577 1 18 . 1 1 56 56 ASP C C 56 175.192 175.192 176.087 -0.895 19666
5578 1 18 . 1 1 56 56 ASP CA C 56 53.525 53.525 53.854 -0.329 19666
5579 1 18 . 1 1 56 56 ASP CB C 56 39.655 39.655 41.295 -1.640 19666
5580 1 18 . 1 1 56 56 ASP H H 56 9.693 9.693 8.769 0.924 19666
5581 1 19 . 1 1 2 2 ALA N N 2 124.746 124.746 128.045 -3.299 19666
5582 1 19 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.324 -0.097 19666
5583 1 19 . 1 1 2 2 ALA C C 2 176.106 176.106 176.951 -0.845 19666
5584 1 19 . 1 1 2 2 ALA CA C 2 52.504 52.504 51.486 1.018 19666
5585 1 19 . 1 1 2 2 ALA CB C 2 19.016 19.016 19.540 -0.524 19666
5586 1 19 . 1 1 2 2 ALA H H 2 8.421 8.421 8.167 0.254 19666
5587 1 19 . 1 1 3 3 LYS N N 3 120.527 120.527 120.933 -0.406 19666
5588 1 19 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.408 -0.072 19666
5589 1 19 . 1 1 3 3 LYS C C 3 175.343 175.343 175.382 -0.039 19666
5590 1 19 . 1 1 3 3 LYS CA C 3 54.848 54.848 54.729 0.119 19666
5591 1 19 . 1 1 3 3 LYS CB C 3 34.392 34.392 33.542 0.850 19666
5592 1 19 . 1 1 3 3 LYS H H 3 8.275 8.275 8.462 -0.187 19666
5593 1 19 . 1 1 4 4 ASP N N 4 120.351 120.351 119.553 0.798 19666
5594 1 19 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.396 -0.019 19666
5595 1 19 . 1 1 4 4 ASP C C 4 177.084 177.084 177.806 -0.722 19666
5596 1 19 . 1 1 4 4 ASP CA C 4 55.908 55.908 55.638 0.271 19666
5597 1 19 . 1 1 4 4 ASP CB C 4 41.206 41.206 40.647 0.559 19666
5598 1 19 . 1 1 4 4 ASP H H 4 8.288 8.288 8.360 -0.072 19666
5599 1 19 . 1 1 5 5 GLY N N 5 113.320 113.320 114.308 -0.988 19666
5600 1 19 . 1 1 5 5 GLY C C 5 174.205 174.205 173.868 0.337 19666
5601 1 19 . 1 1 5 5 GLY CA C 5 45.496 45.496 44.793 0.703 19666
5602 1 19 . 1 1 5 5 GLY H H 5 8.823 8.823 8.918 -0.095 19666
5603 1 19 . 1 1 6 6 ASP N N 6 121.054 121.054 122.853 -1.799 19666
5604 1 19 . 1 1 6 6 ASP HA H 6 4.641 4.641 5.204 -0.563 19666
5605 1 19 . 1 1 6 6 ASP C C 6 175.139 175.139 175.301 -0.162 19666
5606 1 19 . 1 1 6 6 ASP CA C 6 55.022 55.022 53.578 1.444 19666
5607 1 19 . 1 1 6 6 ASP CB C 6 41.095 41.095 42.116 -1.021 19666
5608 1 19 . 1 1 6 6 ASP H H 6 8.291 8.291 7.740 0.551 19666
5609 1 19 . 1 1 7 7 VAL N N 7 110.156 110.156 118.753 -8.597 19666
5610 1 19 . 1 1 7 7 VAL HA H 7 5.505 5.505 4.977 0.528 19666
5611 1 19 . 1 1 7 7 VAL C C 7 175.917 175.917 174.960 0.957 19666
5612 1 19 . 1 1 7 7 VAL CA C 7 59.486 59.486 59.307 0.179 19666
5613 1 19 . 1 1 7 7 VAL CB C 7 37.503 37.503 34.495 3.009 19666
5614 1 19 . 1 1 7 7 VAL H H 7 8.242 8.242 8.502 -0.260 19666
5615 1 19 . 1 1 8 8 GLU N N 8 119.824 119.824 121.000 -1.176 19666
5616 1 19 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.620 0.088 19666
5617 1 19 . 1 1 8 8 GLU C C 8 175.138 175.138 175.689 -0.551 19666
5618 1 19 . 1 1 8 8 GLU CA C 8 55.018 55.018 55.395 -0.377 19666
5619 1 19 . 1 1 8 8 GLU CB C 8 32.660 32.660 32.585 0.075 19666
5620 1 19 . 1 1 8 8 GLU H H 8 8.428 8.428 8.970 -0.542 19666
5621 1 19 . 1 1 9 9 GLY N N 9 112.265 112.265 111.569 0.696 19666
5622 1 19 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.353 0.334 19666
5623 1 19 . 1 1 9 9 GLY H H 9 8.498 8.498 8.343 0.155 19666
5624 1 19 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.517 -0.064 19666
5625 1 19 . 1 1 10 10 PRO C C 10 175.902 175.902 176.377 -0.475 19666
5626 1 19 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.512 -0.256 19666
5627 1 19 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.252 0.060 19666
5628 1 19 . 1 1 11 11 ALA N N 11 123.340 123.340 124.148 -0.808 19666
5629 1 19 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.158 0.003 19666
5630 1 19 . 1 1 11 11 ALA C C 11 179.442 179.442 178.285 1.157 19666
5631 1 19 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.151 0.515 19666
5632 1 19 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.464 -0.562 19666
5633 1 19 . 1 1 11 11 ALA H H 11 8.424 8.424 8.347 0.077 19666
5634 1 19 . 1 1 12 12 GLY N N 12 111.386 111.386 111.618 -0.232 19666
5635 1 19 . 1 1 12 12 GLY C C 12 174.908 174.908 174.632 0.276 19666
5636 1 19 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.498 0.657 19666
5637 1 19 . 1 1 12 12 GLY H H 12 8.795 8.795 8.563 0.232 19666
5638 1 19 . 1 1 13 13 CYS N N 13 118.593 118.593 117.236 1.357 19666
5639 1 19 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.716 -0.141 19666
5640 1 19 . 1 1 13 13 CYS C C 13 173.390 173.390 174.479 -1.089 19666
5641 1 19 . 1 1 13 13 CYS CA C 13 55.412 55.412 57.267 -1.855 19666
5642 1 19 . 1 1 13 13 CYS CB C 13 40.858 40.858 28.887 11.971 19666
5643 1 19 . 1 1 13 13 CYS H H 13 8.051 8.051 7.693 0.358 19666
5644 1 19 . 1 1 14 14 LYS N N 14 120.527 120.527 122.277 -1.750 19666
5645 1 19 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.456 -0.043 19666
5646 1 19 . 1 1 14 14 LYS C C 14 174.523 174.523 176.220 -1.697 19666
5647 1 19 . 1 1 14 14 LYS CA C 14 56.695 56.695 55.286 1.409 19666
5648 1 19 . 1 1 14 14 LYS CB C 14 34.840 34.840 32.068 2.772 19666
5649 1 19 . 1 1 14 14 LYS H H 14 8.661 8.661 8.474 0.187 19666
5650 1 19 . 1 1 15 15 LYS N N 15 120.000 120.000 124.278 -4.278 19666
5651 1 19 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.359 -0.314 19666
5652 1 19 . 1 1 15 15 LYS C C 15 174.446 174.446 175.970 -1.524 19666
5653 1 19 . 1 1 15 15 LYS CA C 15 55.806 55.806 55.759 0.047 19666
5654 1 19 . 1 1 15 15 LYS CB C 15 34.975 34.975 33.916 1.060 19666
5655 1 19 . 1 1 15 15 LYS H H 15 7.335 7.335 8.550 -1.215 19666
5656 1 19 . 1 1 16 16 TYR N N 16 118.242 118.242 120.809 -2.567 19666
5657 1 19 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.182 -0.573 19666
5658 1 19 . 1 1 16 16 TYR C C 16 176.146 176.146 176.613 -0.467 19666
5659 1 19 . 1 1 16 16 TYR CA C 16 59.985 59.985 60.277 -0.292 19666
5660 1 19 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.870 0.312 19666
5661 1 19 . 1 1 16 16 TYR H H 16 9.183 9.183 7.936 1.247 19666
5662 1 19 . 1 1 17 17 ASP N N 17 123.164 123.164 121.376 1.788 19666
5663 1 19 . 1 1 17 17 ASP HA H 17 4.089 4.089 3.851 0.238 19666
5664 1 19 . 1 1 17 17 ASP C C 17 174.793 174.793 174.098 0.695 19666
5665 1 19 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.379 0.003 19666
5666 1 19 . 1 1 17 17 ASP CB C 17 39.934 39.934 39.853 0.081 19666
5667 1 19 . 1 1 17 17 ASP H H 17 9.185 9.185 7.806 1.379 19666
5668 1 19 . 1 1 18 18 VAL N N 18 121.230 121.230 116.204 5.026 19666
5669 1 19 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.193 -0.224 19666
5670 1 19 . 1 1 18 18 VAL C C 18 175.615 175.615 174.720 0.895 19666
5671 1 19 . 1 1 18 18 VAL CA C 18 62.527 62.527 60.631 1.896 19666
5672 1 19 . 1 1 18 18 VAL CB C 18 31.705 31.705 36.072 -4.367 19666
5673 1 19 . 1 1 18 18 VAL H H 18 7.873 7.873 7.380 0.493 19666
5674 1 19 . 1 1 19 19 GLU N N 19 126.328 126.328 124.958 1.370 19666
5675 1 19 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.321 0.530 19666
5676 1 19 . 1 1 19 19 GLU C C 19 175.883 175.883 175.482 0.401 19666
5677 1 19 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.701 -0.274 19666
5678 1 19 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.755 -1.212 19666
5679 1 19 . 1 1 19 19 GLU H H 19 8.437 8.437 8.574 -0.137 19666
5680 1 19 . 1 1 20 20 CYS N N 20 117.715 117.715 119.156 -1.441 19666
5681 1 19 . 1 1 20 20 CYS HA H 20 4.920 4.920 5.004 -0.084 19666
5682 1 19 . 1 1 20 20 CYS C C 20 172.746 172.746 173.953 -1.207 19666
5683 1 19 . 1 1 20 20 CYS CA C 20 53.849 53.849 55.821 -1.972 19666
5684 1 19 . 1 1 20 20 CYS CB C 20 45.604 45.604 31.072 14.532 19666
5685 1 19 . 1 1 20 20 CYS H H 20 8.357 8.357 8.399 -0.042 19666
5686 1 19 . 1 1 21 21 ASP N N 21 119.297 119.297 121.840 -2.543 19666
5687 1 19 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.909 -0.129 19666
5688 1 19 . 1 1 21 21 ASP C C 21 175.903 175.903 176.957 -1.054 19666
5689 1 19 . 1 1 21 21 ASP CA C 21 53.839 53.839 53.714 0.125 19666
5690 1 19 . 1 1 21 21 ASP H H 21 8.077 8.077 8.653 -0.576 19666
5691 1 19 . 1 1 22 22 SER N N 22 113.751 113.751 117.745 -3.994 19666
5692 1 19 . 1 1 22 22 SER HA H 22 4.066 4.066 4.107 -0.041 19666
5693 1 19 . 1 1 22 22 SER C C 22 175.610 175.610 174.694 0.916 19666
5694 1 19 . 1 1 22 22 SER CA C 22 59.986 59.986 58.185 1.801 19666
5695 1 19 . 1 1 22 22 SER CB C 22 63.377 63.377 62.963 0.414 19666
5696 1 19 . 1 1 22 22 SER H H 22 8.477 8.477 8.982 -0.505 19666
5697 1 19 . 1 1 23 23 GLY N N 23 112.441 112.441 106.356 6.085 19666
5698 1 19 . 1 1 23 23 GLY C C 23 175.341 175.341 174.347 0.994 19666
5699 1 19 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.855 -0.230 19666
5700 1 19 . 1 1 23 23 GLY H H 23 8.666 8.666 8.300 0.366 19666
5701 1 19 . 1 1 24 24 GLU N N 24 115.429 115.429 119.535 -4.106 19666
5702 1 19 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.548 -0.228 19666
5703 1 19 . 1 1 24 24 GLU CA C 24 56.875 56.875 56.022 0.853 19666
5704 1 19 . 1 1 24 24 GLU CB C 24 32.969 32.969 31.544 1.425 19666
5705 1 19 . 1 1 24 24 GLU H H 24 7.852 7.852 7.913 -0.061 19666
5706 1 19 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.803 0.077 19666
5707 1 19 . 1 1 25 25 CYS C C 25 175.605 175.605 175.296 0.309 19666
5708 1 19 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.432 -2.015 19666
5709 1 19 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.628 11.379 19666
5710 1 19 . 1 1 26 26 CYS N N 26 122.988 122.988 121.609 1.379 19666
5711 1 19 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.321 0.248 19666
5712 1 19 . 1 1 26 26 CYS C C 26 172.335 172.335 176.489 -4.154 19666
5713 1 19 . 1 1 26 26 CYS CA C 26 55.441 55.441 60.420 -4.979 19666
5714 1 19 . 1 1 26 26 CYS CB C 26 38.977 38.977 28.526 10.450 19666
5715 1 19 . 1 1 26 26 CYS H H 26 9.987 9.987 8.571 1.416 19666
5716 1 19 . 1 1 27 27 GLN N N 27 119.472 119.472 120.092 -0.620 19666
5717 1 19 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.081 0.075 19666
5718 1 19 . 1 1 27 27 GLN C C 27 178.958 178.958 176.952 2.006 19666
5719 1 19 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.220 1.177 19666
5720 1 19 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.229 -0.095 19666
5721 1 19 . 1 1 27 27 GLN H H 27 8.129 8.129 8.396 -0.267 19666
5722 1 19 . 1 1 28 28 LYS N N 28 111.211 111.211 114.902 -3.691 19666
5723 1 19 . 1 1 28 28 LYS HA H 28 5.398 5.398 4.750 0.648 19666
5724 1 19 . 1 1 28 28 LYS C C 28 174.506 174.506 174.504 0.002 19666
5725 1 19 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.643 -0.926 19666
5726 1 19 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.353 2.869 19666
5727 1 19 . 1 1 28 28 LYS H H 28 7.945 7.945 7.540 0.405 19666
5728 1 19 . 1 1 29 29 GLN N N 29 120.527 120.527 119.074 1.453 19666
5729 1 19 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.013 0.260 19666
5730 1 19 . 1 1 29 29 GLN C C 29 173.392 173.392 173.862 -0.470 19666
5731 1 19 . 1 1 29 29 GLN CA C 29 54.499 54.499 55.427 -0.928 19666
5732 1 19 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.496 -0.503 19666
5733 1 19 . 1 1 29 29 GLN H H 29 9.096 9.096 8.999 0.097 19666
5734 1 19 . 1 1 30 30 TYR N N 30 130.371 130.371 126.733 3.638 19666
5735 1 19 . 1 1 30 30 TYR HA H 30 3.824 3.824 4.025 -0.201 19666
5736 1 19 . 1 1 30 30 TYR C C 30 173.213 173.213 173.355 -0.142 19666
5737 1 19 . 1 1 30 30 TYR CA C 30 58.018 58.018 57.404 0.614 19666
5738 1 19 . 1 1 30 30 TYR CB C 30 35.574 35.574 37.330 -1.756 19666
5739 1 19 . 1 1 30 30 TYR H H 30 8.378 8.378 8.339 0.039 19666
5740 1 19 . 1 1 31 31 LEU N N 31 132.129 132.129 124.757 7.372 19666
5741 1 19 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.485 -0.630 19666
5742 1 19 . 1 1 31 31 LEU C C 31 174.716 174.716 176.381 -1.665 19666
5743 1 19 . 1 1 31 31 LEU CA C 31 52.890 52.890 53.782 -0.892 19666
5744 1 19 . 1 1 31 31 LEU CB C 31 46.322 46.322 44.655 1.667 19666
5745 1 19 . 1 1 31 31 LEU H H 31 8.015 8.015 8.321 -0.306 19666
5746 1 19 . 1 1 32 32 TRP N N 32 126.855 126.855 121.780 5.075 19666
5747 1 19 . 1 1 32 32 TRP HA H 32 3.674 3.674 4.241 -0.567 19666
5748 1 19 . 1 1 32 32 TRP C C 32 176.444 176.444 175.864 0.580 19666
5749 1 19 . 1 1 32 32 TRP CA C 32 57.808 57.808 57.660 0.148 19666
5750 1 19 . 1 1 32 32 TRP CB C 32 24.551 24.551 26.860 -2.309 19666
5751 1 19 . 1 1 32 32 TRP H H 32 8.835 8.835 8.617 0.218 19666
5752 1 19 . 1 1 33 33 TYR N N 33 109.453 109.453 112.877 -3.424 19666
5753 1 19 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.358 0.083 19666
5754 1 19 . 1 1 33 33 TYR C C 33 173.802 173.802 174.856 -1.054 19666
5755 1 19 . 1 1 33 33 TYR CA C 33 59.804 59.804 59.033 0.770 19666
5756 1 19 . 1 1 33 33 TYR CB C 33 35.213 35.213 36.756 -1.543 19666
5757 1 19 . 1 1 33 33 TYR H H 33 8.021 8.021 8.091 -0.070 19666
5758 1 19 . 1 1 34 34 LYS N N 34 116.660 116.660 117.566 -0.906 19666
5759 1 19 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.565 -0.150 19666
5760 1 19 . 1 1 34 34 LYS C C 34 174.545 174.545 174.355 0.190 19666
5761 1 19 . 1 1 34 34 LYS CA C 34 55.268 55.268 55.032 0.236 19666
5762 1 19 . 1 1 34 34 LYS CB C 34 37.142 37.142 36.448 0.694 19666
5763 1 19 . 1 1 34 34 LYS H H 34 6.799 6.799 6.640 0.159 19666
5764 1 19 . 1 1 35 35 TRP N N 35 122.637 122.637 125.432 -2.795 19666
5765 1 19 . 1 1 35 35 TRP HA H 35 4.565 4.565 5.115 -0.550 19666
5766 1 19 . 1 1 35 35 TRP C C 35 176.720 176.720 176.906 -0.186 19666
5767 1 19 . 1 1 35 35 TRP CA C 35 58.264 58.264 57.627 0.637 19666
5768 1 19 . 1 1 35 35 TRP CB C 35 29.346 29.346 29.410 -0.064 19666
5769 1 19 . 1 1 35 35 TRP H H 35 8.786 8.786 8.949 -0.163 19666
5770 1 19 . 1 1 36 36 ARG N N 36 125.976 125.976 123.773 2.203 19666
5771 1 19 . 1 1 36 36 ARG HA H 36 5.133 5.133 5.043 0.090 19666
5772 1 19 . 1 1 36 36 ARG CA C 36 53.125 53.125 52.989 0.136 19666
5773 1 19 . 1 1 36 36 ARG CB C 36 31.094 31.094 31.448 -0.354 19666
5774 1 19 . 1 1 36 36 ARG H H 36 9.128 9.128 9.086 0.042 19666
5775 1 19 . 1 1 37 37 PRO HA H 37 5.364 5.364 4.565 0.799 19666
5776 1 19 . 1 1 37 37 PRO C C 37 175.961 175.961 176.153 -0.192 19666
5777 1 19 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.540 -0.520 19666
5778 1 19 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.729 -0.580 19666
5779 1 19 . 1 1 38 38 LEU N N 38 116.660 116.660 118.157 -1.497 19666
5780 1 19 . 1 1 38 38 LEU HA H 38 5.613 5.613 5.351 0.262 19666
5781 1 19 . 1 1 38 38 LEU C C 38 177.828 177.828 175.669 2.159 19666
5782 1 19 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.649 -1.161 19666
5783 1 19 . 1 1 38 38 LEU CB C 38 45.969 45.969 46.187 -0.218 19666
5784 1 19 . 1 1 38 38 LEU H H 38 7.047 7.047 8.505 -1.458 19666
5785 1 19 . 1 1 39 39 ASP N N 39 117.187 117.187 120.639 -3.452 19666
5786 1 19 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.964 -0.299 19666
5787 1 19 . 1 1 39 39 ASP C C 39 173.855 173.855 175.515 -1.660 19666
5788 1 19 . 1 1 39 39 ASP CA C 39 53.115 53.115 53.211 -0.096 19666
5789 1 19 . 1 1 39 39 ASP CB C 39 44.870 44.870 44.377 0.493 19666
5790 1 19 . 1 1 39 39 ASP H H 39 9.136 9.136 8.906 0.230 19666
5791 1 19 . 1 1 40 40 CYS N N 40 122.812 122.812 124.731 -1.919 19666
5792 1 19 . 1 1 40 40 CYS HA H 40 4.645 4.645 4.649 -0.004 19666
5793 1 19 . 1 1 40 40 CYS C C 40 173.638 173.638 174.624 -0.986 19666
5794 1 19 . 1 1 40 40 CYS CA C 40 56.149 56.149 59.841 -3.692 19666
5795 1 19 . 1 1 40 40 CYS CB C 40 38.887 38.887 25.720 13.167 19666
5796 1 19 . 1 1 40 40 CYS H H 40 8.704 8.704 8.805 -0.101 19666
5797 1 19 . 1 1 41 41 ARG N N 41 131.953 131.953 125.553 6.400 19666
5798 1 19 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.669 0.017 19666
5799 1 19 . 1 1 41 41 ARG C C 41 175.082 175.082 175.032 0.050 19666
5800 1 19 . 1 1 41 41 ARG CA C 41 54.050 54.050 54.111 -0.061 19666
5801 1 19 . 1 1 41 41 ARG CB C 41 32.462 32.462 34.665 -2.203 19666
5802 1 19 . 1 1 41 41 ARG H H 41 8.742 8.742 8.781 -0.039 19666
5803 1 19 . 1 1 42 42 CYS N N 42 123.340 123.340 122.441 0.899 19666
5804 1 19 . 1 1 42 42 CYS HA H 42 5.216 5.216 4.620 0.596 19666
5805 1 19 . 1 1 42 42 CYS C C 42 174.439 174.439 174.800 -0.361 19666
5806 1 19 . 1 1 42 42 CYS CA C 42 55.531 55.531 59.084 -3.554 19666
5807 1 19 . 1 1 42 42 CYS CB C 42 44.384 44.384 25.861 18.523 19666
5808 1 19 . 1 1 42 42 CYS H H 42 8.945 8.945 8.759 0.185 19666
5809 1 19 . 1 1 43 43 LEU N N 43 125.976 125.976 128.770 -2.794 19666
5810 1 19 . 1 1 43 43 LEU HA H 43 4.544 4.544 4.462 0.082 19666
5811 1 19 . 1 1 43 43 LEU C C 43 176.723 176.723 175.487 1.236 19666
5812 1 19 . 1 1 43 43 LEU CA C 43 54.458 54.458 55.157 -0.699 19666
5813 1 19 . 1 1 43 43 LEU CB C 43 43.516 43.516 42.809 0.707 19666
5814 1 19 . 1 1 43 43 LEU H H 43 8.722 8.722 8.245 0.477 19666
5815 1 19 . 1 1 44 44 LYS N N 44 122.285 122.285 123.139 -0.854 19666
5816 1 19 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.594 -0.073 19666
5817 1 19 . 1 1 44 44 LYS C C 44 176.254 176.254 175.252 1.002 19666
5818 1 19 . 1 1 44 44 LYS CA C 44 56.395 56.395 55.414 0.981 19666
5819 1 19 . 1 1 44 44 LYS CB C 44 33.171 33.171 34.312 -1.141 19666
5820 1 19 . 1 1 44 44 LYS H H 44 8.577 8.577 8.229 0.348 19666
5821 1 19 . 1 1 45 45 SER N N 45 117.715 117.715 118.496 -0.781 19666
5822 1 19 . 1 1 45 45 SER HA H 45 4.562 4.562 4.573 -0.011 19666
5823 1 19 . 1 1 45 45 SER C C 45 174.264 174.264 175.312 -1.048 19666
5824 1 19 . 1 1 45 45 SER CA C 45 57.318 57.318 57.692 -0.374 19666
5825 1 19 . 1 1 45 45 SER CB C 45 64.221 64.221 62.710 1.511 19666
5826 1 19 . 1 1 45 45 SER H H 45 8.254 8.254 8.616 -0.362 19666
5827 1 19 . 1 1 46 46 GLY N N 46 111.386 111.386 112.277 -0.891 19666
5828 1 19 . 1 1 46 46 GLY C C 46 174.068 174.068 174.648 -0.580 19666
5829 1 19 . 1 1 46 46 GLY CA C 46 45.310 45.310 45.683 -0.373 19666
5830 1 19 . 1 1 46 46 GLY H H 46 8.405 8.405 8.522 -0.117 19666
5831 1 19 . 1 1 47 47 PHE N N 47 120.703 120.703 117.742 2.961 19666
5832 1 19 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.556 -0.192 19666
5833 1 19 . 1 1 47 47 PHE C C 47 176.313 176.313 175.162 1.151 19666
5834 1 19 . 1 1 47 47 PHE CA C 47 58.892 58.892 57.002 1.890 19666
5835 1 19 . 1 1 47 47 PHE CB C 47 39.249 39.249 40.175 -0.926 19666
5836 1 19 . 1 1 47 47 PHE H H 47 8.362 8.362 7.591 0.771 19666
5837 1 19 . 1 1 48 48 PHE N N 48 117.363 117.363 119.207 -1.844 19666
5838 1 19 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.619 0.051 19666
5839 1 19 . 1 1 48 48 PHE C C 48 175.325 175.325 174.982 0.343 19666
5840 1 19 . 1 1 48 48 PHE CA C 48 57.687 57.687 58.610 -0.923 19666
5841 1 19 . 1 1 48 48 PHE CB C 48 39.669 39.669 39.747 -0.078 19666
5842 1 19 . 1 1 48 48 PHE H H 48 8.316 8.316 7.753 0.563 19666
5843 1 19 . 1 1 49 49 SER N N 49 114.726 114.726 116.086 -1.360 19666
5844 1 19 . 1 1 49 49 SER HA H 49 4.498 4.498 4.661 -0.163 19666
5845 1 19 . 1 1 49 49 SER C C 49 174.190 174.190 173.632 0.558 19666
5846 1 19 . 1 1 49 49 SER CA C 49 58.441 58.441 57.202 1.239 19666
5847 1 19 . 1 1 49 49 SER CB C 49 64.234 64.234 63.775 0.459 19666
5848 1 19 . 1 1 49 49 SER H H 49 7.831 7.831 8.064 -0.233 19666
5849 1 19 . 1 1 50 50 SER N N 50 117.363 117.363 122.884 -5.521 19666
5850 1 19 . 1 1 50 50 SER HA H 50 4.682 4.682 4.621 0.061 19666
5851 1 19 . 1 1 50 50 SER C C 50 173.200 173.200 174.218 -1.018 19666
5852 1 19 . 1 1 50 50 SER CA C 50 58.394 58.394 57.883 0.511 19666
5853 1 19 . 1 1 50 50 SER CB C 50 64.843 64.843 64.204 0.639 19666
5854 1 19 . 1 1 50 50 SER H H 50 8.396 8.396 8.708 -0.312 19666
5855 1 19 . 1 1 51 51 LYS N N 51 122.812 122.812 126.283 -3.471 19666
5856 1 19 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.531 -0.003 19666
5857 1 19 . 1 1 51 51 LYS C C 51 175.239 175.239 175.560 -0.321 19666
5858 1 19 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.816 -0.057 19666
5859 1 19 . 1 1 51 51 LYS CB C 51 34.450 34.450 33.568 0.882 19666
5860 1 19 . 1 1 51 51 LYS H H 51 8.453 8.453 8.031 0.422 19666
5861 1 19 . 1 1 52 52 CYS N N 52 124.922 124.922 124.426 0.496 19666
5862 1 19 . 1 1 52 52 CYS HA H 52 5.525 5.525 4.997 0.528 19666
5863 1 19 . 1 1 52 52 CYS C C 52 174.345 174.345 174.534 -0.189 19666
5864 1 19 . 1 1 52 52 CYS CA C 52 55.786 55.786 58.450 -2.664 19666
5865 1 19 . 1 1 52 52 CYS CB C 52 47.500 47.500 26.017 21.483 19666
5866 1 19 . 1 1 52 52 CYS H H 52 8.828 8.828 8.973 -0.145 19666
5867 1 19 . 1 1 53 53 VAL N N 53 117.187 117.187 119.672 -2.485 19666
5868 1 19 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.602 0.409 19666
5869 1 19 . 1 1 53 53 VAL C C 53 176.396 176.396 174.370 2.026 19666
5870 1 19 . 1 1 53 53 VAL CA C 53 59.190 59.190 60.027 -0.837 19666
5871 1 19 . 1 1 53 53 VAL CB C 53 37.293 37.293 35.147 2.146 19666
5872 1 19 . 1 1 53 53 VAL H H 53 8.625 8.625 8.612 0.013 19666
5873 1 19 . 1 1 54 54 CYS N N 54 120.703 120.703 123.134 -2.431 19666
5874 1 19 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.580 0.432 19666
5875 1 19 . 1 1 54 54 CYS C C 54 175.637 175.637 174.728 0.909 19666
5876 1 19 . 1 1 54 54 CYS CA C 54 55.432 55.432 60.527 -5.095 19666
5877 1 19 . 1 1 54 54 CYS CB C 54 40.268 40.268 24.867 15.401 19666
5878 1 19 . 1 1 54 54 CYS H H 54 8.072 8.072 8.303 -0.231 19666
5879 1 19 . 1 1 55 55 ARG N N 55 124.922 124.922 125.924 -1.002 19666
5880 1 19 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.848 0.005 19666
5881 1 19 . 1 1 55 55 ARG C C 55 174.029 174.029 174.467 -0.438 19666
5882 1 19 . 1 1 55 55 ARG CA C 55 53.194 53.194 52.850 0.344 19666
5883 1 19 . 1 1 55 55 ARG CB C 55 35.049 35.049 33.414 1.635 19666
5884 1 19 . 1 1 55 55 ARG H H 55 9.378 9.378 8.812 0.566 19666
5885 1 19 . 1 1 56 56 ASP N N 56 117.011 117.011 121.005 -3.994 19666
5886 1 19 . 1 1 56 56 ASP HA H 56 5.244 5.244 5.119 0.125 19666
5887 1 19 . 1 1 56 56 ASP C C 56 175.192 175.192 175.604 -0.412 19666
5888 1 19 . 1 1 56 56 ASP CA C 56 53.525 53.525 53.732 -0.207 19666
5889 1 19 . 1 1 56 56 ASP CB C 56 39.655 39.655 41.237 -1.582 19666
5890 1 19 . 1 1 56 56 ASP H H 56 9.693 9.693 8.648 1.045 19666
5891 1 20 . 1 1 2 2 ALA N N 2 124.746 124.746 125.139 -0.393 19666
5892 1 20 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.320 -0.093 19666
5893 1 20 . 1 1 2 2 ALA C C 2 176.106 176.106 176.780 -0.674 19666
5894 1 20 . 1 1 2 2 ALA CA C 2 52.504 52.504 51.174 1.330 19666
5895 1 20 . 1 1 2 2 ALA CB C 2 19.016 19.016 19.158 -0.142 19666
5896 1 20 . 1 1 2 2 ALA H H 2 8.421 8.421 8.304 0.117 19666
5897 1 20 . 1 1 3 3 LYS N N 3 120.527 120.527 118.616 1.911 19666
5898 1 20 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.503 -0.167 19666
5899 1 20 . 1 1 3 3 LYS C C 3 175.343 175.343 174.268 1.075 19666
5900 1 20 . 1 1 3 3 LYS CA C 3 54.848 54.848 54.750 0.098 19666
5901 1 20 . 1 1 3 3 LYS CB C 3 34.392 34.392 34.639 -0.247 19666
5902 1 20 . 1 1 3 3 LYS H H 3 8.275 8.275 8.366 -0.091 19666
5903 1 20 . 1 1 4 4 ASP N N 4 120.351 120.351 120.382 -0.031 19666
5904 1 20 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.496 -0.119 19666
5905 1 20 . 1 1 4 4 ASP C C 4 177.084 177.084 177.485 -0.401 19666
5906 1 20 . 1 1 4 4 ASP CA C 4 55.908 55.908 55.798 0.110 19666
5907 1 20 . 1 1 4 4 ASP CB C 4 41.206 41.206 40.580 0.626 19666
5908 1 20 . 1 1 4 4 ASP H H 4 8.288 8.288 8.450 -0.162 19666
5909 1 20 . 1 1 5 5 GLY N N 5 113.320 113.320 114.847 -1.527 19666
5910 1 20 . 1 1 5 5 GLY C C 5 174.205 174.205 173.718 0.487 19666
5911 1 20 . 1 1 5 5 GLY CA C 5 45.496 45.496 44.781 0.715 19666
5912 1 20 . 1 1 5 5 GLY H H 5 8.823 8.823 8.895 -0.072 19666
5913 1 20 . 1 1 6 6 ASP N N 6 121.054 121.054 121.366 -0.312 19666
5914 1 20 . 1 1 6 6 ASP HA H 6 4.641 4.641 5.127 -0.486 19666
5915 1 20 . 1 1 6 6 ASP C C 6 175.139 175.139 175.210 -0.071 19666
5916 1 20 . 1 1 6 6 ASP CA C 6 55.022 55.022 53.427 1.595 19666
5917 1 20 . 1 1 6 6 ASP CB C 6 41.095 41.095 42.652 -1.557 19666
5918 1 20 . 1 1 6 6 ASP H H 6 8.291 8.291 7.752 0.539 19666
5919 1 20 . 1 1 7 7 VAL N N 7 110.156 110.156 116.940 -6.784 19666
5920 1 20 . 1 1 7 7 VAL HA H 7 5.505 5.505 5.286 0.219 19666
5921 1 20 . 1 1 7 7 VAL C C 7 175.917 175.917 174.260 1.657 19666
5922 1 20 . 1 1 7 7 VAL CA C 7 59.486 59.486 59.331 0.155 19666
5923 1 20 . 1 1 7 7 VAL CB C 7 37.503 37.503 35.623 1.880 19666
5924 1 20 . 1 1 7 7 VAL H H 7 8.242 8.242 8.392 -0.150 19666
5925 1 20 . 1 1 8 8 GLU N N 8 119.824 119.824 121.454 -1.630 19666
5926 1 20 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.632 0.076 19666
5927 1 20 . 1 1 8 8 GLU C C 8 175.138 175.138 175.777 -0.639 19666
5928 1 20 . 1 1 8 8 GLU CA C 8 55.018 55.018 55.190 -0.172 19666
5929 1 20 . 1 1 8 8 GLU CB C 8 32.660 32.660 32.464 0.196 19666
5930 1 20 . 1 1 8 8 GLU H H 8 8.428 8.428 8.730 -0.302 19666
5931 1 20 . 1 1 9 9 GLY N N 9 112.265 112.265 110.380 1.885 19666
5932 1 20 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.298 0.389 19666
5933 1 20 . 1 1 9 9 GLY H H 9 8.498 8.498 8.311 0.187 19666
5934 1 20 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.512 -0.059 19666
5935 1 20 . 1 1 10 10 PRO C C 10 175.902 175.902 176.671 -0.769 19666
5936 1 20 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.814 -0.558 19666
5937 1 20 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.251 0.061 19666
5938 1 20 . 1 1 11 11 ALA N N 11 123.340 123.340 124.760 -1.420 19666
5939 1 20 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.131 0.030 19666
5940 1 20 . 1 1 11 11 ALA C C 11 179.442 179.442 178.234 1.208 19666
5941 1 20 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.182 0.484 19666
5942 1 20 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.651 -0.749 19666
5943 1 20 . 1 1 11 11 ALA H H 11 8.424 8.424 8.424 0.000 19666
5944 1 20 . 1 1 12 12 GLY N N 12 111.386 111.386 112.134 -0.748 19666
5945 1 20 . 1 1 12 12 GLY C C 12 174.908 174.908 174.867 0.041 19666
5946 1 20 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.494 0.661 19666
5947 1 20 . 1 1 12 12 GLY H H 12 8.795 8.795 8.701 0.094 19666
5948 1 20 . 1 1 13 13 CYS N N 13 118.593 118.593 117.879 0.714 19666
5949 1 20 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.688 -0.113 19666
5950 1 20 . 1 1 13 13 CYS C C 13 173.390 173.390 174.101 -0.711 19666
5951 1 20 . 1 1 13 13 CYS CA C 13 55.412 55.412 57.313 -1.901 19666
5952 1 20 . 1 1 13 13 CYS CB C 13 40.858 40.858 27.883 12.976 19666
5953 1 20 . 1 1 13 13 CYS H H 13 8.051 8.051 7.972 0.079 19666
5954 1 20 . 1 1 14 14 LYS N N 14 120.527 120.527 120.946 -0.419 19666
5955 1 20 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.409 0.004 19666
5956 1 20 . 1 1 14 14 LYS C C 14 174.523 174.523 175.805 -1.282 19666
5957 1 20 . 1 1 14 14 LYS CA C 14 56.695 56.695 56.206 0.488 19666
5958 1 20 . 1 1 14 14 LYS CB C 14 34.840 34.840 33.194 1.646 19666
5959 1 20 . 1 1 14 14 LYS H H 14 8.661 8.661 8.400 0.261 19666
5960 1 20 . 1 1 15 15 LYS N N 15 120.000 120.000 119.104 0.896 19666
5961 1 20 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.672 -0.627 19666
5962 1 20 . 1 1 15 15 LYS C C 15 174.446 174.446 174.984 -0.538 19666
5963 1 20 . 1 1 15 15 LYS CA C 15 55.806 55.806 54.488 1.318 19666
5964 1 20 . 1 1 15 15 LYS CB C 15 34.975 34.975 36.380 -1.405 19666
5965 1 20 . 1 1 15 15 LYS H H 15 7.335 7.335 8.226 -0.891 19666
5966 1 20 . 1 1 16 16 TYR N N 16 118.242 118.242 121.724 -3.482 19666
5967 1 20 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.216 -0.607 19666
5968 1 20 . 1 1 16 16 TYR C C 16 176.146 176.146 175.950 0.196 19666
5969 1 20 . 1 1 16 16 TYR CA C 16 59.985 59.985 61.130 -1.145 19666
5970 1 20 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.704 0.478 19666
5971 1 20 . 1 1 16 16 TYR H H 16 9.183 9.183 8.232 0.951 19666
5972 1 20 . 1 1 17 17 ASP N N 17 123.164 123.164 121.673 1.491 19666
5973 1 20 . 1 1 17 17 ASP HA H 17 4.089 4.089 3.909 0.180 19666
5974 1 20 . 1 1 17 17 ASP C C 17 174.793 174.793 174.327 0.466 19666
5975 1 20 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.211 0.171 19666
5976 1 20 . 1 1 17 17 ASP CB C 17 39.934 39.934 38.972 0.962 19666
5977 1 20 . 1 1 17 17 ASP H H 17 9.185 9.185 7.885 1.300 19666
5978 1 20 . 1 1 18 18 VAL N N 18 121.230 121.230 116.204 5.026 19666
5979 1 20 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.138 -0.169 19666
5980 1 20 . 1 1 18 18 VAL C C 18 175.615 175.615 175.044 0.571 19666
5981 1 20 . 1 1 18 18 VAL CA C 18 62.527 62.527 60.825 1.702 19666
5982 1 20 . 1 1 18 18 VAL CB C 18 31.705 31.705 36.218 -4.513 19666
5983 1 20 . 1 1 18 18 VAL H H 18 7.873 7.873 7.611 0.262 19666
5984 1 20 . 1 1 19 19 GLU N N 19 126.328 126.328 124.770 1.558 19666
5985 1 20 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.517 0.334 19666
5986 1 20 . 1 1 19 19 GLU C C 19 175.883 175.883 176.365 -0.482 19666
5987 1 20 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.091 0.336 19666
5988 1 20 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.935 -1.392 19666
5989 1 20 . 1 1 19 19 GLU H H 19 8.437 8.437 8.570 -0.134 19666
5990 1 20 . 1 1 20 20 CYS N N 20 117.715 117.715 118.673 -0.958 19666
5991 1 20 . 1 1 20 20 CYS HA H 20 4.920 4.920 5.031 -0.111 19666
5992 1 20 . 1 1 20 20 CYS C C 20 172.746 172.746 173.602 -0.856 19666
5993 1 20 . 1 1 20 20 CYS CA C 20 53.849 53.849 56.385 -2.536 19666
5994 1 20 . 1 1 20 20 CYS CB C 20 45.604 45.604 31.257 14.347 19666
5995 1 20 . 1 1 20 20 CYS H H 20 8.357 8.357 8.625 -0.268 19666
5996 1 20 . 1 1 21 21 ASP N N 21 119.297 119.297 121.550 -2.253 19666
5997 1 20 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.888 -0.108 19666
5998 1 20 . 1 1 21 21 ASP C C 21 175.903 175.903 176.787 -0.884 19666
5999 1 20 . 1 1 21 21 ASP CA C 21 53.839 53.839 54.323 -0.484 19666
6000 1 20 . 1 1 21 21 ASP H H 21 8.077 8.077 8.646 -0.569 19666
6001 1 20 . 1 1 22 22 SER N N 22 113.751 113.751 115.955 -2.204 19666
6002 1 20 . 1 1 22 22 SER HA H 22 4.066 4.066 4.075 -0.009 19666
6003 1 20 . 1 1 22 22 SER C C 22 175.610 175.610 174.688 0.922 19666
6004 1 20 . 1 1 22 22 SER CA C 22 59.986 59.986 58.441 1.545 19666
6005 1 20 . 1 1 22 22 SER CB C 22 63.377 63.377 62.300 1.077 19666
6006 1 20 . 1 1 22 22 SER H H 22 8.477 8.477 8.971 -0.494 19666
6007 1 20 . 1 1 23 23 GLY N N 23 112.441 112.441 106.711 5.730 19666
6008 1 20 . 1 1 23 23 GLY C C 23 175.341 175.341 174.223 1.118 19666
6009 1 20 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.785 -0.160 19666
6010 1 20 . 1 1 23 23 GLY H H 23 8.666 8.666 8.366 0.300 19666
6011 1 20 . 1 1 24 24 GLU N N 24 115.429 115.429 119.511 -4.082 19666
6012 1 20 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.546 -0.226 19666
6013 1 20 . 1 1 24 24 GLU CA C 24 56.875 56.875 56.093 0.782 19666
6014 1 20 . 1 1 24 24 GLU CB C 24 32.969 32.969 31.524 1.445 19666
6015 1 20 . 1 1 24 24 GLU H H 24 7.852 7.852 7.927 -0.075 19666
6016 1 20 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.745 0.135 19666
6017 1 20 . 1 1 25 25 CYS C C 25 175.605 175.605 175.298 0.307 19666
6018 1 20 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.319 -1.902 19666
6019 1 20 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.636 11.371 19666
6020 1 20 . 1 1 26 26 CYS N N 26 122.988 122.988 121.172 1.816 19666
6021 1 20 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.355 0.214 19666
6022 1 20 . 1 1 26 26 CYS C C 26 172.335 172.335 176.597 -4.262 19666
6023 1 20 . 1 1 26 26 CYS CA C 26 55.441 55.441 60.136 -4.695 19666
6024 1 20 . 1 1 26 26 CYS CB C 26 38.977 38.977 28.716 10.261 19666
6025 1 20 . 1 1 26 26 CYS H H 26 9.987 9.987 8.725 1.262 19666
6026 1 20 . 1 1 27 27 GLN N N 27 119.472 119.472 120.148 -0.676 19666
6027 1 20 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.081 0.075 19666
6028 1 20 . 1 1 27 27 GLN C C 27 178.958 178.958 176.995 1.963 19666
6029 1 20 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.309 1.088 19666
6030 1 20 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.208 -0.074 19666
6031 1 20 . 1 1 27 27 GLN H H 27 8.129 8.129 8.321 -0.192 19666
6032 1 20 . 1 1 28 28 LYS N N 28 111.211 111.211 114.981 -3.770 19666
6033 1 20 . 1 1 28 28 LYS HA H 28 5.398 5.398 4.936 0.462 19666
6034 1 20 . 1 1 28 28 LYS C C 28 174.506 174.506 175.035 -0.529 19666
6035 1 20 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.525 -0.808 19666
6036 1 20 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.349 2.873 19666
6037 1 20 . 1 1 28 28 LYS H H 28 7.945 7.945 7.509 0.436 19666
6038 1 20 . 1 1 29 29 GLN N N 29 120.527 120.527 119.035 1.492 19666
6039 1 20 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.216 0.057 19666
6040 1 20 . 1 1 29 29 GLN C C 29 173.392 173.392 173.863 -0.471 19666
6041 1 20 . 1 1 29 29 GLN CA C 29 54.499 54.499 55.282 -0.783 19666
6042 1 20 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.453 -0.460 19666
6043 1 20 . 1 1 29 29 GLN H H 29 9.096 9.096 8.921 0.175 19666
6044 1 20 . 1 1 30 30 TYR N N 30 130.371 130.371 126.433 3.938 19666
6045 1 20 . 1 1 30 30 TYR HA H 30 3.824 3.824 4.016 -0.192 19666
6046 1 20 . 1 1 30 30 TYR C C 30 173.213 173.213 173.635 -0.422 19666
6047 1 20 . 1 1 30 30 TYR CA C 30 58.018 58.018 58.406 -0.388 19666
6048 1 20 . 1 1 30 30 TYR CB C 30 35.574 35.574 37.749 -2.175 19666
6049 1 20 . 1 1 30 30 TYR H H 30 8.378 8.378 8.255 0.123 19666
6050 1 20 . 1 1 31 31 LEU N N 31 132.129 132.129 126.057 6.072 19666
6051 1 20 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.402 -0.547 19666
6052 1 20 . 1 1 31 31 LEU C C 31 174.716 174.716 175.772 -1.056 19666
6053 1 20 . 1 1 31 31 LEU CA C 31 52.890 52.890 53.712 -0.822 19666
6054 1 20 . 1 1 31 31 LEU CB C 31 46.322 46.322 45.661 0.661 19666
6055 1 20 . 1 1 31 31 LEU H H 31 8.015 8.015 8.442 -0.427 19666
6056 1 20 . 1 1 32 32 TRP N N 32 126.855 126.855 120.777 6.078 19666
6057 1 20 . 1 1 32 32 TRP HA H 32 3.674 3.674 3.807 -0.133 19666
6058 1 20 . 1 1 32 32 TRP C C 32 176.444 176.444 175.306 1.138 19666
6059 1 20 . 1 1 32 32 TRP CA C 32 57.808 57.808 58.045 -0.237 19666
6060 1 20 . 1 1 32 32 TRP CB C 32 24.551 24.551 27.079 -2.528 19666
6061 1 20 . 1 1 32 32 TRP H H 32 8.835 8.835 8.526 0.309 19666
6062 1 20 . 1 1 33 33 TYR N N 33 109.453 109.453 113.287 -3.834 19666
6063 1 20 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.485 -0.044 19666
6064 1 20 . 1 1 33 33 TYR C C 33 173.802 173.802 174.879 -1.077 19666
6065 1 20 . 1 1 33 33 TYR CA C 33 59.804 59.804 58.132 1.672 19666
6066 1 20 . 1 1 33 33 TYR CB C 33 35.213 35.213 35.518 -0.305 19666
6067 1 20 . 1 1 33 33 TYR H H 33 8.021 8.021 7.573 0.448 19666
6068 1 20 . 1 1 34 34 LYS N N 34 116.660 116.660 117.604 -0.944 19666
6069 1 20 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.618 -0.203 19666
6070 1 20 . 1 1 34 34 LYS C C 34 174.545 174.545 174.439 0.106 19666
6071 1 20 . 1 1 34 34 LYS CA C 34 55.268 55.268 55.144 0.124 19666
6072 1 20 . 1 1 34 34 LYS CB C 34 37.142 37.142 36.271 0.871 19666
6073 1 20 . 1 1 34 34 LYS H H 34 6.799 6.799 7.107 -0.308 19666
6074 1 20 . 1 1 35 35 TRP N N 35 122.637 122.637 123.470 -0.833 19666
6075 1 20 . 1 1 35 35 TRP HA H 35 4.565 4.565 5.036 -0.471 19666
6076 1 20 . 1 1 35 35 TRP C C 35 176.720 176.720 176.738 -0.018 19666
6077 1 20 . 1 1 35 35 TRP CA C 35 58.264 58.264 57.698 0.566 19666
6078 1 20 . 1 1 35 35 TRP CB C 35 29.346 29.346 29.338 0.008 19666
6079 1 20 . 1 1 35 35 TRP H H 35 8.786 8.786 8.949 -0.163 19666
6080 1 20 . 1 1 36 36 ARG N N 36 125.976 125.976 124.984 0.992 19666
6081 1 20 . 1 1 36 36 ARG HA H 36 5.133 5.133 4.970 0.163 19666
6082 1 20 . 1 1 36 36 ARG CA C 36 53.125 53.125 53.125 0.000 19666
6083 1 20 . 1 1 36 36 ARG CB C 36 31.094 31.094 31.500 -0.406 19666
6084 1 20 . 1 1 36 36 ARG H H 36 9.128 9.128 8.684 0.444 19666
6085 1 20 . 1 1 37 37 PRO HA H 37 5.364 5.364 4.647 0.717 19666
6086 1 20 . 1 1 37 37 PRO C C 37 175.961 175.961 176.057 -0.096 19666
6087 1 20 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.566 -0.546 19666
6088 1 20 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.809 -0.660 19666
6089 1 20 . 1 1 38 38 LEU N N 38 116.660 116.660 117.735 -1.075 19666
6090 1 20 . 1 1 38 38 LEU HA H 38 5.613 5.613 5.315 0.298 19666
6091 1 20 . 1 1 38 38 LEU C C 38 177.828 177.828 175.575 2.253 19666
6092 1 20 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.596 -1.108 19666
6093 1 20 . 1 1 38 38 LEU CB C 38 45.969 45.969 46.095 -0.126 19666
6094 1 20 . 1 1 38 38 LEU H H 38 7.047 7.047 8.457 -1.410 19666
6095 1 20 . 1 1 39 39 ASP N N 39 117.187 117.187 120.477 -3.290 19666
6096 1 20 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.926 -0.261 19666
6097 1 20 . 1 1 39 39 ASP C C 39 173.855 173.855 175.298 -1.443 19666
6098 1 20 . 1 1 39 39 ASP CA C 39 53.115 53.115 53.199 -0.083 19666
6099 1 20 . 1 1 39 39 ASP CB C 39 44.870 44.870 44.173 0.697 19666
6100 1 20 . 1 1 39 39 ASP H H 39 9.136 9.136 8.422 0.714 19666
6101 1 20 . 1 1 40 40 CYS N N 40 122.812 122.812 124.646 -1.834 19666
6102 1 20 . 1 1 40 40 CYS HA H 40 4.645 4.645 4.525 0.120 19666
6103 1 20 . 1 1 40 40 CYS C C 40 173.638 173.638 174.855 -1.217 19666
6104 1 20 . 1 1 40 40 CYS CA C 40 56.149 56.149 59.855 -3.707 19666
6105 1 20 . 1 1 40 40 CYS CB C 40 38.887 38.887 25.150 13.737 19666
6106 1 20 . 1 1 40 40 CYS H H 40 8.704 8.704 8.668 0.036 19666
6107 1 20 . 1 1 41 41 ARG N N 41 131.953 131.953 126.270 5.683 19666
6108 1 20 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.614 0.072 19666
6109 1 20 . 1 1 41 41 ARG C C 41 175.082 175.082 175.054 0.028 19666
6110 1 20 . 1 1 41 41 ARG CA C 41 54.050 54.050 54.429 -0.379 19666
6111 1 20 . 1 1 41 41 ARG CB C 41 32.462 32.462 33.554 -1.092 19666
6112 1 20 . 1 1 41 41 ARG H H 41 8.742 8.742 8.823 -0.081 19666
6113 1 20 . 1 1 42 42 CYS N N 42 123.340 123.340 120.437 2.903 19666
6114 1 20 . 1 1 42 42 CYS HA H 42 5.216 5.216 5.032 0.184 19666
6115 1 20 . 1 1 42 42 CYS C C 42 174.439 174.439 174.577 -0.138 19666
6116 1 20 . 1 1 42 42 CYS CA C 42 55.531 55.531 58.281 -2.750 19666
6117 1 20 . 1 1 42 42 CYS CB C 42 44.384 44.384 26.047 18.337 19666
6118 1 20 . 1 1 42 42 CYS H H 42 8.945 8.945 8.765 0.180 19666
6119 1 20 . 1 1 43 43 LEU N N 43 125.976 125.976 125.078 0.898 19666
6120 1 20 . 1 1 43 43 LEU HA H 43 4.544 4.544 4.755 -0.211 19666
6121 1 20 . 1 1 43 43 LEU C C 43 176.723 176.723 174.700 2.023 19666
6122 1 20 . 1 1 43 43 LEU CA C 43 54.458 54.458 54.734 -0.276 19666
6123 1 20 . 1 1 43 43 LEU CB C 43 43.516 43.516 44.443 -0.927 19666
6124 1 20 . 1 1 43 43 LEU H H 43 8.722 8.722 8.110 0.612 19666
6125 1 20 . 1 1 44 44 LYS N N 44 122.285 122.285 119.092 3.193 19666
6126 1 20 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.721 -0.200 19666
6127 1 20 . 1 1 44 44 LYS C C 44 176.254 176.254 174.932 1.322 19666
6128 1 20 . 1 1 44 44 LYS CA C 44 56.395 56.395 55.401 0.994 19666
6129 1 20 . 1 1 44 44 LYS CB C 44 33.171 33.171 34.675 -1.504 19666
6130 1 20 . 1 1 44 44 LYS H H 44 8.577 8.577 8.246 0.331 19666
6131 1 20 . 1 1 45 45 SER N N 45 117.715 117.715 115.896 1.819 19666
6132 1 20 . 1 1 45 45 SER HA H 45 4.562 4.562 4.339 0.223 19666
6133 1 20 . 1 1 45 45 SER C C 45 174.264 174.264 173.999 0.265 19666
6134 1 20 . 1 1 45 45 SER CA C 45 57.318 57.318 57.524 -0.206 19666
6135 1 20 . 1 1 45 45 SER CB C 45 64.221 64.221 62.430 1.791 19666
6136 1 20 . 1 1 45 45 SER H H 45 8.254 8.254 8.278 -0.024 19666
6137 1 20 . 1 1 46 46 GLY N N 46 111.386 111.386 111.506 -0.120 19666
6138 1 20 . 1 1 46 46 GLY C C 46 174.068 174.068 174.077 -0.009 19666
6139 1 20 . 1 1 46 46 GLY CA C 46 45.310 45.310 45.895 -0.585 19666
6140 1 20 . 1 1 46 46 GLY H H 46 8.405 8.405 8.231 0.174 19666
6141 1 20 . 1 1 47 47 PHE N N 47 120.703 120.703 116.780 3.923 19666
6142 1 20 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.206 0.158 19666
6143 1 20 . 1 1 47 47 PHE C C 47 176.313 176.313 175.665 0.648 19666
6144 1 20 . 1 1 47 47 PHE CA C 47 58.892 58.892 56.366 2.526 19666
6145 1 20 . 1 1 47 47 PHE CB C 47 39.249 39.249 40.220 -0.971 19666
6146 1 20 . 1 1 47 47 PHE H H 47 8.362 8.362 7.259 1.103 19666
6147 1 20 . 1 1 48 48 PHE N N 48 117.363 117.363 119.326 -1.963 19666
6148 1 20 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.555 0.115 19666
6149 1 20 . 1 1 48 48 PHE C C 48 175.325 175.325 176.450 -1.125 19666
6150 1 20 . 1 1 48 48 PHE CA C 48 57.687 57.687 58.777 -1.090 19666
6151 1 20 . 1 1 48 48 PHE CB C 48 39.669 39.669 39.239 0.430 19666
6152 1 20 . 1 1 48 48 PHE H H 48 8.316 8.316 8.235 0.081 19666
6153 1 20 . 1 1 49 49 SER N N 49 114.726 114.726 117.782 -3.056 19666
6154 1 20 . 1 1 49 49 SER HA H 49 4.498 4.498 4.699 -0.201 19666
6155 1 20 . 1 1 49 49 SER C C 49 174.190 174.190 174.053 0.137 19666
6156 1 20 . 1 1 49 49 SER CA C 49 58.441 58.441 57.825 0.617 19666
6157 1 20 . 1 1 49 49 SER CB C 49 64.234 64.234 63.485 0.749 19666
6158 1 20 . 1 1 49 49 SER H H 49 7.831 7.831 8.124 -0.293 19666
6159 1 20 . 1 1 50 50 SER N N 50 117.363 117.363 121.729 -4.366 19666
6160 1 20 . 1 1 50 50 SER HA H 50 4.682 4.682 4.556 0.126 19666
6161 1 20 . 1 1 50 50 SER C C 50 173.200 173.200 173.775 -0.575 19666
6162 1 20 . 1 1 50 50 SER CA C 50 58.394 58.394 58.801 -0.407 19666
6163 1 20 . 1 1 50 50 SER CB C 50 64.843 64.843 64.177 0.666 19666
6164 1 20 . 1 1 50 50 SER H H 50 8.396 8.396 8.542 -0.146 19666
6165 1 20 . 1 1 51 51 LYS N N 51 122.812 122.812 122.884 -0.072 19666
6166 1 20 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.633 -0.105 19666
6167 1 20 . 1 1 51 51 LYS C C 51 175.239 175.239 174.943 0.296 19666
6168 1 20 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.806 -0.048 19666
6169 1 20 . 1 1 51 51 LYS CB C 51 34.450 34.450 35.196 -0.746 19666
6170 1 20 . 1 1 51 51 LYS H H 51 8.453 8.453 8.451 0.002 19666
6171 1 20 . 1 1 52 52 CYS N N 52 124.922 124.922 123.177 1.745 19666
6172 1 20 . 1 1 52 52 CYS HA H 52 5.525 5.525 5.446 0.079 19666
6173 1 20 . 1 1 52 52 CYS C C 52 174.345 174.345 174.192 0.153 19666
6174 1 20 . 1 1 52 52 CYS CA C 52 55.786 55.786 57.882 -2.095 19666
6175 1 20 . 1 1 52 52 CYS CB C 52 47.500 47.500 26.401 21.099 19666
6176 1 20 . 1 1 52 52 CYS H H 52 8.828 8.828 8.877 -0.049 19666
6177 1 20 . 1 1 53 53 VAL N N 53 117.187 117.187 119.055 -1.868 19666
6178 1 20 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.672 0.339 19666
6179 1 20 . 1 1 53 53 VAL C C 53 176.396 176.396 174.548 1.848 19666
6180 1 20 . 1 1 53 53 VAL CA C 53 59.190 59.190 58.356 0.834 19666
6181 1 20 . 1 1 53 53 VAL CB C 53 37.293 37.293 34.141 3.152 19666
6182 1 20 . 1 1 53 53 VAL H H 53 8.625 8.625 8.759 -0.134 19666
6183 1 20 . 1 1 54 54 CYS N N 54 120.703 120.703 121.180 -0.477 19666
6184 1 20 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.395 0.617 19666
6185 1 20 . 1 1 54 54 CYS C C 54 175.637 175.637 174.490 1.147 19666
6186 1 20 . 1 1 54 54 CYS CA C 54 55.432 55.432 60.972 -5.540 19666
6187 1 20 . 1 1 54 54 CYS CB C 54 40.268 40.268 26.074 14.194 19666
6188 1 20 . 1 1 54 54 CYS H H 54 8.072 8.072 8.324 -0.252 19666
6189 1 20 . 1 1 55 55 ARG N N 55 124.922 124.922 122.135 2.787 19666
6190 1 20 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.881 -0.028 19666
6191 1 20 . 1 1 55 55 ARG C C 55 174.029 174.029 174.171 -0.142 19666
6192 1 20 . 1 1 55 55 ARG CA C 55 53.194 53.194 54.394 -1.200 19666
6193 1 20 . 1 1 55 55 ARG CB C 55 35.049 35.049 34.552 0.497 19666
6194 1 20 . 1 1 55 55 ARG H H 55 9.378 9.378 8.743 0.635 19666
6195 1 20 . 1 1 56 56 ASP N N 56 117.011 117.011 121.369 -4.358 19666
6196 1 20 . 1 1 56 56 ASP HA H 56 5.244 5.244 4.873 0.371 19666
6197 1 20 . 1 1 56 56 ASP C C 56 175.192 175.192 175.336 -0.144 19666
6198 1 20 . 1 1 56 56 ASP CA C 56 53.525 53.525 53.376 0.149 19666
6199 1 20 . 1 1 56 56 ASP CB C 56 39.655 39.655 40.983 -1.328 19666
6200 1 20 . 1 1 56 56 ASP H H 56 9.693 9.693 8.628 1.065 19666
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 52 3.173 0.080 3.203 19666
2 1 1 "Average Difference" HA 60 0.306 -0.038 0.306 19666
3 1 1 "Average Difference" C 52 1.110 0.038 1.121 19666
4 1 1 "Average Difference" CA 55 1.432 0.275 1.418 19666
5 1 1 "Average Difference" CB 49 6.150 -2.343 5.746 19666
6 1 1 "Average Difference" HN 52 0.511 -0.133 0.498 19666
7 1 2 "Average Difference" N 52 3.117 0.102 3.146 19666
8 1 2 "Average Difference" HA 60 0.330 -0.019 0.332 19666
9 1 2 "Average Difference" C 52 1.072 0.024 1.082 19666
10 1 2 "Average Difference" CA 55 1.468 0.173 1.472 19666
11 1 2 "Average Difference" CB 49 6.198 -2.237 5.840 19666
12 1 2 "Average Difference" HN 52 0.484 -0.055 0.485 19666
13 1 3 "Average Difference" N 52 2.965 0.354 2.972 19666
14 1 3 "Average Difference" HA 60 0.320 -0.050 0.319 19666
15 1 3 "Average Difference" C 52 1.118 0.078 1.126 19666
16 1 3 "Average Difference" CA 55 1.457 0.315 1.436 19666
17 1 3 "Average Difference" CB 49 6.118 -2.357 5.704 19666
18 1 3 "Average Difference" HN 52 0.527 -0.115 0.519 19666
19 1 4 "Average Difference" N 52 3.037 0.267 3.055 19666
20 1 4 "Average Difference" HA 60 0.341 -0.077 0.335 19666
21 1 4 "Average Difference" C 52 1.095 0.043 1.105 19666
22 1 4 "Average Difference" CA 55 1.566 0.291 1.553 19666
23 1 4 "Average Difference" CB 49 6.265 -2.330 5.875 19666
24 1 4 "Average Difference" HN 52 0.554 -0.107 0.549 19666
25 1 5 "Average Difference" N 52 3.055 0.081 3.084 19666
26 1 5 "Average Difference" HA 60 0.357 -0.050 0.357 19666
27 1 5 "Average Difference" C 52 1.118 0.012 1.129 19666
28 1 5 "Average Difference" CA 55 1.524 0.231 1.520 19666
29 1 5 "Average Difference" CB 49 6.227 -2.288 5.851 19666
30 1 5 "Average Difference" HN 52 0.538 -0.116 0.531 19666
31 1 6 "Average Difference" N 52 3.012 0.152 3.038 19666
32 1 6 "Average Difference" HA 60 0.340 -0.077 0.334 19666
33 1 6 "Average Difference" C 52 1.157 0.109 1.163 19666
34 1 6 "Average Difference" CA 55 1.559 0.336 1.537 19666
35 1 6 "Average Difference" CB 49 6.217 -2.421 5.785 19666
36 1 6 "Average Difference" HN 52 0.547 -0.085 0.546 19666
37 1 7 "Average Difference" N 52 2.909 -0.255 2.926 19666
38 1 7 "Average Difference" HA 60 0.324 -0.021 0.326 19666
39 1 7 "Average Difference" C 52 1.090 -0.050 1.100 19666
40 1 7 "Average Difference" CA 55 1.387 0.127 1.394 19666
41 1 7 "Average Difference" CB 49 6.125 -2.222 5.766 19666
42 1 7 "Average Difference" HN 52 0.514 -0.076 0.513 19666
43 1 8 "Average Difference" N 52 3.025 0.065 3.054 19666
44 1 8 "Average Difference" HA 60 0.333 -0.038 0.334 19666
45 1 8 "Average Difference" C 52 1.092 0.089 1.099 19666
46 1 8 "Average Difference" CA 55 1.409 0.237 1.402 19666
47 1 8 "Average Difference" CB 49 6.119 -2.295 5.730 19666
48 1 8 "Average Difference" HN 52 0.511 -0.077 0.510 19666
49 1 9 "Average Difference" N 52 3.101 -0.119 3.129 19666
50 1 9 "Average Difference" HA 60 0.327 -0.040 0.327 19666
51 1 9 "Average Difference" C 52 1.021 0.053 1.030 19666
52 1 9 "Average Difference" CA 55 1.440 0.234 1.433 19666
53 1 9 "Average Difference" CB 49 6.229 -2.307 5.846 19666
54 1 9 "Average Difference" HN 52 0.498 -0.069 0.498 19666
55 1 10 "Average Difference" N 52 3.000 0.479 2.990 19666
56 1 10 "Average Difference" HA 60 0.343 -0.053 0.342 19666
57 1 10 "Average Difference" C 52 1.059 0.113 1.063 19666
58 1 10 "Average Difference" CA 55 1.529 0.243 1.524 19666
59 1 10 "Average Difference" CB 49 6.227 -2.465 5.777 19666
60 1 10 "Average Difference" HN 52 0.596 -0.169 0.577 19666
61 1 11 "Average Difference" N 52 3.049 0.290 3.065 19666
62 1 11 "Average Difference" HA 60 0.327 -0.067 0.323 19666
63 1 11 "Average Difference" C 52 0.989 -0.005 0.999 19666
64 1 11 "Average Difference" CA 55 1.521 0.292 1.506 19666
65 1 11 "Average Difference" CB 49 6.211 -2.217 5.862 19666
66 1 11 "Average Difference" HN 52 0.497 -0.082 0.495 19666
67 1 12 "Average Difference" N 52 3.099 0.174 3.124 19666
68 1 12 "Average Difference" HA 60 0.325 -0.015 0.327 19666
69 1 12 "Average Difference" C 52 1.068 0.124 1.071 19666
70 1 12 "Average Difference" CA 55 1.414 0.242 1.406 19666
71 1 12 "Average Difference" CB 49 6.197 -2.307 5.811 19666
72 1 12 "Average Difference" HN 52 0.498 -0.064 0.499 19666
73 1 13 "Average Difference" N 52 3.042 0.153 3.067 19666
74 1 13 "Average Difference" HA 60 0.337 -0.056 0.335 19666
75 1 13 "Average Difference" C 52 1.029 0.068 1.037 19666
76 1 13 "Average Difference" CA 55 1.537 0.294 1.522 19666
77 1 13 "Average Difference" CB 49 6.298 -2.268 5.936 19666
78 1 13 "Average Difference" HN 52 0.499 -0.071 0.498 19666
79 1 14 "Average Difference" N 52 2.987 0.432 2.985 19666
80 1 14 "Average Difference" HA 60 0.357 -0.058 0.355 19666
81 1 14 "Average Difference" C 52 1.059 -0.010 1.069 19666
82 1 14 "Average Difference" CA 55 1.540 0.292 1.526 19666
83 1 14 "Average Difference" CB 49 6.249 -2.317 5.864 19666
84 1 14 "Average Difference" HN 52 0.501 -0.075 0.500 19666
85 1 15 "Average Difference" N 52 3.009 0.172 3.033 19666
86 1 15 "Average Difference" HA 60 0.311 -0.041 0.311 19666
87 1 15 "Average Difference" C 52 1.050 0.064 1.058 19666
88 1 15 "Average Difference" CA 55 1.397 0.212 1.393 19666
89 1 15 "Average Difference" CB 49 6.211 -2.375 5.799 19666
90 1 15 "Average Difference" HN 52 0.519 -0.112 0.512 19666
91 1 16 "Average Difference" N 52 2.917 0.057 2.945 19666
92 1 16 "Average Difference" HA 60 0.321 -0.054 0.319 19666
93 1 16 "Average Difference" C 52 1.128 0.075 1.136 19666
94 1 16 "Average Difference" CA 55 1.493 0.333 1.469 19666
95 1 16 "Average Difference" CB 49 6.192 -2.424 5.757 19666
96 1 16 "Average Difference" HN 52 0.539 -0.134 0.527 19666
97 1 17 "Average Difference" N 52 3.113 -0.057 3.143 19666
98 1 17 "Average Difference" HA 60 0.332 -0.006 0.334 19666
99 1 17 "Average Difference" C 52 1.062 0.045 1.072 19666
100 1 17 "Average Difference" CA 55 1.433 0.174 1.435 19666
101 1 17 "Average Difference" CB 49 6.148 -2.271 5.772 19666
102 1 17 "Average Difference" HN 52 0.479 -0.064 0.480 19666
103 1 18 "Average Difference" N 52 2.961 0.262 2.978 19666
104 1 18 "Average Difference" HA 60 0.312 -0.045 0.311 19666
105 1 18 "Average Difference" C 52 1.168 0.081 1.176 19666
106 1 18 "Average Difference" CA 55 1.462 0.196 1.462 19666
107 1 18 "Average Difference" CB 49 6.191 -2.417 5.759 19666
108 1 18 "Average Difference" HN 52 0.546 -0.106 0.541 19666
109 1 19 "Average Difference" N 52 3.171 0.668 3.130 19666
110 1 19 "Average Difference" HA 60 0.332 -0.066 0.328 19666
111 1 19 "Average Difference" C 52 1.104 0.107 1.109 19666
112 1 19 "Average Difference" CA 55 1.513 0.277 1.501 19666
113 1 19 "Average Difference" CB 49 6.220 -2.453 5.776 19666
114 1 19 "Average Difference" HN 52 0.534 -0.092 0.531 19666
115 1 20 "Average Difference" N 52 2.920 -0.073 2.947 19666
116 1 20 "Average Difference" HA 60 0.308 -0.057 0.305 19666
117 1 20 "Average Difference" C 52 1.092 -0.026 1.102 19666
118 1 20 "Average Difference" CA 55 1.523 0.294 1.508 19666
119 1 20 "Average Difference" CB 49 6.166 -2.322 5.771 19666
120 1 20 "Average Difference" HN 52 0.509 -0.106 0.502 19666
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 19666
_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 ALA N N 2 124.746 124.746 125.849 -1.103 19666
2 1 . 1 1 2 2 ALA HA H 2 4.227 4.227 4.420 -0.194 19666
3 1 . 1 1 2 2 ALA C C 2 176.106 176.106 176.543 -0.437 19666
4 1 . 1 1 2 2 ALA CA C 2 52.504 52.504 51.439 1.065 19666
5 1 . 1 1 2 2 ALA CB C 2 19.016 19.016 19.622 -0.606 19666
6 1 . 1 1 2 2 ALA H H 2 8.421 8.421 8.086 0.335 19666
7 1 . 1 1 3 3 LYS N N 3 120.527 120.527 119.504 1.023 19666
8 1 . 1 1 3 3 LYS HA H 3 4.336 4.336 4.461 -0.125 19666
9 1 . 1 1 3 3 LYS C C 3 175.343 175.343 175.171 0.172 19666
10 1 . 1 1 3 3 LYS CA C 3 54.848 54.848 54.866 -0.018 19666
11 1 . 1 1 3 3 LYS CB C 3 34.392 34.392 34.255 0.137 19666
12 1 . 1 1 3 3 LYS H H 3 8.275 8.275 8.357 -0.082 19666
13 1 . 1 1 4 4 ASP N N 4 120.351 120.351 120.229 0.122 19666
14 1 . 1 1 4 4 ASP HA H 4 4.377 4.377 4.390 -0.013 19666
15 1 . 1 1 4 4 ASP C C 4 177.084 177.084 177.592 -0.508 19666
16 1 . 1 1 4 4 ASP CA C 4 55.908 55.908 55.806 0.102 19666
17 1 . 1 1 4 4 ASP CB C 4 41.206 41.206 40.566 0.640 19666
18 1 . 1 1 4 4 ASP H H 4 8.288 8.288 8.405 -0.118 19666
19 1 . 1 1 5 5 GLY N N 5 113.320 113.320 114.305 -0.985 19666
20 1 . 1 1 5 5 GLY C C 5 174.205 174.205 173.942 0.263 19666
21 1 . 1 1 5 5 GLY CA C 5 45.496 45.496 44.831 0.665 19666
22 1 . 1 1 5 5 GLY H H 5 8.823 8.823 8.815 0.008 19666
23 1 . 1 1 6 6 ASP N N 6 121.054 121.054 122.112 -1.058 19666
24 1 . 1 1 6 6 ASP HA H 6 4.641 4.641 5.091 -0.450 19666
25 1 . 1 1 6 6 ASP C C 6 175.139 175.139 175.300 -0.161 19666
26 1 . 1 1 6 6 ASP CA C 6 55.022 55.022 54.182 0.840 19666
27 1 . 1 1 6 6 ASP CB C 6 41.095 41.095 42.344 -1.249 19666
28 1 . 1 1 6 6 ASP H H 6 8.291 8.291 7.759 0.532 19666
29 1 . 1 1 7 7 VAL N N 7 110.156 110.156 117.663 -7.507 19666
30 1 . 1 1 7 7 VAL HA H 7 5.505 5.505 5.224 0.281 19666
31 1 . 1 1 7 7 VAL C C 7 175.917 175.917 174.431 1.486 19666
32 1 . 1 1 7 7 VAL CA C 7 59.486 59.486 59.094 0.392 19666
33 1 . 1 1 7 7 VAL CB C 7 37.503 37.503 35.586 1.917 19666
34 1 . 1 1 7 7 VAL H H 7 8.242 8.242 8.352 -0.110 19666
35 1 . 1 1 8 8 GLU N N 8 119.824 119.824 121.174 -1.350 19666
36 1 . 1 1 8 8 GLU HA H 8 4.708 4.708 4.629 0.079 19666
37 1 . 1 1 8 8 GLU C C 8 175.138 175.138 175.470 -0.332 19666
38 1 . 1 1 8 8 GLU CA C 8 55.018 55.018 54.922 0.096 19666
39 1 . 1 1 8 8 GLU CB C 8 32.660 32.660 32.841 -0.181 19666
40 1 . 1 1 8 8 GLU H H 8 8.428 8.428 8.875 -0.447 19666
41 1 . 1 1 9 9 GLY N N 9 112.265 112.265 111.216 1.050 19666
42 1 . 1 1 9 9 GLY CA C 9 44.687 44.687 44.370 0.317 19666
43 1 . 1 1 9 9 GLY H H 9 8.498 8.498 8.258 0.240 19666
44 1 . 1 1 10 10 PRO HA H 10 4.453 4.453 4.509 -0.056 19666
45 1 . 1 1 10 10 PRO C C 10 175.902 175.902 176.667 -0.765 19666
46 1 . 1 1 10 10 PRO CA C 10 62.256 62.256 62.755 -0.499 19666
47 1 . 1 1 10 10 PRO CB C 10 32.312 32.312 32.231 0.081 19666
48 1 . 1 1 11 11 ALA N N 11 123.340 123.340 124.789 -1.449 19666
49 1 . 1 1 11 11 ALA HA H 11 4.161 4.161 4.129 0.032 19666
50 1 . 1 1 11 11 ALA C C 11 179.442 179.442 178.242 1.200 19666
51 1 . 1 1 11 11 ALA CA C 11 53.666 53.666 53.205 0.461 19666
52 1 . 1 1 11 11 ALA CB C 11 17.902 17.902 18.602 -0.700 19666
53 1 . 1 1 11 11 ALA H H 11 8.424 8.424 8.414 0.010 19666
54 1 . 1 1 12 12 GLY N N 12 111.386 111.386 111.756 -0.370 19666
55 1 . 1 1 12 12 GLY C C 12 174.908 174.908 174.745 0.163 19666
56 1 . 1 1 12 12 GLY CA C 12 45.155 45.155 44.517 0.638 19666
57 1 . 1 1 12 12 GLY H H 12 8.795 8.795 8.575 0.220 19666
58 1 . 1 1 13 13 CYS N N 13 118.593 118.593 117.569 1.024 19666
59 1 . 1 1 13 13 CYS HA H 13 4.575 4.575 4.656 -0.081 19666
60 1 . 1 1 13 13 CYS C C 13 173.390 173.390 174.467 -1.077 19666
61 1 . 1 1 13 13 CYS CA C 13 55.412 55.412 57.437 -2.025 19666
62 1 . 1 1 13 13 CYS CB C 13 40.858 40.858 28.606 12.252 19666
63 1 . 1 1 13 13 CYS H H 13 8.051 8.051 7.769 0.282 19666
64 1 . 1 1 14 14 LYS N N 14 120.527 120.527 121.523 -0.996 19666
65 1 . 1 1 14 14 LYS HA H 14 4.413 4.413 4.458 -0.045 19666
66 1 . 1 1 14 14 LYS C C 14 174.523 174.523 175.931 -1.408 19666
67 1 . 1 1 14 14 LYS CA C 14 56.695 56.695 55.657 1.038 19666
68 1 . 1 1 14 14 LYS CB C 14 34.840 34.840 32.964 1.876 19666
69 1 . 1 1 14 14 LYS H H 14 8.661 8.661 8.389 0.272 19666
70 1 . 1 1 15 15 LYS N N 15 120.000 120.000 120.492 -0.492 19666
71 1 . 1 1 15 15 LYS HA H 15 4.045 4.045 4.556 -0.511 19666
72 1 . 1 1 15 15 LYS C C 15 174.446 174.446 175.483 -1.037 19666
73 1 . 1 1 15 15 LYS CA C 15 55.806 55.806 54.927 0.879 19666
74 1 . 1 1 15 15 LYS CB C 15 34.975 34.975 35.320 -0.345 19666
75 1 . 1 1 15 15 LYS H H 15 7.335 7.335 8.370 -1.035 19666
76 1 . 1 1 16 16 TYR N N 16 118.242 118.242 121.442 -3.200 19666
77 1 . 1 1 16 16 TYR HA H 16 3.609 3.609 4.156 -0.547 19666
78 1 . 1 1 16 16 TYR C C 16 176.146 176.146 176.206 -0.060 19666
79 1 . 1 1 16 16 TYR CA C 16 59.985 59.985 60.697 -0.712 19666
80 1 . 1 1 16 16 TYR CB C 16 39.182 39.182 38.772 0.410 19666
81 1 . 1 1 16 16 TYR H H 16 9.183 9.183 8.143 1.040 19666
82 1 . 1 1 17 17 ASP N N 17 123.164 123.164 121.847 1.317 19666
83 1 . 1 1 17 17 ASP HA H 17 4.089 4.089 3.935 0.154 19666
84 1 . 1 1 17 17 ASP C C 17 174.793 174.793 174.239 0.554 19666
85 1 . 1 1 17 17 ASP CA C 17 55.382 55.382 55.353 0.029 19666
86 1 . 1 1 17 17 ASP CB C 17 39.934 39.934 39.228 0.706 19666
87 1 . 1 1 17 17 ASP H H 17 9.185 9.185 7.970 1.215 19666
88 1 . 1 1 18 18 VAL N N 18 121.230 121.230 116.107 5.123 19666
89 1 . 1 1 18 18 VAL HA H 18 3.969 3.969 4.187 -0.218 19666
90 1 . 1 1 18 18 VAL C C 18 175.615 175.615 175.085 0.530 19666
91 1 . 1 1 18 18 VAL CA C 18 62.527 62.527 60.521 2.006 19666
92 1 . 1 1 18 18 VAL CB C 18 31.705 31.705 36.096 -4.391 19666
93 1 . 1 1 18 18 VAL H H 18 7.873 7.873 7.525 0.348 19666
94 1 . 1 1 19 19 GLU N N 19 126.328 126.328 124.459 1.869 19666
95 1 . 1 1 19 19 GLU HA H 19 4.851 4.851 4.401 0.450 19666
96 1 . 1 1 19 19 GLU C C 19 175.883 175.883 175.937 -0.054 19666
97 1 . 1 1 19 19 GLU CA C 19 57.427 57.427 57.557 -0.130 19666
98 1 . 1 1 19 19 GLU CB C 19 29.543 29.543 30.752 -1.209 19666
99 1 . 1 1 19 19 GLU H H 19 8.437 8.437 8.560 -0.123 19666
100 1 . 1 1 20 20 CYS N N 20 117.715 117.715 119.143 -1.428 19666
101 1 . 1 1 20 20 CYS HA H 20 4.920 4.920 4.991 -0.071 19666
102 1 . 1 1 20 20 CYS C C 20 172.746 172.746 173.762 -1.016 19666
103 1 . 1 1 20 20 CYS CA C 20 53.849 53.849 55.982 -2.133 19666
104 1 . 1 1 20 20 CYS CB C 20 45.604 45.604 30.901 14.703 19666
105 1 . 1 1 20 20 CYS H H 20 8.357 8.357 8.491 -0.134 19666
106 1 . 1 1 21 21 ASP N N 21 119.297 119.297 121.352 -2.055 19666
107 1 . 1 1 21 21 ASP HA H 21 4.780 4.780 4.884 -0.104 19666
108 1 . 1 1 21 21 ASP C C 21 175.903 175.903 176.904 -1.001 19666
109 1 . 1 1 21 21 ASP CA C 21 53.839 53.839 53.899 -0.060 19666
110 1 . 1 1 21 21 ASP H H 21 8.077 8.077 8.641 -0.564 19666
111 1 . 1 1 22 22 SER N N 22 113.751 113.751 117.756 -4.005 19666
112 1 . 1 1 22 22 SER HA H 22 4.066 4.066 4.121 -0.055 19666
113 1 . 1 1 22 22 SER C C 22 175.610 175.610 174.711 0.899 19666
114 1 . 1 1 22 22 SER CA C 22 59.986 59.986 58.753 1.233 19666
115 1 . 1 1 22 22 SER CB C 22 63.377 63.377 62.635 0.742 19666
116 1 . 1 1 22 22 SER H H 22 8.477 8.477 8.974 -0.497 19666
117 1 . 1 1 23 23 GLY N N 23 112.441 112.441 106.685 5.756 19666
118 1 . 1 1 23 23 GLY C C 23 175.341 175.341 174.151 1.189 19666
119 1 . 1 1 23 23 GLY CA C 23 45.625 45.625 45.811 -0.186 19666
120 1 . 1 1 23 23 GLY H H 23 8.666 8.666 8.393 0.273 19666
121 1 . 1 1 24 24 GLU N N 24 115.429 115.429 119.625 -4.196 19666
122 1 . 1 1 24 24 GLU HA H 24 4.320 4.320 4.574 -0.254 19666
123 1 . 1 1 24 24 GLU CA C 24 56.875 56.875 55.833 1.042 19666
124 1 . 1 1 24 24 GLU CB C 24 32.969 32.969 31.327 1.642 19666
125 1 . 1 1 24 24 GLU H H 24 7.852 7.852 7.824 0.028 19666
126 1 . 1 1 25 25 CYS HA H 25 4.880 4.880 4.736 0.144 19666
127 1 . 1 1 25 25 CYS C C 25 175.605 175.605 175.132 0.473 19666
128 1 . 1 1 25 25 CYS CA C 25 56.417 56.417 58.475 -2.058 19666
129 1 . 1 1 25 25 CYS CB C 25 40.007 40.007 28.647 11.360 19666
130 1 . 1 1 26 26 CYS N N 26 122.988 122.988 121.631 1.357 19666
131 1 . 1 1 26 26 CYS HA H 26 4.569 4.569 4.343 0.226 19666
132 1 . 1 1 26 26 CYS C C 26 172.335 172.335 176.407 -4.072 19666
133 1 . 1 1 26 26 CYS CA C 26 55.441 55.441 60.199 -4.758 19666
134 1 . 1 1 26 26 CYS CB C 26 38.977 38.977 28.754 10.223 19666
135 1 . 1 1 26 26 CYS H H 26 9.987 9.987 8.699 1.288 19666
136 1 . 1 1 27 27 GLN N N 27 119.472 119.472 120.049 -0.577 19666
137 1 . 1 1 27 27 GLN HA H 27 4.156 4.156 4.086 0.070 19666
138 1 . 1 1 27 27 GLN C C 27 178.958 178.958 176.926 2.032 19666
139 1 . 1 1 27 27 GLN CA C 27 59.397 59.397 58.340 1.057 19666
140 1 . 1 1 27 27 GLN CB C 27 29.134 29.134 29.312 -0.177 19666
141 1 . 1 1 27 27 GLN H H 27 8.129 8.129 8.316 -0.187 19666
142 1 . 1 1 28 28 LYS N N 28 111.211 111.211 114.746 -3.535 19666
143 1 . 1 1 28 28 LYS HA H 28 5.398 5.398 4.886 0.512 19666
144 1 . 1 1 28 28 LYS C C 28 174.506 174.506 174.607 -0.101 19666
145 1 . 1 1 28 28 LYS CA C 28 54.717 54.717 55.595 -0.878 19666
146 1 . 1 1 28 28 LYS CB C 28 40.222 40.222 37.298 2.924 19666
147 1 . 1 1 28 28 LYS H H 28 7.945 7.945 7.496 0.449 19666
148 1 . 1 1 29 29 GLN N N 29 120.527 120.527 119.052 1.475 19666
149 1 . 1 1 29 29 GLN HA H 29 5.273 5.273 5.221 0.052 19666
150 1 . 1 1 29 29 GLN C C 29 173.392 173.392 173.860 -0.468 19666
151 1 . 1 1 29 29 GLN CA C 29 54.499 54.499 55.065 -0.566 19666
152 1 . 1 1 29 29 GLN CB C 29 32.993 32.993 33.593 -0.600 19666
153 1 . 1 1 29 29 GLN H H 29 9.096 9.096 9.080 0.016 19666
154 1 . 1 1 30 30 TYR N N 30 130.371 130.371 126.149 4.223 19666
155 1 . 1 1 30 30 TYR HA H 30 3.824 3.824 4.201 -0.377 19666
156 1 . 1 1 30 30 TYR C C 30 173.213 173.213 173.512 -0.299 19666
157 1 . 1 1 30 30 TYR CA C 30 58.018 58.018 57.288 0.730 19666
158 1 . 1 1 30 30 TYR CB C 30 35.574 35.574 37.593 -2.019 19666
159 1 . 1 1 30 30 TYR H H 30 8.378 8.378 8.520 -0.142 19666
160 1 . 1 1 31 31 LEU N N 31 132.129 132.129 125.302 6.827 19666
161 1 . 1 1 31 31 LEU HA H 31 3.855 3.855 4.438 -0.583 19666
162 1 . 1 1 31 31 LEU C C 31 174.716 174.716 176.141 -1.425 19666
163 1 . 1 1 31 31 LEU CA C 31 52.890 52.890 53.793 -0.903 19666
164 1 . 1 1 31 31 LEU CB C 31 46.322 46.322 45.042 1.280 19666
165 1 . 1 1 31 31 LEU H H 31 8.015 8.015 8.389 -0.374 19666
166 1 . 1 1 32 32 TRP N N 32 126.855 126.855 121.731 5.124 19666
167 1 . 1 1 32 32 TRP HA H 32 3.674 3.674 4.024 -0.351 19666
168 1 . 1 1 32 32 TRP C C 32 176.444 176.444 175.564 0.880 19666
169 1 . 1 1 32 32 TRP CA C 32 57.808 57.808 57.791 0.017 19666
170 1 . 1 1 32 32 TRP CB C 32 24.551 24.551 27.248 -2.697 19666
171 1 . 1 1 32 32 TRP H H 32 8.835 8.835 8.528 0.307 19666
172 1 . 1 1 33 33 TYR N N 33 109.453 109.453 112.531 -3.078 19666
173 1 . 1 1 33 33 TYR HA H 33 3.441 3.441 3.402 0.039 19666
174 1 . 1 1 33 33 TYR C C 33 173.802 173.802 174.806 -1.004 19666
175 1 . 1 1 33 33 TYR CA C 33 59.804 59.804 58.659 1.145 19666
176 1 . 1 1 33 33 TYR CB C 33 35.213 35.213 36.410 -1.197 19666
177 1 . 1 1 33 33 TYR H H 33 8.021 8.021 7.849 0.172 19666
178 1 . 1 1 34 34 LYS N N 34 116.660 116.660 117.580 -0.920 19666
179 1 . 1 1 34 34 LYS HA H 34 4.415 4.415 4.600 -0.185 19666
180 1 . 1 1 34 34 LYS C C 34 174.545 174.545 174.236 0.309 19666
181 1 . 1 1 34 34 LYS CA C 34 55.268 55.268 55.005 0.263 19666
182 1 . 1 1 34 34 LYS CB C 34 37.142 37.142 36.280 0.862 19666
183 1 . 1 1 34 34 LYS H H 34 6.799 6.799 6.934 -0.135 19666
184 1 . 1 1 35 35 TRP N N 35 122.637 122.637 123.897 -1.260 19666
185 1 . 1 1 35 35 TRP HA H 35 4.565 4.565 5.195 -0.630 19666
186 1 . 1 1 35 35 TRP C C 35 176.720 176.720 176.843 -0.123 19666
187 1 . 1 1 35 35 TRP CA C 35 58.264 58.264 57.318 0.946 19666
188 1 . 1 1 35 35 TRP CB C 35 29.346 29.346 29.563 -0.216 19666
189 1 . 1 1 35 35 TRP H H 35 8.786 8.786 8.865 -0.079 19666
190 1 . 1 1 36 36 ARG N N 36 125.976 125.976 124.474 1.502 19666
191 1 . 1 1 36 36 ARG HA H 36 5.133 5.133 5.019 0.114 19666
192 1 . 1 1 36 36 ARG CA C 36 53.125 53.125 53.085 0.040 19666
193 1 . 1 1 36 36 ARG CB C 36 31.094 31.094 31.395 -0.301 19666
194 1 . 1 1 36 36 ARG H H 36 9.128 9.128 8.928 0.200 19666
195 1 . 1 1 37 37 PRO HA H 37 5.364 5.364 4.676 0.688 19666
196 1 . 1 1 37 37 PRO C C 37 175.961 175.961 176.118 -0.157 19666
197 1 . 1 1 37 37 PRO CA C 37 62.020 62.020 62.537 -0.517 19666
198 1 . 1 1 37 37 PRO CB C 37 32.149 32.149 32.717 -0.568 19666
199 1 . 1 1 38 38 LEU N N 38 116.660 116.660 117.984 -1.323 19666
200 1 . 1 1 38 38 LEU HA H 38 5.613 5.613 5.180 0.433 19666
201 1 . 1 1 38 38 LEU C C 38 177.828 177.828 175.799 2.029 19666
202 1 . 1 1 38 38 LEU CA C 38 52.488 52.488 53.657 -1.169 19666
203 1 . 1 1 38 38 LEU CB C 38 45.969 45.969 46.104 -0.135 19666
204 1 . 1 1 38 38 LEU H H 38 7.047 7.047 8.445 -1.398 19666
205 1 . 1 1 39 39 ASP N N 39 117.187 117.187 120.339 -3.152 19666
206 1 . 1 1 39 39 ASP HA H 39 4.665 4.665 4.867 -0.202 19666
207 1 . 1 1 39 39 ASP C C 39 173.855 173.855 175.080 -1.225 19666
208 1 . 1 1 39 39 ASP CA C 39 53.115 53.115 53.306 -0.191 19666
209 1 . 1 1 39 39 ASP CB C 39 44.870 44.870 44.368 0.502 19666
210 1 . 1 1 39 39 ASP H H 39 9.136 9.136 8.508 0.628 19666
211 1 . 1 1 40 40 CYS N N 40 122.812 122.812 124.054 -1.242 19666
212 1 . 1 1 40 40 CYS HA H 40 4.645 4.645 4.619 0.026 19666
213 1 . 1 1 40 40 CYS C C 40 173.638 173.638 174.741 -1.103 19666
214 1 . 1 1 40 40 CYS CA C 40 56.149 56.149 59.637 -3.488 19666
215 1 . 1 1 40 40 CYS CB C 40 38.887 38.887 25.227 13.660 19666
216 1 . 1 1 40 40 CYS H H 40 8.704 8.704 8.841 -0.137 19666
217 1 . 1 1 41 41 ARG N N 41 131.953 131.953 125.873 6.080 19666
218 1 . 1 1 41 41 ARG HA H 41 4.686 4.686 4.656 0.030 19666
219 1 . 1 1 41 41 ARG C C 41 175.082 175.082 175.078 0.004 19666
220 1 . 1 1 41 41 ARG CA C 41 54.050 54.050 54.096 -0.046 19666
221 1 . 1 1 41 41 ARG CB C 41 32.462 32.462 33.584 -1.122 19666
222 1 . 1 1 41 41 ARG H H 41 8.742 8.742 8.815 -0.073 19666
223 1 . 1 1 42 42 CYS N N 42 123.340 123.340 122.259 1.081 19666
224 1 . 1 1 42 42 CYS HA H 42 5.216 5.216 4.970 0.246 19666
225 1 . 1 1 42 42 CYS C C 42 174.439 174.439 174.687 -0.248 19666
226 1 . 1 1 42 42 CYS CA C 42 55.531 55.531 58.261 -2.730 19666
227 1 . 1 1 42 42 CYS CB C 42 44.384 44.384 25.966 18.418 19666
228 1 . 1 1 42 42 CYS H H 42 8.945 8.945 8.733 0.212 19666
229 1 . 1 1 43 43 LEU N N 43 125.976 125.976 125.300 0.676 19666
230 1 . 1 1 43 43 LEU HA H 43 4.544 4.544 4.831 -0.287 19666
231 1 . 1 1 43 43 LEU C C 43 176.723 176.723 174.879 1.844 19666
232 1 . 1 1 43 43 LEU CA C 43 54.458 54.458 54.342 0.116 19666
233 1 . 1 1 43 43 LEU CB C 43 43.516 43.516 44.464 -0.948 19666
234 1 . 1 1 43 43 LEU H H 43 8.722 8.722 8.207 0.515 19666
235 1 . 1 1 44 44 LYS N N 44 122.285 122.285 120.409 1.876 19666
236 1 . 1 1 44 44 LYS HA H 44 4.521 4.521 4.689 -0.168 19666
237 1 . 1 1 44 44 LYS C C 44 176.254 176.254 175.584 0.670 19666
238 1 . 1 1 44 44 LYS CA C 44 56.395 56.395 55.713 0.682 19666
239 1 . 1 1 44 44 LYS CB C 44 33.171 33.171 34.416 -1.245 19666
240 1 . 1 1 44 44 LYS H H 44 8.577 8.577 8.299 0.278 19666
241 1 . 1 1 45 45 SER N N 45 117.715 117.715 118.260 -0.545 19666
242 1 . 1 1 45 45 SER HA H 45 4.562 4.562 4.544 0.018 19666
243 1 . 1 1 45 45 SER C C 45 174.264 174.264 174.740 -0.476 19666
244 1 . 1 1 45 45 SER CA C 45 57.318 57.318 57.665 -0.347 19666
245 1 . 1 1 45 45 SER CB C 45 64.221 64.221 62.862 1.359 19666
246 1 . 1 1 45 45 SER H H 45 8.254 8.254 8.715 -0.461 19666
247 1 . 1 1 46 46 GLY N N 46 111.386 111.386 112.325 -0.939 19666
248 1 . 1 1 46 46 GLY C C 46 174.068 174.068 174.078 -0.010 19666
249 1 . 1 1 46 46 GLY CA C 46 45.310 45.310 45.473 -0.163 19666
250 1 . 1 1 46 46 GLY H H 46 8.405 8.405 8.531 -0.126 19666
251 1 . 1 1 47 47 PHE N N 47 120.703 120.703 118.803 1.900 19666
252 1 . 1 1 47 47 PHE HA H 47 4.364 4.364 4.534 -0.170 19666
253 1 . 1 1 47 47 PHE C C 47 176.313 176.313 175.884 0.429 19666
254 1 . 1 1 47 47 PHE CA C 47 58.892 58.892 56.656 2.237 19666
255 1 . 1 1 47 47 PHE CB C 47 39.249 39.249 40.012 -0.763 19666
256 1 . 1 1 47 47 PHE H H 47 8.362 8.362 7.514 0.848 19666
257 1 . 1 1 48 48 PHE N N 48 117.363 117.363 119.878 -2.515 19666
258 1 . 1 1 48 48 PHE HA H 48 4.670 4.670 4.531 0.139 19666
259 1 . 1 1 48 48 PHE C C 48 175.325 175.325 176.088 -0.763 19666
260 1 . 1 1 48 48 PHE CA C 48 57.687 57.687 59.259 -1.572 19666
261 1 . 1 1 48 48 PHE CB C 48 39.669 39.669 39.321 0.348 19666
262 1 . 1 1 48 48 PHE H H 48 8.316 8.316 8.281 0.035 19666
263 1 . 1 1 49 49 SER N N 49 114.726 114.726 115.889 -1.163 19666
264 1 . 1 1 49 49 SER HA H 49 4.498 4.498 4.673 -0.175 19666
265 1 . 1 1 49 49 SER C C 49 174.190 174.190 173.599 0.591 19666
266 1 . 1 1 49 49 SER CA C 49 58.441 58.441 57.524 0.917 19666
267 1 . 1 1 49 49 SER CB C 49 64.234 64.234 63.788 0.446 19666
268 1 . 1 1 49 49 SER H H 49 7.831 7.831 7.879 -0.048 19666
269 1 . 1 1 50 50 SER N N 50 117.363 117.363 120.473 -3.110 19666
270 1 . 1 1 50 50 SER HA H 50 4.682 4.682 4.530 0.152 19666
271 1 . 1 1 50 50 SER C C 50 173.200 173.200 174.031 -0.831 19666
272 1 . 1 1 50 50 SER CA C 50 58.394 58.394 58.309 0.085 19666
273 1 . 1 1 50 50 SER CB C 50 64.843 64.843 64.274 0.569 19666
274 1 . 1 1 50 50 SER H H 50 8.396 8.396 8.448 -0.052 19666
275 1 . 1 1 51 51 LYS N N 51 122.812 122.812 124.603 -1.791 19666
276 1 . 1 1 51 51 LYS HA H 51 4.528 4.528 4.587 -0.059 19666
277 1 . 1 1 51 51 LYS C C 51 175.239 175.239 175.356 -0.117 19666
278 1 . 1 1 51 51 LYS CA C 51 55.759 55.759 55.470 0.289 19666
279 1 . 1 1 51 51 LYS CB C 51 34.450 34.450 34.571 -0.121 19666
280 1 . 1 1 51 51 LYS H H 51 8.453 8.453 8.276 0.177 19666
281 1 . 1 1 52 52 CYS N N 52 124.922 124.922 122.318 2.604 19666
282 1 . 1 1 52 52 CYS HA H 52 5.525 5.525 5.243 0.282 19666
283 1 . 1 1 52 52 CYS C C 52 174.345 174.345 174.433 -0.088 19666
284 1 . 1 1 52 52 CYS CA C 52 55.786 55.786 58.037 -2.251 19666
285 1 . 1 1 52 52 CYS CB C 52 47.500 47.500 26.198 21.302 19666
286 1 . 1 1 52 52 CYS H H 52 8.828 8.828 8.851 -0.023 19666
287 1 . 1 1 53 53 VAL N N 53 117.187 117.187 118.538 -1.351 19666
288 1 . 1 1 53 53 VAL HA H 53 5.011 5.011 4.718 0.293 19666
289 1 . 1 1 53 53 VAL C C 53 176.396 176.396 174.498 1.898 19666
290 1 . 1 1 53 53 VAL CA C 53 59.190 59.190 59.057 0.133 19666
291 1 . 1 1 53 53 VAL CB C 53 37.293 37.293 34.759 2.534 19666
292 1 . 1 1 53 53 VAL H H 53 8.625 8.625 8.647 -0.022 19666
293 1 . 1 1 54 54 CYS N N 54 120.703 120.703 121.544 -0.841 19666
294 1 . 1 1 54 54 CYS HA H 54 5.012 5.012 4.545 0.467 19666
295 1 . 1 1 54 54 CYS C C 54 175.637 175.637 174.647 0.990 19666
296 1 . 1 1 54 54 CYS CA C 54 55.432 55.432 60.347 -4.915 19666
297 1 . 1 1 54 54 CYS CB C 54 40.268 40.268 25.474 14.794 19666
298 1 . 1 1 54 54 CYS H H 54 8.072 8.072 8.344 -0.272 19666
299 1 . 1 1 55 55 ARG N N 55 124.922 124.922 123.466 1.456 19666
300 1 . 1 1 55 55 ARG HA H 55 4.853 4.853 4.841 0.012 19666
301 1 . 1 1 55 55 ARG C C 55 174.029 174.029 174.477 -0.448 19666
302 1 . 1 1 55 55 ARG CA C 55 53.194 53.194 53.849 -0.655 19666
303 1 . 1 1 55 55 ARG CB C 55 35.049 35.049 34.379 0.670 19666
304 1 . 1 1 55 55 ARG H H 55 9.378 9.378 8.717 0.661 19666
305 1 . 1 1 56 56 ASP N N 56 117.011 117.011 121.473 -4.462 19666
306 1 . 1 1 56 56 ASP HA H 56 5.244 5.244 4.926 0.318 19666
307 1 . 1 1 56 56 ASP C C 56 175.192 175.192 175.666 -0.473 19666
308 1 . 1 1 56 56 ASP CA C 56 53.525 53.525 53.955 -0.430 19666
309 1 . 1 1 56 56 ASP CB C 56 39.655 39.655 40.962 -1.307 19666
310 1 . 1 1 56 56 ASP H H 56 9.693 9.693 8.686 1.007 19666
stop_
save_