data_25102
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25102
_Entry.PDB_ID 2MS3
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 25102
_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 PRO HA H 2 4.475 4.475 4.766 -0.291 25102
2 1 1 . 1 1 3 3 ARG N N 3 117.071 117.071 116.619 0.452 25102
3 1 1 . 1 1 3 3 ARG HA H 3 4.625 4.625 5.022 -0.397 25102
4 1 1 . 1 1 3 3 ARG H H 3 8.107 8.107 8.425 -0.318 25102
5 1 1 . 1 1 4 4 MET N N 4 117.614 117.614 121.343 -3.729 25102
6 1 1 . 1 1 4 4 MET HA H 4 5.110 5.110 4.862 0.248 25102
7 1 1 . 1 1 4 4 MET H H 4 8.381 8.381 8.476 -0.095 25102
8 1 1 . 1 1 5 5 GLN N N 5 122.654 122.654 115.982 6.672 25102
9 1 1 . 1 1 5 5 GLN HA H 5 5.037 5.037 5.281 -0.244 25102
10 1 1 . 1 1 5 5 GLN H H 5 9.675 9.675 8.260 1.415 25102
11 1 1 . 1 1 6 6 CYS N N 6 135.155 135.155 119.838 15.317 25102
12 1 1 . 1 1 6 6 CYS HA H 6 2.658 2.658 4.487 -1.829 25102
13 1 1 . 1 1 6 6 CYS H H 6 9.415 9.415 8.313 1.102 25102
14 1 1 . 1 1 7 7 SER N N 7 125.596 125.596 121.545 4.051 25102
15 1 1 . 1 1 7 7 SER HA H 7 4.167 4.167 4.408 -0.241 25102
16 1 1 . 1 1 7 7 SER H H 7 8.147 8.147 8.712 -0.565 25102
17 1 1 . 1 1 8 8 VAL N N 8 128.046 128.046 121.668 6.378 25102
18 1 1 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.224 -0.357 25102
19 1 1 . 1 1 8 8 VAL H H 8 9.074 9.074 8.046 1.028 25102
20 1 1 . 1 1 9 9 CYS N N 9 124.350 124.350 118.146 6.204 25102
21 1 1 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.748 0.129 25102
22 1 1 . 1 1 9 9 CYS H H 9 9.443 9.443 8.394 1.049 25102
23 1 1 . 1 1 10 10 GLN N N 10 115.176 115.176 119.535 -4.359 25102
24 1 1 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.166 -0.174 25102
25 1 1 . 1 1 10 10 GLN H H 10 7.596 7.596 8.262 -0.666 25102
26 1 1 . 1 1 11 11 TRP N N 11 128.644 128.644 121.908 6.736 25102
27 1 1 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.941 -0.843 25102
28 1 1 . 1 1 11 11 TRP H H 11 9.200 9.200 7.762 1.438 25102
29 1 1 . 1 1 12 12 ILE N N 12 125.601 125.601 128.596 -2.995 25102
30 1 1 . 1 1 12 12 ILE HA H 12 4.314 4.314 4.477 -0.163 25102
31 1 1 . 1 1 12 12 ILE H H 12 6.788 6.788 8.394 -1.606 25102
32 1 1 . 1 1 13 13 TYR N N 13 126.171 126.171 129.546 -3.375 25102
33 1 1 . 1 1 13 13 TYR HA H 13 3.877 3.877 4.200 -0.323 25102
34 1 1 . 1 1 13 13 TYR H H 13 8.986 8.986 8.927 0.059 25102
35 1 1 . 1 1 14 14 ASP N N 14 129.316 129.316 129.019 0.297 25102
36 1 1 . 1 1 14 14 ASP HA H 14 4.835 4.835 5.049 -0.214 25102
37 1 1 . 1 1 14 14 ASP H H 14 8.569 8.569 8.037 0.532 25102
38 1 1 . 1 1 15 15 PRO HA H 15 3.972 3.972 4.063 -0.091 25102
39 1 1 . 1 1 16 16 ALA N N 16 117.037 117.037 118.027 -0.990 25102
40 1 1 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.206 -0.358 25102
41 1 1 . 1 1 16 16 ALA H H 16 7.923 7.923 8.403 -0.480 25102
42 1 1 . 1 1 17 17 LYS N N 17 115.236 115.236 115.772 -0.536 25102
43 1 1 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.483 -0.229 25102
44 1 1 . 1 1 17 17 LYS H H 17 7.635 7.635 8.056 -0.421 25102
45 1 1 . 1 1 18 18 GLY N N 18 105.765 105.765 110.006 -4.241 25102
46 1 1 . 1 1 18 18 GLY H H 18 7.865 7.865 8.130 -0.265 25102
47 1 1 . 1 1 19 19 GLU N N 19 122.724 122.724 120.112 2.612 25102
48 1 1 . 1 1 19 19 GLU HA H 19 5.079 5.079 4.983 0.096 25102
49 1 1 . 1 1 19 19 GLU H H 19 9.072 9.072 8.349 0.723 25102
50 1 1 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.304 -0.106 25102
51 1 1 . 1 1 21 21 MET N N 21 120.818 120.818 115.591 5.227 25102
52 1 1 . 1 1 21 21 MET HA H 21 4.259 4.259 4.625 -0.366 25102
53 1 1 . 1 1 21 21 MET H H 21 9.643 9.643 7.876 1.767 25102
54 1 1 . 1 1 22 22 GLN N N 22 118.335 118.335 119.454 -1.119 25102
55 1 1 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.508 -0.053 25102
56 1 1 . 1 1 22 22 GLN H H 22 7.656 7.656 8.373 -0.717 25102
57 1 1 . 1 1 23 23 ASP N N 23 115.262 115.262 115.451 -0.189 25102
58 1 1 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.479 -0.315 25102
59 1 1 . 1 1 23 23 ASP H H 23 7.757 7.757 7.967 -0.210 25102
60 1 1 . 1 1 24 24 VAL N N 24 119.478 119.478 119.293 0.185 25102
61 1 1 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.296 -0.134 25102
62 1 1 . 1 1 24 24 VAL H H 24 7.534 7.534 7.529 0.005 25102
63 1 1 . 1 1 25 25 ALA N N 25 132.445 132.445 129.989 2.456 25102
64 1 1 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.746 -0.346 25102
65 1 1 . 1 1 25 25 ALA H H 25 8.565 8.565 8.498 0.067 25102
66 1 1 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.119 -0.455 25102
67 1 1 . 1 1 27 27 GLY N N 27 106.448 106.448 109.416 -2.968 25102
68 1 1 . 1 1 27 27 GLY H H 27 8.200 8.200 8.656 -0.456 25102
69 1 1 . 1 1 28 28 THR N N 28 118.305 118.305 115.347 2.958 25102
70 1 1 . 1 1 28 28 THR HA H 28 4.355 4.355 4.591 -0.236 25102
71 1 1 . 1 1 28 28 THR H H 28 7.251 7.251 7.711 -0.460 25102
72 1 1 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.561 0.123 25102
73 1 1 . 1 1 30 30 TRP N N 30 123.786 123.786 127.937 -4.151 25102
74 1 1 . 1 1 30 30 TRP HA H 30 3.957 3.957 3.976 -0.019 25102
75 1 1 . 1 1 30 30 TRP H H 30 9.563 9.563 8.885 0.678 25102
76 1 1 . 1 1 31 31 SER N N 31 111.431 111.431 113.305 -1.874 25102
77 1 1 . 1 1 31 31 SER HA H 31 3.859 3.859 3.977 -0.118 25102
78 1 1 . 1 1 31 31 SER H H 31 8.443 8.443 7.953 0.490 25102
79 1 1 . 1 1 32 32 GLU N N 32 119.555 119.555 121.014 -1.459 25102
80 1 1 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.140 0.029 25102
81 1 1 . 1 1 32 32 GLU H H 32 7.594 7.594 7.739 -0.145 25102
82 1 1 . 1 1 33 33 VAL N N 33 125.616 125.616 122.893 2.723 25102
83 1 1 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.691 -0.153 25102
84 1 1 . 1 1 33 33 VAL H H 33 7.063 7.063 7.518 -0.455 25102
85 1 1 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.342 -0.187 25102
86 1 1 . 1 1 35 35 ASP N N 35 118.884 118.884 122.530 -3.646 25102
87 1 1 . 1 1 35 35 ASP HA H 35 4.053 4.053 4.039 0.014 25102
88 1 1 . 1 1 35 35 ASP H H 35 8.381 8.381 8.853 -0.472 25102
89 1 1 . 1 1 36 36 ASN N N 36 115.350 115.350 117.154 -1.804 25102
90 1 1 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.503 0.051 25102
91 1 1 . 1 1 36 36 ASN H H 36 7.864 7.864 7.888 -0.024 25102
92 1 1 . 1 1 37 37 PHE N N 37 122.004 122.004 120.133 1.871 25102
93 1 1 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.323 -0.459 25102
94 1 1 . 1 1 37 37 PHE H H 37 7.397 7.397 7.961 -0.564 25102
95 1 1 . 1 1 38 38 LEU N N 38 127.420 127.420 128.219 -0.799 25102
96 1 1 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.399 0.325 25102
97 1 1 . 1 1 38 38 LEU H H 38 7.907 7.907 7.242 0.665 25102
98 1 1 . 1 1 39 39 CYS N N 39 125.807 125.807 124.325 1.482 25102
99 1 1 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.161 -0.107 25102
100 1 1 . 1 1 39 39 CYS H H 39 9.568 9.568 8.981 0.587 25102
101 1 1 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.199 -0.320 25102
102 1 1 . 1 1 41 41 GLU N N 41 120.864 120.864 117.659 3.205 25102
103 1 1 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.367 -0.043 25102
104 1 1 . 1 1 41 41 GLU H H 41 8.422 8.422 8.033 0.389 25102
105 1 1 . 1 1 42 42 CYS N N 42 121.478 121.478 117.332 4.146 25102
106 1 1 . 1 1 42 42 CYS HA H 42 4.774 4.774 4.979 -0.205 25102
107 1 1 . 1 1 42 42 CYS H H 42 8.562 8.562 7.483 1.079 25102
108 1 1 . 1 1 43 43 SER N N 43 114.585 114.585 118.365 -3.780 25102
109 1 1 . 1 1 43 43 SER HA H 43 4.048 4.048 4.007 0.041 25102
110 1 1 . 1 1 43 43 SER H H 43 7.905 7.905 8.714 -0.809 25102
111 1 1 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.175 0.452 25102
112 1 1 . 1 1 44 44 LEU H H 44 7.920 7.920 8.027 -0.107 25102
113 1 1 . 1 1 45 45 GLY N N 45 103.239 103.239 109.295 -6.056 25102
114 1 1 . 1 1 45 45 GLY H H 45 8.158 8.158 8.758 -0.600 25102
115 1 1 . 1 1 46 46 LYS N N 46 113.276 113.276 117.235 -3.959 25102
116 1 1 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.277 -0.163 25102
117 1 1 . 1 1 46 46 LYS H H 46 8.269 8.269 8.423 -0.154 25102
118 1 1 . 1 1 47 47 ASP N N 47 115.186 115.186 118.103 -2.917 25102
119 1 1 . 1 1 47 47 ASP HA H 47 4.493 4.493 4.666 -0.173 25102
120 1 1 . 1 1 47 47 ASP H H 47 8.910 8.910 8.513 0.397 25102
121 1 1 . 1 1 48 48 VAL N N 48 110.836 110.836 118.427 -7.591 25102
122 1 1 . 1 1 48 48 VAL HA H 48 4.607 4.607 4.125 0.482 25102
123 1 1 . 1 1 48 48 VAL H H 48 7.756 7.756 7.887 -0.131 25102
124 1 1 . 1 1 49 49 PHE N N 49 124.366 124.366 118.679 5.687 25102
125 1 1 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.631 0.238 25102
126 1 1 . 1 1 49 49 PHE H H 49 8.064 8.064 7.568 0.496 25102
127 1 1 . 1 1 50 50 GLU N N 50 120.147 120.147 121.385 -1.238 25102
128 1 1 . 1 1 50 50 GLU HA H 50 4.619 4.619 4.526 0.093 25102
129 1 1 . 1 1 50 50 GLU H H 50 8.729 8.729 8.341 0.388 25102
130 1 1 . 1 1 51 51 GLU N N 51 123.941 123.941 116.580 7.361 25102
131 1 1 . 1 1 51 51 GLU HA H 51 4.753 4.753 4.013 0.740 25102
132 1 1 . 1 1 51 51 GLU H H 51 8.739 8.739 8.434 0.305 25102
133 1 1 . 1 1 52 52 LEU N N 52 126.863 126.863 121.076 5.787 25102
134 1 1 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.661 -0.349 25102
135 1 1 . 1 1 52 52 LEU H H 52 8.207 8.207 8.375 -0.168 25102
136 1 1 . 1 1 53 53 ALA N N 53 128.679 128.679 119.657 9.022 25102
137 1 1 . 1 1 53 53 ALA HA H 53 4.259 4.259 4.763 -0.504 25102
138 1 1 . 1 1 53 53 ALA H H 53 8.494 8.494 7.992 0.502 25102
139 1 1 . 1 1 54 54 SER N N 54 113.369 113.369 113.461 -0.092 25102
140 1 1 . 1 1 54 54 SER HA H 54 4.706 4.706 4.204 0.502 25102
141 1 1 . 1 1 54 54 SER H H 54 8.893 8.893 8.723 0.170 25102
142 1 1 . 1 1 55 55 GLU N N 55 115.612 115.612 125.831 -10.219 25102
143 1 1 . 1 1 55 55 GLU HA H 55 3.776 3.776 4.540 -0.764 25102
144 1 1 . 1 1 55 55 GLU H H 55 8.296 8.296 8.466 -0.170 25102
145 1 1 . 1 1 56 56 ALA N N 56 125.675 125.675 125.652 0.023 25102
146 1 1 . 1 1 56 56 ALA HA H 56 4.223 4.223 4.426 -0.203 25102
147 1 1 . 1 1 56 56 ALA H H 56 8.185 8.185 7.976 0.209 25102
148 1 2 . 1 1 2 2 PRO HA H 2 4.475 4.475 4.741 -0.266 25102
149 1 2 . 1 1 3 3 ARG N N 3 117.071 117.071 118.270 -1.199 25102
150 1 2 . 1 1 3 3 ARG HA H 3 4.625 4.625 5.160 -0.535 25102
151 1 2 . 1 1 3 3 ARG H H 3 8.107 8.107 8.448 -0.341 25102
152 1 2 . 1 1 4 4 MET N N 4 117.614 117.614 120.271 -2.657 25102
153 1 2 . 1 1 4 4 MET HA H 4 5.110 5.110 4.674 0.436 25102
154 1 2 . 1 1 4 4 MET H H 4 8.381 8.381 8.293 0.088 25102
155 1 2 . 1 1 5 5 GLN N N 5 122.654 122.654 117.725 4.929 25102
156 1 2 . 1 1 5 5 GLN HA H 5 5.037 5.037 5.155 -0.118 25102
157 1 2 . 1 1 5 5 GLN H H 5 9.675 9.675 8.276 1.399 25102
158 1 2 . 1 1 6 6 CYS N N 6 135.155 135.155 123.590 11.565 25102
159 1 2 . 1 1 6 6 CYS HA H 6 2.658 2.658 3.840 -1.182 25102
160 1 2 . 1 1 6 6 CYS H H 6 9.415 9.415 8.191 1.224 25102
161 1 2 . 1 1 7 7 SER N N 7 125.596 125.596 123.113 2.483 25102
162 1 2 . 1 1 7 7 SER HA H 7 4.167 4.167 4.576 -0.409 25102
163 1 2 . 1 1 7 7 SER H H 7 8.147 8.147 8.752 -0.605 25102
164 1 2 . 1 1 8 8 VAL N N 8 128.046 128.046 120.254 7.792 25102
165 1 2 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.180 -0.313 25102
166 1 2 . 1 1 8 8 VAL H H 8 9.074 9.074 7.888 1.186 25102
167 1 2 . 1 1 9 9 CYS N N 9 124.350 124.350 117.379 6.971 25102
168 1 2 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.878 -0.001 25102
169 1 2 . 1 1 9 9 CYS H H 9 9.443 9.443 7.946 1.497 25102
170 1 2 . 1 1 10 10 GLN N N 10 115.176 115.176 119.906 -4.730 25102
171 1 2 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.126 -0.134 25102
172 1 2 . 1 1 10 10 GLN H H 10 7.596 7.596 7.854 -0.258 25102
173 1 2 . 1 1 11 11 TRP N N 11 128.644 128.644 127.372 1.272 25102
174 1 2 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.904 -0.806 25102
175 1 2 . 1 1 11 11 TRP H H 11 9.200 9.200 8.135 1.065 25102
176 1 2 . 1 1 12 12 ILE N N 12 125.601 125.601 129.057 -3.456 25102
177 1 2 . 1 1 12 12 ILE HA H 12 4.314 4.314 4.780 -0.466 25102
178 1 2 . 1 1 12 12 ILE H H 12 6.788 6.788 7.851 -1.063 25102
179 1 2 . 1 1 13 13 TYR N N 13 126.171 126.171 129.757 -3.586 25102
180 1 2 . 1 1 13 13 TYR HA H 13 3.877 3.877 4.253 -0.376 25102
181 1 2 . 1 1 13 13 TYR H H 13 8.986 8.986 8.559 0.427 25102
182 1 2 . 1 1 14 14 ASP N N 14 129.316 129.316 128.451 0.865 25102
183 1 2 . 1 1 14 14 ASP HA H 14 4.835 4.835 4.939 -0.104 25102
184 1 2 . 1 1 14 14 ASP H H 14 8.569 8.569 8.181 0.388 25102
185 1 2 . 1 1 15 15 PRO HA H 15 3.972 3.972 4.174 -0.202 25102
186 1 2 . 1 1 16 16 ALA N N 16 117.037 117.037 117.867 -0.830 25102
187 1 2 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.248 -0.400 25102
188 1 2 . 1 1 16 16 ALA H H 16 7.923 7.923 8.449 -0.526 25102
189 1 2 . 1 1 17 17 LYS N N 17 115.236 115.236 115.474 -0.238 25102
190 1 2 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.519 -0.265 25102
191 1 2 . 1 1 17 17 LYS H H 17 7.635 7.635 8.041 -0.406 25102
192 1 2 . 1 1 18 18 GLY N N 18 105.765 105.765 110.564 -4.799 25102
193 1 2 . 1 1 18 18 GLY H H 18 7.865 7.865 8.246 -0.381 25102
194 1 2 . 1 1 19 19 GLU N N 19 122.724 122.724 120.064 2.660 25102
195 1 2 . 1 1 19 19 GLU HA H 19 5.079 5.079 4.955 0.124 25102
196 1 2 . 1 1 19 19 GLU H H 19 9.072 9.072 8.354 0.718 25102
197 1 2 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.293 -0.095 25102
198 1 2 . 1 1 21 21 MET N N 21 120.818 120.818 115.751 5.067 25102
199 1 2 . 1 1 21 21 MET HA H 21 4.259 4.259 4.582 -0.323 25102
200 1 2 . 1 1 21 21 MET H H 21 9.643 9.643 8.042 1.601 25102
201 1 2 . 1 1 22 22 GLN N N 22 118.335 118.335 119.395 -1.060 25102
202 1 2 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.531 -0.076 25102
203 1 2 . 1 1 22 22 GLN H H 22 7.656 7.656 8.351 -0.695 25102
204 1 2 . 1 1 23 23 ASP N N 23 115.262 115.262 116.084 -0.822 25102
205 1 2 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.447 -0.283 25102
206 1 2 . 1 1 23 23 ASP H H 23 7.757 7.757 8.001 -0.244 25102
207 1 2 . 1 1 24 24 VAL N N 24 119.478 119.478 119.038 0.440 25102
208 1 2 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.200 -0.037 25102
209 1 2 . 1 1 24 24 VAL H H 24 7.534 7.534 7.454 0.080 25102
210 1 2 . 1 1 25 25 ALA N N 25 132.445 132.445 128.836 3.609 25102
211 1 2 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.771 -0.371 25102
212 1 2 . 1 1 25 25 ALA H H 25 8.565 8.565 8.415 0.150 25102
213 1 2 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.088 -0.424 25102
214 1 2 . 1 1 27 27 GLY N N 27 106.448 106.448 108.543 -2.095 25102
215 1 2 . 1 1 27 27 GLY H H 27 8.200 8.200 8.746 -0.546 25102
216 1 2 . 1 1 28 28 THR N N 28 118.305 118.305 115.745 2.560 25102
217 1 2 . 1 1 28 28 THR HA H 28 4.355 4.355 4.662 -0.307 25102
218 1 2 . 1 1 28 28 THR H H 28 7.251 7.251 7.962 -0.711 25102
219 1 2 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.395 0.289 25102
220 1 2 . 1 1 30 30 TRP N N 30 123.786 123.786 125.633 -1.847 25102
221 1 2 . 1 1 30 30 TRP HA H 30 3.957 3.957 4.062 -0.105 25102
222 1 2 . 1 1 30 30 TRP H H 30 9.563 9.563 8.520 1.043 25102
223 1 2 . 1 1 31 31 SER N N 31 111.431 111.431 111.197 0.234 25102
224 1 2 . 1 1 31 31 SER HA H 31 3.859 3.859 4.030 -0.171 25102
225 1 2 . 1 1 31 31 SER H H 31 8.443 8.443 7.983 0.460 25102
226 1 2 . 1 1 32 32 GLU N N 32 119.555 119.555 119.666 -0.111 25102
227 1 2 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.120 0.049 25102
228 1 2 . 1 1 32 32 GLU H H 32 7.594 7.594 7.936 -0.342 25102
229 1 2 . 1 1 33 33 VAL N N 33 125.616 125.616 122.069 3.547 25102
230 1 2 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.760 -0.223 25102
231 1 2 . 1 1 33 33 VAL H H 33 7.063 7.063 7.461 -0.398 25102
232 1 2 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.252 -0.097 25102
233 1 2 . 1 1 35 35 ASP N N 35 118.884 118.884 123.739 -4.855 25102
234 1 2 . 1 1 35 35 ASP HA H 35 4.053 4.053 4.183 -0.130 25102
235 1 2 . 1 1 35 35 ASP H H 35 8.381 8.381 8.451 -0.070 25102
236 1 2 . 1 1 36 36 ASN N N 36 115.350 115.350 123.292 -7.942 25102
237 1 2 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.518 0.036 25102
238 1 2 . 1 1 36 36 ASN H H 36 7.864 7.864 8.145 -0.281 25102
239 1 2 . 1 1 37 37 PHE N N 37 122.004 122.004 123.366 -1.362 25102
240 1 2 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.150 -0.286 25102
241 1 2 . 1 1 37 37 PHE H H 37 7.397 7.397 7.597 -0.200 25102
242 1 2 . 1 1 38 38 LEU N N 38 127.420 127.420 127.416 0.004 25102
243 1 2 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.634 0.090 25102
244 1 2 . 1 1 38 38 LEU H H 38 7.907 7.907 7.738 0.169 25102
245 1 2 . 1 1 39 39 CYS N N 39 125.807 125.807 124.300 1.507 25102
246 1 2 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.389 -0.335 25102
247 1 2 . 1 1 39 39 CYS H H 39 9.568 9.568 8.795 0.773 25102
248 1 2 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.204 -0.325 25102
249 1 2 . 1 1 41 41 GLU N N 41 120.864 120.864 118.842 2.022 25102
250 1 2 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.232 0.092 25102
251 1 2 . 1 1 41 41 GLU H H 41 8.422 8.422 8.234 0.188 25102
252 1 2 . 1 1 42 42 CYS N N 42 121.478 121.478 117.137 4.341 25102
253 1 2 . 1 1 42 42 CYS HA H 42 4.774 4.774 4.878 -0.104 25102
254 1 2 . 1 1 42 42 CYS H H 42 8.562 8.562 7.938 0.624 25102
255 1 2 . 1 1 43 43 SER N N 43 114.585 114.585 115.880 -1.295 25102
256 1 2 . 1 1 43 43 SER HA H 43 4.048 4.048 4.361 -0.313 25102
257 1 2 . 1 1 43 43 SER H H 43 7.905 7.905 8.253 -0.348 25102
258 1 2 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.719 -0.092 25102
259 1 2 . 1 1 44 44 LEU H H 44 7.920 7.920 8.227 -0.307 25102
260 1 2 . 1 1 45 45 GLY N N 45 103.239 103.239 108.775 -5.536 25102
261 1 2 . 1 1 45 45 GLY H H 45 8.158 8.158 8.932 -0.774 25102
262 1 2 . 1 1 46 46 LYS N N 46 113.276 113.276 115.307 -2.031 25102
263 1 2 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.130 -0.016 25102
264 1 2 . 1 1 46 46 LYS H H 46 8.269 8.269 8.312 -0.043 25102
265 1 2 . 1 1 47 47 ASP N N 47 115.186 115.186 117.223 -2.037 25102
266 1 2 . 1 1 47 47 ASP HA H 47 4.493 4.493 4.614 -0.121 25102
267 1 2 . 1 1 47 47 ASP H H 47 8.910 8.910 8.281 0.629 25102
268 1 2 . 1 1 48 48 VAL N N 48 110.836 110.836 119.255 -8.419 25102
269 1 2 . 1 1 48 48 VAL HA H 48 4.607 4.607 3.908 0.699 25102
270 1 2 . 1 1 48 48 VAL H H 48 7.756 7.756 7.875 -0.119 25102
271 1 2 . 1 1 49 49 PHE N N 49 124.366 124.366 117.931 6.435 25102
272 1 2 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.109 0.760 25102
273 1 2 . 1 1 49 49 PHE H H 49 8.064 8.064 8.426 -0.362 25102
274 1 2 . 1 1 50 50 GLU N N 50 120.147 120.147 123.602 -3.455 25102
275 1 2 . 1 1 50 50 GLU HA H 50 4.619 4.619 4.469 0.150 25102
276 1 2 . 1 1 50 50 GLU H H 50 8.729 8.729 8.121 0.608 25102
277 1 2 . 1 1 51 51 GLU N N 51 123.941 123.941 116.273 7.668 25102
278 1 2 . 1 1 51 51 GLU HA H 51 4.753 4.753 3.989 0.764 25102
279 1 2 . 1 1 51 51 GLU H H 51 8.739 8.739 8.487 0.252 25102
280 1 2 . 1 1 52 52 LEU N N 52 126.863 126.863 114.807 12.056 25102
281 1 2 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.738 -0.426 25102
282 1 2 . 1 1 52 52 LEU H H 52 8.207 8.207 8.336 -0.129 25102
283 1 2 . 1 1 53 53 ALA N N 53 128.679 128.679 118.948 9.731 25102
284 1 2 . 1 1 53 53 ALA HA H 53 4.259 4.259 5.036 -0.777 25102
285 1 2 . 1 1 53 53 ALA H H 53 8.494 8.494 7.853 0.641 25102
286 1 2 . 1 1 54 54 SER N N 54 113.369 113.369 113.864 -0.495 25102
287 1 2 . 1 1 54 54 SER HA H 54 4.706 4.706 4.097 0.609 25102
288 1 2 . 1 1 54 54 SER H H 54 8.893 8.893 8.905 -0.012 25102
289 1 2 . 1 1 55 55 GLU N N 55 115.612 115.612 119.891 -4.279 25102
290 1 2 . 1 1 55 55 GLU HA H 55 3.776 3.776 4.553 -0.777 25102
291 1 2 . 1 1 55 55 GLU H H 55 8.296 8.296 7.928 0.368 25102
292 1 2 . 1 1 56 56 ALA N N 56 125.675 125.675 123.430 2.245 25102
293 1 2 . 1 1 56 56 ALA HA H 56 4.223 4.223 4.475 -0.252 25102
294 1 2 . 1 1 56 56 ALA H H 56 8.185 8.185 8.415 -0.230 25102
295 1 3 . 1 1 2 2 PRO HA H 2 4.475 4.475 4.754 -0.279 25102
296 1 3 . 1 1 3 3 ARG N N 3 117.071 117.071 120.820 -3.749 25102
297 1 3 . 1 1 3 3 ARG HA H 3 4.625 4.625 5.168 -0.543 25102
298 1 3 . 1 1 3 3 ARG H H 3 8.107 8.107 8.367 -0.260 25102
299 1 3 . 1 1 4 4 MET N N 4 117.614 117.614 120.956 -3.342 25102
300 1 3 . 1 1 4 4 MET HA H 4 5.110 5.110 4.735 0.375 25102
301 1 3 . 1 1 4 4 MET H H 4 8.381 8.381 8.165 0.216 25102
302 1 3 . 1 1 5 5 GLN N N 5 122.654 122.654 118.658 3.996 25102
303 1 3 . 1 1 5 5 GLN HA H 5 5.037 5.037 4.899 0.138 25102
304 1 3 . 1 1 5 5 GLN H H 5 9.675 9.675 8.404 1.271 25102
305 1 3 . 1 1 6 6 CYS N N 6 135.155 135.155 124.045 11.110 25102
306 1 3 . 1 1 6 6 CYS HA H 6 2.658 2.658 3.992 -1.334 25102
307 1 3 . 1 1 6 6 CYS H H 6 9.415 9.415 8.118 1.297 25102
308 1 3 . 1 1 7 7 SER N N 7 125.596 125.596 122.625 2.971 25102
309 1 3 . 1 1 7 7 SER HA H 7 4.167 4.167 4.479 -0.312 25102
310 1 3 . 1 1 7 7 SER H H 7 8.147 8.147 8.585 -0.438 25102
311 1 3 . 1 1 8 8 VAL N N 8 128.046 128.046 122.297 5.749 25102
312 1 3 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.194 -0.327 25102
313 1 3 . 1 1 8 8 VAL H H 8 9.074 9.074 7.778 1.296 25102
314 1 3 . 1 1 9 9 CYS N N 9 124.350 124.350 117.994 6.356 25102
315 1 3 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.612 0.265 25102
316 1 3 . 1 1 9 9 CYS H H 9 9.443 9.443 7.878 1.565 25102
317 1 3 . 1 1 10 10 GLN N N 10 115.176 115.176 120.554 -5.378 25102
318 1 3 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.214 -0.222 25102
319 1 3 . 1 1 10 10 GLN H H 10 7.596 7.596 8.155 -0.559 25102
320 1 3 . 1 1 11 11 TRP N N 11 128.644 128.644 121.097 7.547 25102
321 1 3 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.871 -0.773 25102
322 1 3 . 1 1 11 11 TRP H H 11 9.200 9.200 8.182 1.018 25102
323 1 3 . 1 1 12 12 ILE N N 12 125.601 125.601 129.515 -3.914 25102
324 1 3 . 1 1 12 12 ILE HA H 12 4.314 4.314 4.461 -0.147 25102
325 1 3 . 1 1 12 12 ILE H H 12 6.788 6.788 8.383 -1.595 25102
326 1 3 . 1 1 13 13 TYR N N 13 126.171 126.171 130.360 -4.189 25102
327 1 3 . 1 1 13 13 TYR HA H 13 3.877 3.877 4.003 -0.126 25102
328 1 3 . 1 1 13 13 TYR H H 13 8.986 8.986 8.864 0.122 25102
329 1 3 . 1 1 14 14 ASP N N 14 129.316 129.316 128.901 0.415 25102
330 1 3 . 1 1 14 14 ASP HA H 14 4.835 4.835 4.841 -0.006 25102
331 1 3 . 1 1 14 14 ASP H H 14 8.569 8.569 7.893 0.676 25102
332 1 3 . 1 1 15 15 PRO HA H 15 3.972 3.972 4.119 -0.147 25102
333 1 3 . 1 1 16 16 ALA N N 16 117.037 117.037 117.520 -0.483 25102
334 1 3 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.196 -0.348 25102
335 1 3 . 1 1 16 16 ALA H H 16 7.923 7.923 8.632 -0.709 25102
336 1 3 . 1 1 17 17 LYS N N 17 115.236 115.236 115.611 -0.375 25102
337 1 3 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.598 -0.344 25102
338 1 3 . 1 1 17 17 LYS H H 17 7.635 7.635 8.123 -0.488 25102
339 1 3 . 1 1 18 18 GLY N N 18 105.765 105.765 110.699 -4.934 25102
340 1 3 . 1 1 18 18 GLY H H 18 7.865 7.865 8.251 -0.386 25102
341 1 3 . 1 1 19 19 GLU N N 19 122.724 122.724 120.702 2.022 25102
342 1 3 . 1 1 19 19 GLU HA H 19 5.079 5.079 4.881 0.198 25102
343 1 3 . 1 1 19 19 GLU H H 19 9.072 9.072 8.292 0.780 25102
344 1 3 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.536 -0.338 25102
345 1 3 . 1 1 21 21 MET N N 21 120.818 120.818 116.503 4.315 25102
346 1 3 . 1 1 21 21 MET HA H 21 4.259 4.259 4.666 -0.407 25102
347 1 3 . 1 1 21 21 MET H H 21 9.643 9.643 7.949 1.694 25102
348 1 3 . 1 1 22 22 GLN N N 22 118.335 118.335 120.012 -1.677 25102
349 1 3 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.513 -0.059 25102
350 1 3 . 1 1 22 22 GLN H H 22 7.656 7.656 7.842 -0.186 25102
351 1 3 . 1 1 23 23 ASP N N 23 115.262 115.262 115.539 -0.277 25102
352 1 3 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.462 -0.298 25102
353 1 3 . 1 1 23 23 ASP H H 23 7.757 7.757 8.548 -0.791 25102
354 1 3 . 1 1 24 24 VAL N N 24 119.478 119.478 118.525 0.953 25102
355 1 3 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.226 -0.063 25102
356 1 3 . 1 1 24 24 VAL H H 24 7.534 7.534 7.415 0.119 25102
357 1 3 . 1 1 25 25 ALA N N 25 132.445 132.445 129.224 3.221 25102
358 1 3 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.650 -0.250 25102
359 1 3 . 1 1 25 25 ALA H H 25 8.565 8.565 8.307 0.258 25102
360 1 3 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.403 -0.739 25102
361 1 3 . 1 1 27 27 GLY N N 27 106.448 106.448 110.780 -4.332 25102
362 1 3 . 1 1 27 27 GLY H H 27 8.200 8.200 8.794 -0.594 25102
363 1 3 . 1 1 28 28 THR N N 28 118.305 118.305 115.259 3.046 25102
364 1 3 . 1 1 28 28 THR HA H 28 4.355 4.355 4.677 -0.322 25102
365 1 3 . 1 1 28 28 THR H H 28 7.251 7.251 7.994 -0.743 25102
366 1 3 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.670 0.014 25102
367 1 3 . 1 1 30 30 TRP N N 30 123.786 123.786 126.528 -2.742 25102
368 1 3 . 1 1 30 30 TRP HA H 30 3.957 3.957 4.098 -0.141 25102
369 1 3 . 1 1 30 30 TRP H H 30 9.563 9.563 8.782 0.781 25102
370 1 3 . 1 1 31 31 SER N N 31 111.431 111.431 113.279 -1.848 25102
371 1 3 . 1 1 31 31 SER HA H 31 3.859 3.859 4.080 -0.221 25102
372 1 3 . 1 1 31 31 SER H H 31 8.443 8.443 8.005 0.438 25102
373 1 3 . 1 1 32 32 GLU N N 32 119.555 119.555 122.243 -2.688 25102
374 1 3 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.139 0.030 25102
375 1 3 . 1 1 32 32 GLU H H 32 7.594 7.594 7.681 -0.087 25102
376 1 3 . 1 1 33 33 VAL N N 33 125.616 125.616 121.961 3.655 25102
377 1 3 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.635 -0.098 25102
378 1 3 . 1 1 33 33 VAL H H 33 7.063 7.063 7.642 -0.579 25102
379 1 3 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.283 -0.128 25102
380 1 3 . 1 1 35 35 ASP N N 35 118.884 118.884 115.228 3.656 25102
381 1 3 . 1 1 35 35 ASP HA H 35 4.053 4.053 4.571 -0.518 25102
382 1 3 . 1 1 35 35 ASP H H 35 8.381 8.381 8.234 0.147 25102
383 1 3 . 1 1 36 36 ASN N N 36 115.350 115.350 118.087 -2.737 25102
384 1 3 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.745 -0.191 25102
385 1 3 . 1 1 36 36 ASN H H 36 7.864 7.864 8.035 -0.171 25102
386 1 3 . 1 1 37 37 PHE N N 37 122.004 122.004 120.451 1.553 25102
387 1 3 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.844 -0.980 25102
388 1 3 . 1 1 37 37 PHE H H 37 7.397 7.397 7.851 -0.454 25102
389 1 3 . 1 1 38 38 LEU N N 38 127.420 127.420 125.429 1.991 25102
390 1 3 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.915 -0.191 25102
391 1 3 . 1 1 38 38 LEU H H 38 7.907 7.907 7.516 0.391 25102
392 1 3 . 1 1 39 39 CYS N N 39 125.807 125.807 123.021 2.786 25102
393 1 3 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.315 -0.261 25102
394 1 3 . 1 1 39 39 CYS H H 39 9.568 9.568 8.400 1.168 25102
395 1 3 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.249 -0.370 25102
396 1 3 . 1 1 41 41 GLU N N 41 120.864 120.864 116.368 4.496 25102
397 1 3 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.389 -0.065 25102
398 1 3 . 1 1 41 41 GLU H H 41 8.422 8.422 8.317 0.105 25102
399 1 3 . 1 1 42 42 CYS N N 42 121.478 121.478 116.913 4.565 25102
400 1 3 . 1 1 42 42 CYS HA H 42 4.774 4.774 4.586 0.188 25102
401 1 3 . 1 1 42 42 CYS H H 42 8.562 8.562 7.511 1.051 25102
402 1 3 . 1 1 43 43 SER N N 43 114.585 114.585 116.945 -2.360 25102
403 1 3 . 1 1 43 43 SER HA H 43 4.048 4.048 4.162 -0.114 25102
404 1 3 . 1 1 43 43 SER H H 43 7.905 7.905 8.071 -0.166 25102
405 1 3 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.627 0.000 25102
406 1 3 . 1 1 44 44 LEU H H 44 7.920 7.920 8.038 -0.118 25102
407 1 3 . 1 1 45 45 GLY N N 45 103.239 103.239 112.340 -9.101 25102
408 1 3 . 1 1 45 45 GLY H H 45 8.158 8.158 8.633 -0.475 25102
409 1 3 . 1 1 46 46 LYS N N 46 113.276 113.276 117.187 -3.911 25102
410 1 3 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.713 -0.599 25102
411 1 3 . 1 1 46 46 LYS H H 46 8.269 8.269 8.445 -0.176 25102
412 1 3 . 1 1 47 47 ASP N N 47 115.186 115.186 119.627 -4.441 25102
413 1 3 . 1 1 47 47 ASP HA H 47 4.493 4.493 4.875 -0.382 25102
414 1 3 . 1 1 47 47 ASP H H 47 8.910 8.910 8.355 0.555 25102
415 1 3 . 1 1 48 48 VAL N N 48 110.836 110.836 116.866 -6.030 25102
416 1 3 . 1 1 48 48 VAL HA H 48 4.607 4.607 4.147 0.460 25102
417 1 3 . 1 1 48 48 VAL H H 48 7.756 7.756 7.752 0.004 25102
418 1 3 . 1 1 49 49 PHE N N 49 124.366 124.366 122.292 2.074 25102
419 1 3 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.081 0.788 25102
420 1 3 . 1 1 49 49 PHE H H 49 8.064 8.064 8.664 -0.600 25102
421 1 3 . 1 1 50 50 GLU N N 50 120.147 120.147 123.382 -3.235 25102
422 1 3 . 1 1 50 50 GLU HA H 50 4.619 4.619 4.462 0.157 25102
423 1 3 . 1 1 50 50 GLU H H 50 8.729 8.729 8.110 0.619 25102
424 1 3 . 1 1 51 51 GLU N N 51 123.941 123.941 116.275 7.666 25102
425 1 3 . 1 1 51 51 GLU HA H 51 4.753 4.753 4.004 0.749 25102
426 1 3 . 1 1 51 51 GLU H H 51 8.739 8.739 8.478 0.261 25102
427 1 3 . 1 1 52 52 LEU N N 52 126.863 126.863 115.392 11.471 25102
428 1 3 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.742 -0.430 25102
429 1 3 . 1 1 52 52 LEU H H 52 8.207 8.207 8.268 -0.061 25102
430 1 3 . 1 1 53 53 ALA N N 53 128.679 128.679 120.259 8.420 25102
431 1 3 . 1 1 53 53 ALA HA H 53 4.259 4.259 5.198 -0.939 25102
432 1 3 . 1 1 53 53 ALA H H 53 8.494 8.494 8.033 0.461 25102
433 1 3 . 1 1 54 54 SER N N 54 113.369 113.369 113.504 -0.135 25102
434 1 3 . 1 1 54 54 SER HA H 54 4.706 4.706 4.269 0.437 25102
435 1 3 . 1 1 54 54 SER H H 54 8.893 8.893 8.637 0.256 25102
436 1 3 . 1 1 55 55 GLU N N 55 115.612 115.612 123.289 -7.677 25102
437 1 3 . 1 1 55 55 GLU HA H 55 3.776 3.776 4.229 -0.453 25102
438 1 3 . 1 1 55 55 GLU H H 55 8.296 8.296 8.416 -0.120 25102
439 1 3 . 1 1 56 56 ALA N N 56 125.675 125.675 123.411 2.264 25102
440 1 3 . 1 1 56 56 ALA HA H 56 4.223 4.223 4.470 -0.247 25102
441 1 3 . 1 1 56 56 ALA H H 56 8.185 8.185 8.155 0.030 25102
442 1 4 . 1 1 2 2 PRO HA H 2 4.475 4.475 4.759 -0.284 25102
443 1 4 . 1 1 3 3 ARG N N 3 117.071 117.071 117.891 -0.820 25102
444 1 4 . 1 1 3 3 ARG HA H 3 4.625 4.625 5.241 -0.616 25102
445 1 4 . 1 1 3 3 ARG H H 3 8.107 8.107 8.230 -0.123 25102
446 1 4 . 1 1 4 4 MET N N 4 117.614 117.614 118.450 -0.836 25102
447 1 4 . 1 1 4 4 MET HA H 4 5.110 5.110 4.691 0.419 25102
448 1 4 . 1 1 4 4 MET H H 4 8.381 8.381 8.187 0.194 25102
449 1 4 . 1 1 5 5 GLN N N 5 122.654 122.654 117.375 5.279 25102
450 1 4 . 1 1 5 5 GLN HA H 5 5.037 5.037 4.689 0.348 25102
451 1 4 . 1 1 5 5 GLN H H 5 9.675 9.675 7.976 1.699 25102
452 1 4 . 1 1 6 6 CYS N N 6 135.155 135.155 124.381 10.774 25102
453 1 4 . 1 1 6 6 CYS HA H 6 2.658 2.658 4.029 -1.371 25102
454 1 4 . 1 1 6 6 CYS H H 6 9.415 9.415 8.107 1.308 25102
455 1 4 . 1 1 7 7 SER N N 7 125.596 125.596 125.808 -0.212 25102
456 1 4 . 1 1 7 7 SER HA H 7 4.167 4.167 4.454 -0.287 25102
457 1 4 . 1 1 7 7 SER H H 7 8.147 8.147 8.793 -0.646 25102
458 1 4 . 1 1 8 8 VAL N N 8 128.046 128.046 120.434 7.612 25102
459 1 4 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.117 -0.250 25102
460 1 4 . 1 1 8 8 VAL H H 8 9.074 9.074 8.207 0.867 25102
461 1 4 . 1 1 9 9 CYS N N 9 124.350 124.350 118.053 6.297 25102
462 1 4 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.612 0.265 25102
463 1 4 . 1 1 9 9 CYS H H 9 9.443 9.443 8.113 1.330 25102
464 1 4 . 1 1 10 10 GLN N N 10 115.176 115.176 118.619 -3.443 25102
465 1 4 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.113 -0.121 25102
466 1 4 . 1 1 10 10 GLN H H 10 7.596 7.596 8.205 -0.609 25102
467 1 4 . 1 1 11 11 TRP N N 11 128.644 128.644 120.995 7.649 25102
468 1 4 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.865 -0.767 25102
469 1 4 . 1 1 11 11 TRP H H 11 9.200 9.200 8.191 1.009 25102
470 1 4 . 1 1 12 12 ILE N N 12 125.601 125.601 129.777 -4.176 25102
471 1 4 . 1 1 12 12 ILE HA H 12 4.314 4.314 4.363 -0.049 25102
472 1 4 . 1 1 12 12 ILE H H 12 6.788 6.788 8.342 -1.554 25102
473 1 4 . 1 1 13 13 TYR N N 13 126.171 126.171 130.338 -4.167 25102
474 1 4 . 1 1 13 13 TYR HA H 13 3.877 3.877 4.297 -0.420 25102
475 1 4 . 1 1 13 13 TYR H H 13 8.986 8.986 8.377 0.609 25102
476 1 4 . 1 1 14 14 ASP N N 14 129.316 129.316 127.615 1.701 25102
477 1 4 . 1 1 14 14 ASP HA H 14 4.835 4.835 4.978 -0.143 25102
478 1 4 . 1 1 14 14 ASP H H 14 8.569 8.569 7.532 1.037 25102
479 1 4 . 1 1 15 15 PRO HA H 15 3.972 3.972 4.095 -0.123 25102
480 1 4 . 1 1 16 16 ALA N N 16 117.037 117.037 117.298 -0.261 25102
481 1 4 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.214 -0.366 25102
482 1 4 . 1 1 16 16 ALA H H 16 7.923 7.923 8.390 -0.467 25102
483 1 4 . 1 1 17 17 LYS N N 17 115.236 115.236 114.880 0.356 25102
484 1 4 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.571 -0.317 25102
485 1 4 . 1 1 17 17 LYS H H 17 7.635 7.635 8.227 -0.592 25102
486 1 4 . 1 1 18 18 GLY N N 18 105.765 105.765 110.837 -5.072 25102
487 1 4 . 1 1 18 18 GLY H H 18 7.865 7.865 8.043 -0.178 25102
488 1 4 . 1 1 19 19 GLU N N 19 122.724 122.724 121.373 1.351 25102
489 1 4 . 1 1 19 19 GLU HA H 19 5.079 5.079 5.028 0.051 25102
490 1 4 . 1 1 19 19 GLU H H 19 9.072 9.072 8.377 0.695 25102
491 1 4 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.424 -0.226 25102
492 1 4 . 1 1 21 21 MET N N 21 120.818 120.818 116.037 4.781 25102
493 1 4 . 1 1 21 21 MET HA H 21 4.259 4.259 4.697 -0.438 25102
494 1 4 . 1 1 21 21 MET H H 21 9.643 9.643 7.814 1.829 25102
495 1 4 . 1 1 22 22 GLN N N 22 118.335 118.335 119.475 -1.140 25102
496 1 4 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.460 -0.005 25102
497 1 4 . 1 1 22 22 GLN H H 22 7.656 7.656 7.926 -0.270 25102
498 1 4 . 1 1 23 23 ASP N N 23 115.262 115.262 117.460 -2.198 25102
499 1 4 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.545 -0.381 25102
500 1 4 . 1 1 23 23 ASP H H 23 7.757 7.757 8.493 -0.736 25102
501 1 4 . 1 1 24 24 VAL N N 24 119.478 119.478 117.825 1.653 25102
502 1 4 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.415 -0.252 25102
503 1 4 . 1 1 24 24 VAL H H 24 7.534 7.534 7.662 -0.128 25102
504 1 4 . 1 1 25 25 ALA N N 25 132.445 132.445 129.111 3.334 25102
505 1 4 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.694 -0.294 25102
506 1 4 . 1 1 25 25 ALA H H 25 8.565 8.565 8.343 0.222 25102
507 1 4 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.219 -0.555 25102
508 1 4 . 1 1 27 27 GLY N N 27 106.448 106.448 107.102 -0.654 25102
509 1 4 . 1 1 27 27 GLY H H 27 8.200 8.200 8.697 -0.497 25102
510 1 4 . 1 1 28 28 THR N N 28 118.305 118.305 115.422 2.883 25102
511 1 4 . 1 1 28 28 THR HA H 28 4.355 4.355 4.623 -0.268 25102
512 1 4 . 1 1 28 28 THR H H 28 7.251 7.251 7.832 -0.581 25102
513 1 4 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.411 0.273 25102
514 1 4 . 1 1 30 30 TRP N N 30 123.786 123.786 127.177 -3.391 25102
515 1 4 . 1 1 30 30 TRP HA H 30 3.957 3.957 4.010 -0.053 25102
516 1 4 . 1 1 30 30 TRP H H 30 9.563 9.563 8.824 0.739 25102
517 1 4 . 1 1 31 31 SER N N 31 111.431 111.431 112.016 -0.585 25102
518 1 4 . 1 1 31 31 SER HA H 31 3.859 3.859 3.915 -0.056 25102
519 1 4 . 1 1 31 31 SER H H 31 8.443 8.443 7.982 0.461 25102
520 1 4 . 1 1 32 32 GLU N N 32 119.555 119.555 119.547 0.008 25102
521 1 4 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.135 0.034 25102
522 1 4 . 1 1 32 32 GLU H H 32 7.594 7.594 7.801 -0.207 25102
523 1 4 . 1 1 33 33 VAL N N 33 125.616 125.616 122.227 3.389 25102
524 1 4 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.746 -0.209 25102
525 1 4 . 1 1 33 33 VAL H H 33 7.063 7.063 7.773 -0.710 25102
526 1 4 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.276 -0.121 25102
527 1 4 . 1 1 35 35 ASP N N 35 118.884 118.884 125.414 -6.530 25102
528 1 4 . 1 1 35 35 ASP HA H 35 4.053 4.053 4.305 -0.252 25102
529 1 4 . 1 1 35 35 ASP H H 35 8.381 8.381 8.518 -0.137 25102
530 1 4 . 1 1 36 36 ASN N N 36 115.350 115.350 120.469 -5.119 25102
531 1 4 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.586 -0.032 25102
532 1 4 . 1 1 36 36 ASN H H 36 7.864 7.864 8.174 -0.310 25102
533 1 4 . 1 1 37 37 PHE N N 37 122.004 122.004 122.829 -0.825 25102
534 1 4 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.156 -0.292 25102
535 1 4 . 1 1 37 37 PHE H H 37 7.397 7.397 7.638 -0.241 25102
536 1 4 . 1 1 38 38 LEU N N 38 127.420 127.420 125.490 1.930 25102
537 1 4 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.638 0.086 25102
538 1 4 . 1 1 38 38 LEU H H 38 7.907 7.907 7.453 0.454 25102
539 1 4 . 1 1 39 39 CYS N N 39 125.807 125.807 119.003 6.804 25102
540 1 4 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.430 -0.376 25102
541 1 4 . 1 1 39 39 CYS H H 39 9.568 9.568 8.638 0.930 25102
542 1 4 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.251 -0.372 25102
543 1 4 . 1 1 41 41 GLU N N 41 120.864 120.864 120.963 -0.099 25102
544 1 4 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.261 0.063 25102
545 1 4 . 1 1 41 41 GLU H H 41 8.422 8.422 8.602 -0.180 25102
546 1 4 . 1 1 42 42 CYS N N 42 121.478 121.478 118.926 2.552 25102
547 1 4 . 1 1 42 42 CYS HA H 42 4.774 4.774 4.883 -0.109 25102
548 1 4 . 1 1 42 42 CYS H H 42 8.562 8.562 8.090 0.472 25102
549 1 4 . 1 1 43 43 SER N N 43 114.585 114.585 115.015 -0.430 25102
550 1 4 . 1 1 43 43 SER HA H 43 4.048 4.048 4.350 -0.302 25102
551 1 4 . 1 1 43 43 SER H H 43 7.905 7.905 8.036 -0.131 25102
552 1 4 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.742 -0.115 25102
553 1 4 . 1 1 44 44 LEU H H 44 7.920 7.920 8.192 -0.272 25102
554 1 4 . 1 1 45 45 GLY N N 45 103.239 103.239 109.390 -6.151 25102
555 1 4 . 1 1 45 45 GLY H H 45 8.158 8.158 8.757 -0.599 25102
556 1 4 . 1 1 46 46 LYS N N 46 113.276 113.276 117.036 -3.760 25102
557 1 4 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.231 -0.117 25102
558 1 4 . 1 1 46 46 LYS H H 46 8.269 8.269 8.400 -0.131 25102
559 1 4 . 1 1 47 47 ASP N N 47 115.186 115.186 116.659 -1.473 25102
560 1 4 . 1 1 47 47 ASP HA H 47 4.493 4.493 5.036 -0.543 25102
561 1 4 . 1 1 47 47 ASP H H 47 8.910 8.910 8.234 0.676 25102
562 1 4 . 1 1 48 48 VAL N N 48 110.836 110.836 117.758 -6.922 25102
563 1 4 . 1 1 48 48 VAL HA H 48 4.607 4.607 4.126 0.481 25102
564 1 4 . 1 1 48 48 VAL H H 48 7.756 7.756 7.964 -0.208 25102
565 1 4 . 1 1 49 49 PHE N N 49 124.366 124.366 120.034 4.332 25102
566 1 4 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.027 0.842 25102
567 1 4 . 1 1 49 49 PHE H H 49 8.064 8.064 8.294 -0.230 25102
568 1 4 . 1 1 50 50 GLU N N 50 120.147 120.147 123.234 -3.087 25102
569 1 4 . 1 1 50 50 GLU HA H 50 4.619 4.619 3.932 0.687 25102
570 1 4 . 1 1 50 50 GLU H H 50 8.729 8.729 8.459 0.270 25102
571 1 4 . 1 1 51 51 GLU N N 51 123.941 123.941 116.188 7.753 25102
572 1 4 . 1 1 51 51 GLU HA H 51 4.753 4.753 3.750 1.003 25102
573 1 4 . 1 1 51 51 GLU H H 51 8.739 8.739 8.169 0.570 25102
574 1 4 . 1 1 52 52 LEU N N 52 126.863 126.863 121.253 5.610 25102
575 1 4 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.514 -0.202 25102
576 1 4 . 1 1 52 52 LEU H H 52 8.207 8.207 7.957 0.250 25102
577 1 4 . 1 1 53 53 ALA N N 53 128.679 128.679 123.349 5.330 25102
578 1 4 . 1 1 53 53 ALA HA H 53 4.259 4.259 4.958 -0.699 25102
579 1 4 . 1 1 53 53 ALA H H 53 8.494 8.494 7.971 0.523 25102
580 1 4 . 1 1 54 54 SER N N 54 113.369 113.369 115.132 -1.763 25102
581 1 4 . 1 1 54 54 SER HA H 54 4.706 4.706 4.235 0.471 25102
582 1 4 . 1 1 54 54 SER H H 54 8.893 8.893 8.695 0.198 25102
583 1 4 . 1 1 55 55 GLU N N 55 115.612 115.612 122.488 -6.876 25102
584 1 4 . 1 1 55 55 GLU HA H 55 3.776 3.776 4.193 -0.417 25102
585 1 4 . 1 1 55 55 GLU H H 55 8.296 8.296 8.279 0.017 25102
586 1 4 . 1 1 56 56 ALA N N 56 125.675 125.675 127.435 -1.760 25102
587 1 4 . 1 1 56 56 ALA HA H 56 4.223 4.223 4.126 0.097 25102
588 1 4 . 1 1 56 56 ALA H H 56 8.185 8.185 8.576 -0.391 25102
589 1 5 . 1 1 2 2 PRO HA H 2 4.475 4.475 4.668 -0.193 25102
590 1 5 . 1 1 3 3 ARG N N 3 117.071 117.071 117.512 -0.441 25102
591 1 5 . 1 1 3 3 ARG HA H 3 4.625 4.625 5.227 -0.602 25102
592 1 5 . 1 1 3 3 ARG H H 3 8.107 8.107 8.319 -0.212 25102
593 1 5 . 1 1 4 4 MET N N 4 117.614 117.614 120.018 -2.404 25102
594 1 5 . 1 1 4 4 MET HA H 4 5.110 5.110 4.792 0.318 25102
595 1 5 . 1 1 4 4 MET H H 4 8.381 8.381 8.316 0.065 25102
596 1 5 . 1 1 5 5 GLN N N 5 122.654 122.654 117.754 4.900 25102
597 1 5 . 1 1 5 5 GLN HA H 5 5.037 5.037 5.456 -0.419 25102
598 1 5 . 1 1 5 5 GLN H H 5 9.675 9.675 8.280 1.395 25102
599 1 5 . 1 1 6 6 CYS N N 6 135.155 135.155 118.209 16.946 25102
600 1 5 . 1 1 6 6 CYS HA H 6 2.658 2.658 4.191 -1.533 25102
601 1 5 . 1 1 6 6 CYS H H 6 9.415 9.415 8.604 0.811 25102
602 1 5 . 1 1 7 7 SER N N 7 125.596 125.596 118.374 7.222 25102
603 1 5 . 1 1 7 7 SER HA H 7 4.167 4.167 4.506 -0.339 25102
604 1 5 . 1 1 7 7 SER H H 7 8.147 8.147 8.520 -0.373 25102
605 1 5 . 1 1 8 8 VAL N N 8 128.046 128.046 121.460 6.586 25102
606 1 5 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.187 -0.320 25102
607 1 5 . 1 1 8 8 VAL H H 8 9.074 9.074 8.012 1.062 25102
608 1 5 . 1 1 9 9 CYS N N 9 124.350 124.350 118.811 5.539 25102
609 1 5 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.603 0.274 25102
610 1 5 . 1 1 9 9 CYS H H 9 9.443 9.443 8.322 1.121 25102
611 1 5 . 1 1 10 10 GLN N N 10 115.176 115.176 119.632 -4.456 25102
612 1 5 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.117 -0.125 25102
613 1 5 . 1 1 10 10 GLN H H 10 7.596 7.596 8.367 -0.771 25102
614 1 5 . 1 1 11 11 TRP N N 11 128.644 128.644 121.934 6.710 25102
615 1 5 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.878 -0.780 25102
616 1 5 . 1 1 11 11 TRP H H 11 9.200 9.200 7.734 1.466 25102
617 1 5 . 1 1 12 12 ILE N N 12 125.601 125.601 130.252 -4.651 25102
618 1 5 . 1 1 12 12 ILE HA H 12 4.314 4.314 4.361 -0.047 25102
619 1 5 . 1 1 12 12 ILE H H 12 6.788 6.788 8.558 -1.770 25102
620 1 5 . 1 1 13 13 TYR N N 13 126.171 126.171 130.697 -4.526 25102
621 1 5 . 1 1 13 13 TYR HA H 13 3.877 3.877 3.743 0.134 25102
622 1 5 . 1 1 13 13 TYR H H 13 8.986 8.986 9.109 -0.123 25102
623 1 5 . 1 1 14 14 ASP N N 14 129.316 129.316 127.083 2.233 25102
624 1 5 . 1 1 14 14 ASP HA H 14 4.835 4.835 4.885 -0.050 25102
625 1 5 . 1 1 14 14 ASP H H 14 8.569 8.569 7.565 1.004 25102
626 1 5 . 1 1 15 15 PRO HA H 15 3.972 3.972 3.962 0.010 25102
627 1 5 . 1 1 16 16 ALA N N 16 117.037 117.037 117.526 -0.489 25102
628 1 5 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.154 -0.306 25102
629 1 5 . 1 1 16 16 ALA H H 16 7.923 7.923 8.344 -0.421 25102
630 1 5 . 1 1 17 17 LYS N N 17 115.236 115.236 114.647 0.589 25102
631 1 5 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.558 -0.304 25102
632 1 5 . 1 1 17 17 LYS H H 17 7.635 7.635 8.122 -0.487 25102
633 1 5 . 1 1 18 18 GLY N N 18 105.765 105.765 110.755 -4.990 25102
634 1 5 . 1 1 18 18 GLY H H 18 7.865 7.865 8.478 -0.613 25102
635 1 5 . 1 1 19 19 GLU N N 19 122.724 122.724 121.215 1.509 25102
636 1 5 . 1 1 19 19 GLU HA H 19 5.079 5.079 4.987 0.092 25102
637 1 5 . 1 1 19 19 GLU H H 19 9.072 9.072 8.171 0.901 25102
638 1 5 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.523 -0.325 25102
639 1 5 . 1 1 21 21 MET N N 21 120.818 120.818 116.339 4.479 25102
640 1 5 . 1 1 21 21 MET HA H 21 4.259 4.259 4.705 -0.446 25102
641 1 5 . 1 1 21 21 MET H H 21 9.643 9.643 7.625 2.018 25102
642 1 5 . 1 1 22 22 GLN N N 22 118.335 118.335 120.488 -2.153 25102
643 1 5 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.553 -0.098 25102
644 1 5 . 1 1 22 22 GLN H H 22 7.656 7.656 7.797 -0.141 25102
645 1 5 . 1 1 23 23 ASP N N 23 115.262 115.262 116.978 -1.716 25102
646 1 5 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.472 -0.308 25102
647 1 5 . 1 1 23 23 ASP H H 23 7.757 7.757 8.578 -0.821 25102
648 1 5 . 1 1 24 24 VAL N N 24 119.478 119.478 118.679 0.799 25102
649 1 5 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.216 -0.053 25102
650 1 5 . 1 1 24 24 VAL H H 24 7.534 7.534 7.545 -0.011 25102
651 1 5 . 1 1 25 25 ALA N N 25 132.445 132.445 129.406 3.039 25102
652 1 5 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.671 -0.271 25102
653 1 5 . 1 1 25 25 ALA H H 25 8.565 8.565 8.201 0.364 25102
654 1 5 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.142 -0.478 25102
655 1 5 . 1 1 27 27 GLY N N 27 106.448 106.448 110.581 -4.133 25102
656 1 5 . 1 1 27 27 GLY H H 27 8.200 8.200 8.624 -0.424 25102
657 1 5 . 1 1 28 28 THR N N 28 118.305 118.305 116.808 1.497 25102
658 1 5 . 1 1 28 28 THR HA H 28 4.355 4.355 4.679 -0.324 25102
659 1 5 . 1 1 28 28 THR H H 28 7.251 7.251 7.983 -0.732 25102
660 1 5 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.345 0.339 25102
661 1 5 . 1 1 30 30 TRP N N 30 123.786 123.786 126.811 -3.025 25102
662 1 5 . 1 1 30 30 TRP HA H 30 3.957 3.957 4.017 -0.060 25102
663 1 5 . 1 1 30 30 TRP H H 30 9.563 9.563 8.882 0.681 25102
664 1 5 . 1 1 31 31 SER N N 31 111.431 111.431 113.583 -2.152 25102
665 1 5 . 1 1 31 31 SER HA H 31 3.859 3.859 3.981 -0.122 25102
666 1 5 . 1 1 31 31 SER H H 31 8.443 8.443 8.164 0.279 25102
667 1 5 . 1 1 32 32 GLU N N 32 119.555 119.555 118.978 0.577 25102
668 1 5 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.154 0.015 25102
669 1 5 . 1 1 32 32 GLU H H 32 7.594 7.594 7.839 -0.245 25102
670 1 5 . 1 1 33 33 VAL N N 33 125.616 125.616 122.085 3.531 25102
671 1 5 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.914 -0.377 25102
672 1 5 . 1 1 33 33 VAL H H 33 7.063 7.063 7.138 -0.075 25102
673 1 5 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.313 -0.158 25102
674 1 5 . 1 1 35 35 ASP N N 35 118.884 118.884 121.113 -2.229 25102
675 1 5 . 1 1 35 35 ASP HA H 35 4.053 4.053 4.119 -0.066 25102
676 1 5 . 1 1 35 35 ASP H H 35 8.381 8.381 8.712 -0.331 25102
677 1 5 . 1 1 36 36 ASN N N 36 115.350 115.350 116.436 -1.086 25102
678 1 5 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.485 0.069 25102
679 1 5 . 1 1 36 36 ASN H H 36 7.864 7.864 8.062 -0.198 25102
680 1 5 . 1 1 37 37 PHE N N 37 122.004 122.004 120.329 1.675 25102
681 1 5 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.305 -0.441 25102
682 1 5 . 1 1 37 37 PHE H H 37 7.397 7.397 7.759 -0.362 25102
683 1 5 . 1 1 38 38 LEU N N 38 127.420 127.420 128.321 -0.901 25102
684 1 5 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.464 0.260 25102
685 1 5 . 1 1 38 38 LEU H H 38 7.907 7.907 7.240 0.667 25102
686 1 5 . 1 1 39 39 CYS N N 39 125.807 125.807 124.502 1.305 25102
687 1 5 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.275 -0.221 25102
688 1 5 . 1 1 39 39 CYS H H 39 9.568 9.568 8.963 0.605 25102
689 1 5 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.212 -0.333 25102
690 1 5 . 1 1 41 41 GLU N N 41 120.864 120.864 117.763 3.101 25102
691 1 5 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.356 -0.032 25102
692 1 5 . 1 1 41 41 GLU H H 41 8.422 8.422 8.067 0.355 25102
693 1 5 . 1 1 42 42 CYS N N 42 121.478 121.478 117.365 4.113 25102
694 1 5 . 1 1 42 42 CYS HA H 42 4.774 4.774 4.994 -0.220 25102
695 1 5 . 1 1 42 42 CYS H H 42 8.562 8.562 7.539 1.023 25102
696 1 5 . 1 1 43 43 SER N N 43 114.585 114.585 118.109 -3.524 25102
697 1 5 . 1 1 43 43 SER HA H 43 4.048 4.048 4.002 0.046 25102
698 1 5 . 1 1 43 43 SER H H 43 7.905 7.905 8.645 -0.740 25102
699 1 5 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.276 0.351 25102
700 1 5 . 1 1 44 44 LEU H H 44 7.920 7.920 7.880 0.040 25102
701 1 5 . 1 1 45 45 GLY N N 45 103.239 103.239 112.816 -9.577 25102
702 1 5 . 1 1 45 45 GLY H H 45 8.158 8.158 8.735 -0.577 25102
703 1 5 . 1 1 46 46 LYS N N 46 113.276 113.276 116.737 -3.461 25102
704 1 5 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.221 -0.107 25102
705 1 5 . 1 1 46 46 LYS H H 46 8.269 8.269 7.710 0.559 25102
706 1 5 . 1 1 47 47 ASP N N 47 115.186 115.186 117.273 -2.087 25102
707 1 5 . 1 1 47 47 ASP HA H 47 4.493 4.493 4.935 -0.442 25102
708 1 5 . 1 1 47 47 ASP H H 47 8.910 8.910 8.257 0.653 25102
709 1 5 . 1 1 48 48 VAL N N 48 110.836 110.836 116.720 -5.884 25102
710 1 5 . 1 1 48 48 VAL HA H 48 4.607 4.607 4.164 0.443 25102
711 1 5 . 1 1 48 48 VAL H H 48 7.756 7.756 7.773 -0.017 25102
712 1 5 . 1 1 49 49 PHE N N 49 124.366 124.366 121.104 3.262 25102
713 1 5 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.108 0.761 25102
714 1 5 . 1 1 49 49 PHE H H 49 8.064 8.064 8.189 -0.125 25102
715 1 5 . 1 1 50 50 GLU N N 50 120.147 120.147 123.364 -3.217 25102
716 1 5 . 1 1 50 50 GLU HA H 50 4.619 4.619 4.453 0.166 25102
717 1 5 . 1 1 50 50 GLU H H 50 8.729 8.729 7.934 0.795 25102
718 1 5 . 1 1 51 51 GLU N N 51 123.941 123.941 116.455 7.486 25102
719 1 5 . 1 1 51 51 GLU HA H 51 4.753 4.753 4.006 0.747 25102
720 1 5 . 1 1 51 51 GLU H H 51 8.739 8.739 8.502 0.237 25102
721 1 5 . 1 1 52 52 LEU N N 52 126.863 126.863 115.978 10.885 25102
722 1 5 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.734 -0.422 25102
723 1 5 . 1 1 52 52 LEU H H 52 8.207 8.207 8.165 0.042 25102
724 1 5 . 1 1 53 53 ALA N N 53 128.679 128.679 120.425 8.254 25102
725 1 5 . 1 1 53 53 ALA HA H 53 4.259 4.259 4.963 -0.704 25102
726 1 5 . 1 1 53 53 ALA H H 53 8.494 8.494 8.138 0.356 25102
727 1 5 . 1 1 54 54 SER N N 54 113.369 113.369 113.939 -0.570 25102
728 1 5 . 1 1 54 54 SER HA H 54 4.706 4.706 4.038 0.668 25102
729 1 5 . 1 1 54 54 SER H H 54 8.893 8.893 8.807 0.086 25102
730 1 5 . 1 1 55 55 GLU N N 55 115.612 115.612 118.904 -3.292 25102
731 1 5 . 1 1 55 55 GLU HA H 55 3.776 3.776 4.477 -0.701 25102
732 1 5 . 1 1 55 55 GLU H H 55 8.296 8.296 7.892 0.404 25102
733 1 5 . 1 1 56 56 ALA N N 56 125.675 125.675 125.807 -0.132 25102
734 1 5 . 1 1 56 56 ALA HA H 56 4.223 4.223 4.385 -0.162 25102
735 1 5 . 1 1 56 56 ALA H H 56 8.185 8.185 8.459 -0.274 25102
736 1 6 . 1 1 2 2 PRO HA H 2 4.475 4.475 4.749 -0.274 25102
737 1 6 . 1 1 3 3 ARG N N 3 117.071 117.071 115.281 1.790 25102
738 1 6 . 1 1 3 3 ARG HA H 3 4.625 4.625 4.554 0.071 25102
739 1 6 . 1 1 3 3 ARG H H 3 8.107 8.107 8.278 -0.171 25102
740 1 6 . 1 1 4 4 MET N N 4 117.614 117.614 119.382 -1.768 25102
741 1 6 . 1 1 4 4 MET HA H 4 5.110 5.110 4.795 0.315 25102
742 1 6 . 1 1 4 4 MET H H 4 8.381 8.381 8.252 0.129 25102
743 1 6 . 1 1 5 5 GLN N N 5 122.654 122.654 118.372 4.282 25102
744 1 6 . 1 1 5 5 GLN HA H 5 5.037 5.037 4.724 0.313 25102
745 1 6 . 1 1 5 5 GLN H H 5 9.675 9.675 8.348 1.327 25102
746 1 6 . 1 1 6 6 CYS N N 6 135.155 135.155 121.847 13.308 25102
747 1 6 . 1 1 6 6 CYS HA H 6 2.658 2.658 4.046 -1.388 25102
748 1 6 . 1 1 6 6 CYS H H 6 9.415 9.415 8.294 1.121 25102
749 1 6 . 1 1 7 7 SER N N 7 125.596 125.596 119.611 5.985 25102
750 1 6 . 1 1 7 7 SER HA H 7 4.167 4.167 4.616 -0.449 25102
751 1 6 . 1 1 7 7 SER H H 7 8.147 8.147 8.508 -0.361 25102
752 1 6 . 1 1 8 8 VAL N N 8 128.046 128.046 119.117 8.929 25102
753 1 6 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.163 -0.296 25102
754 1 6 . 1 1 8 8 VAL H H 8 9.074 9.074 7.995 1.079 25102
755 1 6 . 1 1 9 9 CYS N N 9 124.350 124.350 116.576 7.774 25102
756 1 6 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.825 0.052 25102
757 1 6 . 1 1 9 9 CYS H H 9 9.443 9.443 8.008 1.435 25102
758 1 6 . 1 1 10 10 GLN N N 10 115.176 115.176 120.019 -4.843 25102
759 1 6 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.134 -0.142 25102
760 1 6 . 1 1 10 10 GLN H H 10 7.596 7.596 8.162 -0.566 25102
761 1 6 . 1 1 11 11 TRP N N 11 128.644 128.644 121.261 7.383 25102
762 1 6 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.676 -0.578 25102
763 1 6 . 1 1 11 11 TRP H H 11 9.200 9.200 7.659 1.541 25102
764 1 6 . 1 1 12 12 ILE N N 12 125.601 125.601 128.438 -2.837 25102
765 1 6 . 1 1 12 12 ILE HA H 12 4.314 4.314 3.932 0.382 25102
766 1 6 . 1 1 12 12 ILE H H 12 6.788 6.788 8.152 -1.364 25102
767 1 6 . 1 1 13 13 TYR N N 13 126.171 126.171 130.603 -4.432 25102
768 1 6 . 1 1 13 13 TYR HA H 13 3.877 3.877 3.786 0.091 25102
769 1 6 . 1 1 13 13 TYR H H 13 8.986 8.986 8.772 0.214 25102
770 1 6 . 1 1 14 14 ASP N N 14 129.316 129.316 126.183 3.133 25102
771 1 6 . 1 1 14 14 ASP HA H 14 4.835 4.835 4.512 0.323 25102
772 1 6 . 1 1 14 14 ASP H H 14 8.569 8.569 7.529 1.040 25102
773 1 6 . 1 1 15 15 PRO HA H 15 3.972 3.972 3.890 0.082 25102
774 1 6 . 1 1 16 16 ALA N N 16 117.037 117.037 118.788 -1.751 25102
775 1 6 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.156 -0.308 25102
776 1 6 . 1 1 16 16 ALA H H 16 7.923 7.923 8.468 -0.545 25102
777 1 6 . 1 1 17 17 LYS N N 17 115.236 115.236 113.716 1.520 25102
778 1 6 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.554 -0.300 25102
779 1 6 . 1 1 17 17 LYS H H 17 7.635 7.635 7.862 -0.227 25102
780 1 6 . 1 1 18 18 GLY N N 18 105.765 105.765 110.046 -4.281 25102
781 1 6 . 1 1 18 18 GLY H H 18 7.865 7.865 8.511 -0.646 25102
782 1 6 . 1 1 19 19 GLU N N 19 122.724 122.724 122.656 0.068 25102
783 1 6 . 1 1 19 19 GLU HA H 19 5.079 5.079 4.984 0.095 25102
784 1 6 . 1 1 19 19 GLU H H 19 9.072 9.072 8.398 0.674 25102
785 1 6 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.313 -0.115 25102
786 1 6 . 1 1 21 21 MET N N 21 120.818 120.818 117.635 3.183 25102
787 1 6 . 1 1 21 21 MET HA H 21 4.259 4.259 4.215 0.044 25102
788 1 6 . 1 1 21 21 MET H H 21 9.643 9.643 8.663 0.980 25102
789 1 6 . 1 1 22 22 GLN N N 22 118.335 118.335 118.489 -0.154 25102
790 1 6 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.456 -0.001 25102
791 1 6 . 1 1 22 22 GLN H H 22 7.656 7.656 8.132 -0.476 25102
792 1 6 . 1 1 23 23 ASP N N 23 115.262 115.262 117.235 -1.973 25102
793 1 6 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.443 -0.279 25102
794 1 6 . 1 1 23 23 ASP H H 23 7.757 7.757 8.398 -0.641 25102
795 1 6 . 1 1 24 24 VAL N N 24 119.478 119.478 117.220 2.258 25102
796 1 6 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.359 -0.196 25102
797 1 6 . 1 1 24 24 VAL H H 24 7.534 7.534 8.003 -0.469 25102
798 1 6 . 1 1 25 25 ALA N N 25 132.445 132.445 129.825 2.620 25102
799 1 6 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.878 -0.478 25102
800 1 6 . 1 1 25 25 ALA H H 25 8.565 8.565 8.406 0.159 25102
801 1 6 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.224 -0.560 25102
802 1 6 . 1 1 27 27 GLY N N 27 106.448 106.448 109.830 -3.382 25102
803 1 6 . 1 1 27 27 GLY H H 27 8.200 8.200 8.973 -0.773 25102
804 1 6 . 1 1 28 28 THR N N 28 118.305 118.305 115.045 3.260 25102
805 1 6 . 1 1 28 28 THR HA H 28 4.355 4.355 4.621 -0.266 25102
806 1 6 . 1 1 28 28 THR H H 28 7.251 7.251 7.812 -0.561 25102
807 1 6 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.432 0.252 25102
808 1 6 . 1 1 30 30 TRP N N 30 123.786 123.786 124.417 -0.631 25102
809 1 6 . 1 1 30 30 TRP HA H 30 3.957 3.957 4.165 -0.208 25102
810 1 6 . 1 1 30 30 TRP H H 30 9.563 9.563 8.727 0.836 25102
811 1 6 . 1 1 31 31 SER N N 31 111.431 111.431 112.370 -0.939 25102
812 1 6 . 1 1 31 31 SER HA H 31 3.859 3.859 4.184 -0.325 25102
813 1 6 . 1 1 31 31 SER H H 31 8.443 8.443 7.988 0.455 25102
814 1 6 . 1 1 32 32 GLU N N 32 119.555 119.555 119.591 -0.036 25102
815 1 6 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.142 0.027 25102
816 1 6 . 1 1 32 32 GLU H H 32 7.594 7.594 7.701 -0.107 25102
817 1 6 . 1 1 33 33 VAL N N 33 125.616 125.616 122.297 3.319 25102
818 1 6 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.784 -0.247 25102
819 1 6 . 1 1 33 33 VAL H H 33 7.063 7.063 7.284 -0.221 25102
820 1 6 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.273 -0.118 25102
821 1 6 . 1 1 35 35 ASP N N 35 118.884 118.884 116.269 2.615 25102
822 1 6 . 1 1 35 35 ASP HA H 35 4.053 4.053 4.545 -0.492 25102
823 1 6 . 1 1 35 35 ASP H H 35 8.381 8.381 8.595 -0.214 25102
824 1 6 . 1 1 36 36 ASN N N 36 115.350 115.350 116.665 -1.315 25102
825 1 6 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.814 -0.260 25102
826 1 6 . 1 1 36 36 ASN H H 36 7.864 7.864 8.191 -0.327 25102
827 1 6 . 1 1 37 37 PHE N N 37 122.004 122.004 120.533 1.471 25102
828 1 6 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.648 -0.784 25102
829 1 6 . 1 1 37 37 PHE H H 37 7.397 7.397 7.827 -0.429 25102
830 1 6 . 1 1 38 38 LEU N N 38 127.420 127.420 124.225 3.195 25102
831 1 6 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.536 0.188 25102
832 1 6 . 1 1 38 38 LEU H H 38 7.907 7.907 7.505 0.402 25102
833 1 6 . 1 1 39 39 CYS N N 39 125.807 125.807 121.277 4.530 25102
834 1 6 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.395 -0.341 25102
835 1 6 . 1 1 39 39 CYS H H 39 9.568 9.568 8.845 0.723 25102
836 1 6 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.160 -0.281 25102
837 1 6 . 1 1 41 41 GLU N N 41 120.864 120.864 115.508 5.356 25102
838 1 6 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.311 0.013 25102
839 1 6 . 1 1 41 41 GLU H H 41 8.422 8.422 7.992 0.430 25102
840 1 6 . 1 1 42 42 CYS N N 42 121.478 121.478 118.306 3.172 25102
841 1 6 . 1 1 42 42 CYS HA H 42 4.774 4.774 4.462 0.312 25102
842 1 6 . 1 1 42 42 CYS H H 42 8.562 8.562 8.669 -0.107 25102
843 1 6 . 1 1 43 43 SER N N 43 114.585 114.585 115.177 -0.592 25102
844 1 6 . 1 1 43 43 SER HA H 43 4.048 4.048 4.261 -0.213 25102
845 1 6 . 1 1 43 43 SER H H 43 7.905 7.905 7.700 0.205 25102
846 1 6 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.436 0.191 25102
847 1 6 . 1 1 44 44 LEU H H 44 7.920 7.920 7.880 0.040 25102
848 1 6 . 1 1 45 45 GLY N N 45 103.239 103.239 107.022 -3.783 25102
849 1 6 . 1 1 45 45 GLY H H 45 8.158 8.158 8.576 -0.418 25102
850 1 6 . 1 1 46 46 LYS N N 46 113.276 113.276 117.068 -3.792 25102
851 1 6 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.248 -0.134 25102
852 1 6 . 1 1 46 46 LYS H H 46 8.269 8.269 8.471 -0.202 25102
853 1 6 . 1 1 47 47 ASP N N 47 115.186 115.186 116.770 -1.584 25102
854 1 6 . 1 1 47 47 ASP HA H 47 4.493 4.493 4.757 -0.264 25102
855 1 6 . 1 1 47 47 ASP H H 47 8.910 8.910 8.290 0.620 25102
856 1 6 . 1 1 48 48 VAL N N 48 110.836 110.836 116.796 -5.960 25102
857 1 6 . 1 1 48 48 VAL HA H 48 4.607 4.607 4.167 0.440 25102
858 1 6 . 1 1 48 48 VAL H H 48 7.756 7.756 7.834 -0.078 25102
859 1 6 . 1 1 49 49 PHE N N 49 124.366 124.366 122.343 2.023 25102
860 1 6 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.115 0.754 25102
861 1 6 . 1 1 49 49 PHE H H 49 8.064 8.064 8.280 -0.216 25102
862 1 6 . 1 1 50 50 GLU N N 50 120.147 120.147 124.130 -3.983 25102
863 1 6 . 1 1 50 50 GLU HA H 50 4.619 4.619 4.391 0.228 25102
864 1 6 . 1 1 50 50 GLU H H 50 8.729 8.729 7.766 0.963 25102
865 1 6 . 1 1 51 51 GLU N N 51 123.941 123.941 116.035 7.906 25102
866 1 6 . 1 1 51 51 GLU HA H 51 4.753 4.753 4.005 0.748 25102
867 1 6 . 1 1 51 51 GLU H H 51 8.739 8.739 8.346 0.393 25102
868 1 6 . 1 1 52 52 LEU N N 52 126.863 126.863 115.484 11.379 25102
869 1 6 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.869 -0.557 25102
870 1 6 . 1 1 52 52 LEU H H 52 8.207 8.207 8.175 0.032 25102
871 1 6 . 1 1 53 53 ALA N N 53 128.679 128.679 120.212 8.467 25102
872 1 6 . 1 1 53 53 ALA HA H 53 4.259 4.259 4.631 -0.372 25102
873 1 6 . 1 1 53 53 ALA H H 53 8.494 8.494 8.146 0.348 25102
874 1 6 . 1 1 54 54 SER N N 54 113.369 113.369 116.196 -2.827 25102
875 1 6 . 1 1 54 54 SER HA H 54 4.706 4.706 4.012 0.694 25102
876 1 6 . 1 1 54 54 SER H H 54 8.893 8.893 8.544 0.349 25102
877 1 6 . 1 1 55 55 GLU N N 55 115.612 115.612 122.123 -6.511 25102
878 1 6 . 1 1 55 55 GLU HA H 55 3.776 3.776 4.005 -0.229 25102
879 1 6 . 1 1 55 55 GLU H H 55 8.296 8.296 8.701 -0.405 25102
880 1 6 . 1 1 56 56 ALA N N 56 125.675 125.675 123.410 2.265 25102
881 1 6 . 1 1 56 56 ALA HA H 56 4.223 4.223 4.555 -0.332 25102
882 1 6 . 1 1 56 56 ALA H H 56 8.185 8.185 8.070 0.115 25102
883 1 7 . 1 1 2 2 PRO HA H 2 4.475 4.475 4.698 -0.223 25102
884 1 7 . 1 1 3 3 ARG N N 3 117.071 117.071 118.288 -1.217 25102
885 1 7 . 1 1 3 3 ARG HA H 3 4.625 4.625 5.100 -0.475 25102
886 1 7 . 1 1 3 3 ARG H H 3 8.107 8.107 8.194 -0.087 25102
887 1 7 . 1 1 4 4 MET N N 4 117.614 117.614 118.987 -1.373 25102
888 1 7 . 1 1 4 4 MET HA H 4 5.110 5.110 5.001 0.109 25102
889 1 7 . 1 1 4 4 MET H H 4 8.381 8.381 8.663 -0.282 25102
890 1 7 . 1 1 5 5 GLN N N 5 122.654 122.654 116.155 6.499 25102
891 1 7 . 1 1 5 5 GLN HA H 5 5.037 5.037 5.209 -0.172 25102
892 1 7 . 1 1 5 5 GLN H H 5 9.675 9.675 8.244 1.431 25102
893 1 7 . 1 1 6 6 CYS N N 6 135.155 135.155 120.147 15.008 25102
894 1 7 . 1 1 6 6 CYS HA H 6 2.658 2.658 4.515 -1.857 25102
895 1 7 . 1 1 6 6 CYS H H 6 9.415 9.415 8.321 1.094 25102
896 1 7 . 1 1 7 7 SER N N 7 125.596 125.596 121.447 4.149 25102
897 1 7 . 1 1 7 7 SER HA H 7 4.167 4.167 4.450 -0.283 25102
898 1 7 . 1 1 7 7 SER H H 7 8.147 8.147 8.726 -0.579 25102
899 1 7 . 1 1 8 8 VAL N N 8 128.046 128.046 121.443 6.603 25102
900 1 7 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.226 -0.359 25102
901 1 7 . 1 1 8 8 VAL H H 8 9.074 9.074 8.276 0.798 25102
902 1 7 . 1 1 9 9 CYS N N 9 124.350 124.350 117.520 6.830 25102
903 1 7 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.724 0.153 25102
904 1 7 . 1 1 9 9 CYS H H 9 9.443 9.443 8.403 1.040 25102
905 1 7 . 1 1 10 10 GLN N N 10 115.176 115.176 119.478 -4.302 25102
906 1 7 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.152 -0.160 25102
907 1 7 . 1 1 10 10 GLN H H 10 7.596 7.596 8.240 -0.644 25102
908 1 7 . 1 1 11 11 TRP N N 11 128.644 128.644 121.755 6.889 25102
909 1 7 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.943 -0.845 25102
910 1 7 . 1 1 11 11 TRP H H 11 9.200 9.200 7.750 1.450 25102
911 1 7 . 1 1 12 12 ILE N N 12 125.601 125.601 129.176 -3.575 25102
912 1 7 . 1 1 12 12 ILE HA H 12 4.314 4.314 4.323 -0.009 25102
913 1 7 . 1 1 12 12 ILE H H 12 6.788 6.788 8.414 -1.626 25102
914 1 7 . 1 1 13 13 TYR N N 13 126.171 126.171 129.923 -3.752 25102
915 1 7 . 1 1 13 13 TYR HA H 13 3.877 3.877 4.064 -0.187 25102
916 1 7 . 1 1 13 13 TYR H H 13 8.986 8.986 8.811 0.175 25102
917 1 7 . 1 1 14 14 ASP N N 14 129.316 129.316 130.363 -1.047 25102
918 1 7 . 1 1 14 14 ASP HA H 14 4.835 4.835 4.984 -0.149 25102
919 1 7 . 1 1 14 14 ASP H H 14 8.569 8.569 7.933 0.636 25102
920 1 7 . 1 1 15 15 PRO HA H 15 3.972 3.972 4.036 -0.064 25102
921 1 7 . 1 1 16 16 ALA N N 16 117.037 117.037 119.163 -2.126 25102
922 1 7 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.095 -0.247 25102
923 1 7 . 1 1 16 16 ALA H H 16 7.923 7.923 8.385 -0.462 25102
924 1 7 . 1 1 17 17 LYS N N 17 115.236 115.236 114.663 0.573 25102
925 1 7 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.529 -0.275 25102
926 1 7 . 1 1 17 17 LYS H H 17 7.635 7.635 8.022 -0.387 25102
927 1 7 . 1 1 18 18 GLY N N 18 105.765 105.765 109.363 -3.598 25102
928 1 7 . 1 1 18 18 GLY H H 18 7.865 7.865 8.156 -0.291 25102
929 1 7 . 1 1 19 19 GLU N N 19 122.724 122.724 121.193 1.531 25102
930 1 7 . 1 1 19 19 GLU HA H 19 5.079 5.079 4.996 0.083 25102
931 1 7 . 1 1 19 19 GLU H H 19 9.072 9.072 8.343 0.729 25102
932 1 7 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.329 -0.131 25102
933 1 7 . 1 1 21 21 MET N N 21 120.818 120.818 115.834 4.984 25102
934 1 7 . 1 1 21 21 MET HA H 21 4.259 4.259 4.611 -0.352 25102
935 1 7 . 1 1 21 21 MET H H 21 9.643 9.643 7.855 1.788 25102
936 1 7 . 1 1 22 22 GLN N N 22 118.335 118.335 119.218 -0.883 25102
937 1 7 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.519 -0.064 25102
938 1 7 . 1 1 22 22 GLN H H 22 7.656 7.656 8.139 -0.483 25102
939 1 7 . 1 1 23 23 ASP N N 23 115.262 115.262 117.439 -2.177 25102
940 1 7 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.440 -0.276 25102
941 1 7 . 1 1 23 23 ASP H H 23 7.757 7.757 7.958 -0.201 25102
942 1 7 . 1 1 24 24 VAL N N 24 119.478 119.478 118.758 0.720 25102
943 1 7 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.287 -0.124 25102
944 1 7 . 1 1 24 24 VAL H H 24 7.534 7.534 7.429 0.105 25102
945 1 7 . 1 1 25 25 ALA N N 25 132.445 132.445 128.484 3.961 25102
946 1 7 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.676 -0.276 25102
947 1 7 . 1 1 25 25 ALA H H 25 8.565 8.565 8.408 0.157 25102
948 1 7 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.228 -0.564 25102
949 1 7 . 1 1 27 27 GLY N N 27 106.448 106.448 110.600 -4.152 25102
950 1 7 . 1 1 27 27 GLY H H 27 8.200 8.200 8.415 -0.215 25102
951 1 7 . 1 1 28 28 THR N N 28 118.305 118.305 115.281 3.024 25102
952 1 7 . 1 1 28 28 THR HA H 28 4.355 4.355 4.573 -0.218 25102
953 1 7 . 1 1 28 28 THR H H 28 7.251 7.251 7.842 -0.591 25102
954 1 7 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.284 0.400 25102
955 1 7 . 1 1 30 30 TRP N N 30 123.786 123.786 127.053 -3.267 25102
956 1 7 . 1 1 30 30 TRP HA H 30 3.957 3.957 4.028 -0.071 25102
957 1 7 . 1 1 30 30 TRP H H 30 9.563 9.563 8.737 0.826 25102
958 1 7 . 1 1 31 31 SER N N 31 111.431 111.431 112.414 -0.983 25102
959 1 7 . 1 1 31 31 SER HA H 31 3.859 3.859 3.901 -0.042 25102
960 1 7 . 1 1 31 31 SER H H 31 8.443 8.443 7.958 0.485 25102
961 1 7 . 1 1 32 32 GLU N N 32 119.555 119.555 120.878 -1.323 25102
962 1 7 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.146 0.023 25102
963 1 7 . 1 1 32 32 GLU H H 32 7.594 7.594 7.813 -0.219 25102
964 1 7 . 1 1 33 33 VAL N N 33 125.616 125.616 122.256 3.360 25102
965 1 7 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.877 -0.340 25102
966 1 7 . 1 1 33 33 VAL H H 33 7.063 7.063 7.396 -0.333 25102
967 1 7 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.324 -0.169 25102
968 1 7 . 1 1 35 35 ASP N N 35 118.884 118.884 123.590 -4.706 25102
969 1 7 . 1 1 35 35 ASP HA H 35 4.053 4.053 4.051 0.002 25102
970 1 7 . 1 1 35 35 ASP H H 35 8.381 8.381 8.721 -0.340 25102
971 1 7 . 1 1 36 36 ASN N N 36 115.350 115.350 115.890 -0.540 25102
972 1 7 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.500 0.054 25102
973 1 7 . 1 1 36 36 ASN H H 36 7.864 7.864 8.082 -0.218 25102
974 1 7 . 1 1 37 37 PHE N N 37 122.004 122.004 120.228 1.776 25102
975 1 7 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.420 -0.556 25102
976 1 7 . 1 1 37 37 PHE H H 37 7.397 7.397 7.837 -0.440 25102
977 1 7 . 1 1 38 38 LEU N N 38 127.420 127.420 128.004 -0.584 25102
978 1 7 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.470 0.254 25102
979 1 7 . 1 1 38 38 LEU H H 38 7.907 7.907 7.486 0.421 25102
980 1 7 . 1 1 39 39 CYS N N 39 125.807 125.807 123.970 1.837 25102
981 1 7 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.260 -0.206 25102
982 1 7 . 1 1 39 39 CYS H H 39 9.568 9.568 8.956 0.612 25102
983 1 7 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.183 -0.304 25102
984 1 7 . 1 1 41 41 GLU N N 41 120.864 120.864 117.534 3.330 25102
985 1 7 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.353 -0.029 25102
986 1 7 . 1 1 41 41 GLU H H 41 8.422 8.422 8.077 0.345 25102
987 1 7 . 1 1 42 42 CYS N N 42 121.478 121.478 117.526 3.952 25102
988 1 7 . 1 1 42 42 CYS HA H 42 4.774 4.774 5.005 -0.231 25102
989 1 7 . 1 1 42 42 CYS H H 42 8.562 8.562 7.458 1.104 25102
990 1 7 . 1 1 43 43 SER N N 43 114.585 114.585 118.571 -3.986 25102
991 1 7 . 1 1 43 43 SER HA H 43 4.048 4.048 4.028 0.020 25102
992 1 7 . 1 1 43 43 SER H H 43 7.905 7.905 8.679 -0.774 25102
993 1 7 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.182 0.445 25102
994 1 7 . 1 1 44 44 LEU H H 44 7.920 7.920 7.864 0.056 25102
995 1 7 . 1 1 45 45 GLY N N 45 103.239 103.239 106.946 -3.707 25102
996 1 7 . 1 1 45 45 GLY H H 45 8.158 8.158 8.514 -0.356 25102
997 1 7 . 1 1 46 46 LYS N N 46 113.276 113.276 117.244 -3.968 25102
998 1 7 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.205 -0.091 25102
999 1 7 . 1 1 46 46 LYS H H 46 8.269 8.269 8.446 -0.177 25102
1000 1 7 . 1 1 47 47 ASP N N 47 115.186 115.186 116.795 -1.609 25102
1001 1 7 . 1 1 47 47 ASP HA H 47 4.493 4.493 4.870 -0.377 25102
1002 1 7 . 1 1 47 47 ASP H H 47 8.910 8.910 8.180 0.730 25102
1003 1 7 . 1 1 48 48 VAL N N 48 110.836 110.836 117.872 -7.036 25102
1004 1 7 . 1 1 48 48 VAL HA H 48 4.607 4.607 4.191 0.416 25102
1005 1 7 . 1 1 48 48 VAL H H 48 7.756 7.756 7.889 -0.133 25102
1006 1 7 . 1 1 49 49 PHE N N 49 124.366 124.366 121.508 2.858 25102
1007 1 7 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.071 0.798 25102
1008 1 7 . 1 1 49 49 PHE H H 49 8.064 8.064 8.251 -0.187 25102
1009 1 7 . 1 1 50 50 GLU N N 50 120.147 120.147 123.442 -3.295 25102
1010 1 7 . 1 1 50 50 GLU HA H 50 4.619 4.619 4.485 0.134 25102
1011 1 7 . 1 1 50 50 GLU H H 50 8.729 8.729 7.972 0.757 25102
1012 1 7 . 1 1 51 51 GLU N N 51 123.941 123.941 116.938 7.003 25102
1013 1 7 . 1 1 51 51 GLU HA H 51 4.753 4.753 4.017 0.736 25102
1014 1 7 . 1 1 51 51 GLU H H 51 8.739 8.739 8.312 0.427 25102
1015 1 7 . 1 1 52 52 LEU N N 52 126.863 126.863 114.579 12.284 25102
1016 1 7 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.745 -0.433 25102
1017 1 7 . 1 1 52 52 LEU H H 52 8.207 8.207 8.041 0.166 25102
1018 1 7 . 1 1 53 53 ALA N N 53 128.679 128.679 121.577 7.102 25102
1019 1 7 . 1 1 53 53 ALA HA H 53 4.259 4.259 4.743 -0.484 25102
1020 1 7 . 1 1 53 53 ALA H H 53 8.494 8.494 8.075 0.419 25102
1021 1 7 . 1 1 54 54 SER N N 54 113.369 113.369 113.180 0.189 25102
1022 1 7 . 1 1 54 54 SER HA H 54 4.706 4.706 4.294 0.412 25102
1023 1 7 . 1 1 54 54 SER H H 54 8.893 8.893 8.477 0.416 25102
1024 1 7 . 1 1 55 55 GLU N N 55 115.612 115.612 122.323 -6.711 25102
1025 1 7 . 1 1 55 55 GLU HA H 55 3.776 3.776 4.047 -0.271 25102
1026 1 7 . 1 1 55 55 GLU H H 55 8.296 8.296 8.871 -0.575 25102
1027 1 7 . 1 1 56 56 ALA N N 56 125.675 125.675 120.073 5.602 25102
1028 1 7 . 1 1 56 56 ALA HA H 56 4.223 4.223 4.404 -0.181 25102
1029 1 7 . 1 1 56 56 ALA H H 56 8.185 8.185 7.574 0.611 25102
1030 1 8 . 1 1 2 2 PRO HA H 2 4.475 4.475 4.858 -0.383 25102
1031 1 8 . 1 1 3 3 ARG N N 3 117.071 117.071 117.091 -0.020 25102
1032 1 8 . 1 1 3 3 ARG HA H 3 4.625 4.625 5.001 -0.376 25102
1033 1 8 . 1 1 3 3 ARG H H 3 8.107 8.107 8.452 -0.345 25102
1034 1 8 . 1 1 4 4 MET N N 4 117.614 117.614 118.639 -1.025 25102
1035 1 8 . 1 1 4 4 MET HA H 4 5.110 5.110 4.834 0.276 25102
1036 1 8 . 1 1 4 4 MET H H 4 8.381 8.381 8.445 -0.064 25102
1037 1 8 . 1 1 5 5 GLN N N 5 122.654 122.654 116.169 6.485 25102
1038 1 8 . 1 1 5 5 GLN HA H 5 5.037 5.037 5.014 0.023 25102
1039 1 8 . 1 1 5 5 GLN H H 5 9.675 9.675 8.173 1.502 25102
1040 1 8 . 1 1 6 6 CYS N N 6 135.155 135.155 119.785 15.370 25102
1041 1 8 . 1 1 6 6 CYS HA H 6 2.658 2.658 4.263 -1.605 25102
1042 1 8 . 1 1 6 6 CYS H H 6 9.415 9.415 8.609 0.806 25102
1043 1 8 . 1 1 7 7 SER N N 7 125.596 125.596 116.441 9.155 25102
1044 1 8 . 1 1 7 7 SER HA H 7 4.167 4.167 4.554 -0.387 25102
1045 1 8 . 1 1 7 7 SER H H 7 8.147 8.147 8.384 -0.237 25102
1046 1 8 . 1 1 8 8 VAL N N 8 128.046 128.046 120.781 7.265 25102
1047 1 8 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.202 -0.335 25102
1048 1 8 . 1 1 8 8 VAL H H 8 9.074 9.074 8.213 0.861 25102
1049 1 8 . 1 1 9 9 CYS N N 9 124.350 124.350 117.434 6.916 25102
1050 1 8 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.552 0.325 25102
1051 1 8 . 1 1 9 9 CYS H H 9 9.443 9.443 8.182 1.261 25102
1052 1 8 . 1 1 10 10 GLN N N 10 115.176 115.176 120.338 -5.162 25102
1053 1 8 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.249 -0.257 25102
1054 1 8 . 1 1 10 10 GLN H H 10 7.596 7.596 8.354 -0.758 25102
1055 1 8 . 1 1 11 11 TRP N N 11 128.644 128.644 121.869 6.775 25102
1056 1 8 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.803 -0.705 25102
1057 1 8 . 1 1 11 11 TRP H H 11 9.200 9.200 7.656 1.544 25102
1058 1 8 . 1 1 12 12 ILE N N 12 125.601 125.601 130.470 -4.869 25102
1059 1 8 . 1 1 12 12 ILE HA H 12 4.314 4.314 4.278 0.036 25102
1060 1 8 . 1 1 12 12 ILE H H 12 6.788 6.788 8.468 -1.680 25102
1061 1 8 . 1 1 13 13 TYR N N 13 126.171 126.171 130.566 -4.395 25102
1062 1 8 . 1 1 13 13 TYR HA H 13 3.877 3.877 3.782 0.095 25102
1063 1 8 . 1 1 13 13 TYR H H 13 8.986 8.986 8.640 0.346 25102
1064 1 8 . 1 1 14 14 ASP N N 14 129.316 129.316 129.964 -0.648 25102
1065 1 8 . 1 1 14 14 ASP HA H 14 4.835 4.835 4.941 -0.106 25102
1066 1 8 . 1 1 14 14 ASP H H 14 8.569 8.569 7.978 0.591 25102
1067 1 8 . 1 1 15 15 PRO HA H 15 3.972 3.972 4.026 -0.054 25102
1068 1 8 . 1 1 16 16 ALA N N 16 117.037 117.037 117.441 -0.404 25102
1069 1 8 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.193 -0.345 25102
1070 1 8 . 1 1 16 16 ALA H H 16 7.923 7.923 8.067 -0.144 25102
1071 1 8 . 1 1 17 17 LYS N N 17 115.236 115.236 115.187 0.049 25102
1072 1 8 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.558 -0.304 25102
1073 1 8 . 1 1 17 17 LYS H H 17 7.635 7.635 8.145 -0.510 25102
1074 1 8 . 1 1 18 18 GLY N N 18 105.765 105.765 111.143 -5.378 25102
1075 1 8 . 1 1 18 18 GLY H H 18 7.865 7.865 8.273 -0.408 25102
1076 1 8 . 1 1 19 19 GLU N N 19 122.724 122.724 120.912 1.812 25102
1077 1 8 . 1 1 19 19 GLU HA H 19 5.079 5.079 4.941 0.138 25102
1078 1 8 . 1 1 19 19 GLU H H 19 9.072 9.072 8.175 0.897 25102
1079 1 8 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.558 -0.360 25102
1080 1 8 . 1 1 21 21 MET N N 21 120.818 120.818 116.085 4.733 25102
1081 1 8 . 1 1 21 21 MET HA H 21 4.259 4.259 4.744 -0.485 25102
1082 1 8 . 1 1 21 21 MET H H 21 9.643 9.643 7.820 1.823 25102
1083 1 8 . 1 1 22 22 GLN N N 22 118.335 118.335 120.800 -2.465 25102
1084 1 8 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.496 -0.041 25102
1085 1 8 . 1 1 22 22 GLN H H 22 7.656 7.656 8.011 -0.355 25102
1086 1 8 . 1 1 23 23 ASP N N 23 115.262 115.262 115.171 0.091 25102
1087 1 8 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.473 -0.309 25102
1088 1 8 . 1 1 23 23 ASP H H 23 7.757 7.757 8.390 -0.633 25102
1089 1 8 . 1 1 24 24 VAL N N 24 119.478 119.478 119.566 -0.088 25102
1090 1 8 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.192 -0.029 25102
1091 1 8 . 1 1 24 24 VAL H H 24 7.534 7.534 7.470 0.064 25102
1092 1 8 . 1 1 25 25 ALA N N 25 132.445 132.445 129.692 2.753 25102
1093 1 8 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.632 -0.232 25102
1094 1 8 . 1 1 25 25 ALA H H 25 8.565 8.565 8.180 0.385 25102
1095 1 8 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.278 -0.614 25102
1096 1 8 . 1 1 27 27 GLY N N 27 106.448 106.448 107.363 -0.915 25102
1097 1 8 . 1 1 27 27 GLY H H 27 8.200 8.200 8.434 -0.234 25102
1098 1 8 . 1 1 28 28 THR N N 28 118.305 118.305 115.232 3.073 25102
1099 1 8 . 1 1 28 28 THR HA H 28 4.355 4.355 4.545 -0.190 25102
1100 1 8 . 1 1 28 28 THR H H 28 7.251 7.251 7.791 -0.540 25102
1101 1 8 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.258 0.426 25102
1102 1 8 . 1 1 30 30 TRP N N 30 123.786 123.786 126.006 -2.220 25102
1103 1 8 . 1 1 30 30 TRP HA H 30 3.957 3.957 4.071 -0.114 25102
1104 1 8 . 1 1 30 30 TRP H H 30 9.563 9.563 8.806 0.757 25102
1105 1 8 . 1 1 31 31 SER N N 31 111.431 111.431 113.025 -1.594 25102
1106 1 8 . 1 1 31 31 SER HA H 31 3.859 3.859 4.060 -0.201 25102
1107 1 8 . 1 1 31 31 SER H H 31 8.443 8.443 7.952 0.491 25102
1108 1 8 . 1 1 32 32 GLU N N 32 119.555 119.555 120.866 -1.311 25102
1109 1 8 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.133 0.036 25102
1110 1 8 . 1 1 32 32 GLU H H 32 7.594 7.594 7.610 -0.016 25102
1111 1 8 . 1 1 33 33 VAL N N 33 125.616 125.616 121.872 3.744 25102
1112 1 8 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.684 -0.147 25102
1113 1 8 . 1 1 33 33 VAL H H 33 7.063 7.063 7.521 -0.458 25102
1114 1 8 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.262 -0.107 25102
1115 1 8 . 1 1 35 35 ASP N N 35 118.884 118.884 120.428 -1.544 25102
1116 1 8 . 1 1 35 35 ASP HA H 35 4.053 4.053 4.495 -0.442 25102
1117 1 8 . 1 1 35 35 ASP H H 35 8.381 8.381 8.369 0.012 25102
1118 1 8 . 1 1 36 36 ASN N N 36 115.350 115.350 123.497 -8.147 25102
1119 1 8 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.583 -0.029 25102
1120 1 8 . 1 1 36 36 ASN H H 36 7.864 7.864 8.566 -0.702 25102
1121 1 8 . 1 1 37 37 PHE N N 37 122.004 122.004 122.689 -0.685 25102
1122 1 8 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.197 -0.333 25102
1123 1 8 . 1 1 37 37 PHE H H 37 7.397 7.397 8.174 -0.777 25102
1124 1 8 . 1 1 38 38 LEU N N 38 127.420 127.420 129.665 -2.245 25102
1125 1 8 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.604 0.120 25102
1126 1 8 . 1 1 38 38 LEU H H 38 7.907 7.907 7.798 0.109 25102
1127 1 8 . 1 1 39 39 CYS N N 39 125.807 125.807 124.498 1.309 25102
1128 1 8 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.314 -0.260 25102
1129 1 8 . 1 1 39 39 CYS H H 39 9.568 9.568 9.117 0.451 25102
1130 1 8 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.194 -0.315 25102
1131 1 8 . 1 1 41 41 GLU N N 41 120.864 120.864 117.445 3.419 25102
1132 1 8 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.359 -0.035 25102
1133 1 8 . 1 1 41 41 GLU H H 41 8.422 8.422 8.042 0.380 25102
1134 1 8 . 1 1 42 42 CYS N N 42 121.478 121.478 117.712 3.766 25102
1135 1 8 . 1 1 42 42 CYS HA H 42 4.774 4.774 5.011 -0.237 25102
1136 1 8 . 1 1 42 42 CYS H H 42 8.562 8.562 7.565 0.997 25102
1137 1 8 . 1 1 43 43 SER N N 43 114.585 114.585 118.069 -3.484 25102
1138 1 8 . 1 1 43 43 SER HA H 43 4.048 4.048 3.983 0.065 25102
1139 1 8 . 1 1 43 43 SER H H 43 7.905 7.905 8.555 -0.650 25102
1140 1 8 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.227 0.400 25102
1141 1 8 . 1 1 44 44 LEU H H 44 7.920 7.920 8.120 -0.200 25102
1142 1 8 . 1 1 45 45 GLY N N 45 103.239 103.239 113.081 -9.842 25102
1143 1 8 . 1 1 45 45 GLY H H 45 8.158 8.158 8.894 -0.736 25102
1144 1 8 . 1 1 46 46 LYS N N 46 113.276 113.276 118.334 -5.058 25102
1145 1 8 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.256 -0.142 25102
1146 1 8 . 1 1 46 46 LYS H H 46 8.269 8.269 8.336 -0.067 25102
1147 1 8 . 1 1 47 47 ASP N N 47 115.186 115.186 116.381 -1.195 25102
1148 1 8 . 1 1 47 47 ASP HA H 47 4.493 4.493 5.020 -0.527 25102
1149 1 8 . 1 1 47 47 ASP H H 47 8.910 8.910 8.469 0.441 25102
1150 1 8 . 1 1 48 48 VAL N N 48 110.836 110.836 118.823 -7.987 25102
1151 1 8 . 1 1 48 48 VAL HA H 48 4.607 4.607 4.264 0.343 25102
1152 1 8 . 1 1 48 48 VAL H H 48 7.756 7.756 7.931 -0.175 25102
1153 1 8 . 1 1 49 49 PHE N N 49 124.366 124.366 119.969 4.397 25102
1154 1 8 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.647 0.222 25102
1155 1 8 . 1 1 49 49 PHE H H 49 8.064 8.064 7.944 0.120 25102
1156 1 8 . 1 1 50 50 GLU N N 50 120.147 120.147 123.580 -3.433 25102
1157 1 8 . 1 1 50 50 GLU HA H 50 4.619 4.619 4.489 0.130 25102
1158 1 8 . 1 1 50 50 GLU H H 50 8.729 8.729 8.138 0.591 25102
1159 1 8 . 1 1 51 51 GLU N N 51 123.941 123.941 117.146 6.795 25102
1160 1 8 . 1 1 51 51 GLU HA H 51 4.753 4.753 3.998 0.755 25102
1161 1 8 . 1 1 51 51 GLU H H 51 8.739 8.739 8.363 0.376 25102
1162 1 8 . 1 1 52 52 LEU N N 52 126.863 126.863 113.494 13.369 25102
1163 1 8 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.652 -0.340 25102
1164 1 8 . 1 1 52 52 LEU H H 52 8.207 8.207 8.166 0.041 25102
1165 1 8 . 1 1 53 53 ALA N N 53 128.679 128.679 119.517 9.162 25102
1166 1 8 . 1 1 53 53 ALA HA H 53 4.259 4.259 4.794 -0.535 25102
1167 1 8 . 1 1 53 53 ALA H H 53 8.494 8.494 8.160 0.334 25102
1168 1 8 . 1 1 54 54 SER N N 54 113.369 113.369 113.628 -0.259 25102
1169 1 8 . 1 1 54 54 SER HA H 54 4.706 4.706 4.294 0.412 25102
1170 1 8 . 1 1 54 54 SER H H 54 8.893 8.893 8.561 0.332 25102
1171 1 8 . 1 1 55 55 GLU N N 55 115.612 115.612 124.377 -8.765 25102
1172 1 8 . 1 1 55 55 GLU HA H 55 3.776 3.776 4.326 -0.550 25102
1173 1 8 . 1 1 55 55 GLU H H 55 8.296 8.296 8.497 -0.201 25102
1174 1 8 . 1 1 56 56 ALA N N 56 125.675 125.675 125.663 0.012 25102
1175 1 8 . 1 1 56 56 ALA HA H 56 4.223 4.223 4.336 -0.113 25102
1176 1 8 . 1 1 56 56 ALA H H 56 8.185 8.185 8.422 -0.237 25102
1177 1 9 . 1 1 2 2 PRO HA H 2 4.475 4.475 4.938 -0.463 25102
1178 1 9 . 1 1 3 3 ARG N N 3 117.071 117.071 118.135 -1.064 25102
1179 1 9 . 1 1 3 3 ARG HA H 3 4.625 4.625 5.052 -0.427 25102
1180 1 9 . 1 1 3 3 ARG H H 3 8.107 8.107 8.409 -0.302 25102
1181 1 9 . 1 1 4 4 MET N N 4 117.614 117.614 119.751 -2.137 25102
1182 1 9 . 1 1 4 4 MET HA H 4 5.110 5.110 4.840 0.270 25102
1183 1 9 . 1 1 4 4 MET H H 4 8.381 8.381 8.906 -0.525 25102
1184 1 9 . 1 1 5 5 GLN N N 5 122.654 122.654 121.233 1.421 25102
1185 1 9 . 1 1 5 5 GLN HA H 5 5.037 5.037 5.474 -0.437 25102
1186 1 9 . 1 1 5 5 GLN H H 5 9.675 9.675 8.302 1.373 25102
1187 1 9 . 1 1 6 6 CYS N N 6 135.155 135.155 120.225 14.930 25102
1188 1 9 . 1 1 6 6 CYS HA H 6 2.658 2.658 4.117 -1.459 25102
1189 1 9 . 1 1 6 6 CYS H H 6 9.415 9.415 8.458 0.957 25102
1190 1 9 . 1 1 7 7 SER N N 7 125.596 125.596 125.079 0.517 25102
1191 1 9 . 1 1 7 7 SER HA H 7 4.167 4.167 4.414 -0.247 25102
1192 1 9 . 1 1 7 7 SER H H 7 8.147 8.147 8.741 -0.594 25102
1193 1 9 . 1 1 8 8 VAL N N 8 128.046 128.046 120.516 7.530 25102
1194 1 9 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.156 -0.289 25102
1195 1 9 . 1 1 8 8 VAL H H 8 9.074 9.074 8.203 0.871 25102
1196 1 9 . 1 1 9 9 CYS N N 9 124.350 124.350 117.849 6.501 25102
1197 1 9 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.610 0.267 25102
1198 1 9 . 1 1 9 9 CYS H H 9 9.443 9.443 8.082 1.361 25102
1199 1 9 . 1 1 10 10 GLN N N 10 115.176 115.176 118.454 -3.278 25102
1200 1 9 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.125 -0.133 25102
1201 1 9 . 1 1 10 10 GLN H H 10 7.596 7.596 8.201 -0.605 25102
1202 1 9 . 1 1 11 11 TRP N N 11 128.644 128.644 120.850 7.794 25102
1203 1 9 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.878 -0.780 25102
1204 1 9 . 1 1 11 11 TRP H H 11 9.200 9.200 8.069 1.131 25102
1205 1 9 . 1 1 12 12 ILE N N 12 125.601 125.601 128.495 -2.894 25102
1206 1 9 . 1 1 12 12 ILE HA H 12 4.314 4.314 4.136 0.178 25102
1207 1 9 . 1 1 12 12 ILE H H 12 6.788 6.788 8.371 -1.583 25102
1208 1 9 . 1 1 13 13 TYR N N 13 126.171 126.171 131.035 -4.864 25102
1209 1 9 . 1 1 13 13 TYR HA H 13 3.877 3.877 4.575 -0.698 25102
1210 1 9 . 1 1 13 13 TYR H H 13 8.986 8.986 9.604 -0.618 25102
1211 1 9 . 1 1 14 14 ASP N N 14 129.316 129.316 129.757 -0.441 25102
1212 1 9 . 1 1 14 14 ASP HA H 14 4.835 4.835 5.113 -0.278 25102
1213 1 9 . 1 1 14 14 ASP H H 14 8.569 8.569 8.043 0.525 25102
1214 1 9 . 1 1 15 15 PRO HA H 15 3.972 3.972 4.088 -0.116 25102
1215 1 9 . 1 1 16 16 ALA N N 16 117.037 117.037 117.395 -0.358 25102
1216 1 9 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.189 -0.341 25102
1217 1 9 . 1 1 16 16 ALA H H 16 7.923 7.923 8.410 -0.487 25102
1218 1 9 . 1 1 17 17 LYS N N 17 115.236 115.236 114.763 0.473 25102
1219 1 9 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.568 -0.314 25102
1220 1 9 . 1 1 17 17 LYS H H 17 7.635 7.635 8.253 -0.618 25102
1221 1 9 . 1 1 18 18 GLY N N 18 105.765 105.765 110.916 -5.151 25102
1222 1 9 . 1 1 18 18 GLY H H 18 7.865 7.865 8.100 -0.235 25102
1223 1 9 . 1 1 19 19 GLU N N 19 122.724 122.724 121.299 1.425 25102
1224 1 9 . 1 1 19 19 GLU HA H 19 5.079 5.079 4.979 0.100 25102
1225 1 9 . 1 1 19 19 GLU H H 19 9.072 9.072 8.431 0.641 25102
1226 1 9 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.455 -0.257 25102
1227 1 9 . 1 1 21 21 MET N N 21 120.818 120.818 115.870 4.948 25102
1228 1 9 . 1 1 21 21 MET HA H 21 4.259 4.259 4.647 -0.388 25102
1229 1 9 . 1 1 21 21 MET H H 21 9.643 9.643 7.778 1.865 25102
1230 1 9 . 1 1 22 22 GLN N N 22 118.335 118.335 120.297 -1.962 25102
1231 1 9 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.481 -0.026 25102
1232 1 9 . 1 1 22 22 GLN H H 22 7.656 7.656 7.827 -0.171 25102
1233 1 9 . 1 1 23 23 ASP N N 23 115.262 115.262 115.540 -0.278 25102
1234 1 9 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.480 -0.316 25102
1235 1 9 . 1 1 23 23 ASP H H 23 7.757 7.757 8.494 -0.737 25102
1236 1 9 . 1 1 24 24 VAL N N 24 119.478 119.478 119.757 -0.279 25102
1237 1 9 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.226 -0.063 25102
1238 1 9 . 1 1 24 24 VAL H H 24 7.534 7.534 7.512 0.022 25102
1239 1 9 . 1 1 25 25 ALA N N 25 132.445 132.445 130.339 2.106 25102
1240 1 9 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.653 -0.253 25102
1241 1 9 . 1 1 25 25 ALA H H 25 8.565 8.565 8.124 0.441 25102
1242 1 9 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.167 -0.503 25102
1243 1 9 . 1 1 27 27 GLY N N 27 106.448 106.448 106.890 -0.442 25102
1244 1 9 . 1 1 27 27 GLY H H 27 8.200 8.200 8.541 -0.341 25102
1245 1 9 . 1 1 28 28 THR N N 28 118.305 118.305 115.362 2.943 25102
1246 1 9 . 1 1 28 28 THR HA H 28 4.355 4.355 4.614 -0.259 25102
1247 1 9 . 1 1 28 28 THR H H 28 7.251 7.251 7.878 -0.627 25102
1248 1 9 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.395 0.289 25102
1249 1 9 . 1 1 30 30 TRP N N 30 123.786 123.786 125.959 -2.173 25102
1250 1 9 . 1 1 30 30 TRP HA H 30 3.957 3.957 4.045 -0.088 25102
1251 1 9 . 1 1 30 30 TRP H H 30 9.563 9.563 8.520 1.043 25102
1252 1 9 . 1 1 31 31 SER N N 31 111.431 111.431 112.504 -1.073 25102
1253 1 9 . 1 1 31 31 SER HA H 31 3.859 3.859 4.009 -0.150 25102
1254 1 9 . 1 1 31 31 SER H H 31 8.443 8.443 7.888 0.555 25102
1255 1 9 . 1 1 32 32 GLU N N 32 119.555 119.555 120.139 -0.584 25102
1256 1 9 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.107 0.062 25102
1257 1 9 . 1 1 32 32 GLU H H 32 7.594 7.594 7.933 -0.339 25102
1258 1 9 . 1 1 33 33 VAL N N 33 125.616 125.616 122.181 3.435 25102
1259 1 9 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.713 -0.176 25102
1260 1 9 . 1 1 33 33 VAL H H 33 7.063 7.063 7.492 -0.429 25102
1261 1 9 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.285 -0.130 25102
1262 1 9 . 1 1 35 35 ASP N N 35 118.884 118.884 122.184 -3.300 25102
1263 1 9 . 1 1 35 35 ASP HA H 35 4.053 4.053 4.344 -0.291 25102
1264 1 9 . 1 1 35 35 ASP H H 35 8.381 8.381 8.368 0.013 25102
1265 1 9 . 1 1 36 36 ASN N N 36 115.350 115.350 120.151 -4.801 25102
1266 1 9 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.554 0.000 25102
1267 1 9 . 1 1 36 36 ASN H H 36 7.864 7.864 8.239 -0.375 25102
1268 1 9 . 1 1 37 37 PHE N N 37 122.004 122.004 122.332 -0.328 25102
1269 1 9 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.202 -0.338 25102
1270 1 9 . 1 1 37 37 PHE H H 37 7.397 7.397 7.995 -0.598 25102
1271 1 9 . 1 1 38 38 LEU N N 38 127.420 127.420 125.332 2.088 25102
1272 1 9 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.609 0.115 25102
1273 1 9 . 1 1 38 38 LEU H H 38 7.907 7.907 7.450 0.457 25102
1274 1 9 . 1 1 39 39 CYS N N 39 125.807 125.807 118.655 7.152 25102
1275 1 9 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.474 -0.420 25102
1276 1 9 . 1 1 39 39 CYS H H 39 9.568 9.568 8.753 0.815 25102
1277 1 9 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.229 -0.350 25102
1278 1 9 . 1 1 41 41 GLU N N 41 120.864 120.864 121.297 -0.433 25102
1279 1 9 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.237 0.087 25102
1280 1 9 . 1 1 41 41 GLU H H 41 8.422 8.422 8.649 -0.227 25102
1281 1 9 . 1 1 42 42 CYS N N 42 121.478 121.478 118.195 3.283 25102
1282 1 9 . 1 1 42 42 CYS HA H 42 4.774 4.774 4.850 -0.076 25102
1283 1 9 . 1 1 42 42 CYS H H 42 8.562 8.562 8.096 0.466 25102
1284 1 9 . 1 1 43 43 SER N N 43 114.585 114.585 114.870 -0.285 25102
1285 1 9 . 1 1 43 43 SER HA H 43 4.048 4.048 4.326 -0.278 25102
1286 1 9 . 1 1 43 43 SER H H 43 7.905 7.905 8.035 -0.130 25102
1287 1 9 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.611 0.016 25102
1288 1 9 . 1 1 44 44 LEU H H 44 7.920 7.920 8.170 -0.250 25102
1289 1 9 . 1 1 45 45 GLY N N 45 103.239 103.239 106.858 -3.619 25102
1290 1 9 . 1 1 45 45 GLY H H 45 8.158 8.158 8.719 -0.561 25102
1291 1 9 . 1 1 46 46 LYS N N 46 113.276 113.276 117.527 -4.251 25102
1292 1 9 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.287 -0.173 25102
1293 1 9 . 1 1 46 46 LYS H H 46 8.269 8.269 8.380 -0.111 25102
1294 1 9 . 1 1 47 47 ASP N N 47 115.186 115.186 117.129 -1.943 25102
1295 1 9 . 1 1 47 47 ASP HA H 47 4.493 4.493 4.951 -0.458 25102
1296 1 9 . 1 1 47 47 ASP H H 47 8.910 8.910 8.426 0.484 25102
1297 1 9 . 1 1 48 48 VAL N N 48 110.836 110.836 117.801 -6.965 25102
1298 1 9 . 1 1 48 48 VAL HA H 48 4.607 4.607 4.074 0.533 25102
1299 1 9 . 1 1 48 48 VAL H H 48 7.756 7.756 8.051 -0.295 25102
1300 1 9 . 1 1 49 49 PHE N N 49 124.366 124.366 121.113 3.253 25102
1301 1 9 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.116 0.753 25102
1302 1 9 . 1 1 49 49 PHE H H 49 8.064 8.064 8.086 -0.022 25102
1303 1 9 . 1 1 50 50 GLU N N 50 120.147 120.147 123.402 -3.255 25102
1304 1 9 . 1 1 50 50 GLU HA H 50 4.619 4.619 4.079 0.540 25102
1305 1 9 . 1 1 50 50 GLU H H 50 8.729 8.729 8.062 0.667 25102
1306 1 9 . 1 1 51 51 GLU N N 51 123.941 123.941 117.102 6.839 25102
1307 1 9 . 1 1 51 51 GLU HA H 51 4.753 4.753 4.249 0.504 25102
1308 1 9 . 1 1 51 51 GLU H H 51 8.739 8.739 8.550 0.189 25102
1309 1 9 . 1 1 52 52 LEU N N 52 126.863 126.863 121.292 5.571 25102
1310 1 9 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.497 -0.185 25102
1311 1 9 . 1 1 52 52 LEU H H 52 8.207 8.207 8.033 0.174 25102
1312 1 9 . 1 1 53 53 ALA N N 53 128.679 128.679 122.265 6.414 25102
1313 1 9 . 1 1 53 53 ALA HA H 53 4.259 4.259 4.959 -0.700 25102
1314 1 9 . 1 1 53 53 ALA H H 53 8.494 8.494 7.853 0.641 25102
1315 1 9 . 1 1 54 54 SER N N 54 113.369 113.369 115.740 -2.371 25102
1316 1 9 . 1 1 54 54 SER HA H 54 4.706 4.706 4.188 0.518 25102
1317 1 9 . 1 1 54 54 SER H H 54 8.893 8.893 8.785 0.108 25102
1318 1 9 . 1 1 55 55 GLU N N 55 115.612 115.612 124.697 -9.085 25102
1319 1 9 . 1 1 55 55 GLU HA H 55 3.776 3.776 4.411 -0.635 25102
1320 1 9 . 1 1 55 55 GLU H H 55 8.296 8.296 8.258 0.038 25102
1321 1 9 . 1 1 56 56 ALA N N 56 125.675 125.675 123.147 2.528 25102
1322 1 9 . 1 1 56 56 ALA HA H 56 4.223 4.223 4.456 -0.233 25102
1323 1 9 . 1 1 56 56 ALA H H 56 8.185 8.185 8.220 -0.035 25102
1324 1 10 . 1 1 2 2 PRO HA H 2 4.475 4.475 4.732 -0.257 25102
1325 1 10 . 1 1 3 3 ARG N N 3 117.071 117.071 117.865 -0.794 25102
1326 1 10 . 1 1 3 3 ARG HA H 3 4.625 4.625 5.098 -0.472 25102
1327 1 10 . 1 1 3 3 ARG H H 3 8.107 8.107 8.095 0.012 25102
1328 1 10 . 1 1 4 4 MET N N 4 117.614 117.614 119.726 -2.112 25102
1329 1 10 . 1 1 4 4 MET HA H 4 5.110 5.110 4.691 0.419 25102
1330 1 10 . 1 1 4 4 MET H H 4 8.381 8.381 8.405 -0.024 25102
1331 1 10 . 1 1 5 5 GLN N N 5 122.654 122.654 115.767 6.887 25102
1332 1 10 . 1 1 5 5 GLN HA H 5 5.037 5.037 4.888 0.149 25102
1333 1 10 . 1 1 5 5 GLN H H 5 9.675 9.675 8.137 1.538 25102
1334 1 10 . 1 1 6 6 CYS N N 6 135.155 135.155 123.469 11.686 25102
1335 1 10 . 1 1 6 6 CYS HA H 6 2.658 2.658 3.968 -1.310 25102
1336 1 10 . 1 1 6 6 CYS H H 6 9.415 9.415 8.223 1.192 25102
1337 1 10 . 1 1 7 7 SER N N 7 125.596 125.596 120.628 4.968 25102
1338 1 10 . 1 1 7 7 SER HA H 7 4.167 4.167 4.687 -0.520 25102
1339 1 10 . 1 1 7 7 SER H H 7 8.147 8.147 8.424 -0.277 25102
1340 1 10 . 1 1 8 8 VAL N N 8 128.046 128.046 122.914 5.132 25102
1341 1 10 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.125 -0.258 25102
1342 1 10 . 1 1 8 8 VAL H H 8 9.074 9.074 8.152 0.922 25102
1343 1 10 . 1 1 9 9 CYS N N 9 124.350 124.350 118.505 5.845 25102
1344 1 10 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.620 0.257 25102
1345 1 10 . 1 1 9 9 CYS H H 9 9.443 9.443 8.088 1.355 25102
1346 1 10 . 1 1 10 10 GLN N N 10 115.176 115.176 119.325 -4.149 25102
1347 1 10 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.188 -0.196 25102
1348 1 10 . 1 1 10 10 GLN H H 10 7.596 7.596 7.996 -0.400 25102
1349 1 10 . 1 1 11 11 TRP N N 11 128.644 128.644 122.653 5.991 25102
1350 1 10 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.925 -0.827 25102
1351 1 10 . 1 1 11 11 TRP H H 11 9.200 9.200 8.142 1.058 25102
1352 1 10 . 1 1 12 12 ILE N N 12 125.601 125.601 128.210 -2.609 25102
1353 1 10 . 1 1 12 12 ILE HA H 12 4.314 4.314 4.219 0.095 25102
1354 1 10 . 1 1 12 12 ILE H H 12 6.788 6.788 8.227 -1.439 25102
1355 1 10 . 1 1 13 13 TYR N N 13 126.171 126.171 129.367 -3.196 25102
1356 1 10 . 1 1 13 13 TYR HA H 13 3.877 3.877 3.970 -0.093 25102
1357 1 10 . 1 1 13 13 TYR H H 13 8.986 8.986 8.017 0.969 25102
1358 1 10 . 1 1 14 14 ASP N N 14 129.316 129.316 129.947 -0.631 25102
1359 1 10 . 1 1 14 14 ASP HA H 14 4.835 4.835 4.978 -0.143 25102
1360 1 10 . 1 1 14 14 ASP H H 14 8.569 8.569 7.965 0.604 25102
1361 1 10 . 1 1 15 15 PRO HA H 15 3.972 3.972 4.169 -0.197 25102
1362 1 10 . 1 1 16 16 ALA N N 16 117.037 117.037 117.716 -0.679 25102
1363 1 10 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.195 -0.347 25102
1364 1 10 . 1 1 16 16 ALA H H 16 7.923 7.923 7.871 0.052 25102
1365 1 10 . 1 1 17 17 LYS N N 17 115.236 115.236 115.481 -0.245 25102
1366 1 10 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.555 -0.301 25102
1367 1 10 . 1 1 17 17 LYS H H 17 7.635 7.635 8.104 -0.469 25102
1368 1 10 . 1 1 18 18 GLY N N 18 105.765 105.765 109.470 -3.705 25102
1369 1 10 . 1 1 18 18 GLY H H 18 7.865 7.865 8.160 -0.295 25102
1370 1 10 . 1 1 19 19 GLU N N 19 122.724 122.724 120.835 1.889 25102
1371 1 10 . 1 1 19 19 GLU HA H 19 5.079 5.079 4.942 0.137 25102
1372 1 10 . 1 1 19 19 GLU H H 19 9.072 9.072 8.404 0.668 25102
1373 1 10 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.443 -0.245 25102
1374 1 10 . 1 1 21 21 MET N N 21 120.818 120.818 115.920 4.898 25102
1375 1 10 . 1 1 21 21 MET HA H 21 4.259 4.259 4.697 -0.438 25102
1376 1 10 . 1 1 21 21 MET H H 21 9.643 9.643 7.764 1.879 25102
1377 1 10 . 1 1 22 22 GLN N N 22 118.335 118.335 120.217 -1.882 25102
1378 1 10 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.522 -0.067 25102
1379 1 10 . 1 1 22 22 GLN H H 22 7.656 7.656 7.797 -0.141 25102
1380 1 10 . 1 1 23 23 ASP N N 23 115.262 115.262 117.146 -1.884 25102
1381 1 10 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.497 -0.333 25102
1382 1 10 . 1 1 23 23 ASP H H 23 7.757 7.757 8.556 -0.799 25102
1383 1 10 . 1 1 24 24 VAL N N 24 119.478 119.478 118.496 0.982 25102
1384 1 10 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.261 -0.098 25102
1385 1 10 . 1 1 24 24 VAL H H 24 7.534 7.534 7.528 0.006 25102
1386 1 10 . 1 1 25 25 ALA N N 25 132.445 132.445 129.817 2.628 25102
1387 1 10 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.789 -0.389 25102
1388 1 10 . 1 1 25 25 ALA H H 25 8.565 8.565 8.343 0.222 25102
1389 1 10 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.230 -0.566 25102
1390 1 10 . 1 1 27 27 GLY N N 27 106.448 106.448 107.381 -0.933 25102
1391 1 10 . 1 1 27 27 GLY H H 27 8.200 8.200 8.590 -0.390 25102
1392 1 10 . 1 1 28 28 THR N N 28 118.305 118.305 116.042 2.263 25102
1393 1 10 . 1 1 28 28 THR HA H 28 4.355 4.355 4.588 -0.233 25102
1394 1 10 . 1 1 28 28 THR H H 28 7.251 7.251 7.803 -0.552 25102
1395 1 10 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.608 0.076 25102
1396 1 10 . 1 1 30 30 TRP N N 30 123.786 123.786 126.566 -2.780 25102
1397 1 10 . 1 1 30 30 TRP HA H 30 3.957 3.957 4.035 -0.078 25102
1398 1 10 . 1 1 30 30 TRP H H 30 9.563 9.563 8.826 0.737 25102
1399 1 10 . 1 1 31 31 SER N N 31 111.431 111.431 114.407 -2.976 25102
1400 1 10 . 1 1 31 31 SER HA H 31 3.859 3.859 4.086 -0.227 25102
1401 1 10 . 1 1 31 31 SER H H 31 8.443 8.443 8.092 0.351 25102
1402 1 10 . 1 1 32 32 GLU N N 32 119.555 119.555 119.255 0.300 25102
1403 1 10 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.118 0.051 25102
1404 1 10 . 1 1 32 32 GLU H H 32 7.594 7.594 8.024 -0.430 25102
1405 1 10 . 1 1 33 33 VAL N N 33 125.616 125.616 121.329 4.287 25102
1406 1 10 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.703 -0.166 25102
1407 1 10 . 1 1 33 33 VAL H H 33 7.063 7.063 7.700 -0.637 25102
1408 1 10 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.314 -0.159 25102
1409 1 10 . 1 1 35 35 ASP N N 35 118.884 118.884 120.943 -2.059 25102
1410 1 10 . 1 1 35 35 ASP HA H 35 4.053 4.053 4.424 -0.371 25102
1411 1 10 . 1 1 35 35 ASP H H 35 8.381 8.381 8.370 0.011 25102
1412 1 10 . 1 1 36 36 ASN N N 36 115.350 115.350 121.483 -6.133 25102
1413 1 10 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.533 0.021 25102
1414 1 10 . 1 1 36 36 ASN H H 36 7.864 7.864 8.002 -0.138 25102
1415 1 10 . 1 1 37 37 PHE N N 37 122.004 122.004 121.736 0.268 25102
1416 1 10 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.231 -0.367 25102
1417 1 10 . 1 1 37 37 PHE H H 37 7.397 7.397 8.212 -0.815 25102
1418 1 10 . 1 1 38 38 LEU N N 38 127.420 127.420 129.719 -2.299 25102
1419 1 10 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.641 0.083 25102
1420 1 10 . 1 1 38 38 LEU H H 38 7.907 7.907 7.830 0.077 25102
1421 1 10 . 1 1 39 39 CYS N N 39 125.807 125.807 125.198 0.609 25102
1422 1 10 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.226 -0.172 25102
1423 1 10 . 1 1 39 39 CYS H H 39 9.568 9.568 8.363 1.205 25102
1424 1 10 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.178 -0.299 25102
1425 1 10 . 1 1 41 41 GLU N N 41 120.864 120.864 116.194 4.670 25102
1426 1 10 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.382 -0.058 25102
1427 1 10 . 1 1 41 41 GLU H H 41 8.422 8.422 8.342 0.080 25102
1428 1 10 . 1 1 42 42 CYS N N 42 121.478 121.478 116.551 4.927 25102
1429 1 10 . 1 1 42 42 CYS HA H 42 4.774 4.774 4.596 0.178 25102
1430 1 10 . 1 1 42 42 CYS H H 42 8.562 8.562 7.453 1.109 25102
1431 1 10 . 1 1 43 43 SER N N 43 114.585 114.585 117.862 -3.277 25102
1432 1 10 . 1 1 43 43 SER HA H 43 4.048 4.048 4.084 -0.036 25102
1433 1 10 . 1 1 43 43 SER H H 43 7.905 7.905 8.242 -0.337 25102
1434 1 10 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.626 0.001 25102
1435 1 10 . 1 1 44 44 LEU H H 44 7.920 7.920 7.824 0.096 25102
1436 1 10 . 1 1 45 45 GLY N N 45 103.239 103.239 110.390 -7.151 25102
1437 1 10 . 1 1 45 45 GLY H H 45 8.158 8.158 8.713 -0.555 25102
1438 1 10 . 1 1 46 46 LYS N N 46 113.276 113.276 117.831 -4.555 25102
1439 1 10 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.694 -0.580 25102
1440 1 10 . 1 1 46 46 LYS H H 46 8.269 8.269 8.473 -0.204 25102
1441 1 10 . 1 1 47 47 ASP N N 47 115.186 115.186 119.301 -4.115 25102
1442 1 10 . 1 1 47 47 ASP HA H 47 4.493 4.493 4.616 -0.123 25102
1443 1 10 . 1 1 47 47 ASP H H 47 8.910 8.910 8.204 0.706 25102
1444 1 10 . 1 1 48 48 VAL N N 48 110.836 110.836 119.581 -8.745 25102
1445 1 10 . 1 1 48 48 VAL HA H 48 4.607 4.607 3.912 0.695 25102
1446 1 10 . 1 1 48 48 VAL H H 48 7.756 7.756 8.075 -0.319 25102
1447 1 10 . 1 1 49 49 PHE N N 49 124.366 124.366 117.558 6.808 25102
1448 1 10 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.127 0.742 25102
1449 1 10 . 1 1 49 49 PHE H H 49 8.064 8.064 8.641 -0.577 25102
1450 1 10 . 1 1 50 50 GLU N N 50 120.147 120.147 121.821 -1.674 25102
1451 1 10 . 1 1 50 50 GLU HA H 50 4.619 4.619 4.443 0.176 25102
1452 1 10 . 1 1 50 50 GLU H H 50 8.729 8.729 8.203 0.526 25102
1453 1 10 . 1 1 51 51 GLU N N 51 123.941 123.941 117.353 6.588 25102
1454 1 10 . 1 1 51 51 GLU HA H 51 4.753 4.753 4.030 0.723 25102
1455 1 10 . 1 1 51 51 GLU H H 51 8.739 8.739 8.449 0.290 25102
1456 1 10 . 1 1 52 52 LEU N N 52 126.863 126.863 113.162 13.701 25102
1457 1 10 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.688 -0.376 25102
1458 1 10 . 1 1 52 52 LEU H H 52 8.207 8.207 8.392 -0.185 25102
1459 1 10 . 1 1 53 53 ALA N N 53 128.679 128.679 118.356 10.323 25102
1460 1 10 . 1 1 53 53 ALA HA H 53 4.259 4.259 5.045 -0.786 25102
1461 1 10 . 1 1 53 53 ALA H H 53 8.494 8.494 8.193 0.301 25102
1462 1 10 . 1 1 54 54 SER N N 54 113.369 113.369 114.620 -1.251 25102
1463 1 10 . 1 1 54 54 SER HA H 54 4.706 4.706 4.224 0.482 25102
1464 1 10 . 1 1 54 54 SER H H 54 8.893 8.893 8.755 0.138 25102
1465 1 10 . 1 1 55 55 GLU N N 55 115.612 115.612 119.010 -3.398 25102
1466 1 10 . 1 1 55 55 GLU HA H 55 3.776 3.776 3.970 -0.194 25102
1467 1 10 . 1 1 55 55 GLU H H 55 8.296 8.296 8.980 -0.684 25102
1468 1 10 . 1 1 56 56 ALA N N 56 125.675 125.675 120.817 4.858 25102
1469 1 10 . 1 1 56 56 ALA HA H 56 4.223 4.223 3.981 0.242 25102
1470 1 10 . 1 1 56 56 ALA H H 56 8.185 8.185 7.861 0.324 25102
1471 1 11 . 1 1 2 2 PRO HA H 2 4.475 4.475 4.578 -0.103 25102
1472 1 11 . 1 1 3 3 ARG N N 3 117.071 117.071 121.439 -4.368 25102
1473 1 11 . 1 1 3 3 ARG HA H 3 4.625 4.625 5.158 -0.533 25102
1474 1 11 . 1 1 3 3 ARG H H 3 8.107 8.107 8.224 -0.117 25102
1475 1 11 . 1 1 4 4 MET N N 4 117.614 117.614 121.171 -3.557 25102
1476 1 11 . 1 1 4 4 MET HA H 4 5.110 5.110 4.586 0.524 25102
1477 1 11 . 1 1 4 4 MET H H 4 8.381 8.381 8.562 -0.181 25102
1478 1 11 . 1 1 5 5 GLN N N 5 122.654 122.654 117.281 5.373 25102
1479 1 11 . 1 1 5 5 GLN HA H 5 5.037 5.037 4.650 0.387 25102
1480 1 11 . 1 1 5 5 GLN H H 5 9.675 9.675 8.472 1.203 25102
1481 1 11 . 1 1 6 6 CYS N N 6 135.155 135.155 121.654 13.501 25102
1482 1 11 . 1 1 6 6 CYS HA H 6 2.658 2.658 3.974 -1.316 25102
1483 1 11 . 1 1 6 6 CYS H H 6 9.415 9.415 8.282 1.133 25102
1484 1 11 . 1 1 7 7 SER N N 7 125.596 125.596 121.637 3.959 25102
1485 1 11 . 1 1 7 7 SER HA H 7 4.167 4.167 4.476 -0.309 25102
1486 1 11 . 1 1 7 7 SER H H 7 8.147 8.147 8.790 -0.643 25102
1487 1 11 . 1 1 8 8 VAL N N 8 128.046 128.046 120.997 7.049 25102
1488 1 11 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.237 -0.370 25102
1489 1 11 . 1 1 8 8 VAL H H 8 9.074 9.074 7.652 1.422 25102
1490 1 11 . 1 1 9 9 CYS N N 9 124.350 124.350 116.953 7.397 25102
1491 1 11 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.895 -0.018 25102
1492 1 11 . 1 1 9 9 CYS H H 9 9.443 9.443 7.831 1.612 25102
1493 1 11 . 1 1 10 10 GLN N N 10 115.176 115.176 120.628 -5.452 25102
1494 1 11 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.051 -0.059 25102
1495 1 11 . 1 1 10 10 GLN H H 10 7.596 7.596 7.922 -0.326 25102
1496 1 11 . 1 1 11 11 TRP N N 11 128.644 128.644 127.550 1.094 25102
1497 1 11 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.932 -0.834 25102
1498 1 11 . 1 1 11 11 TRP H H 11 9.200 9.200 7.700 1.500 25102
1499 1 11 . 1 1 12 12 ILE N N 12 125.601 125.601 129.360 -3.759 25102
1500 1 11 . 1 1 12 12 ILE HA H 12 4.314 4.314 4.387 -0.073 25102
1501 1 11 . 1 1 12 12 ILE H H 12 6.788 6.788 8.337 -1.549 25102
1502 1 11 . 1 1 13 13 TYR N N 13 126.171 126.171 130.920 -4.749 25102
1503 1 11 . 1 1 13 13 TYR HA H 13 3.877 3.877 4.188 -0.311 25102
1504 1 11 . 1 1 13 13 TYR H H 13 8.986 8.986 8.224 0.762 25102
1505 1 11 . 1 1 14 14 ASP N N 14 129.316 129.316 128.532 0.784 25102
1506 1 11 . 1 1 14 14 ASP HA H 14 4.835 4.835 4.863 -0.028 25102
1507 1 11 . 1 1 14 14 ASP H H 14 8.569 8.569 7.774 0.795 25102
1508 1 11 . 1 1 15 15 PRO HA H 15 3.972 3.972 4.019 -0.047 25102
1509 1 11 . 1 1 16 16 ALA N N 16 117.037 117.037 117.917 -0.880 25102
1510 1 11 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.259 -0.411 25102
1511 1 11 . 1 1 16 16 ALA H H 16 7.923 7.923 8.346 -0.423 25102
1512 1 11 . 1 1 17 17 LYS N N 17 115.236 115.236 115.797 -0.561 25102
1513 1 11 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.489 -0.235 25102
1514 1 11 . 1 1 17 17 LYS H H 17 7.635 7.635 8.072 -0.437 25102
1515 1 11 . 1 1 18 18 GLY N N 18 105.765 105.765 110.513 -4.748 25102
1516 1 11 . 1 1 18 18 GLY H H 18 7.865 7.865 8.158 -0.293 25102
1517 1 11 . 1 1 19 19 GLU N N 19 122.724 122.724 120.368 2.356 25102
1518 1 11 . 1 1 19 19 GLU HA H 19 5.079 5.079 4.914 0.165 25102
1519 1 11 . 1 1 19 19 GLU H H 19 9.072 9.072 8.267 0.805 25102
1520 1 11 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.439 -0.241 25102
1521 1 11 . 1 1 21 21 MET N N 21 120.818 120.818 116.514 4.304 25102
1522 1 11 . 1 1 21 21 MET HA H 21 4.259 4.259 4.707 -0.448 25102
1523 1 11 . 1 1 21 21 MET H H 21 9.643 9.643 7.812 1.831 25102
1524 1 11 . 1 1 22 22 GLN N N 22 118.335 118.335 120.228 -1.893 25102
1525 1 11 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.470 -0.015 25102
1526 1 11 . 1 1 22 22 GLN H H 22 7.656 7.656 7.830 -0.174 25102
1527 1 11 . 1 1 23 23 ASP N N 23 115.262 115.262 117.277 -2.015 25102
1528 1 11 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.479 -0.315 25102
1529 1 11 . 1 1 23 23 ASP H H 23 7.757 7.757 8.404 -0.647 25102
1530 1 11 . 1 1 24 24 VAL N N 24 119.478 119.478 118.751 0.727 25102
1531 1 11 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.315 -0.152 25102
1532 1 11 . 1 1 24 24 VAL H H 24 7.534 7.534 7.507 0.027 25102
1533 1 11 . 1 1 25 25 ALA N N 25 132.445 132.445 128.233 4.212 25102
1534 1 11 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.632 -0.232 25102
1535 1 11 . 1 1 25 25 ALA H H 25 8.565 8.565 8.356 0.209 25102
1536 1 11 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.252 -0.588 25102
1537 1 11 . 1 1 27 27 GLY N N 27 106.448 106.448 108.258 -1.810 25102
1538 1 11 . 1 1 27 27 GLY H H 27 8.200 8.200 8.653 -0.453 25102
1539 1 11 . 1 1 28 28 THR N N 28 118.305 118.305 116.496 1.809 25102
1540 1 11 . 1 1 28 28 THR HA H 28 4.355 4.355 4.564 -0.209 25102
1541 1 11 . 1 1 28 28 THR H H 28 7.251 7.251 7.841 -0.590 25102
1542 1 11 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.283 0.401 25102
1543 1 11 . 1 1 30 30 TRP N N 30 123.786 123.786 125.904 -2.118 25102
1544 1 11 . 1 1 30 30 TRP HA H 30 3.957 3.957 4.042 -0.085 25102
1545 1 11 . 1 1 30 30 TRP H H 30 9.563 9.563 8.536 1.027 25102
1546 1 11 . 1 1 31 31 SER N N 31 111.431 111.431 112.355 -0.924 25102
1547 1 11 . 1 1 31 31 SER HA H 31 3.859 3.859 4.002 -0.143 25102
1548 1 11 . 1 1 31 31 SER H H 31 8.443 8.443 7.980 0.463 25102
1549 1 11 . 1 1 32 32 GLU N N 32 119.555 119.555 120.054 -0.499 25102
1550 1 11 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.099 0.070 25102
1551 1 11 . 1 1 32 32 GLU H H 32 7.594 7.594 7.843 -0.249 25102
1552 1 11 . 1 1 33 33 VAL N N 33 125.616 125.616 122.004 3.612 25102
1553 1 11 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.657 -0.120 25102
1554 1 11 . 1 1 33 33 VAL H H 33 7.063 7.063 7.515 -0.452 25102
1555 1 11 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.326 -0.171 25102
1556 1 11 . 1 1 35 35 ASP N N 35 118.884 118.884 117.466 1.418 25102
1557 1 11 . 1 1 35 35 ASP HA H 35 4.053 4.053 4.383 -0.330 25102
1558 1 11 . 1 1 35 35 ASP H H 35 8.381 8.381 8.482 -0.101 25102
1559 1 11 . 1 1 36 36 ASN N N 36 115.350 115.350 116.117 -0.767 25102
1560 1 11 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.802 -0.248 25102
1561 1 11 . 1 1 36 36 ASN H H 36 7.864 7.864 8.181 -0.317 25102
1562 1 11 . 1 1 37 37 PHE N N 37 122.004 122.004 120.496 1.508 25102
1563 1 11 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.656 -0.792 25102
1564 1 11 . 1 1 37 37 PHE H H 37 7.397 7.397 7.410 -0.013 25102
1565 1 11 . 1 1 38 38 LEU N N 38 127.420 127.420 127.169 0.251 25102
1566 1 11 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.519 0.205 25102
1567 1 11 . 1 1 38 38 LEU H H 38 7.907 7.907 7.664 0.243 25102
1568 1 11 . 1 1 39 39 CYS N N 39 125.807 125.807 124.505 1.302 25102
1569 1 11 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.116 -0.062 25102
1570 1 11 . 1 1 39 39 CYS H H 39 9.568 9.568 8.867 0.701 25102
1571 1 11 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.142 -0.263 25102
1572 1 11 . 1 1 41 41 GLU N N 41 120.864 120.864 116.215 4.649 25102
1573 1 11 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.357 -0.033 25102
1574 1 11 . 1 1 41 41 GLU H H 41 8.422 8.422 8.536 -0.114 25102
1575 1 11 . 1 1 42 42 CYS N N 42 121.478 121.478 117.449 4.029 25102
1576 1 11 . 1 1 42 42 CYS HA H 42 4.774 4.774 4.946 -0.172 25102
1577 1 11 . 1 1 42 42 CYS H H 42 8.562 8.562 7.960 0.602 25102
1578 1 11 . 1 1 43 43 SER N N 43 114.585 114.585 117.467 -2.882 25102
1579 1 11 . 1 1 43 43 SER HA H 43 4.048 4.048 3.921 0.127 25102
1580 1 11 . 1 1 43 43 SER H H 43 7.905 7.905 8.557 -0.652 25102
1581 1 11 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.122 0.505 25102
1582 1 11 . 1 1 44 44 LEU H H 44 7.920 7.920 8.043 -0.123 25102
1583 1 11 . 1 1 45 45 GLY N N 45 103.239 103.239 107.895 -4.656 25102
1584 1 11 . 1 1 45 45 GLY H H 45 8.158 8.158 8.275 -0.117 25102
1585 1 11 . 1 1 46 46 LYS N N 46 113.276 113.276 118.282 -5.006 25102
1586 1 11 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.127 -0.013 25102
1587 1 11 . 1 1 46 46 LYS H H 46 8.269 8.269 8.634 -0.365 25102
1588 1 11 . 1 1 47 47 ASP N N 47 115.186 115.186 117.393 -2.207 25102
1589 1 11 . 1 1 47 47 ASP HA H 47 4.493 4.493 4.942 -0.449 25102
1590 1 11 . 1 1 47 47 ASP H H 47 8.910 8.910 8.376 0.534 25102
1591 1 11 . 1 1 48 48 VAL N N 48 110.836 110.836 117.079 -6.243 25102
1592 1 11 . 1 1 48 48 VAL HA H 48 4.607 4.607 4.205 0.402 25102
1593 1 11 . 1 1 48 48 VAL H H 48 7.756 7.756 7.818 -0.062 25102
1594 1 11 . 1 1 49 49 PHE N N 49 124.366 124.366 121.485 2.881 25102
1595 1 11 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.124 0.745 25102
1596 1 11 . 1 1 49 49 PHE H H 49 8.064 8.064 8.328 -0.264 25102
1597 1 11 . 1 1 50 50 GLU N N 50 120.147 120.147 122.455 -2.308 25102
1598 1 11 . 1 1 50 50 GLU HA H 50 4.619 4.619 4.040 0.579 25102
1599 1 11 . 1 1 50 50 GLU H H 50 8.729 8.729 8.470 0.259 25102
1600 1 11 . 1 1 51 51 GLU N N 51 123.941 123.941 117.511 6.430 25102
1601 1 11 . 1 1 51 51 GLU HA H 51 4.753 4.753 4.085 0.668 25102
1602 1 11 . 1 1 51 51 GLU H H 51 8.739 8.739 8.354 0.385 25102
1603 1 11 . 1 1 52 52 LEU N N 52 126.863 126.863 122.450 4.413 25102
1604 1 11 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.537 -0.225 25102
1605 1 11 . 1 1 52 52 LEU H H 52 8.207 8.207 7.444 0.763 25102
1606 1 11 . 1 1 53 53 ALA N N 53 128.679 128.679 124.070 4.609 25102
1607 1 11 . 1 1 53 53 ALA HA H 53 4.259 4.259 5.178 -0.919 25102
1608 1 11 . 1 1 53 53 ALA H H 53 8.494 8.494 7.978 0.516 25102
1609 1 11 . 1 1 54 54 SER N N 54 113.369 113.369 115.445 -2.076 25102
1610 1 11 . 1 1 54 54 SER HA H 54 4.706 4.706 4.185 0.521 25102
1611 1 11 . 1 1 54 54 SER H H 54 8.893 8.893 9.025 -0.132 25102
1612 1 11 . 1 1 55 55 GLU N N 55 115.612 115.612 125.891 -10.279 25102
1613 1 11 . 1 1 55 55 GLU HA H 55 3.776 3.776 4.227 -0.451 25102
1614 1 11 . 1 1 55 55 GLU H H 55 8.296 8.296 8.431 -0.135 25102
1615 1 11 . 1 1 56 56 ALA N N 56 125.675 125.675 129.258 -3.583 25102
1616 1 11 . 1 1 56 56 ALA HA H 56 4.223 4.223 4.260 -0.037 25102
1617 1 11 . 1 1 56 56 ALA H H 56 8.185 8.185 8.486 -0.301 25102
1618 1 12 . 1 1 2 2 PRO HA H 2 4.475 4.475 4.725 -0.250 25102
1619 1 12 . 1 1 3 3 ARG N N 3 117.071 117.071 120.344 -3.273 25102
1620 1 12 . 1 1 3 3 ARG HA H 3 4.625 4.625 5.278 -0.653 25102
1621 1 12 . 1 1 3 3 ARG H H 3 8.107 8.107 8.452 -0.345 25102
1622 1 12 . 1 1 4 4 MET N N 4 117.614 117.614 119.940 -2.326 25102
1623 1 12 . 1 1 4 4 MET HA H 4 5.110 5.110 4.680 0.430 25102
1624 1 12 . 1 1 4 4 MET H H 4 8.381 8.381 8.242 0.139 25102
1625 1 12 . 1 1 5 5 GLN N N 5 122.654 122.654 117.345 5.309 25102
1626 1 12 . 1 1 5 5 GLN HA H 5 5.037 5.037 5.573 -0.536 25102
1627 1 12 . 1 1 5 5 GLN H H 5 9.675 9.675 8.199 1.476 25102
1628 1 12 . 1 1 6 6 CYS N N 6 135.155 135.155 119.386 15.769 25102
1629 1 12 . 1 1 6 6 CYS HA H 6 2.658 2.658 4.407 -1.749 25102
1630 1 12 . 1 1 6 6 CYS H H 6 9.415 9.415 8.564 0.851 25102
1631 1 12 . 1 1 7 7 SER N N 7 125.596 125.596 121.672 3.924 25102
1632 1 12 . 1 1 7 7 SER HA H 7 4.167 4.167 4.393 -0.226 25102
1633 1 12 . 1 1 7 7 SER H H 7 8.147 8.147 8.787 -0.640 25102
1634 1 12 . 1 1 8 8 VAL N N 8 128.046 128.046 120.477 7.569 25102
1635 1 12 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.216 -0.349 25102
1636 1 12 . 1 1 8 8 VAL H H 8 9.074 9.074 8.261 0.813 25102
1637 1 12 . 1 1 9 9 CYS N N 9 124.350 124.350 117.612 6.738 25102
1638 1 12 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.748 0.129 25102
1639 1 12 . 1 1 9 9 CYS H H 9 9.443 9.443 8.429 1.014 25102
1640 1 12 . 1 1 10 10 GLN N N 10 115.176 115.176 119.158 -3.982 25102
1641 1 12 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.108 -0.116 25102
1642 1 12 . 1 1 10 10 GLN H H 10 7.596 7.596 8.294 -0.698 25102
1643 1 12 . 1 1 11 11 TRP N N 11 128.644 128.644 121.531 7.113 25102
1644 1 12 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.898 -0.800 25102
1645 1 12 . 1 1 11 11 TRP H H 11 9.200 9.200 7.794 1.406 25102
1646 1 12 . 1 1 12 12 ILE N N 12 125.601 125.601 128.485 -2.884 25102
1647 1 12 . 1 1 12 12 ILE HA H 12 4.314 4.314 4.463 -0.149 25102
1648 1 12 . 1 1 12 12 ILE H H 12 6.788 6.788 8.327 -1.539 25102
1649 1 12 . 1 1 13 13 TYR N N 13 126.171 126.171 130.351 -4.180 25102
1650 1 12 . 1 1 13 13 TYR HA H 13 3.877 3.877 3.934 -0.057 25102
1651 1 12 . 1 1 13 13 TYR H H 13 8.986 8.986 8.823 0.163 25102
1652 1 12 . 1 1 14 14 ASP N N 14 129.316 129.316 129.057 0.259 25102
1653 1 12 . 1 1 14 14 ASP HA H 14 4.835 4.835 4.867 -0.032 25102
1654 1 12 . 1 1 14 14 ASP H H 14 8.569 8.569 7.980 0.589 25102
1655 1 12 . 1 1 15 15 PRO HA H 15 3.972 3.972 4.112 -0.140 25102
1656 1 12 . 1 1 16 16 ALA N N 16 117.037 117.037 119.306 -2.269 25102
1657 1 12 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.111 -0.263 25102
1658 1 12 . 1 1 16 16 ALA H H 16 7.923 7.923 7.971 -0.048 25102
1659 1 12 . 1 1 17 17 LYS N N 17 115.236 115.236 114.788 0.448 25102
1660 1 12 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.544 -0.290 25102
1661 1 12 . 1 1 17 17 LYS H H 17 7.635 7.635 7.938 -0.303 25102
1662 1 12 . 1 1 18 18 GLY N N 18 105.765 105.765 109.856 -4.091 25102
1663 1 12 . 1 1 18 18 GLY H H 18 7.865 7.865 8.256 -0.391 25102
1664 1 12 . 1 1 19 19 GLU N N 19 122.724 122.724 120.766 1.958 25102
1665 1 12 . 1 1 19 19 GLU HA H 19 5.079 5.079 4.916 0.163 25102
1666 1 12 . 1 1 19 19 GLU H H 19 9.072 9.072 8.120 0.952 25102
1667 1 12 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.546 -0.348 25102
1668 1 12 . 1 1 21 21 MET N N 21 120.818 120.818 116.401 4.417 25102
1669 1 12 . 1 1 21 21 MET HA H 21 4.259 4.259 4.747 -0.488 25102
1670 1 12 . 1 1 21 21 MET H H 21 9.643 9.643 7.864 1.779 25102
1671 1 12 . 1 1 22 22 GLN N N 22 118.335 118.335 120.420 -2.085 25102
1672 1 12 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.475 -0.020 25102
1673 1 12 . 1 1 22 22 GLN H H 22 7.656 7.656 7.932 -0.276 25102
1674 1 12 . 1 1 23 23 ASP N N 23 115.262 115.262 115.307 -0.045 25102
1675 1 12 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.487 -0.323 25102
1676 1 12 . 1 1 23 23 ASP H H 23 7.757 7.757 8.399 -0.642 25102
1677 1 12 . 1 1 24 24 VAL N N 24 119.478 119.478 119.345 0.133 25102
1678 1 12 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.356 -0.193 25102
1679 1 12 . 1 1 24 24 VAL H H 24 7.534 7.534 7.658 -0.124 25102
1680 1 12 . 1 1 25 25 ALA N N 25 132.445 132.445 128.704 3.741 25102
1681 1 12 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.498 -0.098 25102
1682 1 12 . 1 1 25 25 ALA H H 25 8.565 8.565 8.226 0.339 25102
1683 1 12 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.205 -0.541 25102
1684 1 12 . 1 1 27 27 GLY N N 27 106.448 106.448 107.180 -0.732 25102
1685 1 12 . 1 1 27 27 GLY H H 27 8.200 8.200 8.837 -0.637 25102
1686 1 12 . 1 1 28 28 THR N N 28 118.305 118.305 115.376 2.929 25102
1687 1 12 . 1 1 28 28 THR HA H 28 4.355 4.355 4.558 -0.203 25102
1688 1 12 . 1 1 28 28 THR H H 28 7.251 7.251 7.916 -0.665 25102
1689 1 12 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.573 0.111 25102
1690 1 12 . 1 1 30 30 TRP N N 30 123.786 123.786 125.690 -1.904 25102
1691 1 12 . 1 1 30 30 TRP HA H 30 3.957 3.957 4.053 -0.096 25102
1692 1 12 . 1 1 30 30 TRP H H 30 9.563 9.563 8.696 0.867 25102
1693 1 12 . 1 1 31 31 SER N N 31 111.431 111.431 112.682 -1.251 25102
1694 1 12 . 1 1 31 31 SER HA H 31 3.859 3.859 4.269 -0.410 25102
1695 1 12 . 1 1 31 31 SER H H 31 8.443 8.443 8.129 0.314 25102
1696 1 12 . 1 1 32 32 GLU N N 32 119.555 119.555 120.115 -0.560 25102
1697 1 12 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.134 0.035 25102
1698 1 12 . 1 1 32 32 GLU H H 32 7.594 7.594 8.017 -0.423 25102
1699 1 12 . 1 1 33 33 VAL N N 33 125.616 125.616 122.958 2.658 25102
1700 1 12 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.640 -0.103 25102
1701 1 12 . 1 1 33 33 VAL H H 33 7.063 7.063 7.371 -0.308 25102
1702 1 12 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.295 -0.140 25102
1703 1 12 . 1 1 35 35 ASP N N 35 118.884 118.884 116.608 2.276 25102
1704 1 12 . 1 1 35 35 ASP HA H 35 4.053 4.053 4.413 -0.360 25102
1705 1 12 . 1 1 35 35 ASP H H 35 8.381 8.381 8.357 0.024 25102
1706 1 12 . 1 1 36 36 ASN N N 36 115.350 115.350 117.346 -1.996 25102
1707 1 12 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.732 -0.178 25102
1708 1 12 . 1 1 36 36 ASN H H 36 7.864 7.864 7.894 -0.030 25102
1709 1 12 . 1 1 37 37 PHE N N 37 122.004 122.004 120.704 1.300 25102
1710 1 12 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.814 -0.950 25102
1711 1 12 . 1 1 37 37 PHE H H 37 7.397 7.397 7.866 -0.469 25102
1712 1 12 . 1 1 38 38 LEU N N 38 127.420 127.420 125.150 2.270 25102
1713 1 12 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.804 -0.080 25102
1714 1 12 . 1 1 38 38 LEU H H 38 7.907 7.907 7.436 0.471 25102
1715 1 12 . 1 1 39 39 CYS N N 39 125.807 125.807 123.847 1.960 25102
1716 1 12 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.304 -0.250 25102
1717 1 12 . 1 1 39 39 CYS H H 39 9.568 9.568 9.004 0.564 25102
1718 1 12 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.237 -0.358 25102
1719 1 12 . 1 1 41 41 GLU N N 41 120.864 120.864 116.662 4.202 25102
1720 1 12 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.374 -0.050 25102
1721 1 12 . 1 1 41 41 GLU H H 41 8.422 8.422 8.359 0.063 25102
1722 1 12 . 1 1 42 42 CYS N N 42 121.478 121.478 118.662 2.816 25102
1723 1 12 . 1 1 42 42 CYS HA H 42 4.774 4.774 4.920 -0.146 25102
1724 1 12 . 1 1 42 42 CYS H H 42 8.562 8.562 7.967 0.595 25102
1725 1 12 . 1 1 43 43 SER N N 43 114.585 114.585 116.455 -1.870 25102
1726 1 12 . 1 1 43 43 SER HA H 43 4.048 4.048 4.116 -0.068 25102
1727 1 12 . 1 1 43 43 SER H H 43 7.905 7.905 8.107 -0.202 25102
1728 1 12 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.674 -0.047 25102
1729 1 12 . 1 1 44 44 LEU H H 44 7.920 7.920 7.996 -0.076 25102
1730 1 12 . 1 1 45 45 GLY N N 45 103.239 103.239 105.808 -2.569 25102
1731 1 12 . 1 1 45 45 GLY H H 45 8.158 8.158 8.620 -0.462 25102
1732 1 12 . 1 1 46 46 LYS N N 46 113.276 113.276 118.069 -4.793 25102
1733 1 12 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.349 -0.235 25102
1734 1 12 . 1 1 46 46 LYS H H 46 8.269 8.269 8.253 0.016 25102
1735 1 12 . 1 1 47 47 ASP N N 47 115.186 115.186 117.769 -2.583 25102
1736 1 12 . 1 1 47 47 ASP HA H 47 4.493 4.493 4.770 -0.277 25102
1737 1 12 . 1 1 47 47 ASP H H 47 8.910 8.910 8.470 0.440 25102
1738 1 12 . 1 1 48 48 VAL N N 48 110.836 110.836 118.114 -7.278 25102
1739 1 12 . 1 1 48 48 VAL HA H 48 4.607 4.607 4.171 0.436 25102
1740 1 12 . 1 1 48 48 VAL H H 48 7.756 7.756 7.727 0.029 25102
1741 1 12 . 1 1 49 49 PHE N N 49 124.366 124.366 120.887 3.479 25102
1742 1 12 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.184 0.685 25102
1743 1 12 . 1 1 49 49 PHE H H 49 8.064 8.064 8.263 -0.199 25102
1744 1 12 . 1 1 50 50 GLU N N 50 120.147 120.147 124.238 -4.091 25102
1745 1 12 . 1 1 50 50 GLU HA H 50 4.619 4.619 4.462 0.157 25102
1746 1 12 . 1 1 50 50 GLU H H 50 8.729 8.729 7.838 0.891 25102
1747 1 12 . 1 1 51 51 GLU N N 51 123.941 123.941 115.962 7.979 25102
1748 1 12 . 1 1 51 51 GLU HA H 51 4.753 4.753 3.985 0.768 25102
1749 1 12 . 1 1 51 51 GLU H H 51 8.739 8.739 8.477 0.262 25102
1750 1 12 . 1 1 52 52 LEU N N 52 126.863 126.863 114.454 12.409 25102
1751 1 12 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.675 -0.363 25102
1752 1 12 . 1 1 52 52 LEU H H 52 8.207 8.207 8.387 -0.180 25102
1753 1 12 . 1 1 53 53 ALA N N 53 128.679 128.679 118.188 10.491 25102
1754 1 12 . 1 1 53 53 ALA HA H 53 4.259 4.259 5.129 -0.870 25102
1755 1 12 . 1 1 53 53 ALA H H 53 8.494 8.494 8.182 0.312 25102
1756 1 12 . 1 1 54 54 SER N N 54 113.369 113.369 113.526 -0.157 25102
1757 1 12 . 1 1 54 54 SER HA H 54 4.706 4.706 4.208 0.498 25102
1758 1 12 . 1 1 54 54 SER H H 54 8.893 8.893 8.701 0.192 25102
1759 1 12 . 1 1 55 55 GLU N N 55 115.612 115.612 125.338 -9.726 25102
1760 1 12 . 1 1 55 55 GLU HA H 55 3.776 3.776 4.082 -0.306 25102
1761 1 12 . 1 1 55 55 GLU H H 55 8.296 8.296 8.976 -0.680 25102
1762 1 12 . 1 1 56 56 ALA N N 56 125.675 125.675 118.729 6.946 25102
1763 1 12 . 1 1 56 56 ALA HA H 56 4.223 4.223 4.410 -0.187 25102
1764 1 12 . 1 1 56 56 ALA H H 56 8.185 8.185 8.177 0.008 25102
1765 1 13 . 1 1 2 2 PRO HA H 2 4.475 4.475 4.629 -0.154 25102
1766 1 13 . 1 1 3 3 ARG N N 3 117.071 117.071 114.503 2.568 25102
1767 1 13 . 1 1 3 3 ARG HA H 3 4.625 4.625 5.190 -0.565 25102
1768 1 13 . 1 1 3 3 ARG H H 3 8.107 8.107 8.393 -0.286 25102
1769 1 13 . 1 1 4 4 MET N N 4 117.614 117.614 118.592 -0.978 25102
1770 1 13 . 1 1 4 4 MET HA H 4 5.110 5.110 4.789 0.321 25102
1771 1 13 . 1 1 4 4 MET H H 4 8.381 8.381 8.211 0.170 25102
1772 1 13 . 1 1 5 5 GLN N N 5 122.654 122.654 118.065 4.589 25102
1773 1 13 . 1 1 5 5 GLN HA H 5 5.037 5.037 5.295 -0.258 25102
1774 1 13 . 1 1 5 5 GLN H H 5 9.675 9.675 8.398 1.277 25102
1775 1 13 . 1 1 6 6 CYS N N 6 135.155 135.155 119.989 15.166 25102
1776 1 13 . 1 1 6 6 CYS HA H 6 2.658 2.658 4.228 -1.570 25102
1777 1 13 . 1 1 6 6 CYS H H 6 9.415 9.415 8.614 0.801 25102
1778 1 13 . 1 1 7 7 SER N N 7 125.596 125.596 120.815 4.781 25102
1779 1 13 . 1 1 7 7 SER HA H 7 4.167 4.167 4.354 -0.187 25102
1780 1 13 . 1 1 7 7 SER H H 7 8.147 8.147 8.608 -0.461 25102
1781 1 13 . 1 1 8 8 VAL N N 8 128.046 128.046 122.448 5.598 25102
1782 1 13 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.197 -0.330 25102
1783 1 13 . 1 1 8 8 VAL H H 8 9.074 9.074 8.175 0.899 25102
1784 1 13 . 1 1 9 9 CYS N N 9 124.350 124.350 118.280 6.070 25102
1785 1 13 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.788 0.089 25102
1786 1 13 . 1 1 9 9 CYS H H 9 9.443 9.443 8.355 1.088 25102
1787 1 13 . 1 1 10 10 GLN N N 10 115.176 115.176 119.124 -3.948 25102
1788 1 13 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.089 -0.097 25102
1789 1 13 . 1 1 10 10 GLN H H 10 7.596 7.596 8.292 -0.696 25102
1790 1 13 . 1 1 11 11 TRP N N 11 128.644 128.644 121.736 6.908 25102
1791 1 13 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.814 -0.716 25102
1792 1 13 . 1 1 11 11 TRP H H 11 9.200 9.200 7.757 1.443 25102
1793 1 13 . 1 1 12 12 ILE N N 12 125.601 125.601 130.871 -5.270 25102
1794 1 13 . 1 1 12 12 ILE HA H 12 4.314 4.314 4.303 0.011 25102
1795 1 13 . 1 1 12 12 ILE H H 12 6.788 6.788 8.576 -1.788 25102
1796 1 13 . 1 1 13 13 TYR N N 13 126.171 126.171 130.403 -4.232 25102
1797 1 13 . 1 1 13 13 TYR HA H 13 3.877 3.877 3.416 0.461 25102
1798 1 13 . 1 1 13 13 TYR H H 13 8.986 8.986 8.955 0.031 25102
1799 1 13 . 1 1 14 14 ASP N N 14 129.316 129.316 129.391 -0.075 25102
1800 1 13 . 1 1 14 14 ASP HA H 14 4.835 4.835 4.893 -0.058 25102
1801 1 13 . 1 1 14 14 ASP H H 14 8.569 8.569 7.501 1.068 25102
1802 1 13 . 1 1 15 15 PRO HA H 15 3.972 3.972 3.965 0.007 25102
1803 1 13 . 1 1 16 16 ALA N N 16 117.037 117.037 117.126 -0.089 25102
1804 1 13 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.200 -0.352 25102
1805 1 13 . 1 1 16 16 ALA H H 16 7.923 7.923 8.396 -0.473 25102
1806 1 13 . 1 1 17 17 LYS N N 17 115.236 115.236 115.808 -0.572 25102
1807 1 13 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.552 -0.298 25102
1808 1 13 . 1 1 17 17 LYS H H 17 7.635 7.635 8.009 -0.374 25102
1809 1 13 . 1 1 18 18 GLY N N 18 105.765 105.765 109.913 -4.148 25102
1810 1 13 . 1 1 18 18 GLY H H 18 7.865 7.865 8.186 -0.321 25102
1811 1 13 . 1 1 19 19 GLU N N 19 122.724 122.724 120.679 2.045 25102
1812 1 13 . 1 1 19 19 GLU HA H 19 5.079 5.079 4.945 0.134 25102
1813 1 13 . 1 1 19 19 GLU H H 19 9.072 9.072 8.250 0.822 25102
1814 1 13 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.522 -0.324 25102
1815 1 13 . 1 1 21 21 MET N N 21 120.818 120.818 116.024 4.794 25102
1816 1 13 . 1 1 21 21 MET HA H 21 4.259 4.259 4.716 -0.457 25102
1817 1 13 . 1 1 21 21 MET H H 21 9.643 9.643 7.840 1.803 25102
1818 1 13 . 1 1 22 22 GLN N N 22 118.335 118.335 120.768 -2.433 25102
1819 1 13 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.527 -0.072 25102
1820 1 13 . 1 1 22 22 GLN H H 22 7.656 7.656 8.154 -0.498 25102
1821 1 13 . 1 1 23 23 ASP N N 23 115.262 115.262 116.818 -1.556 25102
1822 1 13 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.468 -0.304 25102
1823 1 13 . 1 1 23 23 ASP H H 23 7.757 7.757 8.465 -0.708 25102
1824 1 13 . 1 1 24 24 VAL N N 24 119.478 119.478 118.584 0.894 25102
1825 1 13 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.189 -0.026 25102
1826 1 13 . 1 1 24 24 VAL H H 24 7.534 7.534 7.407 0.127 25102
1827 1 13 . 1 1 25 25 ALA N N 25 132.445 132.445 129.409 3.036 25102
1828 1 13 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.685 -0.285 25102
1829 1 13 . 1 1 25 25 ALA H H 25 8.565 8.565 8.168 0.397 25102
1830 1 13 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.361 -0.697 25102
1831 1 13 . 1 1 27 27 GLY N N 27 106.448 106.448 110.024 -3.576 25102
1832 1 13 . 1 1 27 27 GLY H H 27 8.200 8.200 8.726 -0.526 25102
1833 1 13 . 1 1 28 28 THR N N 28 118.305 118.305 114.946 3.359 25102
1834 1 13 . 1 1 28 28 THR HA H 28 4.355 4.355 4.672 -0.317 25102
1835 1 13 . 1 1 28 28 THR H H 28 7.251 7.251 7.920 -0.669 25102
1836 1 13 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.682 0.002 25102
1837 1 13 . 1 1 30 30 TRP N N 30 123.786 123.786 125.782 -1.996 25102
1838 1 13 . 1 1 30 30 TRP HA H 30 3.957 3.957 4.063 -0.106 25102
1839 1 13 . 1 1 30 30 TRP H H 30 9.563 9.563 8.724 0.839 25102
1840 1 13 . 1 1 31 31 SER N N 31 111.431 111.431 113.087 -1.656 25102
1841 1 13 . 1 1 31 31 SER HA H 31 3.859 3.859 4.244 -0.385 25102
1842 1 13 . 1 1 31 31 SER H H 31 8.443 8.443 7.887 0.556 25102
1843 1 13 . 1 1 32 32 GLU N N 32 119.555 119.555 120.004 -0.449 25102
1844 1 13 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.155 0.014 25102
1845 1 13 . 1 1 32 32 GLU H H 32 7.594 7.594 7.727 -0.133 25102
1846 1 13 . 1 1 33 33 VAL N N 33 125.616 125.616 122.625 2.991 25102
1847 1 13 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.685 -0.148 25102
1848 1 13 . 1 1 33 33 VAL H H 33 7.063 7.063 7.468 -0.405 25102
1849 1 13 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.290 -0.135 25102
1850 1 13 . 1 1 35 35 ASP N N 35 118.884 118.884 124.121 -5.237 25102
1851 1 13 . 1 1 35 35 ASP HA H 35 4.053 4.053 4.199 -0.146 25102
1852 1 13 . 1 1 35 35 ASP H H 35 8.381 8.381 8.439 -0.058 25102
1853 1 13 . 1 1 36 36 ASN N N 36 115.350 115.350 121.693 -6.343 25102
1854 1 13 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.553 0.001 25102
1855 1 13 . 1 1 36 36 ASN H H 36 7.864 7.864 7.899 -0.035 25102
1856 1 13 . 1 1 37 37 PHE N N 37 122.004 122.004 122.616 -0.612 25102
1857 1 13 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.189 -0.325 25102
1858 1 13 . 1 1 37 37 PHE H H 37 7.397 7.397 7.574 -0.177 25102
1859 1 13 . 1 1 38 38 LEU N N 38 127.420 127.420 126.661 0.759 25102
1860 1 13 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.597 0.127 25102
1861 1 13 . 1 1 38 38 LEU H H 38 7.907 7.907 7.082 0.825 25102
1862 1 13 . 1 1 39 39 CYS N N 39 125.807 125.807 123.672 2.135 25102
1863 1 13 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.381 -0.327 25102
1864 1 13 . 1 1 39 39 CYS H H 39 9.568 9.568 8.992 0.576 25102
1865 1 13 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.210 -0.331 25102
1866 1 13 . 1 1 41 41 GLU N N 41 120.864 120.864 117.661 3.203 25102
1867 1 13 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.358 -0.034 25102
1868 1 13 . 1 1 41 41 GLU H H 41 8.422 8.422 8.083 0.339 25102
1869 1 13 . 1 1 42 42 CYS N N 42 121.478 121.478 118.121 3.357 25102
1870 1 13 . 1 1 42 42 CYS HA H 42 4.774 4.774 4.913 -0.139 25102
1871 1 13 . 1 1 42 42 CYS H H 42 8.562 8.562 7.410 1.152 25102
1872 1 13 . 1 1 43 43 SER N N 43 114.585 114.585 116.231 -1.646 25102
1873 1 13 . 1 1 43 43 SER HA H 43 4.048 4.048 4.125 -0.077 25102
1874 1 13 . 1 1 43 43 SER H H 43 7.905 7.905 8.144 -0.239 25102
1875 1 13 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.704 -0.077 25102
1876 1 13 . 1 1 44 44 LEU H H 44 7.920 7.920 8.106 -0.186 25102
1877 1 13 . 1 1 45 45 GLY N N 45 103.239 103.239 107.225 -3.986 25102
1878 1 13 . 1 1 45 45 GLY H H 45 8.158 8.158 8.792 -0.634 25102
1879 1 13 . 1 1 46 46 LYS N N 46 113.276 113.276 117.296 -4.020 25102
1880 1 13 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.265 -0.151 25102
1881 1 13 . 1 1 46 46 LYS H H 46 8.269 8.269 8.255 0.014 25102
1882 1 13 . 1 1 47 47 ASP N N 47 115.186 115.186 118.724 -3.538 25102
1883 1 13 . 1 1 47 47 ASP HA H 47 4.493 4.493 4.776 -0.283 25102
1884 1 13 . 1 1 47 47 ASP H H 47 8.910 8.910 8.467 0.443 25102
1885 1 13 . 1 1 48 48 VAL N N 48 110.836 110.836 118.191 -7.355 25102
1886 1 13 . 1 1 48 48 VAL HA H 48 4.607 4.607 4.244 0.363 25102
1887 1 13 . 1 1 48 48 VAL H H 48 7.756 7.756 7.814 -0.058 25102
1888 1 13 . 1 1 49 49 PHE N N 49 124.366 124.366 119.713 4.653 25102
1889 1 13 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.684 0.185 25102
1890 1 13 . 1 1 49 49 PHE H H 49 8.064 8.064 7.836 0.228 25102
1891 1 13 . 1 1 50 50 GLU N N 50 120.147 120.147 121.127 -0.980 25102
1892 1 13 . 1 1 50 50 GLU HA H 50 4.619 4.619 4.517 0.102 25102
1893 1 13 . 1 1 50 50 GLU H H 50 8.729 8.729 8.265 0.464 25102
1894 1 13 . 1 1 51 51 GLU N N 51 123.941 123.941 116.043 7.898 25102
1895 1 13 . 1 1 51 51 GLU HA H 51 4.753 4.753 4.017 0.736 25102
1896 1 13 . 1 1 51 51 GLU H H 51 8.739 8.739 8.325 0.414 25102
1897 1 13 . 1 1 52 52 LEU N N 52 126.863 126.863 120.534 6.329 25102
1898 1 13 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.772 -0.460 25102
1899 1 13 . 1 1 52 52 LEU H H 52 8.207 8.207 8.157 0.050 25102
1900 1 13 . 1 1 53 53 ALA N N 53 128.679 128.679 120.073 8.606 25102
1901 1 13 . 1 1 53 53 ALA HA H 53 4.259 4.259 4.660 -0.401 25102
1902 1 13 . 1 1 53 53 ALA H H 53 8.494 8.494 8.100 0.394 25102
1903 1 13 . 1 1 54 54 SER N N 54 113.369 113.369 114.277 -0.908 25102
1904 1 13 . 1 1 54 54 SER HA H 54 4.706 4.706 4.274 0.432 25102
1905 1 13 . 1 1 54 54 SER H H 54 8.893 8.893 8.628 0.265 25102
1906 1 13 . 1 1 55 55 GLU N N 55 115.612 115.612 125.000 -9.388 25102
1907 1 13 . 1 1 55 55 GLU HA H 55 3.776 3.776 4.306 -0.530 25102
1908 1 13 . 1 1 55 55 GLU H H 55 8.296 8.296 8.419 -0.123 25102
1909 1 13 . 1 1 56 56 ALA N N 56 125.675 125.675 129.194 -3.519 25102
1910 1 13 . 1 1 56 56 ALA HA H 56 4.223 4.223 4.125 0.098 25102
1911 1 13 . 1 1 56 56 ALA H H 56 8.185 8.185 8.432 -0.247 25102
1912 1 14 . 1 1 2 2 PRO HA H 2 4.475 4.475 4.825 -0.350 25102
1913 1 14 . 1 1 3 3 ARG N N 3 117.071 117.071 117.400 -0.329 25102
1914 1 14 . 1 1 3 3 ARG HA H 3 4.625 4.625 4.874 -0.249 25102
1915 1 14 . 1 1 3 3 ARG H H 3 8.107 8.107 8.510 -0.403 25102
1916 1 14 . 1 1 4 4 MET N N 4 117.614 117.614 118.729 -1.115 25102
1917 1 14 . 1 1 4 4 MET HA H 4 5.110 5.110 4.898 0.212 25102
1918 1 14 . 1 1 4 4 MET H H 4 8.381 8.381 8.271 0.110 25102
1919 1 14 . 1 1 5 5 GLN N N 5 122.654 122.654 120.601 2.053 25102
1920 1 14 . 1 1 5 5 GLN HA H 5 5.037 5.037 4.896 0.141 25102
1921 1 14 . 1 1 5 5 GLN H H 5 9.675 9.675 8.491 1.184 25102
1922 1 14 . 1 1 6 6 CYS N N 6 135.155 135.155 123.587 11.568 25102
1923 1 14 . 1 1 6 6 CYS HA H 6 2.658 2.658 3.866 -1.208 25102
1924 1 14 . 1 1 6 6 CYS H H 6 9.415 9.415 8.301 1.114 25102
1925 1 14 . 1 1 7 7 SER N N 7 125.596 125.596 121.500 4.096 25102
1926 1 14 . 1 1 7 7 SER HA H 7 4.167 4.167 4.423 -0.256 25102
1927 1 14 . 1 1 7 7 SER H H 7 8.147 8.147 8.743 -0.596 25102
1928 1 14 . 1 1 8 8 VAL N N 8 128.046 128.046 120.939 7.107 25102
1929 1 14 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.251 -0.384 25102
1930 1 14 . 1 1 8 8 VAL H H 8 9.074 9.074 7.736 1.338 25102
1931 1 14 . 1 1 9 9 CYS N N 9 124.350 124.350 117.295 7.055 25102
1932 1 14 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.888 -0.011 25102
1933 1 14 . 1 1 9 9 CYS H H 9 9.443 9.443 7.793 1.650 25102
1934 1 14 . 1 1 10 10 GLN N N 10 115.176 115.176 120.496 -5.320 25102
1935 1 14 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.085 -0.093 25102
1936 1 14 . 1 1 10 10 GLN H H 10 7.596 7.596 7.966 -0.370 25102
1937 1 14 . 1 1 11 11 TRP N N 11 128.644 128.644 127.550 1.094 25102
1938 1 14 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.944 -0.846 25102
1939 1 14 . 1 1 11 11 TRP H H 11 9.200 9.200 8.220 0.980 25102
1940 1 14 . 1 1 12 12 ILE N N 12 125.601 125.601 128.829 -3.228 25102
1941 1 14 . 1 1 12 12 ILE HA H 12 4.314 4.314 4.239 0.075 25102
1942 1 14 . 1 1 12 12 ILE H H 12 6.788 6.788 8.183 -1.395 25102
1943 1 14 . 1 1 13 13 TYR N N 13 126.171 126.171 130.533 -4.362 25102
1944 1 14 . 1 1 13 13 TYR HA H 13 3.877 3.877 3.834 0.043 25102
1945 1 14 . 1 1 13 13 TYR H H 13 8.986 8.986 8.866 0.120 25102
1946 1 14 . 1 1 14 14 ASP N N 14 129.316 129.316 129.979 -0.663 25102
1947 1 14 . 1 1 14 14 ASP HA H 14 4.835 4.835 4.865 -0.030 25102
1948 1 14 . 1 1 14 14 ASP H H 14 8.569 8.569 7.683 0.886 25102
1949 1 14 . 1 1 15 15 PRO HA H 15 3.972 3.972 4.008 -0.036 25102
1950 1 14 . 1 1 16 16 ALA N N 16 117.037 117.037 117.496 -0.459 25102
1951 1 14 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.086 -0.238 25102
1952 1 14 . 1 1 16 16 ALA H H 16 7.923 7.923 7.883 0.040 25102
1953 1 14 . 1 1 17 17 LYS N N 17 115.236 115.236 114.991 0.245 25102
1954 1 14 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.569 -0.315 25102
1955 1 14 . 1 1 17 17 LYS H H 17 7.635 7.635 8.064 -0.429 25102
1956 1 14 . 1 1 18 18 GLY N N 18 105.765 105.765 110.573 -4.808 25102
1957 1 14 . 1 1 18 18 GLY H H 18 7.865 7.865 8.203 -0.338 25102
1958 1 14 . 1 1 19 19 GLU N N 19 122.724 122.724 121.258 1.466 25102
1959 1 14 . 1 1 19 19 GLU HA H 19 5.079 5.079 4.989 0.090 25102
1960 1 14 . 1 1 19 19 GLU H H 19 9.072 9.072 8.194 0.878 25102
1961 1 14 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.412 -0.214 25102
1962 1 14 . 1 1 21 21 MET N N 21 120.818 120.818 112.657 8.161 25102
1963 1 14 . 1 1 21 21 MET HA H 21 4.259 4.259 4.786 -0.527 25102
1964 1 14 . 1 1 21 21 MET H H 21 9.643 9.643 7.666 1.977 25102
1965 1 14 . 1 1 22 22 GLN N N 22 118.335 118.335 121.155 -2.820 25102
1966 1 14 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.527 -0.072 25102
1967 1 14 . 1 1 22 22 GLN H H 22 7.656 7.656 7.956 -0.300 25102
1968 1 14 . 1 1 23 23 ASP N N 23 115.262 115.262 116.990 -1.728 25102
1969 1 14 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.494 -0.330 25102
1970 1 14 . 1 1 23 23 ASP H H 23 7.757 7.757 8.552 -0.795 25102
1971 1 14 . 1 1 24 24 VAL N N 24 119.478 119.478 117.439 2.039 25102
1972 1 14 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.332 -0.169 25102
1973 1 14 . 1 1 24 24 VAL H H 24 7.534 7.534 7.394 0.140 25102
1974 1 14 . 1 1 25 25 ALA N N 25 132.445 132.445 128.250 4.195 25102
1975 1 14 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.527 -0.127 25102
1976 1 14 . 1 1 25 25 ALA H H 25 8.565 8.565 8.468 0.097 25102
1977 1 14 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.199 -0.535 25102
1978 1 14 . 1 1 27 27 GLY N N 27 106.448 106.448 110.467 -4.019 25102
1979 1 14 . 1 1 27 27 GLY H H 27 8.200 8.200 8.556 -0.356 25102
1980 1 14 . 1 1 28 28 THR N N 28 118.305 118.305 116.354 1.951 25102
1981 1 14 . 1 1 28 28 THR HA H 28 4.355 4.355 4.696 -0.341 25102
1982 1 14 . 1 1 28 28 THR H H 28 7.251 7.251 7.967 -0.716 25102
1983 1 14 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.581 0.103 25102
1984 1 14 . 1 1 30 30 TRP N N 30 123.786 123.786 126.795 -3.009 25102
1985 1 14 . 1 1 30 30 TRP HA H 30 3.957 3.957 4.049 -0.092 25102
1986 1 14 . 1 1 30 30 TRP H H 30 9.563 9.563 8.744 0.819 25102
1987 1 14 . 1 1 31 31 SER N N 31 111.431 111.431 111.710 -0.279 25102
1988 1 14 . 1 1 31 31 SER HA H 31 3.859 3.859 4.064 -0.204 25102
1989 1 14 . 1 1 31 31 SER H H 31 8.443 8.443 7.995 0.448 25102
1990 1 14 . 1 1 32 32 GLU N N 32 119.555 119.555 121.169 -1.614 25102
1991 1 14 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.131 0.038 25102
1992 1 14 . 1 1 32 32 GLU H H 32 7.594 7.594 7.816 -0.222 25102
1993 1 14 . 1 1 33 33 VAL N N 33 125.616 125.616 122.832 2.784 25102
1994 1 14 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.689 -0.152 25102
1995 1 14 . 1 1 33 33 VAL H H 33 7.063 7.063 7.536 -0.473 25102
1996 1 14 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.271 -0.116 25102
1997 1 14 . 1 1 35 35 ASP N N 35 118.884 118.884 120.683 -1.799 25102
1998 1 14 . 1 1 35 35 ASP HA H 35 4.053 4.053 4.486 -0.433 25102
1999 1 14 . 1 1 35 35 ASP H H 35 8.381 8.381 8.316 0.065 25102
2000 1 14 . 1 1 36 36 ASN N N 36 115.350 115.350 123.140 -7.790 25102
2001 1 14 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.582 -0.028 25102
2002 1 14 . 1 1 36 36 ASN H H 36 7.864 7.864 8.660 -0.796 25102
2003 1 14 . 1 1 37 37 PHE N N 37 122.004 122.004 122.273 -0.269 25102
2004 1 14 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.186 -0.322 25102
2005 1 14 . 1 1 37 37 PHE H H 37 7.397 7.397 8.181 -0.784 25102
2006 1 14 . 1 1 38 38 LEU N N 38 127.420 127.420 128.813 -1.393 25102
2007 1 14 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.458 0.266 25102
2008 1 14 . 1 1 38 38 LEU H H 38 7.907 7.907 7.650 0.257 25102
2009 1 14 . 1 1 39 39 CYS N N 39 125.807 125.807 124.679 1.128 25102
2010 1 14 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.093 -0.039 25102
2011 1 14 . 1 1 39 39 CYS H H 39 9.568 9.568 9.111 0.457 25102
2012 1 14 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.048 -0.169 25102
2013 1 14 . 1 1 41 41 GLU N N 41 120.864 120.864 115.940 4.924 25102
2014 1 14 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.327 -0.003 25102
2015 1 14 . 1 1 41 41 GLU H H 41 8.422 8.422 8.257 0.165 25102
2016 1 14 . 1 1 42 42 CYS N N 42 121.478 121.478 118.246 3.232 25102
2017 1 14 . 1 1 42 42 CYS HA H 42 4.774 4.774 4.984 -0.210 25102
2018 1 14 . 1 1 42 42 CYS H H 42 8.562 8.562 8.141 0.421 25102
2019 1 14 . 1 1 43 43 SER N N 43 114.585 114.585 119.302 -4.717 25102
2020 1 14 . 1 1 43 43 SER HA H 43 4.048 4.048 3.867 0.181 25102
2021 1 14 . 1 1 43 43 SER H H 43 7.905 7.905 8.812 -0.907 25102
2022 1 14 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.185 0.442 25102
2023 1 14 . 1 1 44 44 LEU H H 44 7.920 7.920 7.823 0.097 25102
2024 1 14 . 1 1 45 45 GLY N N 45 103.239 103.239 107.058 -3.819 25102
2025 1 14 . 1 1 45 45 GLY H H 45 8.158 8.158 8.636 -0.478 25102
2026 1 14 . 1 1 46 46 LYS N N 46 113.276 113.276 117.470 -4.194 25102
2027 1 14 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.230 -0.116 25102
2028 1 14 . 1 1 46 46 LYS H H 46 8.269 8.269 8.448 -0.179 25102
2029 1 14 . 1 1 47 47 ASP N N 47 115.186 115.186 118.473 -3.287 25102
2030 1 14 . 1 1 47 47 ASP HA H 47 4.493 4.493 4.811 -0.318 25102
2031 1 14 . 1 1 47 47 ASP H H 47 8.910 8.910 8.442 0.468 25102
2032 1 14 . 1 1 48 48 VAL N N 48 110.836 110.836 118.899 -8.063 25102
2033 1 14 . 1 1 48 48 VAL HA H 48 4.607 4.607 4.200 0.407 25102
2034 1 14 . 1 1 48 48 VAL H H 48 7.756 7.756 7.736 0.020 25102
2035 1 14 . 1 1 49 49 PHE N N 49 124.366 124.366 121.109 3.257 25102
2036 1 14 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.145 0.724 25102
2037 1 14 . 1 1 49 49 PHE H H 49 8.064 8.064 8.120 -0.056 25102
2038 1 14 . 1 1 50 50 GLU N N 50 120.147 120.147 122.809 -2.662 25102
2039 1 14 . 1 1 50 50 GLU HA H 50 4.619 4.619 4.416 0.203 25102
2040 1 14 . 1 1 50 50 GLU H H 50 8.729 8.729 8.149 0.580 25102
2041 1 14 . 1 1 51 51 GLU N N 51 123.941 123.941 116.384 7.557 25102
2042 1 14 . 1 1 51 51 GLU HA H 51 4.753 4.753 4.019 0.734 25102
2043 1 14 . 1 1 51 51 GLU H H 51 8.739 8.739 8.323 0.416 25102
2044 1 14 . 1 1 52 52 LEU N N 52 126.863 126.863 114.017 12.846 25102
2045 1 14 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.727 -0.415 25102
2046 1 14 . 1 1 52 52 LEU H H 52 8.207 8.207 8.099 0.108 25102
2047 1 14 . 1 1 53 53 ALA N N 53 128.679 128.679 118.074 10.605 25102
2048 1 14 . 1 1 53 53 ALA HA H 53 4.259 4.259 4.856 -0.597 25102
2049 1 14 . 1 1 53 53 ALA H H 53 8.494 8.494 8.245 0.249 25102
2050 1 14 . 1 1 54 54 SER N N 54 113.369 113.369 112.880 0.489 25102
2051 1 14 . 1 1 54 54 SER HA H 54 4.706 4.706 4.348 0.358 25102
2052 1 14 . 1 1 54 54 SER H H 54 8.893 8.893 8.542 0.351 25102
2053 1 14 . 1 1 55 55 GLU N N 55 115.612 115.612 124.824 -9.212 25102
2054 1 14 . 1 1 55 55 GLU HA H 55 3.776 3.776 4.385 -0.609 25102
2055 1 14 . 1 1 55 55 GLU H H 55 8.296 8.296 8.528 -0.232 25102
2056 1 14 . 1 1 56 56 ALA N N 56 125.675 125.675 124.281 1.394 25102
2057 1 14 . 1 1 56 56 ALA HA H 56 4.223 4.223 4.277 -0.054 25102
2058 1 14 . 1 1 56 56 ALA H H 56 8.185 8.185 8.471 -0.286 25102
2059 1 15 . 1 1 2 2 PRO HA H 2 4.475 4.475 4.813 -0.338 25102
2060 1 15 . 1 1 3 3 ARG N N 3 117.071 117.071 116.709 0.362 25102
2061 1 15 . 1 1 3 3 ARG HA H 3 4.625 4.625 5.077 -0.452 25102
2062 1 15 . 1 1 3 3 ARG H H 3 8.107 8.107 8.428 -0.321 25102
2063 1 15 . 1 1 4 4 MET N N 4 117.614 117.614 116.283 1.331 25102
2064 1 15 . 1 1 4 4 MET HA H 4 5.110 5.110 5.085 0.025 25102
2065 1 15 . 1 1 4 4 MET H H 4 8.381 8.381 8.555 -0.174 25102
2066 1 15 . 1 1 5 5 GLN N N 5 122.654 122.654 117.113 5.541 25102
2067 1 15 . 1 1 5 5 GLN HA H 5 5.037 5.037 5.244 -0.207 25102
2068 1 15 . 1 1 5 5 GLN H H 5 9.675 9.675 8.324 1.351 25102
2069 1 15 . 1 1 6 6 CYS N N 6 135.155 135.155 119.965 15.190 25102
2070 1 15 . 1 1 6 6 CYS HA H 6 2.658 2.658 4.504 -1.846 25102
2071 1 15 . 1 1 6 6 CYS H H 6 9.415 9.415 8.419 0.996 25102
2072 1 15 . 1 1 7 7 SER N N 7 125.596 125.596 121.689 3.907 25102
2073 1 15 . 1 1 7 7 SER HA H 7 4.167 4.167 4.443 -0.276 25102
2074 1 15 . 1 1 7 7 SER H H 7 8.147 8.147 8.793 -0.646 25102
2075 1 15 . 1 1 8 8 VAL N N 8 128.046 128.046 120.686 7.360 25102
2076 1 15 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.244 -0.377 25102
2077 1 15 . 1 1 8 8 VAL H H 8 9.074 9.074 8.179 0.895 25102
2078 1 15 . 1 1 9 9 CYS N N 9 124.350 124.350 118.482 5.868 25102
2079 1 15 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.620 0.257 25102
2080 1 15 . 1 1 9 9 CYS H H 9 9.443 9.443 8.313 1.130 25102
2081 1 15 . 1 1 10 10 GLN N N 10 115.176 115.176 120.565 -5.389 25102
2082 1 15 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.120 -0.128 25102
2083 1 15 . 1 1 10 10 GLN H H 10 7.596 7.596 8.156 -0.560 25102
2084 1 15 . 1 1 11 11 TRP N N 11 128.644 128.644 123.384 5.260 25102
2085 1 15 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.993 -0.895 25102
2086 1 15 . 1 1 11 11 TRP H H 11 9.200 9.200 7.837 1.363 25102
2087 1 15 . 1 1 12 12 ILE N N 12 125.601 125.601 129.853 -4.252 25102
2088 1 15 . 1 1 12 12 ILE HA H 12 4.314 4.314 4.330 -0.016 25102
2089 1 15 . 1 1 12 12 ILE H H 12 6.788 6.788 8.513 -1.725 25102
2090 1 15 . 1 1 13 13 TYR N N 13 126.171 126.171 130.505 -4.334 25102
2091 1 15 . 1 1 13 13 TYR HA H 13 3.877 3.877 3.971 -0.094 25102
2092 1 15 . 1 1 13 13 TYR H H 13 8.986 8.986 9.087 -0.101 25102
2093 1 15 . 1 1 14 14 ASP N N 14 129.316 129.316 130.039 -0.723 25102
2094 1 15 . 1 1 14 14 ASP HA H 14 4.835 4.835 4.998 -0.163 25102
2095 1 15 . 1 1 14 14 ASP H H 14 8.569 8.569 8.002 0.567 25102
2096 1 15 . 1 1 15 15 PRO HA H 15 3.972 3.972 4.087 -0.115 25102
2097 1 15 . 1 1 16 16 ALA N N 16 117.037 117.037 119.241 -2.204 25102
2098 1 15 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.095 -0.247 25102
2099 1 15 . 1 1 16 16 ALA H H 16 7.923 7.923 7.851 0.072 25102
2100 1 15 . 1 1 17 17 LYS N N 17 115.236 115.236 114.429 0.807 25102
2101 1 15 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.505 -0.251 25102
2102 1 15 . 1 1 17 17 LYS H H 17 7.635 7.635 7.952 -0.317 25102
2103 1 15 . 1 1 18 18 GLY N N 18 105.765 105.765 109.716 -3.951 25102
2104 1 15 . 1 1 18 18 GLY H H 18 7.865 7.865 8.159 -0.294 25102
2105 1 15 . 1 1 19 19 GLU N N 19 122.724 122.724 120.729 1.995 25102
2106 1 15 . 1 1 19 19 GLU HA H 19 5.079 5.079 5.022 0.057 25102
2107 1 15 . 1 1 19 19 GLU H H 19 9.072 9.072 8.317 0.755 25102
2108 1 15 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.305 -0.107 25102
2109 1 15 . 1 1 21 21 MET N N 21 120.818 120.818 115.420 5.398 25102
2110 1 15 . 1 1 21 21 MET HA H 21 4.259 4.259 4.588 -0.329 25102
2111 1 15 . 1 1 21 21 MET H H 21 9.643 9.643 7.823 1.820 25102
2112 1 15 . 1 1 22 22 GLN N N 22 118.335 118.335 119.467 -1.132 25102
2113 1 15 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.536 -0.081 25102
2114 1 15 . 1 1 22 22 GLN H H 22 7.656 7.656 8.270 -0.614 25102
2115 1 15 . 1 1 23 23 ASP N N 23 115.262 115.262 116.303 -1.041 25102
2116 1 15 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.412 -0.248 25102
2117 1 15 . 1 1 23 23 ASP H H 23 7.757 7.757 8.186 -0.429 25102
2118 1 15 . 1 1 24 24 VAL N N 24 119.478 119.478 118.672 0.806 25102
2119 1 15 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.266 -0.103 25102
2120 1 15 . 1 1 24 24 VAL H H 24 7.534 7.534 7.396 0.138 25102
2121 1 15 . 1 1 25 25 ALA N N 25 132.445 132.445 128.483 3.962 25102
2122 1 15 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.569 -0.169 25102
2123 1 15 . 1 1 25 25 ALA H H 25 8.565 8.565 8.381 0.184 25102
2124 1 15 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.248 -0.584 25102
2125 1 15 . 1 1 27 27 GLY N N 27 106.448 106.448 111.144 -4.696 25102
2126 1 15 . 1 1 27 27 GLY H H 27 8.200 8.200 8.503 -0.303 25102
2127 1 15 . 1 1 28 28 THR N N 28 118.305 118.305 115.504 2.801 25102
2128 1 15 . 1 1 28 28 THR HA H 28 4.355 4.355 4.704 -0.349 25102
2129 1 15 . 1 1 28 28 THR H H 28 7.251 7.251 8.020 -0.769 25102
2130 1 15 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.648 0.036 25102
2131 1 15 . 1 1 30 30 TRP N N 30 123.786 123.786 127.767 -3.981 25102
2132 1 15 . 1 1 30 30 TRP HA H 30 3.957 3.957 3.950 0.007 25102
2133 1 15 . 1 1 30 30 TRP H H 30 9.563 9.563 8.895 0.668 25102
2134 1 15 . 1 1 31 31 SER N N 31 111.431 111.431 113.474 -2.043 25102
2135 1 15 . 1 1 31 31 SER HA H 31 3.859 3.859 4.007 -0.148 25102
2136 1 15 . 1 1 31 31 SER H H 31 8.443 8.443 7.981 0.462 25102
2137 1 15 . 1 1 32 32 GLU N N 32 119.555 119.555 119.532 0.023 25102
2138 1 15 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.048 0.121 25102
2139 1 15 . 1 1 32 32 GLU H H 32 7.594 7.594 7.798 -0.204 25102
2140 1 15 . 1 1 33 33 VAL N N 33 125.616 125.616 122.111 3.505 25102
2141 1 15 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.643 -0.106 25102
2142 1 15 . 1 1 33 33 VAL H H 33 7.063 7.063 7.241 -0.178 25102
2143 1 15 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.302 -0.147 25102
2144 1 15 . 1 1 35 35 ASP N N 35 118.884 118.884 124.227 -5.343 25102
2145 1 15 . 1 1 35 35 ASP HA H 35 4.053 4.053 4.036 0.017 25102
2146 1 15 . 1 1 35 35 ASP H H 35 8.381 8.381 8.743 -0.362 25102
2147 1 15 . 1 1 36 36 ASN N N 36 115.350 115.350 116.312 -0.962 25102
2148 1 15 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.471 0.083 25102
2149 1 15 . 1 1 36 36 ASN H H 36 7.864 7.864 8.053 -0.189 25102
2150 1 15 . 1 1 37 37 PHE N N 37 122.004 122.004 119.887 2.117 25102
2151 1 15 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.432 -0.568 25102
2152 1 15 . 1 1 37 37 PHE H H 37 7.397 7.397 8.059 -0.662 25102
2153 1 15 . 1 1 38 38 LEU N N 38 127.420 127.420 128.435 -1.015 25102
2154 1 15 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.487 0.237 25102
2155 1 15 . 1 1 38 38 LEU H H 38 7.907 7.907 7.431 0.476 25102
2156 1 15 . 1 1 39 39 CYS N N 39 125.807 125.807 124.251 1.556 25102
2157 1 15 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.244 -0.190 25102
2158 1 15 . 1 1 39 39 CYS H H 39 9.568 9.568 9.007 0.561 25102
2159 1 15 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.185 -0.306 25102
2160 1 15 . 1 1 41 41 GLU N N 41 120.864 120.864 117.535 3.329 25102
2161 1 15 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.358 -0.034 25102
2162 1 15 . 1 1 41 41 GLU H H 41 8.422 8.422 8.010 0.412 25102
2163 1 15 . 1 1 42 42 CYS N N 42 121.478 121.478 117.662 3.816 25102
2164 1 15 . 1 1 42 42 CYS HA H 42 4.774 4.774 4.987 -0.213 25102
2165 1 15 . 1 1 42 42 CYS H H 42 8.562 8.562 7.510 1.052 25102
2166 1 15 . 1 1 43 43 SER N N 43 114.585 114.585 117.839 -3.254 25102
2167 1 15 . 1 1 43 43 SER HA H 43 4.048 4.048 3.990 0.058 25102
2168 1 15 . 1 1 43 43 SER H H 43 7.905 7.905 8.571 -0.666 25102
2169 1 15 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.175 0.452 25102
2170 1 15 . 1 1 44 44 LEU H H 44 7.920 7.920 7.885 0.035 25102
2171 1 15 . 1 1 45 45 GLY N N 45 103.239 103.239 108.223 -4.984 25102
2172 1 15 . 1 1 45 45 GLY H H 45 8.158 8.158 8.670 -0.512 25102
2173 1 15 . 1 1 46 46 LYS N N 46 113.276 113.276 116.929 -3.653 25102
2174 1 15 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.231 -0.117 25102
2175 1 15 . 1 1 46 46 LYS H H 46 8.269 8.269 8.396 -0.127 25102
2176 1 15 . 1 1 47 47 ASP N N 47 115.186 115.186 116.040 -0.854 25102
2177 1 15 . 1 1 47 47 ASP HA H 47 4.493 4.493 4.842 -0.349 25102
2178 1 15 . 1 1 47 47 ASP H H 47 8.910 8.910 8.304 0.606 25102
2179 1 15 . 1 1 48 48 VAL N N 48 110.836 110.836 116.558 -5.722 25102
2180 1 15 . 1 1 48 48 VAL HA H 48 4.607 4.607 4.189 0.418 25102
2181 1 15 . 1 1 48 48 VAL H H 48 7.756 7.756 7.778 -0.022 25102
2182 1 15 . 1 1 49 49 PHE N N 49 124.366 124.366 121.479 2.887 25102
2183 1 15 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.094 0.775 25102
2184 1 15 . 1 1 49 49 PHE H H 49 8.064 8.064 8.245 -0.181 25102
2185 1 15 . 1 1 50 50 GLU N N 50 120.147 120.147 126.004 -5.857 25102
2186 1 15 . 1 1 50 50 GLU HA H 50 4.619 4.619 4.539 0.080 25102
2187 1 15 . 1 1 50 50 GLU H H 50 8.729 8.729 8.382 0.347 25102
2188 1 15 . 1 1 51 51 GLU N N 51 123.941 123.941 120.288 3.653 25102
2189 1 15 . 1 1 51 51 GLU HA H 51 4.753 4.753 4.582 0.171 25102
2190 1 15 . 1 1 51 51 GLU H H 51 8.739 8.739 8.313 0.426 25102
2191 1 15 . 1 1 52 52 LEU N N 52 126.863 126.863 117.220 9.643 25102
2192 1 15 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.972 -0.660 25102
2193 1 15 . 1 1 52 52 LEU H H 52 8.207 8.207 8.186 0.021 25102
2194 1 15 . 1 1 53 53 ALA N N 53 128.679 128.679 120.168 8.511 25102
2195 1 15 . 1 1 53 53 ALA HA H 53 4.259 4.259 4.811 -0.552 25102
2196 1 15 . 1 1 53 53 ALA H H 53 8.494 8.494 8.123 0.371 25102
2197 1 15 . 1 1 54 54 SER N N 54 113.369 113.369 113.756 -0.387 25102
2198 1 15 . 1 1 54 54 SER HA H 54 4.706 4.706 4.284 0.422 25102
2199 1 15 . 1 1 54 54 SER H H 54 8.893 8.893 8.628 0.265 25102
2200 1 15 . 1 1 55 55 GLU N N 55 115.612 115.612 127.329 -11.717 25102
2201 1 15 . 1 1 55 55 GLU HA H 55 3.776 3.776 4.378 -0.602 25102
2202 1 15 . 1 1 55 55 GLU H H 55 8.296 8.296 8.716 -0.421 25102
2203 1 15 . 1 1 56 56 ALA N N 56 125.675 125.675 129.577 -3.902 25102
2204 1 15 . 1 1 56 56 ALA HA H 56 4.223 4.223 4.282 -0.059 25102
2205 1 15 . 1 1 56 56 ALA H H 56 8.185 8.185 8.167 0.018 25102
2206 1 16 . 1 1 2 2 PRO HA H 2 4.475 4.475 4.947 -0.472 25102
2207 1 16 . 1 1 3 3 ARG N N 3 117.071 117.071 118.883 -1.812 25102
2208 1 16 . 1 1 3 3 ARG HA H 3 4.625 4.625 5.033 -0.408 25102
2209 1 16 . 1 1 3 3 ARG H H 3 8.107 8.107 8.357 -0.250 25102
2210 1 16 . 1 1 4 4 MET N N 4 117.614 117.614 120.675 -3.061 25102
2211 1 16 . 1 1 4 4 MET HA H 4 5.110 5.110 4.582 0.528 25102
2212 1 16 . 1 1 4 4 MET H H 4 8.381 8.381 8.378 0.003 25102
2213 1 16 . 1 1 5 5 GLN N N 5 122.654 122.654 117.561 5.093 25102
2214 1 16 . 1 1 5 5 GLN HA H 5 5.037 5.037 4.796 0.241 25102
2215 1 16 . 1 1 5 5 GLN H H 5 9.675 9.675 8.128 1.547 25102
2216 1 16 . 1 1 6 6 CYS N N 6 135.155 135.155 123.055 12.100 25102
2217 1 16 . 1 1 6 6 CYS HA H 6 2.658 2.658 3.956 -1.298 25102
2218 1 16 . 1 1 6 6 CYS H H 6 9.415 9.415 8.176 1.239 25102
2219 1 16 . 1 1 7 7 SER N N 7 125.596 125.596 122.585 3.011 25102
2220 1 16 . 1 1 7 7 SER HA H 7 4.167 4.167 4.481 -0.314 25102
2221 1 16 . 1 1 7 7 SER H H 7 8.147 8.147 8.782 -0.635 25102
2222 1 16 . 1 1 8 8 VAL N N 8 128.046 128.046 119.415 8.631 25102
2223 1 16 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.264 -0.397 25102
2224 1 16 . 1 1 8 8 VAL H H 8 9.074 9.074 7.840 1.234 25102
2225 1 16 . 1 1 9 9 CYS N N 9 124.350 124.350 117.289 7.061 25102
2226 1 16 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.866 0.011 25102
2227 1 16 . 1 1 9 9 CYS H H 9 9.443 9.443 8.001 1.442 25102
2228 1 16 . 1 1 10 10 GLN N N 10 115.176 115.176 120.369 -5.193 25102
2229 1 16 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.029 -0.037 25102
2230 1 16 . 1 1 10 10 GLN H H 10 7.596 7.596 8.029 -0.433 25102
2231 1 16 . 1 1 11 11 TRP N N 11 128.644 128.644 125.286 3.358 25102
2232 1 16 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.899 -0.801 25102
2233 1 16 . 1 1 11 11 TRP H H 11 9.200 9.200 7.664 1.536 25102
2234 1 16 . 1 1 12 12 ILE N N 12 125.601 125.601 128.744 -3.143 25102
2235 1 16 . 1 1 12 12 ILE HA H 12 4.314 4.314 4.593 -0.279 25102
2236 1 16 . 1 1 12 12 ILE H H 12 6.788 6.788 8.320 -1.532 25102
2237 1 16 . 1 1 13 13 TYR N N 13 126.171 126.171 129.780 -3.609 25102
2238 1 16 . 1 1 13 13 TYR HA H 13 3.877 3.877 4.397 -0.520 25102
2239 1 16 . 1 1 13 13 TYR H H 13 8.986 8.986 8.221 0.765 25102
2240 1 16 . 1 1 14 14 ASP N N 14 129.316 129.316 128.650 0.666 25102
2241 1 16 . 1 1 14 14 ASP HA H 14 4.835 4.835 4.911 -0.076 25102
2242 1 16 . 1 1 14 14 ASP H H 14 8.569 8.569 8.154 0.415 25102
2243 1 16 . 1 1 15 15 PRO HA H 15 3.972 3.972 4.016 -0.044 25102
2244 1 16 . 1 1 16 16 ALA N N 16 117.037 117.037 117.952 -0.915 25102
2245 1 16 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.207 -0.359 25102
2246 1 16 . 1 1 16 16 ALA H H 16 7.923 7.923 8.263 -0.340 25102
2247 1 16 . 1 1 17 17 LYS N N 17 115.236 115.236 115.051 0.185 25102
2248 1 16 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.550 -0.296 25102
2249 1 16 . 1 1 17 17 LYS H H 17 7.635 7.635 8.152 -0.517 25102
2250 1 16 . 1 1 18 18 GLY N N 18 105.765 105.765 111.115 -5.350 25102
2251 1 16 . 1 1 18 18 GLY H H 18 7.865 7.865 8.061 -0.196 25102
2252 1 16 . 1 1 19 19 GLU N N 19 122.724 122.724 120.525 2.199 25102
2253 1 16 . 1 1 19 19 GLU HA H 19 5.079 5.079 4.957 0.122 25102
2254 1 16 . 1 1 19 19 GLU H H 19 9.072 9.072 8.293 0.779 25102
2255 1 16 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.536 -0.338 25102
2256 1 16 . 1 1 21 21 MET N N 21 120.818 120.818 116.580 4.238 25102
2257 1 16 . 1 1 21 21 MET HA H 21 4.259 4.259 4.729 -0.470 25102
2258 1 16 . 1 1 21 21 MET H H 21 9.643 9.643 7.845 1.798 25102
2259 1 16 . 1 1 22 22 GLN N N 22 118.335 118.335 120.080 -1.745 25102
2260 1 16 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.474 -0.019 25102
2261 1 16 . 1 1 22 22 GLN H H 22 7.656 7.656 7.811 -0.155 25102
2262 1 16 . 1 1 23 23 ASP N N 23 115.262 115.262 116.853 -1.591 25102
2263 1 16 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.485 -0.321 25102
2264 1 16 . 1 1 23 23 ASP H H 23 7.757 7.757 8.529 -0.772 25102
2265 1 16 . 1 1 24 24 VAL N N 24 119.478 119.478 117.096 2.382 25102
2266 1 16 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.382 -0.219 25102
2267 1 16 . 1 1 24 24 VAL H H 24 7.534 7.534 7.415 0.119 25102
2268 1 16 . 1 1 25 25 ALA N N 25 132.445 132.445 128.272 4.173 25102
2269 1 16 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.570 -0.170 25102
2270 1 16 . 1 1 25 25 ALA H H 25 8.565 8.565 8.353 0.212 25102
2271 1 16 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.296 -0.632 25102
2272 1 16 . 1 1 27 27 GLY N N 27 106.448 106.448 109.650 -3.202 25102
2273 1 16 . 1 1 27 27 GLY H H 27 8.200 8.200 8.482 -0.282 25102
2274 1 16 . 1 1 28 28 THR N N 28 118.305 118.305 115.486 2.819 25102
2275 1 16 . 1 1 28 28 THR HA H 28 4.355 4.355 4.618 -0.263 25102
2276 1 16 . 1 1 28 28 THR H H 28 7.251 7.251 7.860 -0.609 25102
2277 1 16 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.404 0.280 25102
2278 1 16 . 1 1 30 30 TRP N N 30 123.786 123.786 127.493 -3.707 25102
2279 1 16 . 1 1 30 30 TRP HA H 30 3.957 3.957 4.037 -0.080 25102
2280 1 16 . 1 1 30 30 TRP H H 30 9.563 9.563 8.673 0.890 25102
2281 1 16 . 1 1 31 31 SER N N 31 111.431 111.431 112.663 -1.232 25102
2282 1 16 . 1 1 31 31 SER HA H 31 3.859 3.859 3.977 -0.118 25102
2283 1 16 . 1 1 31 31 SER H H 31 8.443 8.443 8.069 0.374 25102
2284 1 16 . 1 1 32 32 GLU N N 32 119.555 119.555 121.467 -1.912 25102
2285 1 16 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.097 0.072 25102
2286 1 16 . 1 1 32 32 GLU H H 32 7.594 7.594 7.885 -0.291 25102
2287 1 16 . 1 1 33 33 VAL N N 33 125.616 125.616 121.691 3.925 25102
2288 1 16 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.665 -0.128 25102
2289 1 16 . 1 1 33 33 VAL H H 33 7.063 7.063 7.423 -0.360 25102
2290 1 16 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.458 -0.303 25102
2291 1 16 . 1 1 35 35 ASP N N 35 118.884 118.884 124.665 -5.781 25102
2292 1 16 . 1 1 35 35 ASP HA H 35 4.053 4.053 3.976 0.077 25102
2293 1 16 . 1 1 35 35 ASP H H 35 8.381 8.381 8.680 -0.299 25102
2294 1 16 . 1 1 36 36 ASN N N 36 115.350 115.350 116.761 -1.411 25102
2295 1 16 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.481 0.073 25102
2296 1 16 . 1 1 36 36 ASN H H 36 7.864 7.864 7.849 0.015 25102
2297 1 16 . 1 1 37 37 PHE N N 37 122.004 122.004 119.658 2.346 25102
2298 1 16 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.182 -0.318 25102
2299 1 16 . 1 1 37 37 PHE H H 37 7.397 7.397 8.229 -0.832 25102
2300 1 16 . 1 1 38 38 LEU N N 38 127.420 127.420 123.533 3.887 25102
2301 1 16 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.479 0.245 25102
2302 1 16 . 1 1 38 38 LEU H H 38 7.907 7.907 7.220 0.687 25102
2303 1 16 . 1 1 39 39 CYS N N 39 125.807 125.807 122.855 2.952 25102
2304 1 16 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.334 -0.280 25102
2305 1 16 . 1 1 39 39 CYS H H 39 9.568 9.568 8.802 0.766 25102
2306 1 16 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.238 -0.359 25102
2307 1 16 . 1 1 41 41 GLU N N 41 120.864 120.864 119.094 1.770 25102
2308 1 16 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.250 0.074 25102
2309 1 16 . 1 1 41 41 GLU H H 41 8.422 8.422 8.192 0.230 25102
2310 1 16 . 1 1 42 42 CYS N N 42 121.478 121.478 117.541 3.937 25102
2311 1 16 . 1 1 42 42 CYS HA H 42 4.774 4.774 4.916 -0.142 25102
2312 1 16 . 1 1 42 42 CYS H H 42 8.562 8.562 7.845 0.717 25102
2313 1 16 . 1 1 43 43 SER N N 43 114.585 114.585 114.354 0.231 25102
2314 1 16 . 1 1 43 43 SER HA H 43 4.048 4.048 4.326 -0.278 25102
2315 1 16 . 1 1 43 43 SER H H 43 7.905 7.905 8.094 -0.189 25102
2316 1 16 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.577 0.050 25102
2317 1 16 . 1 1 44 44 LEU H H 44 7.920 7.920 8.205 -0.285 25102
2318 1 16 . 1 1 45 45 GLY N N 45 103.239 103.239 108.683 -5.444 25102
2319 1 16 . 1 1 45 45 GLY H H 45 8.158 8.158 8.955 -0.797 25102
2320 1 16 . 1 1 46 46 LYS N N 46 113.276 113.276 116.101 -2.825 25102
2321 1 16 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.246 -0.132 25102
2322 1 16 . 1 1 46 46 LYS H H 46 8.269 8.269 8.270 -0.001 25102
2323 1 16 . 1 1 47 47 ASP N N 47 115.186 115.186 117.770 -2.584 25102
2324 1 16 . 1 1 47 47 ASP HA H 47 4.493 4.493 4.877 -0.384 25102
2325 1 16 . 1 1 47 47 ASP H H 47 8.910 8.910 8.549 0.361 25102
2326 1 16 . 1 1 48 48 VAL N N 48 110.836 110.836 117.198 -6.362 25102
2327 1 16 . 1 1 48 48 VAL HA H 48 4.607 4.607 4.081 0.526 25102
2328 1 16 . 1 1 48 48 VAL H H 48 7.756 7.756 7.461 0.295 25102
2329 1 16 . 1 1 49 49 PHE N N 49 124.366 124.366 119.745 4.621 25102
2330 1 16 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.111 0.758 25102
2331 1 16 . 1 1 49 49 PHE H H 49 8.064 8.064 8.434 -0.370 25102
2332 1 16 . 1 1 50 50 GLU N N 50 120.147 120.147 122.822 -2.675 25102
2333 1 16 . 1 1 50 50 GLU HA H 50 4.619 4.619 4.058 0.561 25102
2334 1 16 . 1 1 50 50 GLU H H 50 8.729 8.729 8.530 0.199 25102
2335 1 16 . 1 1 51 51 GLU N N 51 123.941 123.941 114.665 9.276 25102
2336 1 16 . 1 1 51 51 GLU HA H 51 4.753 4.753 4.229 0.524 25102
2337 1 16 . 1 1 51 51 GLU H H 51 8.739 8.739 8.397 0.342 25102
2338 1 16 . 1 1 52 52 LEU N N 52 126.863 126.863 120.662 6.201 25102
2339 1 16 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.597 -0.285 25102
2340 1 16 . 1 1 52 52 LEU H H 52 8.207 8.207 7.349 0.858 25102
2341 1 16 . 1 1 53 53 ALA N N 53 128.679 128.679 123.844 4.835 25102
2342 1 16 . 1 1 53 53 ALA HA H 53 4.259 4.259 5.380 -1.121 25102
2343 1 16 . 1 1 53 53 ALA H H 53 8.494 8.494 7.928 0.566 25102
2344 1 16 . 1 1 54 54 SER N N 54 113.369 113.369 115.459 -2.090 25102
2345 1 16 . 1 1 54 54 SER HA H 54 4.706 4.706 4.053 0.653 25102
2346 1 16 . 1 1 54 54 SER H H 54 8.893 8.893 8.863 0.030 25102
2347 1 16 . 1 1 55 55 GLU N N 55 115.612 115.612 122.090 -6.478 25102
2348 1 16 . 1 1 55 55 GLU HA H 55 3.776 3.776 4.025 -0.249 25102
2349 1 16 . 1 1 55 55 GLU H H 55 8.296 8.296 8.319 -0.023 25102
2350 1 16 . 1 1 56 56 ALA N N 56 125.675 125.675 126.406 -0.731 25102
2351 1 16 . 1 1 56 56 ALA HA H 56 4.223 4.223 4.454 -0.231 25102
2352 1 16 . 1 1 56 56 ALA H H 56 8.185 8.185 8.168 0.017 25102
2353 1 17 . 1 1 2 2 PRO HA H 2 4.475 4.475 4.728 -0.253 25102
2354 1 17 . 1 1 3 3 ARG N N 3 117.071 117.071 121.530 -4.459 25102
2355 1 17 . 1 1 3 3 ARG HA H 3 4.625 4.625 4.880 -0.255 25102
2356 1 17 . 1 1 3 3 ARG H H 3 8.107 8.107 8.382 -0.275 25102
2357 1 17 . 1 1 4 4 MET N N 4 117.614 117.614 121.051 -3.437 25102
2358 1 17 . 1 1 4 4 MET HA H 4 5.110 5.110 4.692 0.418 25102
2359 1 17 . 1 1 4 4 MET H H 4 8.381 8.381 8.617 -0.236 25102
2360 1 17 . 1 1 5 5 GLN N N 5 122.654 122.654 119.437 3.217 25102
2361 1 17 . 1 1 5 5 GLN HA H 5 5.037 5.037 4.926 0.111 25102
2362 1 17 . 1 1 5 5 GLN H H 5 9.675 9.675 8.401 1.274 25102
2363 1 17 . 1 1 6 6 CYS N N 6 135.155 135.155 120.866 14.289 25102
2364 1 17 . 1 1 6 6 CYS HA H 6 2.658 2.658 4.220 -1.562 25102
2365 1 17 . 1 1 6 6 CYS H H 6 9.415 9.415 8.682 0.733 25102
2366 1 17 . 1 1 7 7 SER N N 7 125.596 125.596 121.644 3.952 25102
2367 1 17 . 1 1 7 7 SER HA H 7 4.167 4.167 4.396 -0.229 25102
2368 1 17 . 1 1 7 7 SER H H 7 8.147 8.147 8.707 -0.560 25102
2369 1 17 . 1 1 8 8 VAL N N 8 128.046 128.046 120.982 7.064 25102
2370 1 17 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.182 -0.315 25102
2371 1 17 . 1 1 8 8 VAL H H 8 9.074 9.074 8.283 0.791 25102
2372 1 17 . 1 1 9 9 CYS N N 9 124.350 124.350 118.613 5.737 25102
2373 1 17 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.570 0.307 25102
2374 1 17 . 1 1 9 9 CYS H H 9 9.443 9.443 8.359 1.084 25102
2375 1 17 . 1 1 10 10 GLN N N 10 115.176 115.176 120.665 -5.489 25102
2376 1 17 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.160 -0.168 25102
2377 1 17 . 1 1 10 10 GLN H H 10 7.596 7.596 8.216 -0.620 25102
2378 1 17 . 1 1 11 11 TRP N N 11 128.644 128.644 122.492 6.152 25102
2379 1 17 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.893 -0.795 25102
2380 1 17 . 1 1 11 11 TRP H H 11 9.200 9.200 7.804 1.396 25102
2381 1 17 . 1 1 12 12 ILE N N 12 125.601 125.601 129.793 -4.192 25102
2382 1 17 . 1 1 12 12 ILE HA H 12 4.314 4.314 4.182 0.132 25102
2383 1 17 . 1 1 12 12 ILE H H 12 6.788 6.788 8.562 -1.774 25102
2384 1 17 . 1 1 13 13 TYR N N 13 126.171 126.171 130.767 -4.596 25102
2385 1 17 . 1 1 13 13 TYR HA H 13 3.877 3.877 3.921 -0.044 25102
2386 1 17 . 1 1 13 13 TYR H H 13 8.986 8.986 8.544 0.442 25102
2387 1 17 . 1 1 14 14 ASP N N 14 129.316 129.316 127.397 1.919 25102
2388 1 17 . 1 1 14 14 ASP HA H 14 4.835 4.835 4.558 0.277 25102
2389 1 17 . 1 1 14 14 ASP H H 14 8.569 8.569 7.484 1.085 25102
2390 1 17 . 1 1 15 15 PRO HA H 15 3.972 3.972 4.065 -0.093 25102
2391 1 17 . 1 1 16 16 ALA N N 16 117.037 117.037 118.543 -1.506 25102
2392 1 17 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.088 -0.240 25102
2393 1 17 . 1 1 16 16 ALA H H 16 7.923 7.923 7.891 0.032 25102
2394 1 17 . 1 1 17 17 LYS N N 17 115.236 115.236 114.855 0.381 25102
2395 1 17 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.614 -0.360 25102
2396 1 17 . 1 1 17 17 LYS H H 17 7.635 7.635 7.855 -0.220 25102
2397 1 17 . 1 1 18 18 GLY N N 18 105.765 105.765 110.634 -4.869 25102
2398 1 17 . 1 1 18 18 GLY H H 18 7.865 7.865 8.174 -0.309 25102
2399 1 17 . 1 1 19 19 GLU N N 19 122.724 122.724 121.148 1.576 25102
2400 1 17 . 1 1 19 19 GLU HA H 19 5.079 5.079 5.011 0.068 25102
2401 1 17 . 1 1 19 19 GLU H H 19 9.072 9.072 8.325 0.747 25102
2402 1 17 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.361 -0.163 25102
2403 1 17 . 1 1 21 21 MET N N 21 120.818 120.818 115.853 4.965 25102
2404 1 17 . 1 1 21 21 MET HA H 21 4.259 4.259 4.612 -0.353 25102
2405 1 17 . 1 1 21 21 MET H H 21 9.643 9.643 7.817 1.826 25102
2406 1 17 . 1 1 22 22 GLN N N 22 118.335 118.335 119.437 -1.102 25102
2407 1 17 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.547 -0.092 25102
2408 1 17 . 1 1 22 22 GLN H H 22 7.656 7.656 8.133 -0.477 25102
2409 1 17 . 1 1 23 23 ASP N N 23 115.262 115.262 117.405 -2.143 25102
2410 1 17 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.438 -0.274 25102
2411 1 17 . 1 1 23 23 ASP H H 23 7.757 7.757 8.183 -0.426 25102
2412 1 17 . 1 1 24 24 VAL N N 24 119.478 119.478 118.493 0.985 25102
2413 1 17 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.267 -0.104 25102
2414 1 17 . 1 1 24 24 VAL H H 24 7.534 7.534 7.447 0.087 25102
2415 1 17 . 1 1 25 25 ALA N N 25 132.445 132.445 128.745 3.700 25102
2416 1 17 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.574 -0.174 25102
2417 1 17 . 1 1 25 25 ALA H H 25 8.565 8.565 8.332 0.233 25102
2418 1 17 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.470 -0.806 25102
2419 1 17 . 1 1 27 27 GLY N N 27 106.448 106.448 108.896 -2.448 25102
2420 1 17 . 1 1 27 27 GLY H H 27 8.200 8.200 8.724 -0.524 25102
2421 1 17 . 1 1 28 28 THR N N 28 118.305 118.305 114.872 3.433 25102
2422 1 17 . 1 1 28 28 THR HA H 28 4.355 4.355 4.640 -0.285 25102
2423 1 17 . 1 1 28 28 THR H H 28 7.251 7.251 7.810 -0.559 25102
2424 1 17 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.688 -0.004 25102
2425 1 17 . 1 1 30 30 TRP N N 30 123.786 123.786 126.180 -2.394 25102
2426 1 17 . 1 1 30 30 TRP HA H 30 3.957 3.957 3.955 0.002 25102
2427 1 17 . 1 1 30 30 TRP H H 30 9.563 9.563 8.765 0.798 25102
2428 1 17 . 1 1 31 31 SER N N 31 111.431 111.431 113.640 -2.209 25102
2429 1 17 . 1 1 31 31 SER HA H 31 3.859 3.859 4.147 -0.288 25102
2430 1 17 . 1 1 31 31 SER H H 31 8.443 8.443 7.895 0.548 25102
2431 1 17 . 1 1 32 32 GLU N N 32 119.555 119.555 121.070 -1.515 25102
2432 1 17 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.126 0.043 25102
2433 1 17 . 1 1 32 32 GLU H H 32 7.594 7.594 7.996 -0.402 25102
2434 1 17 . 1 1 33 33 VAL N N 33 125.616 125.616 122.587 3.029 25102
2435 1 17 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.605 -0.068 25102
2436 1 17 . 1 1 33 33 VAL H H 33 7.063 7.063 7.432 -0.369 25102
2437 1 17 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.330 -0.175 25102
2438 1 17 . 1 1 35 35 ASP N N 35 118.884 118.884 115.794 3.090 25102
2439 1 17 . 1 1 35 35 ASP HA H 35 4.053 4.053 4.389 -0.336 25102
2440 1 17 . 1 1 35 35 ASP H H 35 8.381 8.381 8.373 0.007 25102
2441 1 17 . 1 1 36 36 ASN N N 36 115.350 115.350 116.864 -1.514 25102
2442 1 17 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.758 -0.204 25102
2443 1 17 . 1 1 36 36 ASN H H 36 7.864 7.864 7.966 -0.102 25102
2444 1 17 . 1 1 37 37 PHE N N 37 122.004 122.004 120.597 1.407 25102
2445 1 17 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.743 -0.879 25102
2446 1 17 . 1 1 37 37 PHE H H 37 7.397 7.397 7.463 -0.066 25102
2447 1 17 . 1 1 38 38 LEU N N 38 127.420 127.420 126.949 0.471 25102
2448 1 17 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.566 0.158 25102
2449 1 17 . 1 1 38 38 LEU H H 38 7.907 7.907 7.656 0.251 25102
2450 1 17 . 1 1 39 39 CYS N N 39 125.807 125.807 123.515 2.292 25102
2451 1 17 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.363 -0.309 25102
2452 1 17 . 1 1 39 39 CYS H H 39 9.568 9.568 9.015 0.553 25102
2453 1 17 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.204 -0.325 25102
2454 1 17 . 1 1 41 41 GLU N N 41 120.864 120.864 117.673 3.191 25102
2455 1 17 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.355 -0.031 25102
2456 1 17 . 1 1 41 41 GLU H H 41 8.422 8.422 7.999 0.423 25102
2457 1 17 . 1 1 42 42 CYS N N 42 121.478 121.478 117.782 3.696 25102
2458 1 17 . 1 1 42 42 CYS HA H 42 4.774 4.774 4.992 -0.218 25102
2459 1 17 . 1 1 42 42 CYS H H 42 8.562 8.562 7.495 1.067 25102
2460 1 17 . 1 1 43 43 SER N N 43 114.585 114.585 118.231 -3.646 25102
2461 1 17 . 1 1 43 43 SER HA H 43 4.048 4.048 3.996 0.052 25102
2462 1 17 . 1 1 43 43 SER H H 43 7.905 7.905 8.678 -0.773 25102
2463 1 17 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.300 0.327 25102
2464 1 17 . 1 1 44 44 LEU H H 44 7.920 7.920 8.079 -0.159 25102
2465 1 17 . 1 1 45 45 GLY N N 45 103.239 103.239 111.205 -7.966 25102
2466 1 17 . 1 1 45 45 GLY H H 45 8.158 8.158 8.727 -0.569 25102
2467 1 17 . 1 1 46 46 LYS N N 46 113.276 113.276 117.981 -4.705 25102
2468 1 17 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.202 -0.088 25102
2469 1 17 . 1 1 46 46 LYS H H 46 8.269 8.269 7.800 0.469 25102
2470 1 17 . 1 1 47 47 ASP N N 47 115.186 115.186 117.285 -2.099 25102
2471 1 17 . 1 1 47 47 ASP HA H 47 4.493 4.493 4.874 -0.381 25102
2472 1 17 . 1 1 47 47 ASP H H 47 8.910 8.910 8.270 0.640 25102
2473 1 17 . 1 1 48 48 VAL N N 48 110.836 110.836 118.591 -7.755 25102
2474 1 17 . 1 1 48 48 VAL HA H 48 4.607 4.607 4.164 0.443 25102
2475 1 17 . 1 1 48 48 VAL H H 48 7.756 7.756 7.779 -0.023 25102
2476 1 17 . 1 1 49 49 PHE N N 49 124.366 124.366 120.575 3.791 25102
2477 1 17 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.074 0.795 25102
2478 1 17 . 1 1 49 49 PHE H H 49 8.064 8.064 8.203 -0.139 25102
2479 1 17 . 1 1 50 50 GLU N N 50 120.147 120.147 121.538 -1.391 25102
2480 1 17 . 1 1 50 50 GLU HA H 50 4.619 4.619 4.099 0.520 25102
2481 1 17 . 1 1 50 50 GLU H H 50 8.729 8.729 8.407 0.322 25102
2482 1 17 . 1 1 51 51 GLU N N 51 123.941 123.941 115.838 8.103 25102
2483 1 17 . 1 1 51 51 GLU HA H 51 4.753 4.753 4.259 0.494 25102
2484 1 17 . 1 1 51 51 GLU H H 51 8.739 8.739 8.402 0.337 25102
2485 1 17 . 1 1 52 52 LEU N N 52 126.863 126.863 121.469 5.394 25102
2486 1 17 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.611 -0.299 25102
2487 1 17 . 1 1 52 52 LEU H H 52 8.207 8.207 7.883 0.324 25102
2488 1 17 . 1 1 53 53 ALA N N 53 128.679 128.679 124.171 4.508 25102
2489 1 17 . 1 1 53 53 ALA HA H 53 4.259 4.259 5.201 -0.942 25102
2490 1 17 . 1 1 53 53 ALA H H 53 8.494 8.494 7.734 0.760 25102
2491 1 17 . 1 1 54 54 SER N N 54 113.369 113.369 114.444 -1.075 25102
2492 1 17 . 1 1 54 54 SER HA H 54 4.706 4.706 4.152 0.554 25102
2493 1 17 . 1 1 54 54 SER H H 54 8.893 8.893 8.820 0.073 25102
2494 1 17 . 1 1 55 55 GLU N N 55 115.612 115.612 124.255 -8.643 25102
2495 1 17 . 1 1 55 55 GLU HA H 55 3.776 3.776 4.250 -0.474 25102
2496 1 17 . 1 1 55 55 GLU H H 55 8.296 8.296 8.515 -0.219 25102
2497 1 17 . 1 1 56 56 ALA N N 56 125.675 125.675 129.073 -3.398 25102
2498 1 17 . 1 1 56 56 ALA HA H 56 4.223 4.223 4.254 -0.031 25102
2499 1 17 . 1 1 56 56 ALA H H 56 8.185 8.185 8.725 -0.540 25102
2500 1 18 . 1 1 2 2 PRO HA H 2 4.475 4.475 4.919 -0.444 25102
2501 1 18 . 1 1 3 3 ARG N N 3 117.071 117.071 120.478 -3.407 25102
2502 1 18 . 1 1 3 3 ARG HA H 3 4.625 4.625 4.966 -0.341 25102
2503 1 18 . 1 1 3 3 ARG H H 3 8.107 8.107 8.328 -0.221 25102
2504 1 18 . 1 1 4 4 MET N N 4 117.614 117.614 121.656 -4.042 25102
2505 1 18 . 1 1 4 4 MET HA H 4 5.110 5.110 4.725 0.385 25102
2506 1 18 . 1 1 4 4 MET H H 4 8.381 8.381 8.283 0.098 25102
2507 1 18 . 1 1 5 5 GLN N N 5 122.654 122.654 121.829 0.825 25102
2508 1 18 . 1 1 5 5 GLN HA H 5 5.037 5.037 4.856 0.181 25102
2509 1 18 . 1 1 5 5 GLN H H 5 9.675 9.675 8.550 1.125 25102
2510 1 18 . 1 1 6 6 CYS N N 6 135.155 135.155 124.061 11.094 25102
2511 1 18 . 1 1 6 6 CYS HA H 6 2.658 2.658 4.091 -1.433 25102
2512 1 18 . 1 1 6 6 CYS H H 6 9.415 9.415 8.172 1.243 25102
2513 1 18 . 1 1 7 7 SER N N 7 125.596 125.596 123.012 2.584 25102
2514 1 18 . 1 1 7 7 SER HA H 7 4.167 4.167 4.563 -0.396 25102
2515 1 18 . 1 1 7 7 SER H H 7 8.147 8.147 8.551 -0.404 25102
2516 1 18 . 1 1 8 8 VAL N N 8 128.046 128.046 121.218 6.828 25102
2517 1 18 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.207 -0.340 25102
2518 1 18 . 1 1 8 8 VAL H H 8 9.074 9.074 7.680 1.394 25102
2519 1 18 . 1 1 9 9 CYS N N 9 124.350 124.350 117.965 6.385 25102
2520 1 18 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.657 0.220 25102
2521 1 18 . 1 1 9 9 CYS H H 9 9.443 9.443 7.831 1.612 25102
2522 1 18 . 1 1 10 10 GLN N N 10 115.176 115.176 120.358 -5.182 25102
2523 1 18 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.175 -0.183 25102
2524 1 18 . 1 1 10 10 GLN H H 10 7.596 7.596 7.786 -0.190 25102
2525 1 18 . 1 1 11 11 TRP N N 11 128.644 128.644 125.116 3.528 25102
2526 1 18 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.970 -0.872 25102
2527 1 18 . 1 1 11 11 TRP H H 11 9.200 9.200 8.309 0.891 25102
2528 1 18 . 1 1 12 12 ILE N N 12 125.601 125.601 129.611 -4.010 25102
2529 1 18 . 1 1 12 12 ILE HA H 12 4.314 4.314 4.344 -0.030 25102
2530 1 18 . 1 1 12 12 ILE H H 12 6.788 6.788 8.524 -1.736 25102
2531 1 18 . 1 1 13 13 TYR N N 13 126.171 126.171 131.242 -5.071 25102
2532 1 18 . 1 1 13 13 TYR HA H 13 3.877 3.877 4.026 -0.149 25102
2533 1 18 . 1 1 13 13 TYR H H 13 8.986 8.986 9.229 -0.243 25102
2534 1 18 . 1 1 14 14 ASP N N 14 129.316 129.316 127.847 1.469 25102
2535 1 18 . 1 1 14 14 ASP HA H 14 4.835 4.835 4.800 0.035 25102
2536 1 18 . 1 1 14 14 ASP H H 14 8.569 8.569 7.630 0.939 25102
2537 1 18 . 1 1 15 15 PRO HA H 15 3.972 3.972 4.011 -0.039 25102
2538 1 18 . 1 1 16 16 ALA N N 16 117.037 117.037 118.223 -1.186 25102
2539 1 18 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.159 -0.311 25102
2540 1 18 . 1 1 16 16 ALA H H 16 7.923 7.923 8.325 -0.402 25102
2541 1 18 . 1 1 17 17 LYS N N 17 115.236 115.236 114.628 0.608 25102
2542 1 18 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.526 -0.272 25102
2543 1 18 . 1 1 17 17 LYS H H 17 7.635 7.635 7.931 -0.296 25102
2544 1 18 . 1 1 18 18 GLY N N 18 105.765 105.765 111.367 -5.602 25102
2545 1 18 . 1 1 18 18 GLY H H 18 7.865 7.865 8.802 -0.937 25102
2546 1 18 . 1 1 19 19 GLU N N 19 122.724 122.724 121.126 1.598 25102
2547 1 18 . 1 1 19 19 GLU HA H 19 5.079 5.079 4.920 0.159 25102
2548 1 18 . 1 1 19 19 GLU H H 19 9.072 9.072 8.113 0.959 25102
2549 1 18 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.630 -0.432 25102
2550 1 18 . 1 1 21 21 MET N N 21 120.818 120.818 116.521 4.297 25102
2551 1 18 . 1 1 21 21 MET HA H 21 4.259 4.259 4.763 -0.504 25102
2552 1 18 . 1 1 21 21 MET H H 21 9.643 9.643 7.763 1.880 25102
2553 1 18 . 1 1 22 22 GLN N N 22 118.335 118.335 120.114 -1.779 25102
2554 1 18 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.462 -0.007 25102
2555 1 18 . 1 1 22 22 GLN H H 22 7.656 7.656 7.934 -0.278 25102
2556 1 18 . 1 1 23 23 ASP N N 23 115.262 115.262 116.801 -1.539 25102
2557 1 18 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.534 -0.370 25102
2558 1 18 . 1 1 23 23 ASP H H 23 7.757 7.757 8.516 -0.759 25102
2559 1 18 . 1 1 24 24 VAL N N 24 119.478 119.478 119.482 -0.004 25102
2560 1 18 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.255 -0.092 25102
2561 1 18 . 1 1 24 24 VAL H H 24 7.534 7.534 7.735 -0.201 25102
2562 1 18 . 1 1 25 25 ALA N N 25 132.445 132.445 129.409 3.036 25102
2563 1 18 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.611 -0.211 25102
2564 1 18 . 1 1 25 25 ALA H H 25 8.565 8.565 8.147 0.418 25102
2565 1 18 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.200 -0.536 25102
2566 1 18 . 1 1 27 27 GLY N N 27 106.448 106.448 107.822 -1.374 25102
2567 1 18 . 1 1 27 27 GLY H H 27 8.200 8.200 8.668 -0.468 25102
2568 1 18 . 1 1 28 28 THR N N 28 118.305 118.305 116.249 2.056 25102
2569 1 18 . 1 1 28 28 THR HA H 28 4.355 4.355 4.666 -0.311 25102
2570 1 18 . 1 1 28 28 THR H H 28 7.251 7.251 7.950 -0.699 25102
2571 1 18 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.387 0.297 25102
2572 1 18 . 1 1 30 30 TRP N N 30 123.786 123.786 125.880 -2.094 25102
2573 1 18 . 1 1 30 30 TRP HA H 30 3.957 3.957 4.043 -0.086 25102
2574 1 18 . 1 1 30 30 TRP H H 30 9.563 9.563 8.737 0.826 25102
2575 1 18 . 1 1 31 31 SER N N 31 111.431 111.431 112.802 -1.371 25102
2576 1 18 . 1 1 31 31 SER HA H 31 3.859 3.859 4.090 -0.231 25102
2577 1 18 . 1 1 31 31 SER H H 31 8.443 8.443 7.842 0.601 25102
2578 1 18 . 1 1 32 32 GLU N N 32 119.555 119.555 119.846 -0.291 25102
2579 1 18 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.122 0.047 25102
2580 1 18 . 1 1 32 32 GLU H H 32 7.594 7.594 7.830 -0.236 25102
2581 1 18 . 1 1 33 33 VAL N N 33 125.616 125.616 122.225 3.391 25102
2582 1 18 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.651 -0.114 25102
2583 1 18 . 1 1 33 33 VAL H H 33 7.063 7.063 7.525 -0.462 25102
2584 1 18 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.283 -0.128 25102
2585 1 18 . 1 1 35 35 ASP N N 35 118.884 118.884 115.528 3.356 25102
2586 1 18 . 1 1 35 35 ASP HA H 35 4.053 4.053 4.396 -0.343 25102
2587 1 18 . 1 1 35 35 ASP H H 35 8.381 8.381 8.447 -0.066 25102
2588 1 18 . 1 1 36 36 ASN N N 36 115.350 115.350 117.830 -2.480 25102
2589 1 18 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.737 -0.183 25102
2590 1 18 . 1 1 36 36 ASN H H 36 7.864 7.864 8.017 -0.153 25102
2591 1 18 . 1 1 37 37 PHE N N 37 122.004 122.004 120.325 1.679 25102
2592 1 18 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.830 -0.966 25102
2593 1 18 . 1 1 37 37 PHE H H 37 7.397 7.397 7.403 -0.006 25102
2594 1 18 . 1 1 38 38 LEU N N 38 127.420 127.420 124.911 2.509 25102
2595 1 18 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.668 0.056 25102
2596 1 18 . 1 1 38 38 LEU H H 38 7.907 7.907 7.520 0.387 25102
2597 1 18 . 1 1 39 39 CYS N N 39 125.807 125.807 122.331 3.476 25102
2598 1 18 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.407 -0.353 25102
2599 1 18 . 1 1 39 39 CYS H H 39 9.568 9.568 8.962 0.606 25102
2600 1 18 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.200 -0.321 25102
2601 1 18 . 1 1 41 41 GLU N N 41 120.864 120.864 116.431 4.433 25102
2602 1 18 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.427 -0.103 25102
2603 1 18 . 1 1 41 41 GLU H H 41 8.422 8.422 8.489 -0.067 25102
2604 1 18 . 1 1 42 42 CYS N N 42 121.478 121.478 116.712 4.766 25102
2605 1 18 . 1 1 42 42 CYS HA H 42 4.774 4.774 4.555 0.219 25102
2606 1 18 . 1 1 42 42 CYS H H 42 8.562 8.562 7.415 1.147 25102
2607 1 18 . 1 1 43 43 SER N N 43 114.585 114.585 116.349 -1.764 25102
2608 1 18 . 1 1 43 43 SER HA H 43 4.048 4.048 4.145 -0.097 25102
2609 1 18 . 1 1 43 43 SER H H 43 7.905 7.905 7.993 -0.088 25102
2610 1 18 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.649 -0.022 25102
2611 1 18 . 1 1 44 44 LEU H H 44 7.920 7.920 8.040 -0.120 25102
2612 1 18 . 1 1 45 45 GLY N N 45 103.239 103.239 106.337 -3.098 25102
2613 1 18 . 1 1 45 45 GLY H H 45 8.158 8.158 8.636 -0.478 25102
2614 1 18 . 1 1 46 46 LYS N N 46 113.276 113.276 117.965 -4.689 25102
2615 1 18 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.253 -0.139 25102
2616 1 18 . 1 1 46 46 LYS H H 46 8.269 8.269 8.239 0.030 25102
2617 1 18 . 1 1 47 47 ASP N N 47 115.186 115.186 118.219 -3.033 25102
2618 1 18 . 1 1 47 47 ASP HA H 47 4.493 4.493 4.913 -0.420 25102
2619 1 18 . 1 1 47 47 ASP H H 47 8.910 8.910 8.369 0.541 25102
2620 1 18 . 1 1 48 48 VAL N N 48 110.836 110.836 118.348 -7.512 25102
2621 1 18 . 1 1 48 48 VAL HA H 48 4.607 4.607 4.150 0.457 25102
2622 1 18 . 1 1 48 48 VAL H H 48 7.756 7.756 7.893 -0.137 25102
2623 1 18 . 1 1 49 49 PHE N N 49 124.366 124.366 121.277 3.089 25102
2624 1 18 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.077 0.792 25102
2625 1 18 . 1 1 49 49 PHE H H 49 8.064 8.064 8.284 -0.220 25102
2626 1 18 . 1 1 50 50 GLU N N 50 120.147 120.147 123.635 -3.488 25102
2627 1 18 . 1 1 50 50 GLU HA H 50 4.619 4.619 4.054 0.565 25102
2628 1 18 . 1 1 50 50 GLU H H 50 8.729 8.729 8.224 0.505 25102
2629 1 18 . 1 1 51 51 GLU N N 51 123.941 123.941 115.586 8.355 25102
2630 1 18 . 1 1 51 51 GLU HA H 51 4.753 4.753 4.128 0.625 25102
2631 1 18 . 1 1 51 51 GLU H H 51 8.739 8.739 8.308 0.431 25102
2632 1 18 . 1 1 52 52 LEU N N 52 126.863 126.863 122.322 4.541 25102
2633 1 18 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.511 -0.199 25102
2634 1 18 . 1 1 52 52 LEU H H 52 8.207 8.207 7.797 0.410 25102
2635 1 18 . 1 1 53 53 ALA N N 53 128.679 128.679 123.412 5.267 25102
2636 1 18 . 1 1 53 53 ALA HA H 53 4.259 4.259 5.311 -1.052 25102
2637 1 18 . 1 1 53 53 ALA H H 53 8.494 8.494 7.882 0.612 25102
2638 1 18 . 1 1 54 54 SER N N 54 113.369 113.369 113.732 -0.363 25102
2639 1 18 . 1 1 54 54 SER HA H 54 4.706 4.706 4.234 0.472 25102
2640 1 18 . 1 1 54 54 SER H H 54 8.893 8.893 8.660 0.233 25102
2641 1 18 . 1 1 55 55 GLU N N 55 115.612 115.612 123.955 -8.343 25102
2642 1 18 . 1 1 55 55 GLU HA H 55 3.776 3.776 4.265 -0.489 25102
2643 1 18 . 1 1 55 55 GLU H H 55 8.296 8.296 8.553 -0.257 25102
2644 1 18 . 1 1 56 56 ALA N N 56 125.675 125.675 128.013 -2.338 25102
2645 1 18 . 1 1 56 56 ALA HA H 56 4.223 4.223 4.302 -0.079 25102
2646 1 18 . 1 1 56 56 ALA H H 56 8.185 8.185 8.628 -0.443 25102
2647 1 19 . 1 1 2 2 PRO HA H 2 4.475 4.475 4.714 -0.239 25102
2648 1 19 . 1 1 3 3 ARG N N 3 117.071 117.071 120.982 -3.911 25102
2649 1 19 . 1 1 3 3 ARG HA H 3 4.625 4.625 5.147 -0.522 25102
2650 1 19 . 1 1 3 3 ARG H H 3 8.107 8.107 8.395 -0.288 25102
2651 1 19 . 1 1 4 4 MET N N 4 117.614 117.614 121.907 -4.293 25102
2652 1 19 . 1 1 4 4 MET HA H 4 5.110 5.110 4.760 0.350 25102
2653 1 19 . 1 1 4 4 MET H H 4 8.381 8.381 8.181 0.200 25102
2654 1 19 . 1 1 5 5 GLN N N 5 122.654 122.654 117.329 5.325 25102
2655 1 19 . 1 1 5 5 GLN HA H 5 5.037 5.037 5.551 -0.514 25102
2656 1 19 . 1 1 5 5 GLN H H 5 9.675 9.675 8.414 1.261 25102
2657 1 19 . 1 1 6 6 CYS N N 6 135.155 135.155 118.336 16.819 25102
2658 1 19 . 1 1 6 6 CYS HA H 6 2.658 2.658 4.415 -1.757 25102
2659 1 19 . 1 1 6 6 CYS H H 6 9.415 9.415 8.658 0.757 25102
2660 1 19 . 1 1 7 7 SER N N 7 125.596 125.596 121.483 4.113 25102
2661 1 19 . 1 1 7 7 SER HA H 7 4.167 4.167 4.413 -0.246 25102
2662 1 19 . 1 1 7 7 SER H H 7 8.147 8.147 8.860 -0.713 25102
2663 1 19 . 1 1 8 8 VAL N N 8 128.046 128.046 120.227 7.819 25102
2664 1 19 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.165 -0.298 25102
2665 1 19 . 1 1 8 8 VAL H H 8 9.074 9.074 8.261 0.813 25102
2666 1 19 . 1 1 9 9 CYS N N 9 124.350 124.350 117.548 6.802 25102
2667 1 19 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.765 0.112 25102
2668 1 19 . 1 1 9 9 CYS H H 9 9.443 9.443 8.394 1.049 25102
2669 1 19 . 1 1 10 10 GLN N N 10 115.176 115.176 119.216 -4.040 25102
2670 1 19 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.115 -0.123 25102
2671 1 19 . 1 1 10 10 GLN H H 10 7.596 7.596 8.292 -0.696 25102
2672 1 19 . 1 1 11 11 TRP N N 11 128.644 128.644 121.615 7.029 25102
2673 1 19 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.890 -0.792 25102
2674 1 19 . 1 1 11 11 TRP H H 11 9.200 9.200 7.771 1.429 25102
2675 1 19 . 1 1 12 12 ILE N N 12 125.601 125.601 128.152 -2.551 25102
2676 1 19 . 1 1 12 12 ILE HA H 12 4.314 4.314 4.404 -0.090 25102
2677 1 19 . 1 1 12 12 ILE H H 12 6.788 6.788 8.339 -1.551 25102
2678 1 19 . 1 1 13 13 TYR N N 13 126.171 126.171 129.834 -3.663 25102
2679 1 19 . 1 1 13 13 TYR HA H 13 3.877 3.877 4.066 -0.189 25102
2680 1 19 . 1 1 13 13 TYR H H 13 8.986 8.986 8.900 0.086 25102
2681 1 19 . 1 1 14 14 ASP N N 14 129.316 129.316 129.380 -0.064 25102
2682 1 19 . 1 1 14 14 ASP HA H 14 4.835 4.835 4.905 -0.070 25102
2683 1 19 . 1 1 14 14 ASP H H 14 8.569 8.569 8.001 0.568 25102
2684 1 19 . 1 1 15 15 PRO HA H 15 3.972 3.972 4.120 -0.148 25102
2685 1 19 . 1 1 16 16 ALA N N 16 117.037 117.037 117.394 -0.357 25102
2686 1 19 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.116 -0.268 25102
2687 1 19 . 1 1 16 16 ALA H H 16 7.923 7.923 8.432 -0.509 25102
2688 1 19 . 1 1 17 17 LYS N N 17 115.236 115.236 114.434 0.802 25102
2689 1 19 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.595 -0.341 25102
2690 1 19 . 1 1 17 17 LYS H H 17 7.635 7.635 8.113 -0.478 25102
2691 1 19 . 1 1 18 18 GLY N N 18 105.765 105.765 109.912 -4.147 25102
2692 1 19 . 1 1 18 18 GLY H H 18 7.865 7.865 8.229 -0.364 25102
2693 1 19 . 1 1 19 19 GLU N N 19 122.724 122.724 122.293 0.431 25102
2694 1 19 . 1 1 19 19 GLU HA H 19 5.079 5.079 4.986 0.093 25102
2695 1 19 . 1 1 19 19 GLU H H 19 9.072 9.072 8.356 0.716 25102
2696 1 19 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.510 -0.312 25102
2697 1 19 . 1 1 21 21 MET N N 21 120.818 120.818 115.098 5.720 25102
2698 1 19 . 1 1 21 21 MET HA H 21 4.259 4.259 4.174 0.085 25102
2699 1 19 . 1 1 21 21 MET H H 21 9.643 9.643 8.577 1.066 25102
2700 1 19 . 1 1 22 22 GLN N N 22 118.335 118.335 118.083 0.252 25102
2701 1 19 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.440 0.015 25102
2702 1 19 . 1 1 22 22 GLN H H 22 7.656 7.656 8.200 -0.544 25102
2703 1 19 . 1 1 23 23 ASP N N 23 115.262 115.262 117.201 -1.939 25102
2704 1 19 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.457 -0.293 25102
2705 1 19 . 1 1 23 23 ASP H H 23 7.757 7.757 8.424 -0.667 25102
2706 1 19 . 1 1 24 24 VAL N N 24 119.478 119.478 118.476 1.002 25102
2707 1 19 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.271 -0.108 25102
2708 1 19 . 1 1 24 24 VAL H H 24 7.534 7.534 7.669 -0.135 25102
2709 1 19 . 1 1 25 25 ALA N N 25 132.445 132.445 128.835 3.610 25102
2710 1 19 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.694 -0.294 25102
2711 1 19 . 1 1 25 25 ALA H H 25 8.565 8.565 8.325 0.240 25102
2712 1 19 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.224 -0.560 25102
2713 1 19 . 1 1 27 27 GLY N N 27 106.448 106.448 110.231 -3.783 25102
2714 1 19 . 1 1 27 27 GLY H H 27 8.200 8.200 8.799 -0.599 25102
2715 1 19 . 1 1 28 28 THR N N 28 118.305 118.305 114.708 3.597 25102
2716 1 19 . 1 1 28 28 THR HA H 28 4.355 4.355 4.669 -0.314 25102
2717 1 19 . 1 1 28 28 THR H H 28 7.251 7.251 7.743 -0.492 25102
2718 1 19 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.685 -0.001 25102
2719 1 19 . 1 1 30 30 TRP N N 30 123.786 123.786 126.204 -2.418 25102
2720 1 19 . 1 1 30 30 TRP HA H 30 3.957 3.957 4.045 -0.088 25102
2721 1 19 . 1 1 30 30 TRP H H 30 9.563 9.563 8.723 0.840 25102
2722 1 19 . 1 1 31 31 SER N N 31 111.431 111.431 111.074 0.357 25102
2723 1 19 . 1 1 31 31 SER HA H 31 3.859 3.859 4.131 -0.272 25102
2724 1 19 . 1 1 31 31 SER H H 31 8.443 8.443 8.104 0.339 25102
2725 1 19 . 1 1 32 32 GLU N N 32 119.555 119.555 121.053 -1.498 25102
2726 1 19 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.161 0.008 25102
2727 1 19 . 1 1 32 32 GLU H H 32 7.594 7.594 7.951 -0.357 25102
2728 1 19 . 1 1 33 33 VAL N N 33 125.616 125.616 123.014 2.602 25102
2729 1 19 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.637 -0.100 25102
2730 1 19 . 1 1 33 33 VAL H H 33 7.063 7.063 7.366 -0.303 25102
2731 1 19 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.280 -0.125 25102
2732 1 19 . 1 1 35 35 ASP N N 35 118.884 118.884 124.891 -6.007 25102
2733 1 19 . 1 1 35 35 ASP HA H 35 4.053 4.053 4.166 -0.113 25102
2734 1 19 . 1 1 35 35 ASP H H 35 8.381 8.381 8.487 -0.106 25102
2735 1 19 . 1 1 36 36 ASN N N 36 115.350 115.350 120.917 -5.567 25102
2736 1 19 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.499 0.055 25102
2737 1 19 . 1 1 36 36 ASN H H 36 7.864 7.864 8.086 -0.222 25102
2738 1 19 . 1 1 37 37 PHE N N 37 122.004 122.004 122.827 -0.823 25102
2739 1 19 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.093 -0.229 25102
2740 1 19 . 1 1 37 37 PHE H H 37 7.397 7.397 7.612 -0.215 25102
2741 1 19 . 1 1 38 38 LEU N N 38 127.420 127.420 127.100 0.320 25102
2742 1 19 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.497 0.227 25102
2743 1 19 . 1 1 38 38 LEU H H 38 7.907 7.907 7.572 0.335 25102
2744 1 19 . 1 1 39 39 CYS N N 39 125.807 125.807 123.483 2.324 25102
2745 1 19 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.371 -0.317 25102
2746 1 19 . 1 1 39 39 CYS H H 39 9.568 9.568 8.881 0.687 25102
2747 1 19 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.233 -0.354 25102
2748 1 19 . 1 1 41 41 GLU N N 41 120.864 120.864 117.672 3.192 25102
2749 1 19 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.358 -0.034 25102
2750 1 19 . 1 1 41 41 GLU H H 41 8.422 8.422 8.084 0.338 25102
2751 1 19 . 1 1 42 42 CYS N N 42 121.478 121.478 118.315 3.163 25102
2752 1 19 . 1 1 42 42 CYS HA H 42 4.774 4.774 4.960 -0.186 25102
2753 1 19 . 1 1 42 42 CYS H H 42 8.562 8.562 7.418 1.144 25102
2754 1 19 . 1 1 43 43 SER N N 43 114.585 114.585 115.047 -0.462 25102
2755 1 19 . 1 1 43 43 SER HA H 43 4.048 4.048 4.089 -0.041 25102
2756 1 19 . 1 1 43 43 SER H H 43 7.905 7.905 8.106 -0.201 25102
2757 1 19 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.656 -0.029 25102
2758 1 19 . 1 1 44 44 LEU H H 44 7.920 7.920 8.068 -0.148 25102
2759 1 19 . 1 1 45 45 GLY N N 45 103.239 103.239 106.131 -2.892 25102
2760 1 19 . 1 1 45 45 GLY H H 45 8.158 8.158 8.682 -0.524 25102
2761 1 19 . 1 1 46 46 LYS N N 46 113.276 113.276 117.266 -3.990 25102
2762 1 19 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.357 -0.243 25102
2763 1 19 . 1 1 46 46 LYS H H 46 8.269 8.269 8.282 -0.013 25102
2764 1 19 . 1 1 47 47 ASP N N 47 115.186 115.186 118.276 -3.090 25102
2765 1 19 . 1 1 47 47 ASP HA H 47 4.493 4.493 4.798 -0.305 25102
2766 1 19 . 1 1 47 47 ASP H H 47 8.910 8.910 8.374 0.536 25102
2767 1 19 . 1 1 48 48 VAL N N 48 110.836 110.836 117.932 -7.096 25102
2768 1 19 . 1 1 48 48 VAL HA H 48 4.607 4.607 4.164 0.443 25102
2769 1 19 . 1 1 48 48 VAL H H 48 7.756 7.756 7.690 0.066 25102
2770 1 19 . 1 1 49 49 PHE N N 49 124.366 124.366 121.812 2.554 25102
2771 1 19 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.083 0.786 25102
2772 1 19 . 1 1 49 49 PHE H H 49 8.064 8.064 8.176 -0.112 25102
2773 1 19 . 1 1 50 50 GLU N N 50 120.147 120.147 124.779 -4.632 25102
2774 1 19 . 1 1 50 50 GLU HA H 50 4.619 4.619 4.371 0.248 25102
2775 1 19 . 1 1 50 50 GLU H H 50 8.729 8.729 7.852 0.877 25102
2776 1 19 . 1 1 51 51 GLU N N 51 123.941 123.941 117.747 6.194 25102
2777 1 19 . 1 1 51 51 GLU HA H 51 4.753 4.753 3.979 0.774 25102
2778 1 19 . 1 1 51 51 GLU H H 51 8.739 8.739 8.322 0.417 25102
2779 1 19 . 1 1 52 52 LEU N N 52 126.863 126.863 113.574 13.289 25102
2780 1 19 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.610 -0.298 25102
2781 1 19 . 1 1 52 52 LEU H H 52 8.207 8.207 8.332 -0.125 25102
2782 1 19 . 1 1 53 53 ALA N N 53 128.679 128.679 120.035 8.644 25102
2783 1 19 . 1 1 53 53 ALA HA H 53 4.259 4.259 5.289 -1.030 25102
2784 1 19 . 1 1 53 53 ALA H H 53 8.494 8.494 7.987 0.507 25102
2785 1 19 . 1 1 54 54 SER N N 54 113.369 113.369 113.451 -0.082 25102
2786 1 19 . 1 1 54 54 SER HA H 54 4.706 4.706 4.238 0.468 25102
2787 1 19 . 1 1 54 54 SER H H 54 8.893 8.893 8.556 0.337 25102
2788 1 19 . 1 1 55 55 GLU N N 55 115.612 115.612 123.211 -7.599 25102
2789 1 19 . 1 1 55 55 GLU HA H 55 3.776 3.776 4.544 -0.768 25102
2790 1 19 . 1 1 55 55 GLU H H 55 8.296 8.296 8.457 -0.161 25102
2791 1 19 . 1 1 56 56 ALA N N 56 125.675 125.675 127.147 -1.472 25102
2792 1 19 . 1 1 56 56 ALA HA H 56 4.223 4.223 4.521 -0.298 25102
2793 1 19 . 1 1 56 56 ALA H H 56 8.185 8.185 8.331 -0.146 25102
2794 1 20 . 1 1 2 2 PRO HA H 2 4.475 4.475 4.740 -0.265 25102
2795 1 20 . 1 1 3 3 ARG N N 3 117.071 117.071 119.585 -2.514 25102
2796 1 20 . 1 1 3 3 ARG HA H 3 4.625 4.625 5.108 -0.483 25102
2797 1 20 . 1 1 3 3 ARG H H 3 8.107 8.107 8.234 -0.127 25102
2798 1 20 . 1 1 4 4 MET N N 4 117.614 117.614 120.269 -2.655 25102
2799 1 20 . 1 1 4 4 MET HA H 4 5.110 5.110 4.720 0.390 25102
2800 1 20 . 1 1 4 4 MET H H 4 8.381 8.381 8.246 0.135 25102
2801 1 20 . 1 1 5 5 GLN N N 5 122.654 122.654 118.626 4.028 25102
2802 1 20 . 1 1 5 5 GLN HA H 5 5.037 5.037 5.548 -0.511 25102
2803 1 20 . 1 1 5 5 GLN H H 5 9.675 9.675 8.219 1.456 25102
2804 1 20 . 1 1 6 6 CYS N N 6 135.155 135.155 119.284 15.871 25102
2805 1 20 . 1 1 6 6 CYS HA H 6 2.658 2.658 4.570 -1.912 25102
2806 1 20 . 1 1 6 6 CYS H H 6 9.415 9.415 8.404 1.011 25102
2807 1 20 . 1 1 7 7 SER N N 7 125.596 125.596 118.861 6.735 25102
2808 1 20 . 1 1 7 7 SER HA H 7 4.167 4.167 4.505 -0.338 25102
2809 1 20 . 1 1 7 7 SER H H 7 8.147 8.147 8.463 -0.316 25102
2810 1 20 . 1 1 8 8 VAL N N 8 128.046 128.046 122.250 5.796 25102
2811 1 20 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.208 -0.342 25102
2812 1 20 . 1 1 8 8 VAL H H 8 9.074 9.074 7.856 1.218 25102
2813 1 20 . 1 1 9 9 CYS N N 9 124.350 124.350 119.827 4.523 25102
2814 1 20 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.603 0.274 25102
2815 1 20 . 1 1 9 9 CYS H H 9 9.443 9.443 8.373 1.070 25102
2816 1 20 . 1 1 10 10 GLN N N 10 115.176 115.176 119.484 -4.308 25102
2817 1 20 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.133 -0.141 25102
2818 1 20 . 1 1 10 10 GLN H H 10 7.596 7.596 8.358 -0.762 25102
2819 1 20 . 1 1 11 11 TRP N N 11 128.644 128.644 121.330 7.314 25102
2820 1 20 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.894 -0.796 25102
2821 1 20 . 1 1 11 11 TRP H H 11 9.200 9.200 7.745 1.455 25102
2822 1 20 . 1 1 12 12 ILE N N 12 125.601 125.601 127.756 -2.155 25102
2823 1 20 . 1 1 12 12 ILE HA H 12 4.314 4.314 4.313 0.001 25102
2824 1 20 . 1 1 12 12 ILE H H 12 6.788 6.788 8.153 -1.365 25102
2825 1 20 . 1 1 13 13 TYR N N 13 126.171 126.171 130.119 -3.948 25102
2826 1 20 . 1 1 13 13 TYR HA H 13 3.877 3.877 3.899 -0.022 25102
2827 1 20 . 1 1 13 13 TYR H H 13 8.986 8.986 8.765 0.221 25102
2828 1 20 . 1 1 14 14 ASP N N 14 129.316 129.316 129.213 0.103 25102
2829 1 20 . 1 1 14 14 ASP HA H 14 4.835 4.835 4.848 -0.013 25102
2830 1 20 . 1 1 14 14 ASP H H 14 8.569 8.569 7.792 0.777 25102
2831 1 20 . 1 1 15 15 PRO HA H 15 3.972 3.972 4.136 -0.164 25102
2832 1 20 . 1 1 16 16 ALA N N 16 117.037 117.037 118.676 -1.639 25102
2833 1 20 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.166 -0.318 25102
2834 1 20 . 1 1 16 16 ALA H H 16 7.923 7.923 8.332 -0.409 25102
2835 1 20 . 1 1 17 17 LYS N N 17 115.236 115.236 114.346 0.890 25102
2836 1 20 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.631 -0.377 25102
2837 1 20 . 1 1 17 17 LYS H H 17 7.635 7.635 8.035 -0.400 25102
2838 1 20 . 1 1 18 18 GLY N N 18 105.765 105.765 109.383 -3.618 25102
2839 1 20 . 1 1 18 18 GLY H H 18 7.865 7.865 7.924 -0.059 25102
2840 1 20 . 1 1 19 19 GLU N N 19 122.724 122.724 120.845 1.879 25102
2841 1 20 . 1 1 19 19 GLU HA H 19 5.079 5.079 5.002 0.077 25102
2842 1 20 . 1 1 19 19 GLU H H 19 9.072 9.072 8.408 0.664 25102
2843 1 20 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.330 -0.132 25102
2844 1 20 . 1 1 21 21 MET N N 21 120.818 120.818 115.584 5.234 25102
2845 1 20 . 1 1 21 21 MET HA H 21 4.259 4.259 4.628 -0.369 25102
2846 1 20 . 1 1 21 21 MET H H 21 9.643 9.643 7.852 1.791 25102
2847 1 20 . 1 1 22 22 GLN N N 22 118.335 118.335 119.445 -1.110 25102
2848 1 20 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.520 -0.065 25102
2849 1 20 . 1 1 22 22 GLN H H 22 7.656 7.656 8.282 -0.626 25102
2850 1 20 . 1 1 23 23 ASP N N 23 115.262 115.262 115.705 -0.443 25102
2851 1 20 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.425 -0.261 25102
2852 1 20 . 1 1 23 23 ASP H H 23 7.757 7.757 7.961 -0.204 25102
2853 1 20 . 1 1 24 24 VAL N N 24 119.478 119.478 116.692 2.786 25102
2854 1 20 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.348 -0.185 25102
2855 1 20 . 1 1 24 24 VAL H H 24 7.534 7.534 7.453 0.081 25102
2856 1 20 . 1 1 25 25 ALA N N 25 132.445 132.445 128.638 3.807 25102
2857 1 20 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.840 -0.440 25102
2858 1 20 . 1 1 25 25 ALA H H 25 8.565 8.565 8.398 0.167 25102
2859 1 20 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.210 -0.546 25102
2860 1 20 . 1 1 27 27 GLY N N 27 106.448 106.448 108.221 -1.773 25102
2861 1 20 . 1 1 27 27 GLY H H 27 8.200 8.200 8.688 -0.488 25102
2862 1 20 . 1 1 28 28 THR N N 28 118.305 118.305 115.650 2.655 25102
2863 1 20 . 1 1 28 28 THR HA H 28 4.355 4.355 4.611 -0.256 25102
2864 1 20 . 1 1 28 28 THR H H 28 7.251 7.251 7.785 -0.534 25102
2865 1 20 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.613 0.071 25102
2866 1 20 . 1 1 30 30 TRP N N 30 123.786 123.786 127.655 -3.869 25102
2867 1 20 . 1 1 30 30 TRP HA H 30 3.957 3.957 3.992 -0.035 25102
2868 1 20 . 1 1 30 30 TRP H H 30 9.563 9.563 8.902 0.661 25102
2869 1 20 . 1 1 31 31 SER N N 31 111.431 111.431 114.960 -3.529 25102
2870 1 20 . 1 1 31 31 SER HA H 31 3.859 3.859 3.977 -0.118 25102
2871 1 20 . 1 1 31 31 SER H H 31 8.443 8.443 8.058 0.385 25102
2872 1 20 . 1 1 32 32 GLU N N 32 119.555 119.555 120.612 -1.057 25102
2873 1 20 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.091 0.078 25102
2874 1 20 . 1 1 32 32 GLU H H 32 7.594 7.594 8.051 -0.457 25102
2875 1 20 . 1 1 33 33 VAL N N 33 125.616 125.616 122.134 3.482 25102
2876 1 20 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.684 -0.147 25102
2877 1 20 . 1 1 33 33 VAL H H 33 7.063 7.063 7.731 -0.668 25102
2878 1 20 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.273 -0.118 25102
2879 1 20 . 1 1 35 35 ASP N N 35 118.884 118.884 125.662 -6.778 25102
2880 1 20 . 1 1 35 35 ASP HA H 35 4.053 4.053 4.259 -0.206 25102
2881 1 20 . 1 1 35 35 ASP H H 35 8.381 8.381 8.451 -0.070 25102
2882 1 20 . 1 1 36 36 ASN N N 36 115.350 115.350 121.979 -6.629 25102
2883 1 20 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.543 0.011 25102
2884 1 20 . 1 1 36 36 ASN H H 36 7.864 7.864 8.224 -0.360 25102
2885 1 20 . 1 1 37 37 PHE N N 37 122.004 122.004 123.239 -1.235 25102
2886 1 20 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.238 -0.374 25102
2887 1 20 . 1 1 37 37 PHE H H 37 7.397 7.397 7.649 -0.252 25102
2888 1 20 . 1 1 38 38 LEU N N 38 127.420 127.420 128.514 -1.094 25102
2889 1 20 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.484 0.240 25102
2890 1 20 . 1 1 38 38 LEU H H 38 7.907 7.907 7.265 0.642 25102
2891 1 20 . 1 1 39 39 CYS N N 39 125.807 125.807 123.646 2.161 25102
2892 1 20 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.422 -0.368 25102
2893 1 20 . 1 1 39 39 CYS H H 39 9.568 9.568 9.158 0.410 25102
2894 1 20 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.222 -0.343 25102
2895 1 20 . 1 1 41 41 GLU N N 41 120.864 120.864 117.058 3.806 25102
2896 1 20 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.356 -0.032 25102
2897 1 20 . 1 1 41 41 GLU H H 41 8.422 8.422 8.171 0.251 25102
2898 1 20 . 1 1 42 42 CYS N N 42 121.478 121.478 116.995 4.483 25102
2899 1 20 . 1 1 42 42 CYS HA H 42 4.774 4.774 5.000 -0.226 25102
2900 1 20 . 1 1 42 42 CYS H H 42 8.562 8.562 7.864 0.698 25102
2901 1 20 . 1 1 43 43 SER N N 43 114.585 114.585 118.391 -3.806 25102
2902 1 20 . 1 1 43 43 SER HA H 43 4.048 4.048 4.048 -0.000 25102
2903 1 20 . 1 1 43 43 SER H H 43 7.905 7.905 8.602 -0.697 25102
2904 1 20 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.110 0.517 25102
2905 1 20 . 1 1 44 44 LEU H H 44 7.920 7.920 8.159 -0.239 25102
2906 1 20 . 1 1 45 45 GLY N N 45 103.239 103.239 109.512 -6.273 25102
2907 1 20 . 1 1 45 45 GLY H H 45 8.158 8.158 9.009 -0.851 25102
2908 1 20 . 1 1 46 46 LYS N N 46 113.276 113.276 115.146 -1.870 25102
2909 1 20 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.594 -0.480 25102
2910 1 20 . 1 1 46 46 LYS H H 46 8.269 8.269 8.015 0.254 25102
2911 1 20 . 1 1 47 47 ASP N N 47 115.186 115.186 119.149 -3.963 25102
2912 1 20 . 1 1 47 47 ASP HA H 47 4.493 4.493 4.632 -0.139 25102
2913 1 20 . 1 1 47 47 ASP H H 47 8.910 8.910 8.595 0.315 25102
2914 1 20 . 1 1 48 48 VAL N N 48 110.836 110.836 118.315 -7.479 25102
2915 1 20 . 1 1 48 48 VAL HA H 48 4.607 4.607 4.127 0.480 25102
2916 1 20 . 1 1 48 48 VAL H H 48 7.756 7.756 7.767 -0.011 25102
2917 1 20 . 1 1 49 49 PHE N N 49 124.366 124.366 118.360 6.006 25102
2918 1 20 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.916 -0.047 25102
2919 1 20 . 1 1 49 49 PHE H H 49 8.064 8.064 7.617 0.447 25102
2920 1 20 . 1 1 50 50 GLU N N 50 120.147 120.147 121.874 -1.727 25102
2921 1 20 . 1 1 50 50 GLU HA H 50 4.619 4.619 4.151 0.468 25102
2922 1 20 . 1 1 50 50 GLU H H 50 8.729 8.729 8.341 0.388 25102
2923 1 20 . 1 1 51 51 GLU N N 51 123.941 123.941 115.397 8.544 25102
2924 1 20 . 1 1 51 51 GLU HA H 51 4.753 4.753 4.269 0.484 25102
2925 1 20 . 1 1 51 51 GLU H H 51 8.739 8.739 8.419 0.320 25102
2926 1 20 . 1 1 52 52 LEU N N 52 126.863 126.863 121.825 5.038 25102
2927 1 20 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.548 -0.236 25102
2928 1 20 . 1 1 52 52 LEU H H 52 8.207 8.207 7.880 0.327 25102
2929 1 20 . 1 1 53 53 ALA N N 53 128.679 128.679 123.258 5.421 25102
2930 1 20 . 1 1 53 53 ALA HA H 53 4.259 4.259 5.182 -0.923 25102
2931 1 20 . 1 1 53 53 ALA H H 53 8.494 8.494 7.580 0.914 25102
2932 1 20 . 1 1 54 54 SER N N 54 113.369 113.369 116.885 -3.516 25102
2933 1 20 . 1 1 54 54 SER HA H 54 4.706 4.706 4.101 0.606 25102
2934 1 20 . 1 1 54 54 SER H H 54 8.893 8.893 8.958 -0.065 25102
2935 1 20 . 1 1 55 55 GLU N N 55 115.612 115.612 120.585 -4.973 25102
2936 1 20 . 1 1 55 55 GLU HA H 55 3.776 3.776 4.065 -0.289 25102
2937 1 20 . 1 1 55 55 GLU H H 55 8.296 8.296 8.471 -0.175 25102
2938 1 20 . 1 1 56 56 ALA N N 56 125.675 125.675 126.842 -1.167 25102
2939 1 20 . 1 1 56 56 ALA HA H 56 4.223 4.223 4.756 -0.533 25102
2940 1 20 . 1 1 56 56 ALA H H 56 8.185 8.185 8.410 -0.225 25102
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 47 4.777 -0.569 4.795 25102
2 1 1 "Average Difference" HA 57 0.418 0.104 0.408 25102
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25102
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25102
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25102
6 1 1 "Average Difference" HN 48 0.676 -0.114 0.674 25102
7 1 2 "Average Difference" N 47 4.684 -0.657 4.688 25102
8 1 2 "Average Difference" HA 57 0.410 0.104 0.400 25102
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25102
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25102
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25102
12 1 2 "Average Difference" HN 48 0.653 -0.129 0.647 25102
13 1 3 "Average Difference" N 47 4.756 -0.569 4.772 25102
14 1 3 "Average Difference" HA 57 0.443 0.137 0.425 25102
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25102
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25102
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25102
18 1 3 "Average Difference" HN 48 0.705 -0.142 0.698 25102
19 1 4 "Average Difference" N 47 4.336 -0.418 4.363 25102
20 1 4 "Average Difference" HA 57 0.425 0.087 0.420 25102
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25102
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25102
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25102
24 1 4 "Average Difference" HN 48 0.696 -0.130 0.691 25102
25 1 5 "Average Difference" N 47 4.913 -0.748 4.908 25102
26 1 5 "Average Difference" HA 57 0.423 0.096 0.415 25102
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25102
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25102
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25102
30 1 5 "Average Difference" HN 48 0.720 -0.149 0.712 25102
31 1 6 "Average Difference" N 47 4.757 -1.358 4.609 25102
32 1 6 "Average Difference" HA 57 0.406 0.060 0.405 25102
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25102
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25102
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25102
36 1 6 "Average Difference" HN 48 0.653 -0.127 0.647 25102
37 1 7 "Average Difference" N 47 4.814 -0.854 4.789 25102
38 1 7 "Average Difference" HA 57 0.418 0.101 0.409 25102
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25102
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25102
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25102
42 1 7 "Average Difference" HN 48 0.683 -0.149 0.673 25102
43 1 8 "Average Difference" N 47 5.458 -0.581 5.486 25102
44 1 8 "Average Difference" HA 57 0.399 0.104 0.389 25102
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25102
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25102
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25102
48 1 8 "Average Difference" HN 48 0.689 -0.112 0.687 25102
49 1 9 "Average Difference" N 47 4.475 -0.501 4.495 25102
50 1 9 "Average Difference" HA 57 0.417 0.119 0.403 25102
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25102
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25102
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25102
54 1 9 "Average Difference" HN 48 0.674 -0.084 0.675 25102
55 1 10 "Average Difference" N 47 4.916 -0.793 4.904 25102
56 1 10 "Average Difference" HA 57 0.405 0.085 0.400 25102
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25102
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25102
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25102
60 1 10 "Average Difference" HN 48 0.704 -0.141 0.697 25102
61 1 11 "Average Difference" N 47 4.356 -0.220 4.398 25102
62 1 11 "Average Difference" HA 57 0.424 0.076 0.421 25102
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25102
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25102
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25102
66 1 11 "Average Difference" HN 48 0.707 -0.158 0.696 25102
67 1 12 "Average Difference" N 47 5.108 -1.158 5.029 25102
68 1 12 "Average Difference" HA 57 0.442 0.148 0.420 25102
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25102
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25102
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25102
72 1 12 "Average Difference" HN 48 0.651 -0.109 0.649 25102
73 1 13 "Average Difference" N 47 4.745 -0.452 4.774 25102
74 1 13 "Average Difference" HA 57 0.390 0.108 0.378 25102
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25102
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25102
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25102
78 1 13 "Average Difference" HN 48 0.687 -0.154 0.677 25102
79 1 14 "Average Difference" N 47 4.950 -0.389 4.988 25102
80 1 14 "Average Difference" HA 57 0.376 0.078 0.371 25102
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25102
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25102
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25102
84 1 14 "Average Difference" HN 48 0.691 -0.111 0.689 25102
85 1 15 "Average Difference" N 47 4.872 -0.388 4.910 25102
86 1 15 "Average Difference" HA 57 0.419 0.113 0.407 25102
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25102
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25102
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25102
90 1 15 "Average Difference" HN 48 0.666 -0.109 0.664 25102
91 1 16 "Average Difference" N 47 4.388 -0.575 4.397 25102
92 1 16 "Average Difference" HA 57 0.424 0.096 0.417 25102
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25102
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25102
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25102
96 1 16 "Average Difference" HN 48 0.720 -0.172 0.707 25102
97 1 17 "Average Difference" N 47 4.599 -0.293 4.639 25102
98 1 17 "Average Difference" HA 57 0.429 0.093 0.422 25102
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25102
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25102
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25102
102 1 17 "Average Difference" HN 48 0.679 -0.145 0.670 25102
103 1 18 "Average Difference" N 47 4.173 -0.321 4.205 25102
104 1 18 "Average Difference" HA 57 0.441 0.109 0.432 25102
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25102
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25102
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25102
108 1 18 "Average Difference" HN 48 0.716 -0.152 0.707 25102
109 1 19 "Average Difference" N 47 5.098 -0.629 5.113 25102
110 1 19 "Average Difference" HA 57 0.442 0.117 0.430 25102
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25102
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25102
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25102
114 1 19 "Average Difference" HN 48 0.624 -0.103 0.622 25102
115 1 20 "Average Difference" N 47 4.752 -0.371 4.789 25102
116 1 20 "Average Difference" HA 57 0.448 0.116 0.437 25102
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25102
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25102
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25102
120 1 20 "Average Difference" HN 48 0.670 -0.140 0.663 25102
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 25102
_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 PRO HA H 2 4.475 4.475 4.764 -0.289 25102
2 1 . 1 1 3 3 ARG N N 3 117.071 117.071 118.481 -1.410 25102
3 1 . 1 1 3 3 ARG HA H 3 4.625 4.625 5.067 -0.442 25102
4 1 . 1 1 3 3 ARG H H 3 8.107 8.107 8.346 -0.239 25102
5 1 . 1 1 4 4 MET N N 4 117.614 117.614 119.890 -2.276 25102
6 1 . 1 1 4 4 MET HA H 4 5.110 5.110 4.772 0.338 25102
7 1 . 1 1 4 4 MET H H 4 8.381 8.381 8.383 -0.002 25102
8 1 . 1 1 5 5 GLN N N 5 122.654 122.654 118.019 4.635 25102
9 1 . 1 1 5 5 GLN HA H 5 5.037 5.037 5.106 -0.069 25102
10 1 . 1 1 5 5 GLN H H 5 9.675 9.675 8.300 1.375 25102
11 1 . 1 1 6 6 CYS N N 6 135.155 135.155 121.286 13.869 25102
12 1 . 1 1 6 6 CYS HA H 6 2.658 2.658 4.184 -1.526 25102
13 1 . 1 1 6 6 CYS H H 6 9.415 9.415 8.375 1.040 25102
14 1 . 1 1 7 7 SER N N 7 125.596 125.596 121.478 4.118 25102
15 1 . 1 1 7 7 SER HA H 7 4.167 4.167 4.480 -0.313 25102
16 1 . 1 1 7 7 SER H H 7 8.147 8.147 8.661 -0.514 25102
17 1 . 1 1 8 8 VAL N N 8 128.046 128.046 121.026 7.020 25102
18 1 . 1 1 8 8 VAL HA H 8 3.867 3.867 4.197 -0.330 25102
19 1 . 1 1 8 8 VAL H H 8 9.074 9.074 8.035 1.039 25102
20 1 . 1 1 9 9 CYS N N 9 124.350 124.350 117.907 6.443 25102
21 1 . 1 1 9 9 CYS HA H 9 4.877 4.877 4.709 0.168 25102
22 1 . 1 1 9 9 CYS H H 9 9.443 9.443 8.155 1.288 25102
23 1 . 1 1 10 10 GLN N N 10 115.176 115.176 119.796 -4.620 25102
24 1 . 1 1 10 10 GLN HA H 10 3.992 3.992 4.132 -0.140 25102
25 1 . 1 1 10 10 GLN H H 10 7.596 7.596 8.155 -0.559 25102
26 1 . 1 1 11 11 TRP N N 11 128.644 128.644 122.964 5.680 25102
27 1 . 1 1 11 11 TRP HA H 11 4.098 4.098 4.891 -0.793 25102
28 1 . 1 1 11 11 TRP H H 11 9.200 9.200 7.894 1.306 25102
29 1 . 1 1 12 12 ILE N N 12 125.601 125.601 129.172 -3.571 25102
30 1 . 1 1 12 12 ILE HA H 12 4.314 4.314 4.344 -0.030 25102
31 1 . 1 1 12 12 ILE H H 12 6.788 6.788 8.350 -1.562 25102
32 1 . 1 1 13 13 TYR N N 13 126.171 126.171 130.332 -4.161 25102
33 1 . 1 1 13 13 TYR HA H 13 3.877 3.877 4.016 -0.139 25102
34 1 . 1 1 13 13 TYR H H 13 8.986 8.986 8.765 0.221 25102
35 1 . 1 1 14 14 ASP N N 14 129.316 129.316 128.838 0.478 25102
36 1 . 1 1 14 14 ASP HA H 14 4.835 4.835 4.886 -0.051 25102
37 1 . 1 1 14 14 ASP H H 14 8.569 8.569 7.833 0.736 25102
38 1 . 1 1 15 15 PRO HA H 15 3.972 3.972 4.058 -0.086 25102
39 1 . 1 1 16 16 ALA N N 16 117.037 117.037 118.031 -0.994 25102
40 1 . 1 1 16 16 ALA HA H 16 3.848 3.848 4.167 -0.319 25102
41 1 . 1 1 16 16 ALA H H 16 7.923 7.923 8.255 -0.332 25102
42 1 . 1 1 17 17 LYS N N 17 115.236 115.236 114.966 0.270 25102
43 1 . 1 1 17 17 LYS HA H 17 4.254 4.254 4.553 -0.299 25102
44 1 . 1 1 17 17 LYS H H 17 7.635 7.635 8.054 -0.419 25102
45 1 . 1 1 18 18 GLY N N 18 105.765 105.765 110.339 -4.574 25102
46 1 . 1 1 18 18 GLY H H 18 7.865 7.865 8.225 -0.360 25102
47 1 . 1 1 19 19 GLU N N 19 122.724 122.724 121.005 1.719 25102
48 1 . 1 1 19 19 GLU HA H 19 5.079 5.079 4.967 0.112 25102
49 1 . 1 1 19 19 GLU H H 19 9.072 9.072 8.297 0.775 25102
50 1 . 1 1 20 20 PRO HA H 20 4.198 4.198 4.438 -0.240 25102
51 1 . 1 1 21 21 MET N N 21 120.818 120.818 115.911 4.907 25102
52 1 . 1 1 21 21 MET HA H 21 4.259 4.259 4.632 -0.373 25102
53 1 . 1 1 21 21 MET H H 21 9.643 9.643 7.902 1.741 25102
54 1 . 1 1 22 22 GLN N N 22 118.335 118.335 119.852 -1.517 25102
55 1 . 1 1 22 22 GLN HA H 22 4.455 4.455 4.501 -0.046 25102
56 1 . 1 1 22 22 GLN H H 22 7.656 7.656 8.035 -0.379 25102
57 1 . 1 1 23 23 ASP N N 23 115.262 115.262 116.535 -1.273 25102
58 1 . 1 1 23 23 ASP HA H 23 4.164 4.164 4.471 -0.307 25102
59 1 . 1 1 23 23 ASP H H 23 7.757 7.757 8.350 -0.593 25102
60 1 . 1 1 24 24 VAL N N 24 119.478 119.478 118.509 0.969 25102
61 1 . 1 1 24 24 VAL HA H 24 4.163 4.163 4.283 -0.120 25102
62 1 . 1 1 24 24 VAL H H 24 7.534 7.534 7.531 0.003 25102
63 1 . 1 1 25 25 ALA N N 25 132.445 132.445 129.085 3.360 25102
64 1 . 1 1 25 25 ALA HA H 25 4.400 4.400 4.668 -0.268 25102
65 1 . 1 1 25 25 ALA H H 25 8.565 8.565 8.319 0.246 25102
66 1 . 1 1 26 26 PRO HA H 26 3.664 3.664 4.238 -0.574 25102
67 1 . 1 1 27 27 GLY N N 27 106.448 106.448 109.019 -2.571 25102
68 1 . 1 1 27 27 GLY H H 27 8.200 8.200 8.655 -0.455 25102
69 1 . 1 1 28 28 THR N N 28 118.305 118.305 115.559 2.746 25102
70 1 . 1 1 28 28 THR HA H 28 4.355 4.355 4.629 -0.274 25102
71 1 . 1 1 28 28 THR H H 28 7.251 7.251 7.871 -0.620 25102
72 1 . 1 1 29 29 PRO HA H 29 4.684 4.684 4.495 0.189 25102
73 1 . 1 1 30 30 TRP N N 30 123.786 123.786 126.472 -2.686 25102
74 1 . 1 1 30 30 TRP HA H 30 3.957 3.957 4.037 -0.080 25102
75 1 . 1 1 30 30 TRP H H 30 9.563 9.563 8.745 0.818 25102
76 1 . 1 1 31 31 SER N N 31 111.431 111.431 112.827 -1.396 25102
77 1 . 1 1 31 31 SER HA H 31 3.859 3.859 4.057 -0.198 25102
78 1 . 1 1 31 31 SER H H 31 8.443 8.443 7.995 0.448 25102
79 1 . 1 1 32 32 GLU N N 32 119.555 119.555 120.355 -0.800 25102
80 1 . 1 1 32 32 GLU HA H 32 4.169 4.169 4.125 0.044 25102
81 1 . 1 1 32 32 GLU H H 32 7.594 7.594 7.850 -0.256 25102
82 1 . 1 1 33 33 VAL N N 33 125.616 125.616 122.268 3.348 25102
83 1 . 1 1 33 33 VAL HA H 33 3.537 3.537 3.703 -0.166 25102
84 1 . 1 1 33 33 VAL H H 33 7.063 7.063 7.477 -0.414 25102
85 1 . 1 1 34 34 PRO HA H 34 4.155 4.155 4.302 -0.147 25102
86 1 . 1 1 35 35 ASP N N 35 118.884 118.884 121.054 -2.170 25102
87 1 . 1 1 35 35 ASP HA H 35 4.053 4.053 4.289 -0.236 25102
88 1 . 1 1 35 35 ASP H H 35 8.381 8.381 8.498 -0.117 25102
89 1 . 1 1 36 36 ASN N N 36 115.350 115.350 119.104 -3.754 25102
90 1 . 1 1 36 36 ASN HA H 36 4.554 4.554 4.599 -0.045 25102
91 1 . 1 1 36 36 ASN H H 36 7.864 7.864 8.111 -0.247 25102
92 1 . 1 1 37 37 PHE N N 37 122.004 122.004 121.362 0.642 25102
93 1 . 1 1 37 37 PHE HA H 37 3.864 3.864 4.392 -0.528 25102
94 1 . 1 1 37 37 PHE H H 37 7.397 7.397 7.815 -0.418 25102
95 1 . 1 1 38 38 LEU N N 38 127.420 127.420 126.953 0.467 25102
96 1 . 1 1 38 38 LEU HA H 38 4.724 4.724 4.573 0.151 25102
97 1 . 1 1 38 38 LEU H H 38 7.907 7.907 7.488 0.419 25102
98 1 . 1 1 39 39 CYS N N 39 125.807 125.807 123.277 2.530 25102
99 1 . 1 1 39 39 CYS HA H 39 4.054 4.054 4.314 -0.260 25102
100 1 . 1 1 39 39 CYS H H 39 9.568 9.568 8.881 0.688 25102
101 1 . 1 1 40 40 PRO HA H 40 3.879 3.879 4.199 -0.320 25102
102 1 . 1 1 41 41 GLU N N 41 120.864 120.864 117.576 3.288 25102
103 1 . 1 1 41 41 GLU HA H 41 4.324 4.324 4.338 -0.014 25102
104 1 . 1 1 41 41 GLU H H 41 8.422 8.422 8.227 0.195 25102
105 1 . 1 1 42 42 CYS N N 42 121.478 121.478 117.672 3.806 25102
106 1 . 1 1 42 42 CYS HA H 42 4.774 4.774 4.871 -0.097 25102
107 1 . 1 1 42 42 CYS H H 42 8.562 8.562 7.741 0.821 25102
108 1 . 1 1 43 43 SER N N 43 114.585 114.585 116.926 -2.341 25102
109 1 . 1 1 43 43 SER HA H 43 4.048 4.048 4.109 -0.061 25102
110 1 . 1 1 43 43 SER H H 43 7.905 7.905 8.330 -0.425 25102
111 1 . 1 1 44 44 LEU HA H 44 4.627 4.627 4.439 0.188 25102
112 1 . 1 1 44 44 LEU H H 44 7.920 7.920 8.031 -0.111 25102
113 1 . 1 1 45 45 GLY N N 45 103.239 103.239 108.750 -5.510 25102
114 1 . 1 1 45 45 GLY H H 45 8.158 8.158 8.712 -0.554 25102
115 1 . 1 1 46 46 LYS N N 46 113.276 113.276 117.201 -3.925 25102
116 1 . 1 1 46 46 LYS HA H 46 4.114 4.114 4.306 -0.192 25102
117 1 . 1 1 46 46 LYS H H 46 8.269 8.269 8.299 -0.030 25102
118 1 . 1 1 47 47 ASP N N 47 115.186 115.186 117.718 -2.532 25102
119 1 . 1 1 47 47 ASP HA H 47 4.493 4.493 4.829 -0.336 25102
120 1 . 1 1 47 47 ASP H H 47 8.910 8.910 8.371 0.539 25102
121 1 . 1 1 48 48 VAL N N 48 110.836 110.836 117.956 -7.120 25102
122 1 . 1 1 48 48 VAL HA H 48 4.607 4.607 4.139 0.468 25102
123 1 . 1 1 48 48 VAL H H 48 7.756 7.756 7.825 -0.069 25102
124 1 . 1 1 49 49 PHE N N 49 124.366 124.366 120.449 3.917 25102
125 1 . 1 1 49 49 PHE HA H 49 4.869 4.869 4.226 0.643 25102
126 1 . 1 1 49 49 PHE H H 49 8.064 8.064 8.192 -0.128 25102
127 1 . 1 1 50 50 GLU N N 50 120.147 120.147 123.131 -2.984 25102
128 1 . 1 1 50 50 GLU HA H 50 4.619 4.619 4.322 0.297 25102
129 1 . 1 1 50 50 GLU H H 50 8.729 8.729 8.178 0.551 25102
130 1 . 1 1 51 51 GLU N N 51 123.941 123.941 116.588 7.353 25102
131 1 . 1 1 51 51 GLU HA H 51 4.753 4.753 4.081 0.672 25102
132 1 . 1 1 51 51 GLU H H 51 8.739 8.739 8.386 0.352 25102
133 1 . 1 1 52 52 LEU N N 52 126.863 126.863 117.752 9.111 25102
134 1 . 1 1 52 52 LEU HA H 52 4.312 4.312 4.670 -0.358 25102
135 1 . 1 1 52 52 LEU H H 52 8.207 8.207 8.071 0.136 25102
136 1 . 1 1 53 53 ALA N N 53 128.679 128.679 120.993 7.686 25102
137 1 . 1 1 53 53 ALA HA H 53 4.259 4.259 5.004 -0.745 25102
138 1 . 1 1 53 53 ALA H H 53 8.494 8.494 8.008 0.486 25102
139 1 . 1 1 54 54 SER N N 54 113.369 113.369 114.356 -0.987 25102
140 1 . 1 1 54 54 SER HA H 54 4.706 4.706 4.197 0.509 25102
141 1 . 1 1 54 54 SER H H 54 8.893 8.893 8.713 0.180 25102
142 1 . 1 1 55 55 GLU N N 55 115.612 115.612 123.271 -7.659 25102
143 1 . 1 1 55 55 GLU HA H 55 3.776 3.776 4.264 -0.488 25102
144 1 . 1 1 55 55 GLU H H 55 8.296 8.296 8.484 -0.188 25102
145 1 . 1 1 56 56 ALA N N 56 125.675 125.675 125.368 0.307 25102
146 1 . 1 1 56 56 ALA HA H 56 4.223 4.223 4.363 -0.140 25102
147 1 . 1 1 56 56 ALA H H 56 8.185 8.185 8.286 -0.101 25102
stop_
save_