data_18332
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18332
_Entry.PDB_ID 2LQV
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 18332
_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 ASN CA C 23 53.576 53.576 52.849 0.728 18332
2 1 1 . 1 1 2 2 ASN CB C 23 38.913 38.913 38.434 0.479 18332
3 1 1 . 1 1 3 3 ASN N N 24 119.074 119.074 121.171 -2.097 18332
4 1 1 . 1 1 3 3 ASN C C 24 175.201 175.201 174.911 0.290 18332
5 1 1 . 1 1 3 3 ASN CA C 24 53.609 53.609 53.865 -0.256 18332
6 1 1 . 1 1 3 3 ASN CB C 24 38.885 38.885 39.128 -0.243 18332
7 1 1 . 1 1 3 3 ASN H H 24 8.546 8.546 8.647 -0.101 18332
8 1 1 . 1 1 4 4 GLU N N 25 120.681 120.681 125.429 -4.748 18332
9 1 1 . 1 1 4 4 GLU HA H 25 4.512 4.512 4.490 0.022 18332
10 1 1 . 1 1 4 4 GLU C C 25 176.957 176.957 175.273 1.684 18332
11 1 1 . 1 1 4 4 GLU CA C 25 57.107 57.107 56.671 0.436 18332
12 1 1 . 1 1 4 4 GLU CB C 25 30.502 30.502 30.555 -0.053 18332
13 1 1 . 1 1 4 4 GLU H H 25 8.431 8.431 8.529 -0.098 18332
14 1 1 . 1 1 5 5 THR N N 26 113.493 113.493 117.372 -3.879 18332
15 1 1 . 1 1 5 5 THR HA H 26 4.332 4.332 4.562 -0.230 18332
16 1 1 . 1 1 5 5 THR C C 26 174.268 174.268 174.117 0.151 18332
17 1 1 . 1 1 5 5 THR CA C 26 61.970 61.970 61.888 0.083 18332
18 1 1 . 1 1 5 5 THR CB C 26 70.089 70.089 69.315 0.774 18332
19 1 1 . 1 1 5 5 THR H H 26 8.198 8.198 7.926 0.272 18332
20 1 1 . 1 1 6 6 SER N N 27 117.653 117.653 121.195 -3.542 18332
21 1 1 . 1 1 6 6 SER HA H 27 5.077 5.077 4.670 0.407 18332
22 1 1 . 1 1 6 6 SER C C 27 174.087 174.087 175.109 -1.022 18332
23 1 1 . 1 1 6 6 SER CA C 27 57.821 57.821 57.933 -0.112 18332
24 1 1 . 1 1 6 6 SER CB C 27 64.827 64.827 64.015 0.812 18332
25 1 1 . 1 1 6 6 SER H H 27 8.180 8.180 8.445 -0.265 18332
26 1 1 . 1 1 8 8 SER HA H 29 5.455 5.455 4.646 0.809 18332
27 1 1 . 1 1 8 8 SER C C 29 174.725 174.725 173.688 1.037 18332
28 1 1 . 1 1 8 8 SER CA C 29 57.885 57.885 57.706 0.178 18332
29 1 1 . 1 1 8 8 SER CB C 29 63.990 63.990 63.626 0.364 18332
30 1 1 . 1 1 9 9 VAL N N 30 118.961 118.961 124.146 -5.185 18332
31 1 1 . 1 1 9 9 VAL HA H 30 5.002 5.002 4.329 0.673 18332
32 1 1 . 1 1 9 9 VAL C C 30 175.300 175.300 175.174 0.126 18332
33 1 1 . 1 1 9 9 VAL CA C 30 58.828 58.828 61.527 -2.699 18332
34 1 1 . 1 1 9 9 VAL CB C 30 36.058 36.058 34.965 1.093 18332
35 1 1 . 1 1 9 9 VAL H H 30 9.435 9.435 8.490 0.945 18332
36 1 1 . 1 1 10 10 THR N N 31 116.623 116.623 122.283 -5.660 18332
37 1 1 . 1 1 10 10 THR HA H 31 4.726 4.726 4.574 0.152 18332
38 1 1 . 1 1 10 10 THR C C 31 173.102 173.102 173.508 -0.406 18332
39 1 1 . 1 1 10 10 THR CA C 31 63.291 63.291 61.013 2.279 18332
40 1 1 . 1 1 10 10 THR CB C 31 69.490 69.490 69.188 0.302 18332
41 1 1 . 1 1 10 10 THR H H 31 8.284 8.284 8.235 0.049 18332
42 1 1 . 1 1 11 11 PHE N N 32 129.214 129.214 124.805 4.409 18332
43 1 1 . 1 1 11 11 PHE HA H 32 4.167 4.167 4.956 -0.789 18332
44 1 1 . 1 1 11 11 PHE C C 32 172.082 172.082 172.917 -0.835 18332
45 1 1 . 1 1 11 11 PHE CA C 32 55.403 55.403 54.526 0.877 18332
46 1 1 . 1 1 11 11 PHE CB C 32 39.318 39.318 38.843 0.475 18332
47 1 1 . 1 1 11 11 PHE H H 32 8.029 8.029 8.008 0.022 18332
48 1 1 . 1 1 12 12 PRO HA H 33 4.130 4.130 4.612 -0.482 18332
49 1 1 . 1 1 12 12 PRO CA C 33 62.885 62.885 62.749 0.135 18332
50 1 1 . 1 1 12 12 PRO CB C 33 31.435 31.435 32.091 -0.656 18332
51 1 1 . 1 1 13 13 LYS N N 34 120.291 120.291 122.230 -1.939 18332
52 1 1 . 1 1 13 13 LYS HA H 34 4.172 4.172 4.335 -0.163 18332
53 1 1 . 1 1 13 13 LYS CA C 34 58.877 58.877 58.436 0.441 18332
54 1 1 . 1 1 13 13 LYS CB C 34 31.852 31.852 33.781 -1.929 18332
55 1 1 . 1 1 13 13 LYS H H 34 7.980 7.980 8.381 -0.401 18332
56 1 1 . 1 1 14 14 CYS N N 35 116.206 116.206 115.808 0.398 18332
57 1 1 . 1 1 14 14 CYS HA H 35 5.081 5.081 4.880 0.201 18332
58 1 1 . 1 1 14 14 CYS CA C 35 54.045 54.045 56.880 -2.835 18332
59 1 1 . 1 1 14 14 CYS CB C 35 40.904 40.904 27.786 13.118 18332
60 1 1 . 1 1 14 14 CYS H H 35 8.056 8.056 8.238 -0.182 18332
61 1 1 . 1 1 15 15 GLU N N 36 122.110 122.110 122.155 -0.045 18332
62 1 1 . 1 1 15 15 GLU HA H 36 4.017 4.017 4.147 -0.130 18332
63 1 1 . 1 1 15 15 GLU CA C 36 59.377 59.377 58.633 0.744 18332
64 1 1 . 1 1 15 15 GLU CB C 36 29.852 29.852 29.847 0.005 18332
65 1 1 . 1 1 15 15 GLU H H 36 8.949 8.949 8.822 0.127 18332
66 1 1 . 1 1 16 16 ASP N N 37 115.460 115.460 118.741 -3.281 18332
67 1 1 . 1 1 16 16 ASP HA H 37 4.586 4.586 4.660 -0.074 18332
68 1 1 . 1 1 16 16 ASP CA C 37 54.947 54.947 54.268 0.679 18332
69 1 1 . 1 1 16 16 ASP CB C 37 40.051 40.051 41.198 -1.147 18332
70 1 1 . 1 1 16 16 ASP H H 37 8.947 8.947 8.237 0.710 18332
71 1 1 . 1 1 17 17 LEU N N 38 119.514 119.514 121.485 -1.971 18332
72 1 1 . 1 1 17 17 LEU HA H 38 4.550 4.550 4.289 0.261 18332
73 1 1 . 1 1 17 17 LEU CA C 38 54.800 54.800 55.243 -0.443 18332
74 1 1 . 1 1 17 17 LEU CB C 38 43.291 43.291 42.773 0.518 18332
75 1 1 . 1 1 17 17 LEU H H 38 7.468 7.468 7.520 -0.052 18332
76 1 1 . 1 1 18 18 ASP N N 39 118.819 118.819 120.467 -1.648 18332
77 1 1 . 1 1 18 18 ASP HA H 39 4.831 4.831 4.813 0.018 18332
78 1 1 . 1 1 18 18 ASP CA C 39 51.261 51.261 52.884 -1.623 18332
79 1 1 . 1 1 18 18 ASP CB C 39 41.863 41.863 43.658 -1.795 18332
80 1 1 . 1 1 18 18 ASP H H 39 7.645 7.645 8.153 -0.508 18332
81 1 1 . 1 1 19 19 ALA N N 40 120.945 120.945 121.916 -0.971 18332
82 1 1 . 1 1 19 19 ALA HA H 40 3.202 3.202 3.223 -0.021 18332
83 1 1 . 1 1 19 19 ALA CA C 40 55.690 55.690 54.968 0.722 18332
84 1 1 . 1 1 19 19 ALA CB C 40 18.317 18.317 18.598 -0.281 18332
85 1 1 . 1 1 19 19 ALA H H 40 8.457 8.457 8.561 -0.104 18332
86 1 1 . 1 1 20 20 ALA N N 41 117.582 117.582 120.465 -2.883 18332
87 1 1 . 1 1 20 20 ALA HA H 41 3.921 3.921 4.033 -0.112 18332
88 1 1 . 1 1 20 20 ALA CA C 41 55.042 55.042 54.803 0.239 18332
89 1 1 . 1 1 20 20 ALA CB C 41 17.773 17.773 18.135 -0.362 18332
90 1 1 . 1 1 20 20 ALA H H 41 7.944 7.944 8.222 -0.278 18332
91 1 1 . 1 1 21 21 GLY N N 42 109.614 109.614 107.199 2.415 18332
92 1 1 . 1 1 21 21 GLY CA C 42 47.069 47.069 46.563 0.506 18332
93 1 1 . 1 1 21 21 GLY H H 42 8.278 8.278 7.673 0.605 18332
94 1 1 . 1 1 22 22 ILE N N 43 126.734 126.734 123.712 3.022 18332
95 1 1 . 1 1 22 22 ILE HA H 43 3.731 3.731 3.464 0.267 18332
96 1 1 . 1 1 22 22 ILE CA C 43 61.614 61.614 63.645 -2.031 18332
97 1 1 . 1 1 22 22 ILE CB C 43 35.840 35.840 36.901 -1.061 18332
98 1 1 . 1 1 22 22 ILE H H 43 8.631 8.631 8.212 0.419 18332
99 1 1 . 1 1 23 23 ALA N N 44 123.871 123.871 121.991 1.880 18332
100 1 1 . 1 1 23 23 ALA HA H 44 3.676 3.676 3.799 -0.123 18332
101 1 1 . 1 1 23 23 ALA CA C 44 55.788 55.788 55.493 0.295 18332
102 1 1 . 1 1 23 23 ALA CB C 44 18.707 18.707 17.844 0.863 18332
103 1 1 . 1 1 23 23 ALA H H 44 8.347 8.347 8.001 0.346 18332
104 1 1 . 1 1 24 24 ALA N N 45 117.860 117.860 120.028 -2.168 18332
105 1 1 . 1 1 24 24 ALA HA H 45 4.047 4.047 4.010 0.037 18332
106 1 1 . 1 1 24 24 ALA CA C 45 55.068 55.068 54.948 0.120 18332
107 1 1 . 1 1 24 24 ALA CB C 45 18.177 18.177 18.027 0.150 18332
108 1 1 . 1 1 24 24 ALA H H 45 7.593 7.593 7.710 -0.117 18332
109 1 1 . 1 1 25 25 SER N N 46 115.177 115.177 114.670 0.507 18332
110 1 1 . 1 1 25 25 SER HA H 46 4.103 4.103 4.209 -0.106 18332
111 1 1 . 1 1 25 25 SER CA C 46 62.044 62.044 61.337 0.707 18332
112 1 1 . 1 1 25 25 SER CB C 46 63.061 63.061 63.189 -0.128 18332
113 1 1 . 1 1 25 25 SER H H 46 8.086 8.086 7.874 0.212 18332
114 1 1 . 1 1 26 26 VAL N N 47 123.762 123.762 121.743 2.019 18332
115 1 1 . 1 1 26 26 VAL HA H 47 3.831 3.831 3.508 0.323 18332
116 1 1 . 1 1 26 26 VAL CA C 47 67.401 67.401 66.187 1.214 18332
117 1 1 . 1 1 26 26 VAL CB C 47 31.775 31.775 31.057 0.718 18332
118 1 1 . 1 1 26 26 VAL H H 47 8.733 8.733 8.521 0.212 18332
119 1 1 . 1 1 27 27 LYS N N 48 118.412 118.412 119.510 -1.098 18332
120 1 1 . 1 1 27 27 LYS HA H 48 3.729 3.729 4.070 -0.341 18332
121 1 1 . 1 1 27 27 LYS CA C 48 61.242 61.242 60.206 1.036 18332
122 1 1 . 1 1 27 27 LYS CB C 48 32.696 32.696 32.007 0.689 18332
123 1 1 . 1 1 27 27 LYS H H 48 7.931 7.931 8.494 -0.563 18332
124 1 1 . 1 1 28 28 ARG N N 49 116.894 116.894 119.711 -2.817 18332
125 1 1 . 1 1 28 28 ARG HA H 49 4.123 4.123 3.882 0.241 18332
126 1 1 . 1 1 28 28 ARG CA C 49 59.414 59.414 59.455 -0.041 18332
127 1 1 . 1 1 28 28 ARG CB C 49 30.338 30.338 30.047 0.291 18332
128 1 1 . 1 1 28 28 ARG H H 49 7.941 7.941 8.072 -0.131 18332
129 1 1 . 1 1 29 29 ASP N N 50 119.598 119.598 118.697 0.901 18332
130 1 1 . 1 1 29 29 ASP HA H 50 4.161 4.161 4.365 -0.204 18332
131 1 1 . 1 1 29 29 ASP CA C 50 58.581 58.581 57.545 1.036 18332
132 1 1 . 1 1 29 29 ASP CB C 50 43.769 43.769 40.558 3.211 18332
133 1 1 . 1 1 29 29 ASP H H 50 8.250 8.250 7.999 0.251 18332
134 1 1 . 1 1 30 30 TYR N N 51 119.757 119.757 117.412 2.345 18332
135 1 1 . 1 1 30 30 TYR CA C 51 62.615 62.615 60.715 1.900 18332
136 1 1 . 1 1 30 30 TYR CB C 51 38.668 38.668 38.108 0.560 18332
137 1 1 . 1 1 30 30 TYR H H 51 8.680 8.680 7.416 1.264 18332
138 1 1 . 1 1 31 31 GLN N N 52 115.572 115.572 118.842 -3.270 18332
139 1 1 . 1 1 31 31 GLN HA H 52 4.126 4.126 4.000 0.126 18332
140 1 1 . 1 1 31 31 GLN C C 52 178.235 178.235 178.771 -0.536 18332
141 1 1 . 1 1 31 31 GLN CA C 52 59.256 59.256 58.417 0.839 18332
142 1 1 . 1 1 31 31 GLN H H 52 8.287 8.287 8.717 -0.430 18332
143 1 1 . 1 1 32 32 GLN N N 53 114.416 114.416 119.720 -5.304 18332
144 1 1 . 1 1 32 32 GLN C C 53 177.224 177.224 176.937 0.287 18332
145 1 1 . 1 1 32 32 GLN CA C 53 57.673 57.673 58.336 -0.663 18332
146 1 1 . 1 1 32 32 GLN CB C 53 29.425 29.425 28.633 0.792 18332
147 1 1 . 1 1 32 32 GLN H H 53 8.848 8.848 8.128 0.720 18332
148 1 1 . 1 1 45 45 VAL HA H 66 4.239 4.239 4.177 0.062 18332
149 1 1 . 1 1 45 45 VAL CA C 66 63.712 63.712 62.177 1.535 18332
150 1 1 . 1 1 45 45 VAL CB C 66 32.252 32.252 32.619 -0.367 18332
151 1 1 . 1 1 46 46 GLY N N 67 108.542 108.542 109.035 -0.493 18332
152 1 1 . 1 1 46 46 GLY CA C 67 45.910 45.910 44.225 1.685 18332
153 1 1 . 1 1 46 46 GLY H H 67 8.027 8.027 7.857 0.170 18332
154 1 1 . 1 1 50 50 PRO HA H 71 4.129 4.129 4.554 -0.425 18332
155 1 1 . 1 1 50 50 PRO C C 71 176.009 176.009 176.038 -0.029 18332
156 1 1 . 1 1 50 50 PRO CA C 71 62.889 62.889 62.578 0.311 18332
157 1 1 . 1 1 50 50 PRO CB C 71 32.769 32.769 32.316 0.453 18332
158 1 1 . 1 1 51 51 VAL N N 72 123.129 123.129 123.669 -0.540 18332
159 1 1 . 1 1 51 51 VAL HA H 72 4.166 4.166 4.083 0.083 18332
160 1 1 . 1 1 51 51 VAL C C 72 174.364 174.364 175.916 -1.552 18332
161 1 1 . 1 1 51 51 VAL CA C 72 62.794 62.794 61.932 0.862 18332
162 1 1 . 1 1 51 51 VAL CB C 72 32.947 32.947 32.436 0.511 18332
163 1 1 . 1 1 51 51 VAL H H 72 8.537 8.537 8.359 0.178 18332
164 1 1 . 1 1 52 52 ALA N N 73 128.689 128.689 131.656 -2.967 18332
165 1 1 . 1 1 52 52 ALA HA H 73 5.437 5.437 5.322 0.115 18332
166 1 1 . 1 1 52 52 ALA C C 73 176.104 176.104 176.801 -0.697 18332
167 1 1 . 1 1 52 52 ALA CA C 73 50.307 50.307 51.026 -0.719 18332
168 1 1 . 1 1 52 52 ALA CB C 73 21.672 21.672 19.933 1.739 18332
169 1 1 . 1 1 52 52 ALA H H 73 8.272 8.272 8.479 -0.207 18332
170 1 1 . 1 1 53 53 TRP N N 74 122.550 122.550 123.979 -1.429 18332
171 1 1 . 1 1 53 53 TRP HA H 74 4.890 4.890 5.122 -0.232 18332
172 1 1 . 1 1 53 53 TRP C C 74 174.515 174.515 173.479 1.036 18332
173 1 1 . 1 1 53 53 TRP CA C 74 56.883 56.883 55.136 1.747 18332
174 1 1 . 1 1 53 53 TRP CB C 74 32.120 32.120 31.561 0.559 18332
175 1 1 . 1 1 53 53 TRP H H 74 9.301 9.301 8.981 0.320 18332
176 1 1 . 1 1 54 54 VAL HA H 75 4.424 4.424 4.675 -0.251 18332
177 1 1 . 1 1 54 54 VAL C C 75 174.906 174.906 175.187 -0.281 18332
178 1 1 . 1 1 54 54 VAL CA C 75 60.326 60.326 59.663 0.663 18332
179 1 1 . 1 1 54 54 VAL CB C 75 34.985 34.985 34.610 0.375 18332
180 1 1 . 1 1 55 55 SER N N 76 121.442 121.442 121.807 -0.365 18332
181 1 1 . 1 1 55 55 SER HA H 76 4.427 4.427 4.818 -0.391 18332
182 1 1 . 1 1 55 55 SER CA C 76 55.979 55.979 57.095 -1.116 18332
183 1 1 . 1 1 55 55 SER CB C 76 62.223 62.223 63.727 -1.504 18332
184 1 1 . 1 1 55 55 SER H H 76 7.855 7.855 8.536 -0.681 18332
185 1 1 . 1 1 56 56 LEU N N 77 129.932 129.932 130.166 -0.234 18332
186 1 1 . 1 1 56 56 LEU HA H 77 3.829 3.829 4.125 -0.296 18332
187 1 1 . 1 1 56 56 LEU CA C 77 58.257 58.257 57.967 0.291 18332
188 1 1 . 1 1 56 56 LEU CB C 77 41.844 41.844 41.557 0.287 18332
189 1 1 . 1 1 56 56 LEU H H 77 8.256 8.256 9.136 -0.880 18332
190 1 1 . 1 1 57 57 GLN N N 78 115.179 115.179 117.339 -2.160 18332
191 1 1 . 1 1 57 57 GLN HA H 78 4.186 4.186 4.186 0.000 18332
192 1 1 . 1 1 57 57 GLN CA C 78 57.730 57.730 58.264 -0.534 18332
193 1 1 . 1 1 57 57 GLN CB C 78 28.156 28.156 28.411 -0.255 18332
194 1 1 . 1 1 57 57 GLN H H 78 8.614 8.614 8.582 0.031 18332
195 1 1 . 1 1 58 58 ASP N N 79 116.803 116.803 116.860 -0.057 18332
196 1 1 . 1 1 58 58 ASP HA H 79 4.901 4.901 4.752 0.149 18332
197 1 1 . 1 1 58 58 ASP CA C 79 54.261 54.261 53.604 0.657 18332
198 1 1 . 1 1 58 58 ASP CB C 79 43.008 43.008 42.093 0.915 18332
199 1 1 . 1 1 58 58 ASP H H 79 7.486 7.486 7.703 -0.217 18332
200 1 1 . 1 1 59 59 ILE N N 80 121.887 121.887 121.633 0.254 18332
201 1 1 . 1 1 59 59 ILE HA H 80 4.344 4.344 3.968 0.376 18332
202 1 1 . 1 1 59 59 ILE CA C 80 63.397 63.397 61.802 1.595 18332
203 1 1 . 1 1 59 59 ILE CB C 80 38.796 38.796 36.017 2.779 18332
204 1 1 . 1 1 59 59 ILE H H 80 7.278 7.278 7.584 -0.306 18332
205 1 1 . 1 1 60 60 GLN N N 81 126.140 126.140 126.238 -0.098 18332
206 1 1 . 1 1 60 60 GLN HA H 81 4.983 4.983 4.875 0.108 18332
207 1 1 . 1 1 60 60 GLN CA C 81 54.165 54.165 54.263 -0.098 18332
208 1 1 . 1 1 60 60 GLN CB C 81 32.639 32.639 33.476 -0.837 18332
209 1 1 . 1 1 60 60 GLN H H 81 8.318 8.318 8.265 0.053 18332
210 1 1 . 1 1 61 61 GLY N N 82 111.215 111.215 108.070 3.145 18332
211 1 1 . 1 1 61 61 GLY CA C 82 45.844 45.844 45.096 0.748 18332
212 1 1 . 1 1 61 61 GLY H H 82 8.484 8.484 8.277 0.207 18332
213 1 1 . 1 1 62 62 LYS N N 83 119.467 119.467 120.271 -0.804 18332
214 1 1 . 1 1 62 62 LYS HA H 83 3.986 3.986 4.414 -0.428 18332
215 1 1 . 1 1 62 62 LYS CA C 83 56.248 56.248 54.574 1.674 18332
216 1 1 . 1 1 62 62 LYS CB C 83 34.501 34.501 34.819 -0.318 18332
217 1 1 . 1 1 62 62 LYS H H 83 7.669 7.669 8.081 -0.412 18332
218 1 1 . 1 1 63 63 ASP N N 84 124.240 124.240 125.002 -0.762 18332
219 1 1 . 1 1 63 63 ASP HA H 84 4.181 4.181 4.144 0.037 18332
220 1 1 . 1 1 63 63 ASP CA C 84 56.029 56.029 56.906 -0.877 18332
221 1 1 . 1 1 63 63 ASP CB C 84 39.258 39.258 40.329 -1.071 18332
222 1 1 . 1 1 63 63 ASP H H 84 9.052 9.052 9.010 0.042 18332
223 1 1 . 1 1 64 64 ASP N N 85 110.367 110.367 115.630 -5.263 18332
224 1 1 . 1 1 64 64 ASP HA H 85 4.240 4.240 4.734 -0.494 18332
225 1 1 . 1 1 64 64 ASP CA C 85 56.115 56.115 53.803 2.312 18332
226 1 1 . 1 1 64 64 ASP CB C 85 40.468 40.468 42.557 -2.089 18332
227 1 1 . 1 1 64 64 ASP H H 85 8.261 8.261 8.162 0.098 18332
228 1 1 . 1 1 65 65 LYS N N 86 119.587 119.587 121.207 -1.620 18332
229 1 1 . 1 1 65 65 LYS HA H 86 5.352 5.352 5.637 -0.285 18332
230 1 1 . 1 1 65 65 LYS CA C 86 55.218 55.218 55.234 -0.016 18332
231 1 1 . 1 1 65 65 LYS CB C 86 34.418 34.418 35.645 -1.227 18332
232 1 1 . 1 1 65 65 LYS H H 86 7.460 7.460 7.638 -0.178 18332
233 1 1 . 1 1 66 66 TRP N N 87 121.490 121.490 123.255 -1.765 18332
234 1 1 . 1 1 66 66 TRP HA H 87 5.307 5.307 5.215 0.092 18332
235 1 1 . 1 1 66 66 TRP C C 87 175.839 175.839 175.192 0.647 18332
236 1 1 . 1 1 66 66 TRP CA C 87 55.834 55.834 56.206 -0.372 18332
237 1 1 . 1 1 66 66 TRP CB C 87 34.217 34.217 33.746 0.471 18332
238 1 1 . 1 1 66 66 TRP H H 87 8.903 8.903 9.142 -0.239 18332
239 1 1 . 1 1 67 67 SER N N 88 118.488 118.488 115.410 3.078 18332
240 1 1 . 1 1 67 67 SER HA H 88 5.236 5.236 5.827 -0.591 18332
241 1 1 . 1 1 67 67 SER CA C 88 57.197 57.197 55.849 1.348 18332
242 1 1 . 1 1 67 67 SER CB C 88 63.945 63.945 65.180 -1.235 18332
243 1 1 . 1 1 67 67 SER H H 88 9.382 9.382 9.525 -0.143 18332
244 1 1 . 1 1 68 68 VAL N N 89 127.693 127.693 126.494 1.199 18332
245 1 1 . 1 1 68 68 VAL HA H 89 4.620 4.620 4.560 0.060 18332
246 1 1 . 1 1 68 68 VAL CA C 89 59.246 59.246 58.546 0.700 18332
247 1 1 . 1 1 68 68 VAL CB C 89 35.649 35.649 32.976 2.673 18332
248 1 1 . 1 1 68 68 VAL H H 89 9.360 9.360 8.180 1.180 18332
249 1 1 . 1 1 69 69 PRO HA H 90 4.077 4.077 4.513 -0.436 18332
250 1 1 . 1 1 69 69 PRO C C 90 174.726 174.726 175.284 -0.558 18332
251 1 1 . 1 1 69 69 PRO CA C 90 61.967 61.967 62.615 -0.648 18332
252 1 1 . 1 1 69 69 PRO CB C 90 31.095 31.095 31.826 -0.731 18332
253 1 1 . 1 1 70 70 LEU N N 91 126.522 126.522 126.122 0.400 18332
254 1 1 . 1 1 70 70 LEU HA H 91 4.818 4.818 4.345 0.473 18332
255 1 1 . 1 1 70 70 LEU C C 91 173.906 173.906 176.588 -2.682 18332
256 1 1 . 1 1 70 70 LEU CA C 91 53.978 53.978 54.127 -0.149 18332
257 1 1 . 1 1 70 70 LEU CB C 91 46.386 46.386 42.497 3.889 18332
258 1 1 . 1 1 70 70 LEU H H 91 8.767 8.767 8.453 0.314 18332
259 1 1 . 1 1 71 71 THR HA H 92 5.105 5.105 4.402 0.703 18332
260 1 1 . 1 1 71 71 THR H H 92 9.034 9.034 8.108 0.926 18332
261 1 1 . 1 1 72 72 VAL HA H 93 4.532 4.532 4.817 -0.285 18332
262 1 1 . 1 1 72 72 VAL CA C 93 61.333 61.333 60.303 1.030 18332
263 1 1 . 1 1 72 72 VAL CB C 93 33.826 33.826 34.329 -0.503 18332
264 1 1 . 1 1 73 73 ARG N N 94 126.565 126.565 128.218 -1.653 18332
265 1 1 . 1 1 73 73 ARG HA H 94 4.900 4.900 4.399 0.501 18332
266 1 1 . 1 1 73 73 ARG CA C 94 55.931 55.931 56.531 -0.600 18332
267 1 1 . 1 1 73 73 ARG CB C 94 31.104 31.104 29.633 1.471 18332
268 1 1 . 1 1 73 73 ARG H H 94 8.833 8.833 8.306 0.527 18332
269 1 1 . 1 1 74 74 GLY N N 95 112.938 112.938 111.044 1.894 18332
270 1 1 . 1 1 74 74 GLY CA C 95 44.454 44.454 44.467 -0.013 18332
271 1 1 . 1 1 74 74 GLY H H 95 8.562 8.562 8.021 0.541 18332
272 1 1 . 1 1 75 75 LYS N N 96 119.229 119.229 119.740 -0.511 18332
273 1 1 . 1 1 75 75 LYS HA H 96 4.243 4.243 4.404 -0.161 18332
274 1 1 . 1 1 75 75 LYS CA C 96 59.295 59.295 57.164 2.131 18332
275 1 1 . 1 1 75 75 LYS CB C 96 32.597 32.597 32.776 -0.179 18332
276 1 1 . 1 1 75 75 LYS H H 96 8.074 8.074 8.299 -0.225 18332
277 1 1 . 1 1 76 76 SER N N 97 111.880 111.880 114.892 -3.012 18332
278 1 1 . 1 1 76 76 SER HA H 97 4.625 4.625 4.336 0.289 18332
279 1 1 . 1 1 76 76 SER CA C 97 58.593 58.593 58.411 0.182 18332
280 1 1 . 1 1 76 76 SER CB C 97 64.106 64.106 63.228 0.878 18332
281 1 1 . 1 1 76 76 SER H H 97 8.828 8.828 8.147 0.681 18332
282 1 1 . 1 1 77 77 ALA N N 98 122.995 122.995 123.697 -0.702 18332
283 1 1 . 1 1 77 77 ALA HA H 98 4.121 4.121 4.579 -0.458 18332
284 1 1 . 1 1 77 77 ALA CA C 98 51.218 51.218 51.279 -0.061 18332
285 1 1 . 1 1 77 77 ALA CB C 98 21.866 21.866 20.308 1.558 18332
286 1 1 . 1 1 77 77 ALA H H 98 7.341 7.341 7.547 -0.206 18332
287 1 1 . 1 1 78 78 ASP N N 99 115.649 115.649 121.770 -6.121 18332
288 1 1 . 1 1 78 78 ASP HA H 99 5.435 5.435 4.774 0.661 18332
289 1 1 . 1 1 78 78 ASP CA C 99 52.144 52.144 53.596 -1.452 18332
290 1 1 . 1 1 78 78 ASP CB C 99 43.392 43.392 42.563 0.829 18332
291 1 1 . 1 1 78 78 ASP H H 99 8.206 8.206 8.387 -0.181 18332
292 1 1 . 1 1 79 79 ILE N N 100 120.032 120.032 116.103 3.929 18332
293 1 1 . 1 1 79 79 ILE HA H 100 4.177 4.177 4.650 -0.473 18332
294 1 1 . 1 1 79 79 ILE CA C 100 60.560 60.560 60.677 -0.117 18332
295 1 1 . 1 1 79 79 ILE CB C 100 41.095 41.095 38.954 2.141 18332
296 1 1 . 1 1 79 79 ILE H H 100 9.039 9.039 8.406 0.633 18332
297 1 1 . 1 1 83 83 VAL HA H 104 4.779 4.779 4.288 0.491 18332
298 1 1 . 1 1 83 83 VAL CA C 104 61.192 61.192 63.247 -2.055 18332
299 1 1 . 1 1 83 83 VAL CB C 104 31.896 31.896 32.474 -0.578 18332
300 1 1 . 1 1 84 84 SER N N 105 124.376 124.376 123.529 0.847 18332
301 1 1 . 1 1 84 84 SER HA H 105 5.393 5.393 5.255 0.138 18332
302 1 1 . 1 1 84 84 SER CA C 105 56.419 56.419 57.729 -1.310 18332
303 1 1 . 1 1 84 84 SER CB C 105 63.496 63.496 63.741 -0.245 18332
304 1 1 . 1 1 84 84 SER H H 105 8.973 8.973 8.418 0.555 18332
305 1 1 . 1 1 85 85 VAL N N 106 127.349 127.349 128.123 -0.774 18332
306 1 1 . 1 1 85 85 VAL HA H 106 4.090 4.090 4.070 0.020 18332
307 1 1 . 1 1 85 85 VAL CA C 106 61.843 61.843 62.172 -0.329 18332
308 1 1 . 1 1 85 85 VAL CB C 106 34.995 34.995 33.053 1.942 18332
309 1 1 . 1 1 85 85 VAL H H 106 9.254 9.254 9.112 0.142 18332
310 1 1 . 1 1 86 86 ASP N N 107 126.522 126.522 128.287 -1.765 18332
311 1 1 . 1 1 86 86 ASP HA H 107 5.149 5.149 5.259 -0.110 18332
312 1 1 . 1 1 86 86 ASP CA C 107 52.528 52.528 53.874 -1.346 18332
313 1 1 . 1 1 86 86 ASP CB C 107 41.694 41.694 41.684 0.010 18332
314 1 1 . 1 1 86 86 ASP H H 107 8.877 8.877 8.511 0.366 18332
315 1 1 . 1 1 87 87 CYS N N 108 120.863 120.863 125.735 -4.872 18332
316 1 1 . 1 1 87 87 CYS HA H 108 4.828 4.828 4.325 0.503 18332
317 1 1 . 1 1 87 87 CYS CA C 108 57.070 57.070 61.366 -4.296 18332
318 1 1 . 1 1 87 87 CYS CB C 108 40.994 40.994 27.596 13.399 18332
319 1 1 . 1 1 87 87 CYS H H 108 8.989 8.989 9.392 -0.403 18332
320 1 1 . 1 1 88 88 LYS N N 109 118.800 118.800 120.350 -1.550 18332
321 1 1 . 1 1 88 88 LYS HA H 109 4.384 4.384 4.129 0.255 18332
322 1 1 . 1 1 88 88 LYS CA C 109 58.418 58.418 58.542 -0.124 18332
323 1 1 . 1 1 88 88 LYS CB C 109 32.625 32.625 31.746 0.879 18332
324 1 1 . 1 1 88 88 LYS H H 109 8.374 8.374 8.027 0.347 18332
325 1 1 . 1 1 89 89 ALA N N 110 119.495 119.495 118.964 0.531 18332
326 1 1 . 1 1 89 89 ALA HA H 110 4.285 4.285 4.304 -0.019 18332
327 1 1 . 1 1 89 89 ALA CA C 110 52.221 52.221 52.069 0.152 18332
328 1 1 . 1 1 89 89 ALA CB C 110 19.837 19.837 19.973 -0.136 18332
329 1 1 . 1 1 89 89 ALA H H 110 7.777 7.777 7.854 -0.077 18332
330 1 1 . 1 1 90 90 GLY N N 111 107.111 107.111 105.990 1.121 18332
331 1 1 . 1 1 90 90 GLY CA C 111 47.745 47.745 45.132 2.613 18332
332 1 1 . 1 1 90 90 GLY H H 111 8.084 8.084 7.707 0.377 18332
333 1 1 . 1 1 91 91 MET N N 112 118.682 118.682 117.865 0.817 18332
334 1 1 . 1 1 91 91 MET HA H 112 5.426 5.426 4.591 0.835 18332
335 1 1 . 1 1 91 91 MET CA C 112 53.755 53.755 53.976 -0.221 18332
336 1 1 . 1 1 91 91 MET CB C 112 37.293 37.293 37.122 0.171 18332
337 1 1 . 1 1 91 91 MET H H 112 7.731 7.731 7.798 -0.067 18332
338 1 1 . 1 1 92 92 ALA N N 113 123.295 123.295 121.755 1.540 18332
339 1 1 . 1 1 92 92 ALA HA H 113 5.297 5.297 5.047 0.250 18332
340 1 1 . 1 1 92 92 ALA CA C 113 50.306 50.306 51.032 -0.726 18332
341 1 1 . 1 1 92 92 ALA CB C 113 23.342 23.342 21.015 2.327 18332
342 1 1 . 1 1 92 92 ALA H H 113 9.225 9.225 8.260 0.965 18332
343 1 1 . 1 1 93 93 GLU N N 114 120.553 120.553 124.994 -4.441 18332
344 1 1 . 1 1 93 93 GLU HA H 114 5.348 5.348 4.368 0.980 18332
345 1 1 . 1 1 93 93 GLU CA C 114 54.721 54.721 55.000 -0.279 18332
346 1 1 . 1 1 93 93 GLU CB C 114 32.530 32.530 30.813 1.717 18332
347 1 1 . 1 1 93 93 GLU H H 114 8.840 8.840 8.650 0.190 18332
348 1 2 . 1 1 2 2 ASN CA C 23 53.576 53.576 52.907 0.669 18332
349 1 2 . 1 1 2 2 ASN CB C 23 38.913 38.913 39.031 -0.118 18332
350 1 2 . 1 1 3 3 ASN N N 24 119.074 119.074 123.042 -3.968 18332
351 1 2 . 1 1 3 3 ASN C C 24 175.201 175.201 174.260 0.941 18332
352 1 2 . 1 1 3 3 ASN CA C 24 53.609 53.609 53.115 0.494 18332
353 1 2 . 1 1 3 3 ASN CB C 24 38.885 38.885 39.014 -0.130 18332
354 1 2 . 1 1 3 3 ASN H H 24 8.546 8.546 8.698 -0.152 18332
355 1 2 . 1 1 4 4 GLU N N 25 120.681 120.681 124.064 -3.383 18332
356 1 2 . 1 1 4 4 GLU HA H 25 4.512 4.512 4.606 -0.094 18332
357 1 2 . 1 1 4 4 GLU C C 25 176.957 176.957 176.514 0.443 18332
358 1 2 . 1 1 4 4 GLU CA C 25 57.107 57.107 56.191 0.915 18332
359 1 2 . 1 1 4 4 GLU CB C 25 30.502 30.502 32.247 -1.745 18332
360 1 2 . 1 1 4 4 GLU H H 25 8.431 8.431 8.607 -0.176 18332
361 1 2 . 1 1 5 5 THR N N 26 113.493 113.493 117.588 -4.095 18332
362 1 2 . 1 1 5 5 THR HA H 26 4.332 4.332 4.530 -0.198 18332
363 1 2 . 1 1 5 5 THR C C 26 174.268 174.268 174.829 -0.561 18332
364 1 2 . 1 1 5 5 THR CA C 26 61.970 61.970 62.515 -0.545 18332
365 1 2 . 1 1 5 5 THR CB C 26 70.089 70.089 68.905 1.184 18332
366 1 2 . 1 1 5 5 THR H H 26 8.198 8.198 8.641 -0.443 18332
367 1 2 . 1 1 6 6 SER N N 27 117.653 117.653 116.265 1.388 18332
368 1 2 . 1 1 6 6 SER HA H 27 5.077 5.077 4.559 0.518 18332
369 1 2 . 1 1 6 6 SER C C 27 174.087 174.087 174.280 -0.193 18332
370 1 2 . 1 1 6 6 SER CA C 27 57.821 57.821 58.056 -0.235 18332
371 1 2 . 1 1 6 6 SER CB C 27 64.827 64.827 63.602 1.225 18332
372 1 2 . 1 1 6 6 SER H H 27 8.180 8.180 7.900 0.280 18332
373 1 2 . 1 1 8 8 SER HA H 29 5.455 5.455 4.560 0.895 18332
374 1 2 . 1 1 8 8 SER C C 29 174.725 174.725 173.799 0.926 18332
375 1 2 . 1 1 8 8 SER CA C 29 57.885 57.885 58.251 -0.366 18332
376 1 2 . 1 1 8 8 SER CB C 29 63.990 63.990 63.086 0.904 18332
377 1 2 . 1 1 9 9 VAL N N 30 118.961 118.961 125.301 -6.340 18332
378 1 2 . 1 1 9 9 VAL HA H 30 5.002 5.002 4.344 0.658 18332
379 1 2 . 1 1 9 9 VAL C C 30 175.300 175.300 174.285 1.015 18332
380 1 2 . 1 1 9 9 VAL CA C 30 58.828 58.828 61.843 -3.015 18332
381 1 2 . 1 1 9 9 VAL CB C 30 36.058 36.058 34.423 1.635 18332
382 1 2 . 1 1 9 9 VAL H H 30 9.435 9.435 8.488 0.947 18332
383 1 2 . 1 1 10 10 THR N N 31 116.623 116.623 122.432 -5.809 18332
384 1 2 . 1 1 10 10 THR HA H 31 4.726 4.726 4.547 0.179 18332
385 1 2 . 1 1 10 10 THR C C 31 173.102 173.102 173.360 -0.258 18332
386 1 2 . 1 1 10 10 THR CA C 31 63.291 63.291 61.742 1.549 18332
387 1 2 . 1 1 10 10 THR CB C 31 69.490 69.490 69.695 -0.205 18332
388 1 2 . 1 1 10 10 THR H H 31 8.284 8.284 8.169 0.115 18332
389 1 2 . 1 1 11 11 PHE N N 32 129.214 129.214 122.063 7.151 18332
390 1 2 . 1 1 11 11 PHE HA H 32 4.167 4.167 4.954 -0.787 18332
391 1 2 . 1 1 11 11 PHE C C 32 172.082 172.082 172.761 -0.679 18332
392 1 2 . 1 1 11 11 PHE CA C 32 55.403 55.403 54.479 0.924 18332
393 1 2 . 1 1 11 11 PHE CB C 32 39.318 39.318 39.239 0.079 18332
394 1 2 . 1 1 11 11 PHE H H 32 8.029 8.029 8.062 -0.033 18332
395 1 2 . 1 1 12 12 PRO HA H 33 4.130 4.130 4.745 -0.615 18332
396 1 2 . 1 1 12 12 PRO CA C 33 62.885 62.885 62.525 0.360 18332
397 1 2 . 1 1 12 12 PRO CB C 33 31.435 31.435 32.293 -0.858 18332
398 1 2 . 1 1 13 13 LYS N N 34 120.291 120.291 121.651 -1.360 18332
399 1 2 . 1 1 13 13 LYS HA H 34 4.172 4.172 4.344 -0.172 18332
400 1 2 . 1 1 13 13 LYS CA C 34 58.877 58.877 57.831 1.046 18332
401 1 2 . 1 1 13 13 LYS CB C 34 31.852 31.852 33.758 -1.906 18332
402 1 2 . 1 1 13 13 LYS H H 34 7.980 7.980 8.557 -0.577 18332
403 1 2 . 1 1 14 14 CYS N N 35 116.206 116.206 115.687 0.519 18332
404 1 2 . 1 1 14 14 CYS HA H 35 5.081 5.081 4.873 0.208 18332
405 1 2 . 1 1 14 14 CYS CA C 35 54.045 54.045 57.056 -3.011 18332
406 1 2 . 1 1 14 14 CYS CB C 35 40.904 40.904 28.207 12.697 18332
407 1 2 . 1 1 14 14 CYS H H 35 8.056 8.056 7.555 0.501 18332
408 1 2 . 1 1 15 15 GLU N N 36 122.110 122.110 121.884 0.226 18332
409 1 2 . 1 1 15 15 GLU HA H 36 4.017 4.017 4.205 -0.188 18332
410 1 2 . 1 1 15 15 GLU CA C 36 59.377 59.377 58.601 0.776 18332
411 1 2 . 1 1 15 15 GLU CB C 36 29.852 29.852 29.779 0.073 18332
412 1 2 . 1 1 15 15 GLU H H 36 8.949 8.949 8.825 0.124 18332
413 1 2 . 1 1 16 16 ASP N N 37 115.460 115.460 118.873 -3.413 18332
414 1 2 . 1 1 16 16 ASP HA H 37 4.586 4.586 4.677 -0.091 18332
415 1 2 . 1 1 16 16 ASP CA C 37 54.947 54.947 54.308 0.639 18332
416 1 2 . 1 1 16 16 ASP CB C 37 40.051 40.051 41.490 -1.439 18332
417 1 2 . 1 1 16 16 ASP H H 37 8.947 8.947 8.284 0.663 18332
418 1 2 . 1 1 17 17 LEU N N 38 119.514 119.514 121.881 -2.367 18332
419 1 2 . 1 1 17 17 LEU HA H 38 4.550 4.550 4.307 0.243 18332
420 1 2 . 1 1 17 17 LEU CA C 38 54.800 54.800 55.183 -0.383 18332
421 1 2 . 1 1 17 17 LEU CB C 38 43.291 43.291 42.919 0.372 18332
422 1 2 . 1 1 17 17 LEU H H 38 7.468 7.468 7.529 -0.061 18332
423 1 2 . 1 1 18 18 ASP N N 39 118.819 118.819 120.808 -1.989 18332
424 1 2 . 1 1 18 18 ASP HA H 39 4.831 4.831 4.840 -0.009 18332
425 1 2 . 1 1 18 18 ASP CA C 39 51.261 51.261 53.308 -2.047 18332
426 1 2 . 1 1 18 18 ASP CB C 39 41.863 41.863 41.870 -0.007 18332
427 1 2 . 1 1 18 18 ASP H H 39 7.645 7.645 8.209 -0.564 18332
428 1 2 . 1 1 19 19 ALA N N 40 120.945 120.945 123.052 -2.107 18332
429 1 2 . 1 1 19 19 ALA HA H 40 3.202 3.202 3.225 -0.023 18332
430 1 2 . 1 1 19 19 ALA CA C 40 55.690 55.690 55.171 0.519 18332
431 1 2 . 1 1 19 19 ALA CB C 40 18.317 18.317 18.242 0.075 18332
432 1 2 . 1 1 19 19 ALA H H 40 8.457 8.457 8.460 -0.003 18332
433 1 2 . 1 1 20 20 ALA N N 41 117.582 117.582 120.314 -2.732 18332
434 1 2 . 1 1 20 20 ALA HA H 41 3.921 3.921 4.095 -0.174 18332
435 1 2 . 1 1 20 20 ALA CA C 41 55.042 55.042 55.008 0.034 18332
436 1 2 . 1 1 20 20 ALA CB C 41 17.773 17.773 18.007 -0.234 18332
437 1 2 . 1 1 20 20 ALA H H 41 7.944 7.944 8.442 -0.498 18332
438 1 2 . 1 1 21 21 GLY N N 42 109.614 109.614 107.381 2.233 18332
439 1 2 . 1 1 21 21 GLY CA C 42 47.069 47.069 46.687 0.382 18332
440 1 2 . 1 1 21 21 GLY H H 42 8.278 8.278 7.598 0.680 18332
441 1 2 . 1 1 22 22 ILE N N 43 126.734 126.734 123.527 3.207 18332
442 1 2 . 1 1 22 22 ILE HA H 43 3.731 3.731 3.463 0.268 18332
443 1 2 . 1 1 22 22 ILE CA C 43 61.614 61.614 63.868 -2.254 18332
444 1 2 . 1 1 22 22 ILE CB C 43 35.840 35.840 36.860 -1.020 18332
445 1 2 . 1 1 22 22 ILE H H 43 8.631 8.631 8.295 0.336 18332
446 1 2 . 1 1 23 23 ALA N N 44 123.871 123.871 121.484 2.387 18332
447 1 2 . 1 1 23 23 ALA HA H 44 3.676 3.676 3.887 -0.211 18332
448 1 2 . 1 1 23 23 ALA CA C 44 55.788 55.788 55.498 0.290 18332
449 1 2 . 1 1 23 23 ALA CB C 44 18.707 18.707 17.797 0.910 18332
450 1 2 . 1 1 23 23 ALA H H 44 8.347 8.347 8.030 0.317 18332
451 1 2 . 1 1 24 24 ALA N N 45 117.860 117.860 120.278 -2.418 18332
452 1 2 . 1 1 24 24 ALA HA H 45 4.047 4.047 4.006 0.041 18332
453 1 2 . 1 1 24 24 ALA CA C 45 55.068 55.068 55.024 0.044 18332
454 1 2 . 1 1 24 24 ALA CB C 45 18.177 18.177 18.099 0.078 18332
455 1 2 . 1 1 24 24 ALA H H 45 7.593 7.593 7.713 -0.120 18332
456 1 2 . 1 1 25 25 SER N N 46 115.177 115.177 114.830 0.347 18332
457 1 2 . 1 1 25 25 SER HA H 46 4.103 4.103 4.149 -0.046 18332
458 1 2 . 1 1 25 25 SER CA C 46 62.044 62.044 61.950 0.094 18332
459 1 2 . 1 1 25 25 SER CB C 46 63.061 63.061 63.409 -0.348 18332
460 1 2 . 1 1 25 25 SER H H 46 8.086 8.086 8.196 -0.110 18332
461 1 2 . 1 1 26 26 VAL N N 47 123.762 123.762 122.888 0.874 18332
462 1 2 . 1 1 26 26 VAL HA H 47 3.831 3.831 3.536 0.295 18332
463 1 2 . 1 1 26 26 VAL CA C 47 67.401 67.401 65.616 1.785 18332
464 1 2 . 1 1 26 26 VAL CB C 47 31.775 31.775 31.685 0.090 18332
465 1 2 . 1 1 26 26 VAL H H 47 8.733 8.733 8.463 0.270 18332
466 1 2 . 1 1 27 27 LYS N N 48 118.412 118.412 120.573 -2.161 18332
467 1 2 . 1 1 27 27 LYS HA H 48 3.729 3.729 4.092 -0.363 18332
468 1 2 . 1 1 27 27 LYS CA C 48 61.242 61.242 60.663 0.579 18332
469 1 2 . 1 1 27 27 LYS CB C 48 32.696 32.696 32.197 0.499 18332
470 1 2 . 1 1 27 27 LYS H H 48 7.931 7.931 8.555 -0.624 18332
471 1 2 . 1 1 28 28 ARG N N 49 116.894 116.894 119.042 -2.148 18332
472 1 2 . 1 1 28 28 ARG HA H 49 4.123 4.123 3.963 0.160 18332
473 1 2 . 1 1 28 28 ARG CA C 49 59.414 59.414 59.394 0.021 18332
474 1 2 . 1 1 28 28 ARG CB C 49 30.338 30.338 29.930 0.408 18332
475 1 2 . 1 1 28 28 ARG H H 49 7.941 7.941 8.092 -0.151 18332
476 1 2 . 1 1 29 29 ASP N N 50 119.598 119.598 119.697 -0.099 18332
477 1 2 . 1 1 29 29 ASP HA H 50 4.161 4.161 4.370 -0.209 18332
478 1 2 . 1 1 29 29 ASP CA C 50 58.581 58.581 57.347 1.234 18332
479 1 2 . 1 1 29 29 ASP CB C 50 43.769 43.769 40.346 3.423 18332
480 1 2 . 1 1 29 29 ASP H H 50 8.250 8.250 8.047 0.203 18332
481 1 2 . 1 1 30 30 TYR N N 51 119.757 119.757 118.057 1.700 18332
482 1 2 . 1 1 30 30 TYR CA C 51 62.615 62.615 60.868 1.747 18332
483 1 2 . 1 1 30 30 TYR CB C 51 38.668 38.668 38.128 0.540 18332
484 1 2 . 1 1 30 30 TYR H H 51 8.680 8.680 7.638 1.042 18332
485 1 2 . 1 1 31 31 GLN N N 52 115.572 115.572 117.860 -2.288 18332
486 1 2 . 1 1 31 31 GLN HA H 52 4.126 4.126 4.077 0.049 18332
487 1 2 . 1 1 31 31 GLN C C 52 178.235 178.235 178.122 0.113 18332
488 1 2 . 1 1 31 31 GLN CA C 52 59.256 59.256 58.087 1.169 18332
489 1 2 . 1 1 31 31 GLN H H 52 8.287 8.287 8.736 -0.449 18332
490 1 2 . 1 1 32 32 GLN N N 53 114.416 114.416 118.393 -3.977 18332
491 1 2 . 1 1 32 32 GLN C C 53 177.224 177.224 176.325 0.899 18332
492 1 2 . 1 1 32 32 GLN CA C 53 57.673 57.673 57.405 0.268 18332
493 1 2 . 1 1 32 32 GLN CB C 53 29.425 29.425 29.083 0.342 18332
494 1 2 . 1 1 32 32 GLN H H 53 8.848 8.848 7.983 0.865 18332
495 1 2 . 1 1 45 45 VAL HA H 66 4.239 4.239 4.105 0.134 18332
496 1 2 . 1 1 45 45 VAL CA C 66 63.712 63.712 62.825 0.887 18332
497 1 2 . 1 1 45 45 VAL CB C 66 32.252 32.252 31.976 0.276 18332
498 1 2 . 1 1 46 46 GLY N N 67 108.542 108.542 107.413 1.129 18332
499 1 2 . 1 1 46 46 GLY CA C 67 45.910 45.910 44.566 1.344 18332
500 1 2 . 1 1 46 46 GLY H H 67 8.027 8.027 7.719 0.308 18332
501 1 2 . 1 1 50 50 PRO HA H 71 4.129 4.129 4.551 -0.422 18332
502 1 2 . 1 1 50 50 PRO C C 71 176.009 176.009 176.687 -0.678 18332
503 1 2 . 1 1 50 50 PRO CA C 71 62.889 62.889 63.241 -0.352 18332
504 1 2 . 1 1 50 50 PRO CB C 71 32.769 32.769 32.173 0.596 18332
505 1 2 . 1 1 51 51 VAL N N 72 123.129 123.129 124.933 -1.804 18332
506 1 2 . 1 1 51 51 VAL HA H 72 4.166 4.166 4.141 0.025 18332
507 1 2 . 1 1 51 51 VAL C C 72 174.364 174.364 175.137 -0.773 18332
508 1 2 . 1 1 51 51 VAL CA C 72 62.794 62.794 62.011 0.782 18332
509 1 2 . 1 1 51 51 VAL CB C 72 32.947 32.947 32.443 0.504 18332
510 1 2 . 1 1 51 51 VAL H H 72 8.537 8.537 8.252 0.285 18332
511 1 2 . 1 1 52 52 ALA N N 73 128.689 128.689 132.180 -3.491 18332
512 1 2 . 1 1 52 52 ALA HA H 73 5.437 5.437 5.244 0.193 18332
513 1 2 . 1 1 52 52 ALA C C 73 176.104 176.104 176.820 -0.716 18332
514 1 2 . 1 1 52 52 ALA CA C 73 50.307 50.307 51.006 -0.699 18332
515 1 2 . 1 1 52 52 ALA CB C 73 21.672 21.672 20.399 1.273 18332
516 1 2 . 1 1 52 52 ALA H H 73 8.272 8.272 8.557 -0.285 18332
517 1 2 . 1 1 53 53 TRP N N 74 122.550 122.550 122.408 0.142 18332
518 1 2 . 1 1 53 53 TRP HA H 74 4.890 4.890 5.050 -0.160 18332
519 1 2 . 1 1 53 53 TRP C C 74 174.515 174.515 173.692 0.823 18332
520 1 2 . 1 1 53 53 TRP CA C 74 56.883 56.883 54.513 2.370 18332
521 1 2 . 1 1 53 53 TRP CB C 74 32.120 32.120 31.164 0.956 18332
522 1 2 . 1 1 53 53 TRP H H 74 9.301 9.301 8.901 0.400 18332
523 1 2 . 1 1 54 54 VAL HA H 75 4.424 4.424 4.833 -0.409 18332
524 1 2 . 1 1 54 54 VAL C C 75 174.906 174.906 175.341 -0.435 18332
525 1 2 . 1 1 54 54 VAL CA C 75 60.326 60.326 59.546 0.780 18332
526 1 2 . 1 1 54 54 VAL CB C 75 34.985 34.985 34.307 0.678 18332
527 1 2 . 1 1 55 55 SER N N 76 121.442 121.442 123.808 -2.366 18332
528 1 2 . 1 1 55 55 SER HA H 76 4.427 4.427 4.383 0.044 18332
529 1 2 . 1 1 55 55 SER CA C 76 55.979 55.979 57.394 -1.415 18332
530 1 2 . 1 1 55 55 SER CB C 76 62.223 62.223 63.427 -1.204 18332
531 1 2 . 1 1 55 55 SER H H 76 7.855 7.855 8.075 -0.220 18332
532 1 2 . 1 1 56 56 LEU N N 77 129.932 129.932 129.763 0.169 18332
533 1 2 . 1 1 56 56 LEU HA H 77 3.829 3.829 4.047 -0.218 18332
534 1 2 . 1 1 56 56 LEU CA C 77 58.257 58.257 58.566 -0.310 18332
535 1 2 . 1 1 56 56 LEU CB C 77 41.844 41.844 41.683 0.161 18332
536 1 2 . 1 1 56 56 LEU H H 77 8.256 8.256 9.146 -0.890 18332
537 1 2 . 1 1 57 57 GLN N N 78 115.179 115.179 117.114 -1.935 18332
538 1 2 . 1 1 57 57 GLN HA H 78 4.186 4.186 4.166 0.020 18332
539 1 2 . 1 1 57 57 GLN CA C 78 57.730 57.730 57.876 -0.145 18332
540 1 2 . 1 1 57 57 GLN CB C 78 28.156 28.156 28.327 -0.171 18332
541 1 2 . 1 1 57 57 GLN H H 78 8.614 8.614 8.601 0.013 18332
542 1 2 . 1 1 58 58 ASP N N 79 116.803 116.803 117.323 -0.520 18332
543 1 2 . 1 1 58 58 ASP HA H 79 4.901 4.901 4.761 0.140 18332
544 1 2 . 1 1 58 58 ASP CA C 79 54.261 54.261 53.123 1.138 18332
545 1 2 . 1 1 58 58 ASP CB C 79 43.008 43.008 42.032 0.976 18332
546 1 2 . 1 1 58 58 ASP H H 79 7.486 7.486 7.650 -0.164 18332
547 1 2 . 1 1 59 59 ILE N N 80 121.887 121.887 121.727 0.160 18332
548 1 2 . 1 1 59 59 ILE HA H 80 4.344 4.344 3.904 0.440 18332
549 1 2 . 1 1 59 59 ILE CA C 80 63.397 63.397 61.895 1.502 18332
550 1 2 . 1 1 59 59 ILE CB C 80 38.796 38.796 36.149 2.647 18332
551 1 2 . 1 1 59 59 ILE H H 80 7.278 7.278 7.606 -0.328 18332
552 1 2 . 1 1 60 60 GLN N N 81 126.140 126.140 126.278 -0.138 18332
553 1 2 . 1 1 60 60 GLN HA H 81 4.983 4.983 4.821 0.162 18332
554 1 2 . 1 1 60 60 GLN CA C 81 54.165 54.165 54.222 -0.057 18332
555 1 2 . 1 1 60 60 GLN CB C 81 32.639 32.639 33.111 -0.472 18332
556 1 2 . 1 1 60 60 GLN H H 81 8.318 8.318 8.320 -0.002 18332
557 1 2 . 1 1 61 61 GLY N N 82 111.215 111.215 108.091 3.124 18332
558 1 2 . 1 1 61 61 GLY CA C 82 45.844 45.844 44.851 0.993 18332
559 1 2 . 1 1 61 61 GLY H H 82 8.484 8.484 8.302 0.182 18332
560 1 2 . 1 1 62 62 LYS N N 83 119.467 119.467 120.308 -0.841 18332
561 1 2 . 1 1 62 62 LYS HA H 83 3.986 3.986 4.412 -0.426 18332
562 1 2 . 1 1 62 62 LYS CA C 83 56.248 56.248 54.734 1.514 18332
563 1 2 . 1 1 62 62 LYS CB C 83 34.501 34.501 35.102 -0.601 18332
564 1 2 . 1 1 62 62 LYS H H 83 7.669 7.669 8.042 -0.373 18332
565 1 2 . 1 1 63 63 ASP N N 84 124.240 124.240 123.382 0.858 18332
566 1 2 . 1 1 63 63 ASP HA H 84 4.181 4.181 4.184 -0.003 18332
567 1 2 . 1 1 63 63 ASP CA C 84 56.029 56.029 56.851 -0.822 18332
568 1 2 . 1 1 63 63 ASP CB C 84 39.258 39.258 40.291 -1.033 18332
569 1 2 . 1 1 63 63 ASP H H 84 9.052 9.052 8.929 0.123 18332
570 1 2 . 1 1 64 64 ASP N N 85 110.367 110.367 115.541 -5.174 18332
571 1 2 . 1 1 64 64 ASP HA H 85 4.240 4.240 4.661 -0.421 18332
572 1 2 . 1 1 64 64 ASP CA C 85 56.115 56.115 54.004 2.111 18332
573 1 2 . 1 1 64 64 ASP CB C 85 40.468 40.468 42.696 -2.228 18332
574 1 2 . 1 1 64 64 ASP H H 85 8.261 8.261 8.157 0.104 18332
575 1 2 . 1 1 65 65 LYS N N 86 119.587 119.587 121.467 -1.880 18332
576 1 2 . 1 1 65 65 LYS HA H 86 5.352 5.352 5.280 0.072 18332
577 1 2 . 1 1 65 65 LYS CA C 86 55.218 55.218 55.258 -0.040 18332
578 1 2 . 1 1 65 65 LYS CB C 86 34.418 34.418 34.250 0.168 18332
579 1 2 . 1 1 65 65 LYS H H 86 7.460 7.460 7.694 -0.234 18332
580 1 2 . 1 1 66 66 TRP N N 87 121.490 121.490 124.066 -2.576 18332
581 1 2 . 1 1 66 66 TRP HA H 87 5.307 5.307 5.159 0.148 18332
582 1 2 . 1 1 66 66 TRP C C 87 175.839 175.839 175.296 0.543 18332
583 1 2 . 1 1 66 66 TRP CA C 87 55.834 55.834 55.986 -0.152 18332
584 1 2 . 1 1 66 66 TRP CB C 87 34.217 34.217 33.523 0.694 18332
585 1 2 . 1 1 66 66 TRP H H 87 8.903 8.903 9.130 -0.227 18332
586 1 2 . 1 1 67 67 SER N N 88 118.488 118.488 115.348 3.140 18332
587 1 2 . 1 1 67 67 SER HA H 88 5.236 5.236 5.674 -0.438 18332
588 1 2 . 1 1 67 67 SER CA C 88 57.197 57.197 56.389 0.808 18332
589 1 2 . 1 1 67 67 SER CB C 88 63.945 63.945 64.733 -0.788 18332
590 1 2 . 1 1 67 67 SER H H 88 9.382 9.382 9.453 -0.071 18332
591 1 2 . 1 1 68 68 VAL N N 89 127.693 127.693 127.706 -0.013 18332
592 1 2 . 1 1 68 68 VAL HA H 89 4.620 4.620 4.432 0.188 18332
593 1 2 . 1 1 68 68 VAL CA C 89 59.246 59.246 59.890 -0.644 18332
594 1 2 . 1 1 68 68 VAL CB C 89 35.649 35.649 32.853 2.796 18332
595 1 2 . 1 1 68 68 VAL H H 89 9.360 9.360 8.650 0.710 18332
596 1 2 . 1 1 69 69 PRO HA H 90 4.077 4.077 4.483 -0.406 18332
597 1 2 . 1 1 69 69 PRO C C 90 174.726 174.726 175.601 -0.875 18332
598 1 2 . 1 1 69 69 PRO CA C 90 61.967 61.967 62.199 -0.232 18332
599 1 2 . 1 1 69 69 PRO CB C 90 31.095 31.095 31.856 -0.761 18332
600 1 2 . 1 1 70 70 LEU N N 91 126.522 126.522 127.104 -0.582 18332
601 1 2 . 1 1 70 70 LEU HA H 91 4.818 4.818 4.384 0.434 18332
602 1 2 . 1 1 70 70 LEU C C 91 173.906 173.906 176.969 -3.063 18332
603 1 2 . 1 1 70 70 LEU CA C 91 53.978 53.978 54.621 -0.643 18332
604 1 2 . 1 1 70 70 LEU CB C 91 46.386 46.386 42.131 4.255 18332
605 1 2 . 1 1 70 70 LEU H H 91 8.767 8.767 8.281 0.486 18332
606 1 2 . 1 1 71 71 THR HA H 92 5.105 5.105 4.435 0.670 18332
607 1 2 . 1 1 71 71 THR H H 92 9.034 9.034 8.758 0.276 18332
608 1 2 . 1 1 72 72 VAL HA H 93 4.532 4.532 4.721 -0.189 18332
609 1 2 . 1 1 72 72 VAL CA C 93 61.333 61.333 60.758 0.575 18332
610 1 2 . 1 1 72 72 VAL CB C 93 33.826 33.826 33.979 -0.153 18332
611 1 2 . 1 1 73 73 ARG N N 94 126.565 126.565 127.743 -1.178 18332
612 1 2 . 1 1 73 73 ARG HA H 94 4.900 4.900 4.552 0.348 18332
613 1 2 . 1 1 73 73 ARG CA C 94 55.931 55.931 55.566 0.366 18332
614 1 2 . 1 1 73 73 ARG CB C 94 31.104 31.104 31.037 0.067 18332
615 1 2 . 1 1 73 73 ARG H H 94 8.833 8.833 8.329 0.504 18332
616 1 2 . 1 1 74 74 GLY N N 95 112.938 112.938 110.367 2.571 18332
617 1 2 . 1 1 74 74 GLY CA C 95 44.454 44.454 45.307 -0.853 18332
618 1 2 . 1 1 74 74 GLY H H 95 8.562 8.562 8.250 0.312 18332
619 1 2 . 1 1 75 75 LYS N N 96 119.229 119.229 121.408 -2.179 18332
620 1 2 . 1 1 75 75 LYS HA H 96 4.243 4.243 4.225 0.018 18332
621 1 2 . 1 1 75 75 LYS CA C 96 59.295 59.295 58.045 1.250 18332
622 1 2 . 1 1 75 75 LYS CB C 96 32.597 32.597 32.667 -0.070 18332
623 1 2 . 1 1 75 75 LYS H H 96 8.074 8.074 8.714 -0.640 18332
624 1 2 . 1 1 76 76 SER N N 97 111.880 111.880 113.573 -1.693 18332
625 1 2 . 1 1 76 76 SER HA H 97 4.625 4.625 4.539 0.086 18332
626 1 2 . 1 1 76 76 SER CA C 97 58.593 58.593 57.621 0.972 18332
627 1 2 . 1 1 76 76 SER CB C 97 64.106 64.106 63.478 0.628 18332
628 1 2 . 1 1 76 76 SER H H 97 8.828 8.828 7.912 0.916 18332
629 1 2 . 1 1 77 77 ALA N N 98 122.995 122.995 124.789 -1.794 18332
630 1 2 . 1 1 77 77 ALA HA H 98 4.121 4.121 4.531 -0.410 18332
631 1 2 . 1 1 77 77 ALA CA C 98 51.218 51.218 51.988 -0.770 18332
632 1 2 . 1 1 77 77 ALA CB C 98 21.866 21.866 19.794 2.072 18332
633 1 2 . 1 1 77 77 ALA H H 98 7.341 7.341 7.248 0.093 18332
634 1 2 . 1 1 78 78 ASP N N 99 115.649 115.649 122.587 -6.938 18332
635 1 2 . 1 1 78 78 ASP HA H 99 5.435 5.435 4.787 0.648 18332
636 1 2 . 1 1 78 78 ASP CA C 99 52.144 52.144 53.867 -1.723 18332
637 1 2 . 1 1 78 78 ASP CB C 99 43.392 43.392 42.987 0.405 18332
638 1 2 . 1 1 78 78 ASP H H 99 8.206 8.206 8.557 -0.351 18332
639 1 2 . 1 1 79 79 ILE N N 100 120.032 120.032 124.172 -4.140 18332
640 1 2 . 1 1 79 79 ILE HA H 100 4.177 4.177 4.488 -0.311 18332
641 1 2 . 1 1 79 79 ILE CA C 100 60.560 60.560 60.807 -0.247 18332
642 1 2 . 1 1 79 79 ILE CB C 100 41.095 41.095 39.891 1.204 18332
643 1 2 . 1 1 79 79 ILE H H 100 9.039 9.039 8.254 0.785 18332
644 1 2 . 1 1 83 83 VAL HA H 104 4.779 4.779 4.435 0.344 18332
645 1 2 . 1 1 83 83 VAL CA C 104 61.192 61.192 62.250 -1.058 18332
646 1 2 . 1 1 83 83 VAL CB C 104 31.896 31.896 32.414 -0.518 18332
647 1 2 . 1 1 84 84 SER N N 105 124.376 124.376 124.692 -0.316 18332
648 1 2 . 1 1 84 84 SER HA H 105 5.393 5.393 4.901 0.492 18332
649 1 2 . 1 1 84 84 SER CA C 105 56.419 56.419 57.977 -1.558 18332
650 1 2 . 1 1 84 84 SER CB C 105 63.496 63.496 62.700 0.796 18332
651 1 2 . 1 1 84 84 SER H H 105 8.973 8.973 8.526 0.447 18332
652 1 2 . 1 1 85 85 VAL N N 106 127.349 127.349 127.983 -0.634 18332
653 1 2 . 1 1 85 85 VAL HA H 106 4.090 4.090 4.318 -0.228 18332
654 1 2 . 1 1 85 85 VAL CA C 106 61.843 61.843 61.802 0.041 18332
655 1 2 . 1 1 85 85 VAL CB C 106 34.995 34.995 33.547 1.448 18332
656 1 2 . 1 1 85 85 VAL H H 106 9.254 9.254 9.326 -0.072 18332
657 1 2 . 1 1 86 86 ASP N N 107 126.522 126.522 128.035 -1.513 18332
658 1 2 . 1 1 86 86 ASP HA H 107 5.149 5.149 5.066 0.083 18332
659 1 2 . 1 1 86 86 ASP CA C 107 52.528 52.528 53.549 -1.021 18332
660 1 2 . 1 1 86 86 ASP CB C 107 41.694 41.694 42.912 -1.218 18332
661 1 2 . 1 1 86 86 ASP H H 107 8.877 8.877 8.839 0.038 18332
662 1 2 . 1 1 87 87 CYS N N 108 120.863 120.863 125.545 -4.682 18332
663 1 2 . 1 1 87 87 CYS HA H 108 4.828 4.828 4.357 0.471 18332
664 1 2 . 1 1 87 87 CYS CA C 108 57.070 57.070 60.924 -3.854 18332
665 1 2 . 1 1 87 87 CYS CB C 108 40.994 40.994 27.953 13.041 18332
666 1 2 . 1 1 87 87 CYS H H 108 8.989 8.989 9.383 -0.394 18332
667 1 2 . 1 1 88 88 LYS N N 109 118.800 118.800 119.486 -0.686 18332
668 1 2 . 1 1 88 88 LYS HA H 109 4.384 4.384 4.242 0.142 18332
669 1 2 . 1 1 88 88 LYS CA C 109 58.418 58.418 58.367 0.051 18332
670 1 2 . 1 1 88 88 LYS CB C 109 32.625 32.625 31.983 0.642 18332
671 1 2 . 1 1 88 88 LYS H H 109 8.374 8.374 8.773 -0.399 18332
672 1 2 . 1 1 89 89 ALA N N 110 119.495 119.495 119.263 0.232 18332
673 1 2 . 1 1 89 89 ALA HA H 110 4.285 4.285 4.456 -0.171 18332
674 1 2 . 1 1 89 89 ALA CA C 110 52.221 52.221 51.987 0.234 18332
675 1 2 . 1 1 89 89 ALA CB C 110 19.837 19.837 19.490 0.347 18332
676 1 2 . 1 1 89 89 ALA H H 110 7.777 7.777 7.713 0.064 18332
677 1 2 . 1 1 90 90 GLY N N 111 107.111 107.111 107.657 -0.546 18332
678 1 2 . 1 1 90 90 GLY CA C 111 47.745 47.745 45.177 2.568 18332
679 1 2 . 1 1 90 90 GLY H H 111 8.084 8.084 7.677 0.407 18332
680 1 2 . 1 1 91 91 MET N N 112 118.682 118.682 118.155 0.527 18332
681 1 2 . 1 1 91 91 MET HA H 112 5.426 5.426 4.660 0.766 18332
682 1 2 . 1 1 91 91 MET CA C 112 53.755 53.755 54.124 -0.369 18332
683 1 2 . 1 1 91 91 MET CB C 112 37.293 37.293 36.550 0.743 18332
684 1 2 . 1 1 91 91 MET H H 112 7.731 7.731 7.845 -0.114 18332
685 1 2 . 1 1 92 92 ALA N N 113 123.295 123.295 121.986 1.309 18332
686 1 2 . 1 1 92 92 ALA HA H 113 5.297 5.297 5.258 0.039 18332
687 1 2 . 1 1 92 92 ALA CA C 113 50.306 50.306 51.330 -1.024 18332
688 1 2 . 1 1 92 92 ALA CB C 113 23.342 23.342 21.606 1.736 18332
689 1 2 . 1 1 92 92 ALA H H 113 9.225 9.225 8.332 0.893 18332
690 1 2 . 1 1 93 93 GLU N N 114 120.553 120.553 122.988 -2.435 18332
691 1 2 . 1 1 93 93 GLU HA H 114 5.348 5.348 4.631 0.717 18332
692 1 2 . 1 1 93 93 GLU CA C 114 54.721 54.721 54.777 -0.056 18332
693 1 2 . 1 1 93 93 GLU CB C 114 32.530 32.530 32.484 0.045 18332
694 1 2 . 1 1 93 93 GLU H H 114 8.840 8.840 8.467 0.373 18332
695 1 3 . 1 1 2 2 ASN CA C 23 53.576 53.576 52.299 1.277 18332
696 1 3 . 1 1 2 2 ASN CB C 23 38.913 38.913 40.693 -1.780 18332
697 1 3 . 1 1 3 3 ASN N N 24 119.074 119.074 121.151 -2.077 18332
698 1 3 . 1 1 3 3 ASN C C 24 175.201 175.201 175.029 0.172 18332
699 1 3 . 1 1 3 3 ASN CA C 24 53.609 53.609 53.437 0.172 18332
700 1 3 . 1 1 3 3 ASN CB C 24 38.885 38.885 38.442 0.443 18332
701 1 3 . 1 1 3 3 ASN H H 24 8.546 8.546 8.747 -0.201 18332
702 1 3 . 1 1 4 4 GLU N N 25 120.681 120.681 122.895 -2.214 18332
703 1 3 . 1 1 4 4 GLU HA H 25 4.512 4.512 4.452 0.060 18332
704 1 3 . 1 1 4 4 GLU C C 25 176.957 176.957 176.035 0.922 18332
705 1 3 . 1 1 4 4 GLU CA C 25 57.107 57.107 56.326 0.781 18332
706 1 3 . 1 1 4 4 GLU CB C 25 30.502 30.502 30.150 0.352 18332
707 1 3 . 1 1 4 4 GLU H H 25 8.431 8.431 8.257 0.174 18332
708 1 3 . 1 1 5 5 THR N N 26 113.493 113.493 113.489 0.004 18332
709 1 3 . 1 1 5 5 THR HA H 26 4.332 4.332 4.394 -0.062 18332
710 1 3 . 1 1 5 5 THR C C 26 174.268 174.268 174.544 -0.276 18332
711 1 3 . 1 1 5 5 THR CA C 26 61.970 61.970 62.423 -0.453 18332
712 1 3 . 1 1 5 5 THR CB C 26 70.089 70.089 68.747 1.342 18332
713 1 3 . 1 1 5 5 THR H H 26 8.198 8.198 7.702 0.496 18332
714 1 3 . 1 1 6 6 SER N N 27 117.653 117.653 121.924 -4.271 18332
715 1 3 . 1 1 6 6 SER HA H 27 5.077 5.077 4.672 0.405 18332
716 1 3 . 1 1 6 6 SER C C 27 174.087 174.087 174.623 -0.536 18332
717 1 3 . 1 1 6 6 SER CA C 27 57.821 57.821 57.846 -0.025 18332
718 1 3 . 1 1 6 6 SER CB C 27 64.827 64.827 64.058 0.769 18332
719 1 3 . 1 1 6 6 SER H H 27 8.180 8.180 8.562 -0.382 18332
720 1 3 . 1 1 8 8 SER HA H 29 5.455 5.455 4.696 0.759 18332
721 1 3 . 1 1 8 8 SER C C 29 174.725 174.725 173.191 1.534 18332
722 1 3 . 1 1 8 8 SER CA C 29 57.885 57.885 58.185 -0.300 18332
723 1 3 . 1 1 8 8 SER CB C 29 63.990 63.990 63.597 0.393 18332
724 1 3 . 1 1 9 9 VAL N N 30 118.961 118.961 124.155 -5.194 18332
725 1 3 . 1 1 9 9 VAL HA H 30 5.002 5.002 4.338 0.664 18332
726 1 3 . 1 1 9 9 VAL C C 30 175.300 175.300 174.391 0.909 18332
727 1 3 . 1 1 9 9 VAL CA C 30 58.828 58.828 61.541 -2.712 18332
728 1 3 . 1 1 9 9 VAL CB C 30 36.058 36.058 34.528 1.530 18332
729 1 3 . 1 1 9 9 VAL H H 30 9.435 9.435 8.410 1.025 18332
730 1 3 . 1 1 10 10 THR N N 31 116.623 116.623 123.513 -6.890 18332
731 1 3 . 1 1 10 10 THR HA H 31 4.726 4.726 4.749 -0.023 18332
732 1 3 . 1 1 10 10 THR C C 31 173.102 173.102 173.617 -0.515 18332
733 1 3 . 1 1 10 10 THR CA C 31 63.291 63.291 61.886 1.405 18332
734 1 3 . 1 1 10 10 THR CB C 31 69.490 69.490 68.648 0.842 18332
735 1 3 . 1 1 10 10 THR H H 31 8.284 8.284 8.262 0.022 18332
736 1 3 . 1 1 11 11 PHE N N 32 129.214 129.214 123.051 6.163 18332
737 1 3 . 1 1 11 11 PHE HA H 32 4.167 4.167 4.913 -0.746 18332
738 1 3 . 1 1 11 11 PHE C C 32 172.082 172.082 172.443 -0.361 18332
739 1 3 . 1 1 11 11 PHE CA C 32 55.403 55.403 54.000 1.403 18332
740 1 3 . 1 1 11 11 PHE CB C 32 39.318 39.318 39.741 -0.423 18332
741 1 3 . 1 1 11 11 PHE H H 32 8.029 8.029 7.920 0.109 18332
742 1 3 . 1 1 12 12 PRO HA H 33 4.130 4.130 4.801 -0.671 18332
743 1 3 . 1 1 12 12 PRO CA C 33 62.885 62.885 62.367 0.518 18332
744 1 3 . 1 1 12 12 PRO CB C 33 31.435 31.435 32.307 -0.872 18332
745 1 3 . 1 1 13 13 LYS N N 34 120.291 120.291 122.121 -1.830 18332
746 1 3 . 1 1 13 13 LYS HA H 34 4.172 4.172 4.378 -0.206 18332
747 1 3 . 1 1 13 13 LYS CA C 34 58.877 58.877 57.712 1.165 18332
748 1 3 . 1 1 13 13 LYS CB C 34 31.852 31.852 33.724 -1.871 18332
749 1 3 . 1 1 13 13 LYS H H 34 7.980 7.980 8.895 -0.915 18332
750 1 3 . 1 1 14 14 CYS N N 35 116.206 116.206 117.054 -0.848 18332
751 1 3 . 1 1 14 14 CYS HA H 35 5.081 5.081 4.900 0.181 18332
752 1 3 . 1 1 14 14 CYS CA C 35 54.045 54.045 56.777 -2.732 18332
753 1 3 . 1 1 14 14 CYS CB C 35 40.904 40.904 28.130 12.774 18332
754 1 3 . 1 1 14 14 CYS H H 35 8.056 8.056 7.544 0.512 18332
755 1 3 . 1 1 15 15 GLU N N 36 122.110 122.110 124.631 -2.521 18332
756 1 3 . 1 1 15 15 GLU HA H 36 4.017 4.017 4.112 -0.095 18332
757 1 3 . 1 1 15 15 GLU CA C 36 59.377 59.377 58.766 0.611 18332
758 1 3 . 1 1 15 15 GLU CB C 36 29.852 29.852 29.818 0.034 18332
759 1 3 . 1 1 15 15 GLU H H 36 8.949 8.949 8.706 0.243 18332
760 1 3 . 1 1 16 16 ASP N N 37 115.460 115.460 118.653 -3.193 18332
761 1 3 . 1 1 16 16 ASP HA H 37 4.586 4.586 4.713 -0.127 18332
762 1 3 . 1 1 16 16 ASP CA C 37 54.947 54.947 54.136 0.811 18332
763 1 3 . 1 1 16 16 ASP CB C 37 40.051 40.051 41.233 -1.182 18332
764 1 3 . 1 1 16 16 ASP H H 37 8.947 8.947 8.198 0.749 18332
765 1 3 . 1 1 17 17 LEU N N 38 119.514 119.514 121.670 -2.156 18332
766 1 3 . 1 1 17 17 LEU HA H 38 4.550 4.550 4.260 0.290 18332
767 1 3 . 1 1 17 17 LEU CA C 38 54.800 54.800 55.425 -0.625 18332
768 1 3 . 1 1 17 17 LEU CB C 38 43.291 43.291 42.745 0.546 18332
769 1 3 . 1 1 17 17 LEU H H 38 7.468 7.468 7.549 -0.081 18332
770 1 3 . 1 1 18 18 ASP N N 39 118.819 118.819 121.069 -2.250 18332
771 1 3 . 1 1 18 18 ASP HA H 39 4.831 4.831 4.828 0.003 18332
772 1 3 . 1 1 18 18 ASP CA C 39 51.261 51.261 53.134 -1.873 18332
773 1 3 . 1 1 18 18 ASP CB C 39 41.863 41.863 43.994 -2.131 18332
774 1 3 . 1 1 18 18 ASP H H 39 7.645 7.645 8.133 -0.488 18332
775 1 3 . 1 1 19 19 ALA N N 40 120.945 120.945 122.094 -1.149 18332
776 1 3 . 1 1 19 19 ALA HA H 40 3.202 3.202 3.350 -0.148 18332
777 1 3 . 1 1 19 19 ALA CA C 40 55.690 55.690 55.111 0.579 18332
778 1 3 . 1 1 19 19 ALA CB C 40 18.317 18.317 18.700 -0.383 18332
779 1 3 . 1 1 19 19 ALA H H 40 8.457 8.457 8.622 -0.165 18332
780 1 3 . 1 1 20 20 ALA N N 41 117.582 117.582 120.425 -2.843 18332
781 1 3 . 1 1 20 20 ALA HA H 41 3.921 3.921 4.044 -0.123 18332
782 1 3 . 1 1 20 20 ALA CA C 41 55.042 55.042 54.830 0.212 18332
783 1 3 . 1 1 20 20 ALA CB C 41 17.773 17.773 18.129 -0.356 18332
784 1 3 . 1 1 20 20 ALA H H 41 7.944 7.944 8.270 -0.326 18332
785 1 3 . 1 1 21 21 GLY N N 42 109.614 109.614 107.205 2.409 18332
786 1 3 . 1 1 21 21 GLY CA C 42 47.069 47.069 46.560 0.509 18332
787 1 3 . 1 1 21 21 GLY H H 42 8.278 8.278 7.541 0.737 18332
788 1 3 . 1 1 22 22 ILE N N 43 126.734 126.734 123.639 3.095 18332
789 1 3 . 1 1 22 22 ILE HA H 43 3.731 3.731 3.424 0.307 18332
790 1 3 . 1 1 22 22 ILE CA C 43 61.614 61.614 63.402 -1.788 18332
791 1 3 . 1 1 22 22 ILE CB C 43 35.840 35.840 36.803 -0.963 18332
792 1 3 . 1 1 22 22 ILE H H 43 8.631 8.631 8.171 0.460 18332
793 1 3 . 1 1 23 23 ALA N N 44 123.871 123.871 121.196 2.675 18332
794 1 3 . 1 1 23 23 ALA HA H 44 3.676 3.676 3.875 -0.199 18332
795 1 3 . 1 1 23 23 ALA CA C 44 55.788 55.788 55.480 0.307 18332
796 1 3 . 1 1 23 23 ALA CB C 44 18.707 18.707 17.756 0.951 18332
797 1 3 . 1 1 23 23 ALA H H 44 8.347 8.347 8.016 0.331 18332
798 1 3 . 1 1 24 24 ALA N N 45 117.860 117.860 119.991 -2.131 18332
799 1 3 . 1 1 24 24 ALA HA H 45 4.047 4.047 4.032 0.015 18332
800 1 3 . 1 1 24 24 ALA CA C 45 55.068 55.068 54.806 0.262 18332
801 1 3 . 1 1 24 24 ALA CB C 45 18.177 18.177 18.035 0.142 18332
802 1 3 . 1 1 24 24 ALA H H 45 7.593 7.593 7.692 -0.099 18332
803 1 3 . 1 1 25 25 SER N N 46 115.177 115.177 114.807 0.370 18332
804 1 3 . 1 1 25 25 SER HA H 46 4.103 4.103 4.199 -0.096 18332
805 1 3 . 1 1 25 25 SER CA C 46 62.044 62.044 61.375 0.669 18332
806 1 3 . 1 1 25 25 SER CB C 46 63.061 63.061 63.160 -0.099 18332
807 1 3 . 1 1 25 25 SER H H 46 8.086 8.086 7.916 0.170 18332
808 1 3 . 1 1 26 26 VAL N N 47 123.762 123.762 122.355 1.407 18332
809 1 3 . 1 1 26 26 VAL HA H 47 3.831 3.831 3.512 0.319 18332
810 1 3 . 1 1 26 26 VAL CA C 47 67.401 67.401 66.894 0.507 18332
811 1 3 . 1 1 26 26 VAL CB C 47 31.775 31.775 31.706 0.069 18332
812 1 3 . 1 1 26 26 VAL H H 47 8.733 8.733 8.487 0.246 18332
813 1 3 . 1 1 27 27 LYS N N 48 118.412 118.412 119.253 -0.841 18332
814 1 3 . 1 1 27 27 LYS HA H 48 3.729 3.729 4.007 -0.278 18332
815 1 3 . 1 1 27 27 LYS CA C 48 61.242 61.242 60.065 1.177 18332
816 1 3 . 1 1 27 27 LYS CB C 48 32.696 32.696 31.955 0.741 18332
817 1 3 . 1 1 27 27 LYS H H 48 7.931 7.931 8.182 -0.251 18332
818 1 3 . 1 1 28 28 ARG N N 49 116.894 116.894 119.025 -2.131 18332
819 1 3 . 1 1 28 28 ARG HA H 49 4.123 4.123 3.922 0.201 18332
820 1 3 . 1 1 28 28 ARG CA C 49 59.414 59.414 59.318 0.096 18332
821 1 3 . 1 1 28 28 ARG CB C 49 30.338 30.338 30.075 0.263 18332
822 1 3 . 1 1 28 28 ARG H H 49 7.941 7.941 8.083 -0.142 18332
823 1 3 . 1 1 29 29 ASP N N 50 119.598 119.598 119.305 0.293 18332
824 1 3 . 1 1 29 29 ASP HA H 50 4.161 4.161 4.349 -0.188 18332
825 1 3 . 1 1 29 29 ASP CA C 50 58.581 58.581 57.038 1.543 18332
826 1 3 . 1 1 29 29 ASP CB C 50 43.769 43.769 40.393 3.376 18332
827 1 3 . 1 1 29 29 ASP H H 50 8.250 8.250 8.005 0.245 18332
828 1 3 . 1 1 30 30 TYR N N 51 119.757 119.757 116.975 2.782 18332
829 1 3 . 1 1 30 30 TYR CA C 51 62.615 62.615 60.649 1.966 18332
830 1 3 . 1 1 30 30 TYR CB C 51 38.668 38.668 38.509 0.159 18332
831 1 3 . 1 1 30 30 TYR H H 51 8.680 8.680 7.432 1.248 18332
832 1 3 . 1 1 31 31 GLN N N 52 115.572 115.572 120.507 -4.935 18332
833 1 3 . 1 1 31 31 GLN HA H 52 4.126 4.126 3.979 0.147 18332
834 1 3 . 1 1 31 31 GLN C C 52 178.235 178.235 177.846 0.389 18332
835 1 3 . 1 1 31 31 GLN CA C 52 59.256 59.256 58.814 0.442 18332
836 1 3 . 1 1 31 31 GLN H H 52 8.287 8.287 8.420 -0.133 18332
837 1 3 . 1 1 32 32 GLN N N 53 114.416 114.416 117.880 -3.464 18332
838 1 3 . 1 1 32 32 GLN C C 53 177.224 177.224 177.322 -0.098 18332
839 1 3 . 1 1 32 32 GLN CA C 53 57.673 57.673 56.687 0.986 18332
840 1 3 . 1 1 32 32 GLN CB C 53 29.425 29.425 28.758 0.667 18332
841 1 3 . 1 1 32 32 GLN H H 53 8.848 8.848 8.160 0.688 18332
842 1 3 . 1 1 45 45 VAL HA H 66 4.239 4.239 3.956 0.283 18332
843 1 3 . 1 1 45 45 VAL CA C 66 63.712 63.712 63.570 0.142 18332
844 1 3 . 1 1 45 45 VAL CB C 66 32.252 32.252 31.522 0.730 18332
845 1 3 . 1 1 46 46 GLY N N 67 108.542 108.542 105.867 2.675 18332
846 1 3 . 1 1 46 46 GLY CA C 67 45.910 45.910 44.785 1.125 18332
847 1 3 . 1 1 46 46 GLY H H 67 8.027 8.027 7.623 0.404 18332
848 1 3 . 1 1 50 50 PRO HA H 71 4.129 4.129 4.785 -0.656 18332
849 1 3 . 1 1 50 50 PRO C C 71 176.009 176.009 176.595 -0.586 18332
850 1 3 . 1 1 50 50 PRO CA C 71 62.889 62.889 62.616 0.273 18332
851 1 3 . 1 1 50 50 PRO CB C 71 32.769 32.769 32.576 0.193 18332
852 1 3 . 1 1 51 51 VAL N N 72 123.129 123.129 124.670 -1.541 18332
853 1 3 . 1 1 51 51 VAL HA H 72 4.166 4.166 4.283 -0.117 18332
854 1 3 . 1 1 51 51 VAL C C 72 174.364 174.364 175.242 -0.878 18332
855 1 3 . 1 1 51 51 VAL CA C 72 62.794 62.794 61.359 1.435 18332
856 1 3 . 1 1 51 51 VAL CB C 72 32.947 32.947 33.756 -0.809 18332
857 1 3 . 1 1 51 51 VAL H H 72 8.537 8.537 8.167 0.370 18332
858 1 3 . 1 1 52 52 ALA N N 73 128.689 128.689 131.653 -2.964 18332
859 1 3 . 1 1 52 52 ALA HA H 73 5.437 5.437 5.293 0.144 18332
860 1 3 . 1 1 52 52 ALA C C 73 176.104 176.104 176.956 -0.852 18332
861 1 3 . 1 1 52 52 ALA CA C 73 50.307 50.307 51.164 -0.857 18332
862 1 3 . 1 1 52 52 ALA CB C 73 21.672 21.672 20.632 1.040 18332
863 1 3 . 1 1 52 52 ALA H H 73 8.272 8.272 8.638 -0.366 18332
864 1 3 . 1 1 53 53 TRP N N 74 122.550 122.550 121.480 1.070 18332
865 1 3 . 1 1 53 53 TRP HA H 74 4.890 4.890 5.026 -0.136 18332
866 1 3 . 1 1 53 53 TRP C C 74 174.515 174.515 173.582 0.933 18332
867 1 3 . 1 1 53 53 TRP CA C 74 56.883 56.883 55.229 1.654 18332
868 1 3 . 1 1 53 53 TRP CB C 74 32.120 32.120 31.148 0.972 18332
869 1 3 . 1 1 53 53 TRP H H 74 9.301 9.301 9.062 0.239 18332
870 1 3 . 1 1 54 54 VAL HA H 75 4.424 4.424 4.238 0.186 18332
871 1 3 . 1 1 54 54 VAL C C 75 174.906 174.906 174.951 -0.045 18332
872 1 3 . 1 1 54 54 VAL CA C 75 60.326 60.326 60.386 -0.060 18332
873 1 3 . 1 1 54 54 VAL CB C 75 34.985 34.985 34.091 0.894 18332
874 1 3 . 1 1 55 55 SER N N 76 121.442 121.442 122.339 -0.897 18332
875 1 3 . 1 1 55 55 SER HA H 76 4.427 4.427 4.547 -0.120 18332
876 1 3 . 1 1 55 55 SER CA C 76 55.979 55.979 56.820 -0.841 18332
877 1 3 . 1 1 55 55 SER CB C 76 62.223 62.223 63.545 -1.322 18332
878 1 3 . 1 1 55 55 SER H H 76 7.855 7.855 8.272 -0.417 18332
879 1 3 . 1 1 56 56 LEU N N 77 129.932 129.932 130.010 -0.078 18332
880 1 3 . 1 1 56 56 LEU HA H 77 3.829 3.829 4.116 -0.287 18332
881 1 3 . 1 1 56 56 LEU CA C 77 58.257 58.257 58.111 0.146 18332
882 1 3 . 1 1 56 56 LEU CB C 77 41.844 41.844 41.533 0.311 18332
883 1 3 . 1 1 56 56 LEU H H 77 8.256 8.256 9.151 -0.895 18332
884 1 3 . 1 1 57 57 GLN N N 78 115.179 115.179 117.577 -2.398 18332
885 1 3 . 1 1 57 57 GLN HA H 78 4.186 4.186 4.157 0.029 18332
886 1 3 . 1 1 57 57 GLN CA C 78 57.730 57.730 58.336 -0.606 18332
887 1 3 . 1 1 57 57 GLN CB C 78 28.156 28.156 28.371 -0.215 18332
888 1 3 . 1 1 57 57 GLN H H 78 8.614 8.614 8.529 0.085 18332
889 1 3 . 1 1 58 58 ASP N N 79 116.803 116.803 116.735 0.068 18332
890 1 3 . 1 1 58 58 ASP HA H 79 4.901 4.901 4.723 0.178 18332
891 1 3 . 1 1 58 58 ASP CA C 79 54.261 54.261 53.110 1.151 18332
892 1 3 . 1 1 58 58 ASP CB C 79 43.008 43.008 41.689 1.319 18332
893 1 3 . 1 1 58 58 ASP H H 79 7.486 7.486 7.713 -0.227 18332
894 1 3 . 1 1 59 59 ILE N N 80 121.887 121.887 121.472 0.415 18332
895 1 3 . 1 1 59 59 ILE HA H 80 4.344 4.344 3.966 0.378 18332
896 1 3 . 1 1 59 59 ILE CA C 80 63.397 63.397 61.924 1.473 18332
897 1 3 . 1 1 59 59 ILE CB C 80 38.796 38.796 36.129 2.667 18332
898 1 3 . 1 1 59 59 ILE H H 80 7.278 7.278 7.578 -0.300 18332
899 1 3 . 1 1 60 60 GLN N N 81 126.140 126.140 127.773 -1.633 18332
900 1 3 . 1 1 60 60 GLN HA H 81 4.983 4.983 4.859 0.124 18332
901 1 3 . 1 1 60 60 GLN CA C 81 54.165 54.165 54.263 -0.098 18332
902 1 3 . 1 1 60 60 GLN CB C 81 32.639 32.639 33.122 -0.483 18332
903 1 3 . 1 1 60 60 GLN H H 81 8.318 8.318 8.185 0.133 18332
904 1 3 . 1 1 61 61 GLY N N 82 111.215 111.215 107.560 3.655 18332
905 1 3 . 1 1 61 61 GLY CA C 82 45.844 45.844 45.014 0.830 18332
906 1 3 . 1 1 61 61 GLY H H 82 8.484 8.484 8.158 0.326 18332
907 1 3 . 1 1 62 62 LYS N N 83 119.467 119.467 120.784 -1.317 18332
908 1 3 . 1 1 62 62 LYS HA H 83 3.986 3.986 4.537 -0.551 18332
909 1 3 . 1 1 62 62 LYS CA C 83 56.248 56.248 54.956 1.292 18332
910 1 3 . 1 1 62 62 LYS CB C 83 34.501 34.501 35.320 -0.819 18332
911 1 3 . 1 1 62 62 LYS H H 83 7.669 7.669 8.276 -0.607 18332
912 1 3 . 1 1 63 63 ASP N N 84 124.240 124.240 123.632 0.608 18332
913 1 3 . 1 1 63 63 ASP HA H 84 4.181 4.181 4.226 -0.045 18332
914 1 3 . 1 1 63 63 ASP CA C 84 56.029 56.029 56.834 -0.805 18332
915 1 3 . 1 1 63 63 ASP CB C 84 39.258 39.258 40.336 -1.078 18332
916 1 3 . 1 1 63 63 ASP H H 84 9.052 9.052 9.009 0.043 18332
917 1 3 . 1 1 64 64 ASP N N 85 110.367 110.367 116.226 -5.859 18332
918 1 3 . 1 1 64 64 ASP HA H 85 4.240 4.240 4.528 -0.288 18332
919 1 3 . 1 1 64 64 ASP CA C 85 56.115 56.115 53.792 2.323 18332
920 1 3 . 1 1 64 64 ASP CB C 85 40.468 40.468 42.592 -2.123 18332
921 1 3 . 1 1 64 64 ASP H H 85 8.261 8.261 8.400 -0.139 18332
922 1 3 . 1 1 65 65 LYS N N 86 119.587 119.587 121.639 -2.052 18332
923 1 3 . 1 1 65 65 LYS HA H 86 5.352 5.352 5.650 -0.298 18332
924 1 3 . 1 1 65 65 LYS CA C 86 55.218 55.218 55.135 0.083 18332
925 1 3 . 1 1 65 65 LYS CB C 86 34.418 34.418 34.110 0.308 18332
926 1 3 . 1 1 65 65 LYS H H 86 7.460 7.460 7.889 -0.429 18332
927 1 3 . 1 1 66 66 TRP N N 87 121.490 121.490 124.318 -2.828 18332
928 1 3 . 1 1 66 66 TRP HA H 87 5.307 5.307 5.298 0.009 18332
929 1 3 . 1 1 66 66 TRP C C 87 175.839 175.839 175.943 -0.104 18332
930 1 3 . 1 1 66 66 TRP CA C 87 55.834 55.834 55.980 -0.146 18332
931 1 3 . 1 1 66 66 TRP CB C 87 34.217 34.217 33.338 0.879 18332
932 1 3 . 1 1 66 66 TRP H H 87 8.903 8.903 9.173 -0.270 18332
933 1 3 . 1 1 67 67 SER N N 88 118.488 118.488 116.088 2.400 18332
934 1 3 . 1 1 67 67 SER HA H 88 5.236 5.236 5.604 -0.368 18332
935 1 3 . 1 1 67 67 SER CA C 88 57.197 57.197 56.769 0.428 18332
936 1 3 . 1 1 67 67 SER CB C 88 63.945 63.945 65.002 -1.058 18332
937 1 3 . 1 1 67 67 SER H H 88 9.382 9.382 9.372 0.010 18332
938 1 3 . 1 1 68 68 VAL N N 89 127.693 127.693 127.698 -0.005 18332
939 1 3 . 1 1 68 68 VAL HA H 89 4.620 4.620 4.378 0.242 18332
940 1 3 . 1 1 68 68 VAL CA C 89 59.246 59.246 59.722 -0.476 18332
941 1 3 . 1 1 68 68 VAL CB C 89 35.649 35.649 32.020 3.629 18332
942 1 3 . 1 1 68 68 VAL H H 89 9.360 9.360 8.887 0.473 18332
943 1 3 . 1 1 69 69 PRO HA H 90 4.077 4.077 4.385 -0.308 18332
944 1 3 . 1 1 69 69 PRO C C 90 174.726 174.726 176.181 -1.455 18332
945 1 3 . 1 1 69 69 PRO CA C 90 61.967 61.967 62.361 -0.394 18332
946 1 3 . 1 1 69 69 PRO CB C 90 31.095 31.095 32.099 -1.004 18332
947 1 3 . 1 1 70 70 LEU N N 91 126.522 126.522 118.889 7.633 18332
948 1 3 . 1 1 70 70 LEU HA H 91 4.818 4.818 4.629 0.189 18332
949 1 3 . 1 1 70 70 LEU C C 91 173.906 173.906 175.880 -1.974 18332
950 1 3 . 1 1 70 70 LEU CA C 91 53.978 53.978 54.433 -0.455 18332
951 1 3 . 1 1 70 70 LEU CB C 91 46.386 46.386 41.057 5.329 18332
952 1 3 . 1 1 70 70 LEU H H 91 8.767 8.767 8.240 0.527 18332
953 1 3 . 1 1 71 71 THR HA H 92 5.105 5.105 4.416 0.689 18332
954 1 3 . 1 1 71 71 THR H H 92 9.034 9.034 8.172 0.862 18332
955 1 3 . 1 1 72 72 VAL HA H 93 4.532 4.532 5.071 -0.539 18332
956 1 3 . 1 1 72 72 VAL CA C 93 61.333 61.333 59.383 1.950 18332
957 1 3 . 1 1 72 72 VAL CB C 93 33.826 33.826 35.615 -1.789 18332
958 1 3 . 1 1 73 73 ARG N N 94 126.565 126.565 126.917 -0.352 18332
959 1 3 . 1 1 73 73 ARG HA H 94 4.900 4.900 4.623 0.277 18332
960 1 3 . 1 1 73 73 ARG CA C 94 55.931 55.931 55.540 0.391 18332
961 1 3 . 1 1 73 73 ARG CB C 94 31.104 31.104 30.502 0.602 18332
962 1 3 . 1 1 73 73 ARG H H 94 8.833 8.833 8.957 -0.124 18332
963 1 3 . 1 1 74 74 GLY N N 95 112.938 112.938 111.694 1.244 18332
964 1 3 . 1 1 74 74 GLY CA C 95 44.454 44.454 44.513 -0.059 18332
965 1 3 . 1 1 74 74 GLY H H 95 8.562 8.562 8.304 0.258 18332
966 1 3 . 1 1 75 75 LYS N N 96 119.229 119.229 121.628 -2.399 18332
967 1 3 . 1 1 75 75 LYS HA H 96 4.243 4.243 4.442 -0.199 18332
968 1 3 . 1 1 75 75 LYS CA C 96 59.295 59.295 57.234 2.061 18332
969 1 3 . 1 1 75 75 LYS CB C 96 32.597 32.597 32.788 -0.191 18332
970 1 3 . 1 1 75 75 LYS H H 96 8.074 8.074 8.456 -0.382 18332
971 1 3 . 1 1 76 76 SER N N 97 111.880 111.880 115.068 -3.188 18332
972 1 3 . 1 1 76 76 SER HA H 97 4.625 4.625 4.363 0.262 18332
973 1 3 . 1 1 76 76 SER CA C 97 58.593 58.593 58.511 0.082 18332
974 1 3 . 1 1 76 76 SER CB C 97 64.106 64.106 63.521 0.585 18332
975 1 3 . 1 1 76 76 SER H H 97 8.828 8.828 8.022 0.806 18332
976 1 3 . 1 1 77 77 ALA N N 98 122.995 122.995 124.235 -1.240 18332
977 1 3 . 1 1 77 77 ALA HA H 98 4.121 4.121 4.500 -0.379 18332
978 1 3 . 1 1 77 77 ALA CA C 98 51.218 51.218 51.691 -0.473 18332
979 1 3 . 1 1 77 77 ALA CB C 98 21.866 21.866 19.694 2.172 18332
980 1 3 . 1 1 77 77 ALA H H 98 7.341 7.341 7.387 -0.046 18332
981 1 3 . 1 1 78 78 ASP N N 99 115.649 115.649 119.998 -4.349 18332
982 1 3 . 1 1 78 78 ASP HA H 99 5.435 5.435 4.834 0.601 18332
983 1 3 . 1 1 78 78 ASP CA C 99 52.144 52.144 53.644 -1.500 18332
984 1 3 . 1 1 78 78 ASP CB C 99 43.392 43.392 43.338 0.054 18332
985 1 3 . 1 1 78 78 ASP H H 99 8.206 8.206 8.368 -0.162 18332
986 1 3 . 1 1 79 79 ILE N N 100 120.032 120.032 118.819 1.213 18332
987 1 3 . 1 1 79 79 ILE HA H 100 4.177 4.177 4.757 -0.580 18332
988 1 3 . 1 1 79 79 ILE CA C 100 60.560 60.560 60.530 0.030 18332
989 1 3 . 1 1 79 79 ILE CB C 100 41.095 41.095 41.084 0.011 18332
990 1 3 . 1 1 79 79 ILE H H 100 9.039 9.039 8.340 0.699 18332
991 1 3 . 1 1 83 83 VAL HA H 104 4.779 4.779 5.108 -0.329 18332
992 1 3 . 1 1 83 83 VAL CA C 104 61.192 61.192 60.810 0.382 18332
993 1 3 . 1 1 83 83 VAL CB C 104 31.896 31.896 35.373 -3.477 18332
994 1 3 . 1 1 84 84 SER N N 105 124.376 124.376 122.759 1.617 18332
995 1 3 . 1 1 84 84 SER HA H 105 5.393 5.393 5.364 0.029 18332
996 1 3 . 1 1 84 84 SER CA C 105 56.419 56.419 57.562 -1.143 18332
997 1 3 . 1 1 84 84 SER CB C 105 63.496 63.496 63.389 0.107 18332
998 1 3 . 1 1 84 84 SER H H 105 8.973 8.973 9.285 -0.312 18332
999 1 3 . 1 1 85 85 VAL N N 106 127.349 127.349 128.419 -1.070 18332
1000 1 3 . 1 1 85 85 VAL HA H 106 4.090 4.090 4.283 -0.193 18332
1001 1 3 . 1 1 85 85 VAL CA C 106 61.843 61.843 62.394 -0.551 18332
1002 1 3 . 1 1 85 85 VAL CB C 106 34.995 34.995 32.926 2.069 18332
1003 1 3 . 1 1 85 85 VAL H H 106 9.254 9.254 9.284 -0.030 18332
1004 1 3 . 1 1 86 86 ASP N N 107 126.522 126.522 128.768 -2.246 18332
1005 1 3 . 1 1 86 86 ASP HA H 107 5.149 5.149 4.950 0.199 18332
1006 1 3 . 1 1 86 86 ASP CA C 107 52.528 52.528 53.846 -1.319 18332
1007 1 3 . 1 1 86 86 ASP CB C 107 41.694 41.694 42.293 -0.599 18332
1008 1 3 . 1 1 86 86 ASP H H 107 8.877 8.877 8.738 0.139 18332
1009 1 3 . 1 1 87 87 CYS N N 108 120.863 120.863 125.859 -4.996 18332
1010 1 3 . 1 1 87 87 CYS HA H 108 4.828 4.828 4.314 0.514 18332
1011 1 3 . 1 1 87 87 CYS CA C 108 57.070 57.070 61.059 -3.989 18332
1012 1 3 . 1 1 87 87 CYS CB C 108 40.994 40.994 27.944 13.050 18332
1013 1 3 . 1 1 87 87 CYS H H 108 8.989 8.989 9.179 -0.190 18332
1014 1 3 . 1 1 88 88 LYS N N 109 118.800 118.800 120.047 -1.247 18332
1015 1 3 . 1 1 88 88 LYS HA H 109 4.384 4.384 4.187 0.197 18332
1016 1 3 . 1 1 88 88 LYS CA C 109 58.418 58.418 58.531 -0.113 18332
1017 1 3 . 1 1 88 88 LYS CB C 109 32.625 32.625 31.885 0.740 18332
1018 1 3 . 1 1 88 88 LYS H H 109 8.374 8.374 9.203 -0.829 18332
1019 1 3 . 1 1 89 89 ALA N N 110 119.495 119.495 118.936 0.559 18332
1020 1 3 . 1 1 89 89 ALA HA H 110 4.285 4.285 4.442 -0.157 18332
1021 1 3 . 1 1 89 89 ALA CA C 110 52.221 52.221 51.941 0.280 18332
1022 1 3 . 1 1 89 89 ALA CB C 110 19.837 19.837 19.828 0.009 18332
1023 1 3 . 1 1 89 89 ALA H H 110 7.777 7.777 7.709 0.068 18332
1024 1 3 . 1 1 90 90 GLY N N 111 107.111 107.111 106.504 0.607 18332
1025 1 3 . 1 1 90 90 GLY CA C 111 47.745 47.745 45.118 2.627 18332
1026 1 3 . 1 1 90 90 GLY H H 111 8.084 8.084 7.621 0.463 18332
1027 1 3 . 1 1 91 91 MET N N 112 118.682 118.682 118.007 0.675 18332
1028 1 3 . 1 1 91 91 MET HA H 112 5.426 5.426 4.690 0.736 18332
1029 1 3 . 1 1 91 91 MET CA C 112 53.755 53.755 54.151 -0.396 18332
1030 1 3 . 1 1 91 91 MET CB C 112 37.293 37.293 36.712 0.581 18332
1031 1 3 . 1 1 91 91 MET H H 112 7.731 7.731 7.808 -0.077 18332
1032 1 3 . 1 1 92 92 ALA N N 113 123.295 123.295 121.721 1.574 18332
1033 1 3 . 1 1 92 92 ALA HA H 113 5.297 5.297 5.362 -0.065 18332
1034 1 3 . 1 1 92 92 ALA CA C 113 50.306 50.306 51.688 -1.381 18332
1035 1 3 . 1 1 92 92 ALA CB C 113 23.342 23.342 21.522 1.820 18332
1036 1 3 . 1 1 92 92 ALA H H 113 9.225 9.225 8.336 0.889 18332
1037 1 3 . 1 1 93 93 GLU N N 114 120.553 120.553 125.143 -4.590 18332
1038 1 3 . 1 1 93 93 GLU HA H 114 5.348 5.348 4.767 0.581 18332
1039 1 3 . 1 1 93 93 GLU CA C 114 54.721 54.721 54.490 0.230 18332
1040 1 3 . 1 1 93 93 GLU CB C 114 32.530 32.530 31.892 0.638 18332
1041 1 3 . 1 1 93 93 GLU H H 114 8.840 8.840 8.596 0.244 18332
1042 1 4 . 1 1 2 2 ASN CA C 23 53.576 53.576 53.592 -0.016 18332
1043 1 4 . 1 1 2 2 ASN CB C 23 38.913 38.913 38.387 0.526 18332
1044 1 4 . 1 1 3 3 ASN N N 24 119.074 119.074 119.133 -0.059 18332
1045 1 4 . 1 1 3 3 ASN C C 24 175.201 175.201 173.872 1.329 18332
1046 1 4 . 1 1 3 3 ASN CA C 24 53.609 53.609 53.349 0.260 18332
1047 1 4 . 1 1 3 3 ASN CB C 24 38.885 38.885 38.464 0.421 18332
1048 1 4 . 1 1 3 3 ASN H H 24 8.546 8.546 8.512 0.034 18332
1049 1 4 . 1 1 4 4 GLU N N 25 120.681 120.681 120.908 -0.227 18332
1050 1 4 . 1 1 4 4 GLU HA H 25 4.512 4.512 4.414 0.098 18332
1051 1 4 . 1 1 4 4 GLU C C 25 176.957 176.957 176.529 0.428 18332
1052 1 4 . 1 1 4 4 GLU CA C 25 57.107 57.107 55.630 1.477 18332
1053 1 4 . 1 1 4 4 GLU CB C 25 30.502 30.502 29.932 0.570 18332
1054 1 4 . 1 1 4 4 GLU H H 25 8.431 8.431 8.285 0.146 18332
1055 1 4 . 1 1 5 5 THR N N 26 113.493 113.493 116.548 -3.055 18332
1056 1 4 . 1 1 5 5 THR HA H 26 4.332 4.332 4.551 -0.219 18332
1057 1 4 . 1 1 5 5 THR C C 26 174.268 174.268 174.461 -0.193 18332
1058 1 4 . 1 1 5 5 THR CA C 26 61.970 61.970 61.406 0.564 18332
1059 1 4 . 1 1 5 5 THR CB C 26 70.089 70.089 69.023 1.066 18332
1060 1 4 . 1 1 5 5 THR H H 26 8.198 8.198 8.420 -0.222 18332
1061 1 4 . 1 1 6 6 SER N N 27 117.653 117.653 121.008 -3.355 18332
1062 1 4 . 1 1 6 6 SER HA H 27 5.077 5.077 4.606 0.471 18332
1063 1 4 . 1 1 6 6 SER C C 27 174.087 174.087 174.813 -0.726 18332
1064 1 4 . 1 1 6 6 SER CA C 27 57.821 57.821 58.324 -0.503 18332
1065 1 4 . 1 1 6 6 SER CB C 27 64.827 64.827 63.769 1.058 18332
1066 1 4 . 1 1 6 6 SER H H 27 8.180 8.180 8.667 -0.487 18332
1067 1 4 . 1 1 8 8 SER HA H 29 5.455 5.455 4.612 0.843 18332
1068 1 4 . 1 1 8 8 SER C C 29 174.725 174.725 173.752 0.973 18332
1069 1 4 . 1 1 8 8 SER CA C 29 57.885 57.885 57.934 -0.049 18332
1070 1 4 . 1 1 8 8 SER CB C 29 63.990 63.990 62.873 1.117 18332
1071 1 4 . 1 1 9 9 VAL N N 30 118.961 118.961 124.545 -5.584 18332
1072 1 4 . 1 1 9 9 VAL HA H 30 5.002 5.002 4.449 0.553 18332
1073 1 4 . 1 1 9 9 VAL C C 30 175.300 175.300 175.251 0.049 18332
1074 1 4 . 1 1 9 9 VAL CA C 30 58.828 58.828 61.544 -2.716 18332
1075 1 4 . 1 1 9 9 VAL CB C 30 36.058 36.058 33.725 2.333 18332
1076 1 4 . 1 1 9 9 VAL H H 30 9.435 9.435 8.208 1.227 18332
1077 1 4 . 1 1 10 10 THR N N 31 116.623 116.623 120.969 -4.346 18332
1078 1 4 . 1 1 10 10 THR HA H 31 4.726 4.726 4.540 0.186 18332
1079 1 4 . 1 1 10 10 THR C C 31 173.102 173.102 174.101 -0.999 18332
1080 1 4 . 1 1 10 10 THR CA C 31 63.291 63.291 61.471 1.820 18332
1081 1 4 . 1 1 10 10 THR CB C 31 69.490 69.490 68.706 0.784 18332
1082 1 4 . 1 1 10 10 THR H H 31 8.284 8.284 8.442 -0.158 18332
1083 1 4 . 1 1 11 11 PHE N N 32 129.214 129.214 124.726 4.488 18332
1084 1 4 . 1 1 11 11 PHE HA H 32 4.167 4.167 4.982 -0.815 18332
1085 1 4 . 1 1 11 11 PHE C C 32 172.082 172.082 172.891 -0.809 18332
1086 1 4 . 1 1 11 11 PHE CA C 32 55.403 55.403 53.983 1.420 18332
1087 1 4 . 1 1 11 11 PHE CB C 32 39.318 39.318 39.785 -0.467 18332
1088 1 4 . 1 1 11 11 PHE H H 32 8.029 8.029 7.829 0.200 18332
1089 1 4 . 1 1 12 12 PRO HA H 33 4.130 4.130 4.784 -0.654 18332
1090 1 4 . 1 1 12 12 PRO CA C 33 62.885 62.885 62.521 0.364 18332
1091 1 4 . 1 1 12 12 PRO CB C 33 31.435 31.435 32.205 -0.770 18332
1092 1 4 . 1 1 13 13 LYS N N 34 120.291 120.291 122.585 -2.294 18332
1093 1 4 . 1 1 13 13 LYS HA H 34 4.172 4.172 4.377 -0.204 18332
1094 1 4 . 1 1 13 13 LYS CA C 34 58.877 58.877 58.161 0.716 18332
1095 1 4 . 1 1 13 13 LYS CB C 34 31.852 31.852 33.847 -1.995 18332
1096 1 4 . 1 1 13 13 LYS H H 34 7.980 7.980 8.597 -0.617 18332
1097 1 4 . 1 1 14 14 CYS N N 35 116.206 116.206 115.974 0.232 18332
1098 1 4 . 1 1 14 14 CYS HA H 35 5.081 5.081 4.896 0.185 18332
1099 1 4 . 1 1 14 14 CYS CA C 35 54.045 54.045 56.868 -2.823 18332
1100 1 4 . 1 1 14 14 CYS CB C 35 40.904 40.904 27.705 13.199 18332
1101 1 4 . 1 1 14 14 CYS H H 35 8.056 8.056 8.283 -0.227 18332
1102 1 4 . 1 1 15 15 GLU N N 36 122.110 122.110 124.242 -2.132 18332
1103 1 4 . 1 1 15 15 GLU HA H 36 4.017 4.017 4.187 -0.170 18332
1104 1 4 . 1 1 15 15 GLU CA C 36 59.377 59.377 58.702 0.675 18332
1105 1 4 . 1 1 15 15 GLU CB C 36 29.852 29.852 29.744 0.108 18332
1106 1 4 . 1 1 15 15 GLU H H 36 8.949 8.949 8.719 0.230 18332
1107 1 4 . 1 1 16 16 ASP N N 37 115.460 115.460 118.752 -3.292 18332
1108 1 4 . 1 1 16 16 ASP HA H 37 4.586 4.586 4.729 -0.143 18332
1109 1 4 . 1 1 16 16 ASP CA C 37 54.947 54.947 54.225 0.722 18332
1110 1 4 . 1 1 16 16 ASP CB C 37 40.051 40.051 41.334 -1.283 18332
1111 1 4 . 1 1 16 16 ASP H H 37 8.947 8.947 8.326 0.621 18332
1112 1 4 . 1 1 17 17 LEU N N 38 119.514 119.514 122.095 -2.581 18332
1113 1 4 . 1 1 17 17 LEU HA H 38 4.550 4.550 4.320 0.230 18332
1114 1 4 . 1 1 17 17 LEU CA C 38 54.800 54.800 55.359 -0.559 18332
1115 1 4 . 1 1 17 17 LEU CB C 38 43.291 43.291 42.658 0.633 18332
1116 1 4 . 1 1 17 17 LEU H H 38 7.468 7.468 7.548 -0.080 18332
1117 1 4 . 1 1 18 18 ASP N N 39 118.819 118.819 121.349 -2.530 18332
1118 1 4 . 1 1 18 18 ASP HA H 39 4.831 4.831 4.829 0.002 18332
1119 1 4 . 1 1 18 18 ASP CA C 39 51.261 51.261 53.076 -1.815 18332
1120 1 4 . 1 1 18 18 ASP CB C 39 41.863 41.863 43.557 -1.694 18332
1121 1 4 . 1 1 18 18 ASP H H 39 7.645 7.645 8.096 -0.451 18332
1122 1 4 . 1 1 19 19 ALA N N 40 120.945 120.945 122.691 -1.746 18332
1123 1 4 . 1 1 19 19 ALA HA H 40 3.202 3.202 3.309 -0.107 18332
1124 1 4 . 1 1 19 19 ALA CA C 40 55.690 55.690 54.968 0.722 18332
1125 1 4 . 1 1 19 19 ALA CB C 40 18.317 18.317 18.405 -0.088 18332
1126 1 4 . 1 1 19 19 ALA H H 40 8.457 8.457 8.481 -0.024 18332
1127 1 4 . 1 1 20 20 ALA N N 41 117.582 117.582 120.283 -2.701 18332
1128 1 4 . 1 1 20 20 ALA HA H 41 3.921 3.921 4.100 -0.179 18332
1129 1 4 . 1 1 20 20 ALA CA C 41 55.042 55.042 54.924 0.118 18332
1130 1 4 . 1 1 20 20 ALA CB C 41 17.773 17.773 18.057 -0.284 18332
1131 1 4 . 1 1 20 20 ALA H H 41 7.944 7.944 8.383 -0.439 18332
1132 1 4 . 1 1 21 21 GLY N N 42 109.614 109.614 107.166 2.448 18332
1133 1 4 . 1 1 21 21 GLY CA C 42 47.069 47.069 46.527 0.542 18332
1134 1 4 . 1 1 21 21 GLY H H 42 8.278 8.278 7.569 0.709 18332
1135 1 4 . 1 1 22 22 ILE N N 43 126.734 126.734 123.845 2.889 18332
1136 1 4 . 1 1 22 22 ILE HA H 43 3.731 3.731 3.494 0.237 18332
1137 1 4 . 1 1 22 22 ILE CA C 43 61.614 61.614 63.406 -1.792 18332
1138 1 4 . 1 1 22 22 ILE CB C 43 35.840 35.840 36.906 -1.066 18332
1139 1 4 . 1 1 22 22 ILE H H 43 8.631 8.631 8.113 0.518 18332
1140 1 4 . 1 1 23 23 ALA N N 44 123.871 123.871 122.227 1.644 18332
1141 1 4 . 1 1 23 23 ALA HA H 44 3.676 3.676 3.828 -0.152 18332
1142 1 4 . 1 1 23 23 ALA CA C 44 55.788 55.788 55.713 0.075 18332
1143 1 4 . 1 1 23 23 ALA CB C 44 18.707 18.707 17.910 0.797 18332
1144 1 4 . 1 1 23 23 ALA H H 44 8.347 8.347 7.996 0.351 18332
1145 1 4 . 1 1 24 24 ALA N N 45 117.860 117.860 120.123 -2.263 18332
1146 1 4 . 1 1 24 24 ALA HA H 45 4.047 4.047 4.110 -0.063 18332
1147 1 4 . 1 1 24 24 ALA CA C 45 55.068 55.068 54.896 0.172 18332
1148 1 4 . 1 1 24 24 ALA CB C 45 18.177 18.177 18.138 0.039 18332
1149 1 4 . 1 1 24 24 ALA H H 45 7.593 7.593 7.448 0.145 18332
1150 1 4 . 1 1 25 25 SER N N 46 115.177 115.177 114.957 0.220 18332
1151 1 4 . 1 1 25 25 SER HA H 46 4.103 4.103 4.184 -0.081 18332
1152 1 4 . 1 1 25 25 SER CA C 46 62.044 62.044 61.665 0.379 18332
1153 1 4 . 1 1 25 25 SER CB C 46 63.061 63.061 63.162 -0.101 18332
1154 1 4 . 1 1 25 25 SER H H 46 8.086 8.086 7.915 0.171 18332
1155 1 4 . 1 1 26 26 VAL N N 47 123.762 123.762 121.982 1.780 18332
1156 1 4 . 1 1 26 26 VAL HA H 47 3.831 3.831 3.465 0.366 18332
1157 1 4 . 1 1 26 26 VAL CA C 47 67.401 67.401 66.684 0.717 18332
1158 1 4 . 1 1 26 26 VAL CB C 47 31.775 31.775 31.576 0.199 18332
1159 1 4 . 1 1 26 26 VAL H H 47 8.733 8.733 8.535 0.198 18332
1160 1 4 . 1 1 27 27 LYS N N 48 118.412 118.412 120.062 -1.650 18332
1161 1 4 . 1 1 27 27 LYS HA H 48 3.729 3.729 4.091 -0.362 18332
1162 1 4 . 1 1 27 27 LYS CA C 48 61.242 61.242 60.438 0.804 18332
1163 1 4 . 1 1 27 27 LYS CB C 48 32.696 32.696 32.186 0.510 18332
1164 1 4 . 1 1 27 27 LYS H H 48 7.931 7.931 8.306 -0.375 18332
1165 1 4 . 1 1 28 28 ARG N N 49 116.894 116.894 119.112 -2.218 18332
1166 1 4 . 1 1 28 28 ARG HA H 49 4.123 4.123 4.000 0.123 18332
1167 1 4 . 1 1 28 28 ARG CA C 49 59.414 59.414 59.533 -0.119 18332
1168 1 4 . 1 1 28 28 ARG CB C 49 30.338 30.338 30.036 0.302 18332
1169 1 4 . 1 1 28 28 ARG H H 49 7.941 7.941 8.040 -0.099 18332
1170 1 4 . 1 1 29 29 ASP N N 50 119.598 119.598 118.983 0.615 18332
1171 1 4 . 1 1 29 29 ASP HA H 50 4.161 4.161 4.389 -0.228 18332
1172 1 4 . 1 1 29 29 ASP CA C 50 58.581 58.581 57.962 0.619 18332
1173 1 4 . 1 1 29 29 ASP CB C 50 43.769 43.769 40.626 3.143 18332
1174 1 4 . 1 1 29 29 ASP H H 50 8.250 8.250 8.054 0.196 18332
1175 1 4 . 1 1 30 30 TYR N N 51 119.757 119.757 116.959 2.798 18332
1176 1 4 . 1 1 30 30 TYR CA C 51 62.615 62.615 60.543 2.072 18332
1177 1 4 . 1 1 30 30 TYR CB C 51 38.668 38.668 38.295 0.373 18332
1178 1 4 . 1 1 30 30 TYR H H 51 8.680 8.680 7.364 1.316 18332
1179 1 4 . 1 1 31 31 GLN N N 52 115.572 115.572 118.771 -3.199 18332
1180 1 4 . 1 1 31 31 GLN HA H 52 4.126 4.126 3.967 0.159 18332
1181 1 4 . 1 1 31 31 GLN C C 52 178.235 178.235 177.921 0.314 18332
1182 1 4 . 1 1 31 31 GLN CA C 52 59.256 59.256 59.070 0.186 18332
1183 1 4 . 1 1 31 31 GLN H H 52 8.287 8.287 8.141 0.146 18332
1184 1 4 . 1 1 32 32 GLN N N 53 114.416 114.416 114.708 -0.292 18332
1185 1 4 . 1 1 32 32 GLN C C 53 177.224 177.224 176.334 0.890 18332
1186 1 4 . 1 1 32 32 GLN CA C 53 57.673 57.673 56.496 1.177 18332
1187 1 4 . 1 1 32 32 GLN CB C 53 29.425 29.425 29.055 0.370 18332
1188 1 4 . 1 1 32 32 GLN H H 53 8.848 8.848 7.923 0.925 18332
1189 1 4 . 1 1 45 45 VAL HA H 66 4.239 4.239 3.760 0.479 18332
1190 1 4 . 1 1 45 45 VAL CA C 66 63.712 63.712 64.529 -0.817 18332
1191 1 4 . 1 1 45 45 VAL CB C 66 32.252 32.252 31.112 1.140 18332
1192 1 4 . 1 1 46 46 GLY N N 67 108.542 108.542 108.404 0.138 18332
1193 1 4 . 1 1 46 46 GLY CA C 67 45.910 45.910 45.533 0.377 18332
1194 1 4 . 1 1 46 46 GLY H H 67 8.027 8.027 8.233 -0.206 18332
1195 1 4 . 1 1 50 50 PRO HA H 71 4.129 4.129 4.336 -0.207 18332
1196 1 4 . 1 1 50 50 PRO C C 71 176.009 176.009 176.145 -0.136 18332
1197 1 4 . 1 1 50 50 PRO CA C 71 62.889 62.889 62.845 0.044 18332
1198 1 4 . 1 1 50 50 PRO CB C 71 32.769 32.769 32.107 0.662 18332
1199 1 4 . 1 1 51 51 VAL N N 72 123.129 123.129 123.848 -0.719 18332
1200 1 4 . 1 1 51 51 VAL HA H 72 4.166 4.166 4.143 0.023 18332
1201 1 4 . 1 1 51 51 VAL C C 72 174.364 174.364 175.383 -1.019 18332
1202 1 4 . 1 1 51 51 VAL CA C 72 62.794 62.794 61.557 1.237 18332
1203 1 4 . 1 1 51 51 VAL CB C 72 32.947 32.947 31.321 1.626 18332
1204 1 4 . 1 1 51 51 VAL H H 72 8.537 8.537 8.483 0.054 18332
1205 1 4 . 1 1 52 52 ALA N N 73 128.689 128.689 132.235 -3.546 18332
1206 1 4 . 1 1 52 52 ALA HA H 73 5.437 5.437 5.088 0.349 18332
1207 1 4 . 1 1 52 52 ALA C C 73 176.104 176.104 176.728 -0.624 18332
1208 1 4 . 1 1 52 52 ALA CA C 73 50.307 50.307 51.246 -0.939 18332
1209 1 4 . 1 1 52 52 ALA CB C 73 21.672 21.672 20.342 1.330 18332
1210 1 4 . 1 1 52 52 ALA H H 73 8.272 8.272 8.585 -0.313 18332
1211 1 4 . 1 1 53 53 TRP N N 74 122.550 122.550 123.492 -0.942 18332
1212 1 4 . 1 1 53 53 TRP HA H 74 4.890 4.890 5.106 -0.216 18332
1213 1 4 . 1 1 53 53 TRP C C 74 174.515 174.515 173.534 0.981 18332
1214 1 4 . 1 1 53 53 TRP CA C 74 56.883 56.883 54.619 2.264 18332
1215 1 4 . 1 1 53 53 TRP CB C 74 32.120 32.120 31.592 0.528 18332
1216 1 4 . 1 1 53 53 TRP H H 74 9.301 9.301 9.030 0.271 18332
1217 1 4 . 1 1 54 54 VAL HA H 75 4.424 4.424 4.280 0.144 18332
1218 1 4 . 1 1 54 54 VAL C C 75 174.906 174.906 174.879 0.027 18332
1219 1 4 . 1 1 54 54 VAL CA C 75 60.326 60.326 60.043 0.283 18332
1220 1 4 . 1 1 54 54 VAL CB C 75 34.985 34.985 34.705 0.280 18332
1221 1 4 . 1 1 55 55 SER N N 76 121.442 121.442 121.249 0.193 18332
1222 1 4 . 1 1 55 55 SER HA H 76 4.427 4.427 4.657 -0.230 18332
1223 1 4 . 1 1 55 55 SER CA C 76 55.979 55.979 56.401 -0.422 18332
1224 1 4 . 1 1 55 55 SER CB C 76 62.223 62.223 63.657 -1.433 18332
1225 1 4 . 1 1 55 55 SER H H 76 7.855 7.855 8.563 -0.708 18332
1226 1 4 . 1 1 56 56 LEU N N 77 129.932 129.932 129.703 0.229 18332
1227 1 4 . 1 1 56 56 LEU HA H 77 3.829 3.829 4.155 -0.326 18332
1228 1 4 . 1 1 56 56 LEU CA C 77 58.257 58.257 57.893 0.364 18332
1229 1 4 . 1 1 56 56 LEU CB C 77 41.844 41.844 41.575 0.269 18332
1230 1 4 . 1 1 56 56 LEU H H 77 8.256 8.256 9.122 -0.866 18332
1231 1 4 . 1 1 57 57 GLN N N 78 115.179 115.179 117.510 -2.331 18332
1232 1 4 . 1 1 57 57 GLN HA H 78 4.186 4.186 4.173 0.013 18332
1233 1 4 . 1 1 57 57 GLN CA C 78 57.730 57.730 58.209 -0.479 18332
1234 1 4 . 1 1 57 57 GLN CB C 78 28.156 28.156 28.478 -0.322 18332
1235 1 4 . 1 1 57 57 GLN H H 78 8.614 8.614 8.489 0.125 18332
1236 1 4 . 1 1 58 58 ASP N N 79 116.803 116.803 116.613 0.190 18332
1237 1 4 . 1 1 58 58 ASP HA H 79 4.901 4.901 4.759 0.142 18332
1238 1 4 . 1 1 58 58 ASP CA C 79 54.261 54.261 53.742 0.519 18332
1239 1 4 . 1 1 58 58 ASP CB C 79 43.008 43.008 42.514 0.494 18332
1240 1 4 . 1 1 58 58 ASP H H 79 7.486 7.486 7.723 -0.237 18332
1241 1 4 . 1 1 59 59 ILE N N 80 121.887 121.887 121.524 0.363 18332
1242 1 4 . 1 1 59 59 ILE HA H 80 4.344 4.344 3.942 0.402 18332
1243 1 4 . 1 1 59 59 ILE CA C 80 63.397 63.397 61.697 1.700 18332
1244 1 4 . 1 1 59 59 ILE CB C 80 38.796 38.796 36.014 2.782 18332
1245 1 4 . 1 1 59 59 ILE H H 80 7.278 7.278 7.639 -0.361 18332
1246 1 4 . 1 1 60 60 GLN N N 81 126.140 126.140 126.210 -0.070 18332
1247 1 4 . 1 1 60 60 GLN HA H 81 4.983 4.983 4.859 0.124 18332
1248 1 4 . 1 1 60 60 GLN CA C 81 54.165 54.165 54.217 -0.052 18332
1249 1 4 . 1 1 60 60 GLN CB C 81 32.639 32.639 33.264 -0.625 18332
1250 1 4 . 1 1 60 60 GLN H H 81 8.318 8.318 8.296 0.022 18332
1251 1 4 . 1 1 61 61 GLY N N 82 111.215 111.215 107.984 3.231 18332
1252 1 4 . 1 1 61 61 GLY CA C 82 45.844 45.844 45.010 0.834 18332
1253 1 4 . 1 1 61 61 GLY H H 82 8.484 8.484 8.290 0.194 18332
1254 1 4 . 1 1 62 62 LYS N N 83 119.467 119.467 120.301 -0.834 18332
1255 1 4 . 1 1 62 62 LYS HA H 83 3.986 3.986 4.443 -0.457 18332
1256 1 4 . 1 1 62 62 LYS CA C 83 56.248 56.248 54.678 1.570 18332
1257 1 4 . 1 1 62 62 LYS CB C 83 34.501 34.501 35.223 -0.722 18332
1258 1 4 . 1 1 62 62 LYS H H 83 7.669 7.669 8.037 -0.368 18332
1259 1 4 . 1 1 63 63 ASP N N 84 124.240 124.240 122.609 1.631 18332
1260 1 4 . 1 1 63 63 ASP HA H 84 4.181 4.181 4.225 -0.044 18332
1261 1 4 . 1 1 63 63 ASP CA C 84 56.029 56.029 56.811 -0.782 18332
1262 1 4 . 1 1 63 63 ASP CB C 84 39.258 39.258 40.419 -1.161 18332
1263 1 4 . 1 1 63 63 ASP H H 84 9.052 9.052 8.988 0.064 18332
1264 1 4 . 1 1 64 64 ASP N N 85 110.367 110.367 114.509 -4.142 18332
1265 1 4 . 1 1 64 64 ASP HA H 85 4.240 4.240 4.613 -0.373 18332
1266 1 4 . 1 1 64 64 ASP CA C 85 56.115 56.115 54.164 1.951 18332
1267 1 4 . 1 1 64 64 ASP CB C 85 40.468 40.468 42.788 -2.320 18332
1268 1 4 . 1 1 64 64 ASP H H 85 8.261 8.261 8.381 -0.120 18332
1269 1 4 . 1 1 65 65 LYS N N 86 119.587 119.587 121.833 -2.246 18332
1270 1 4 . 1 1 65 65 LYS HA H 86 5.352 5.352 5.661 -0.309 18332
1271 1 4 . 1 1 65 65 LYS CA C 86 55.218 55.218 55.228 -0.010 18332
1272 1 4 . 1 1 65 65 LYS CB C 86 34.418 34.418 34.118 0.300 18332
1273 1 4 . 1 1 65 65 LYS H H 86 7.460 7.460 7.713 -0.253 18332
1274 1 4 . 1 1 66 66 TRP N N 87 121.490 121.490 124.698 -3.208 18332
1275 1 4 . 1 1 66 66 TRP HA H 87 5.307 5.307 5.179 0.128 18332
1276 1 4 . 1 1 66 66 TRP C C 87 175.839 175.839 175.788 0.051 18332
1277 1 4 . 1 1 66 66 TRP CA C 87 55.834 55.834 56.026 -0.192 18332
1278 1 4 . 1 1 66 66 TRP CB C 87 34.217 34.217 33.102 1.115 18332
1279 1 4 . 1 1 66 66 TRP H H 87 8.903 8.903 9.239 -0.336 18332
1280 1 4 . 1 1 67 67 SER N N 88 118.488 118.488 115.587 2.901 18332
1281 1 4 . 1 1 67 67 SER HA H 88 5.236 5.236 5.684 -0.448 18332
1282 1 4 . 1 1 67 67 SER CA C 88 57.197 57.197 56.184 1.013 18332
1283 1 4 . 1 1 67 67 SER CB C 88 63.945 63.945 65.025 -1.079 18332
1284 1 4 . 1 1 67 67 SER H H 88 9.382 9.382 9.428 -0.046 18332
1285 1 4 . 1 1 68 68 VAL N N 89 127.693 127.693 127.268 0.425 18332
1286 1 4 . 1 1 68 68 VAL HA H 89 4.620 4.620 4.482 0.138 18332
1287 1 4 . 1 1 68 68 VAL CA C 89 59.246 59.246 59.679 -0.433 18332
1288 1 4 . 1 1 68 68 VAL CB C 89 35.649 35.649 32.350 3.299 18332
1289 1 4 . 1 1 68 68 VAL H H 89 9.360 9.360 8.415 0.945 18332
1290 1 4 . 1 1 69 69 PRO HA H 90 4.077 4.077 4.432 -0.355 18332
1291 1 4 . 1 1 69 69 PRO C C 90 174.726 174.726 175.910 -1.184 18332
1292 1 4 . 1 1 69 69 PRO CA C 90 61.967 61.967 62.475 -0.508 18332
1293 1 4 . 1 1 69 69 PRO CB C 90 31.095 31.095 32.125 -1.030 18332
1294 1 4 . 1 1 70 70 LEU N N 91 126.522 126.522 119.937 6.585 18332
1295 1 4 . 1 1 70 70 LEU HA H 91 4.818 4.818 4.475 0.343 18332
1296 1 4 . 1 1 70 70 LEU C C 91 173.906 173.906 176.231 -2.325 18332
1297 1 4 . 1 1 70 70 LEU CA C 91 53.978 53.978 54.795 -0.817 18332
1298 1 4 . 1 1 70 70 LEU CB C 91 46.386 46.386 41.099 5.287 18332
1299 1 4 . 1 1 70 70 LEU H H 91 8.767 8.767 8.157 0.610 18332
1300 1 4 . 1 1 71 71 THR HA H 92 5.105 5.105 4.370 0.735 18332
1301 1 4 . 1 1 71 71 THR H H 92 9.034 9.034 7.947 1.087 18332
1302 1 4 . 1 1 72 72 VAL HA H 93 4.532 4.532 4.966 -0.434 18332
1303 1 4 . 1 1 72 72 VAL CA C 93 61.333 61.333 58.933 2.400 18332
1304 1 4 . 1 1 72 72 VAL CB C 93 33.826 33.826 35.033 -1.207 18332
1305 1 4 . 1 1 73 73 ARG N N 94 126.565 126.565 126.823 -0.258 18332
1306 1 4 . 1 1 73 73 ARG HA H 94 4.900 4.900 4.460 0.441 18332
1307 1 4 . 1 1 73 73 ARG CA C 94 55.931 55.931 54.881 1.050 18332
1308 1 4 . 1 1 73 73 ARG CB C 94 31.104 31.104 28.892 2.212 18332
1309 1 4 . 1 1 73 73 ARG H H 94 8.833 8.833 8.692 0.141 18332
1310 1 4 . 1 1 74 74 GLY N N 95 112.938 112.938 111.584 1.354 18332
1311 1 4 . 1 1 74 74 GLY CA C 95 44.454 44.454 44.515 -0.061 18332
1312 1 4 . 1 1 74 74 GLY H H 95 8.562 8.562 8.000 0.562 18332
1313 1 4 . 1 1 75 75 LYS N N 96 119.229 119.229 122.483 -3.254 18332
1314 1 4 . 1 1 75 75 LYS HA H 96 4.243 4.243 4.244 -0.001 18332
1315 1 4 . 1 1 75 75 LYS CA C 96 59.295 59.295 57.579 1.716 18332
1316 1 4 . 1 1 75 75 LYS CB C 96 32.597 32.597 32.750 -0.153 18332
1317 1 4 . 1 1 75 75 LYS H H 96 8.074 8.074 8.454 -0.380 18332
1318 1 4 . 1 1 76 76 SER N N 97 111.880 111.880 112.592 -0.712 18332
1319 1 4 . 1 1 76 76 SER HA H 97 4.625 4.625 4.469 0.156 18332
1320 1 4 . 1 1 76 76 SER CA C 97 58.593 58.593 57.201 1.392 18332
1321 1 4 . 1 1 76 76 SER CB C 97 64.106 64.106 63.209 0.897 18332
1322 1 4 . 1 1 76 76 SER H H 97 8.828 8.828 7.926 0.902 18332
1323 1 4 . 1 1 77 77 ALA N N 98 122.995 122.995 124.265 -1.270 18332
1324 1 4 . 1 1 77 77 ALA HA H 98 4.121 4.121 4.496 -0.375 18332
1325 1 4 . 1 1 77 77 ALA CA C 98 51.218 51.218 51.440 -0.222 18332
1326 1 4 . 1 1 77 77 ALA CB C 98 21.866 21.866 20.251 1.615 18332
1327 1 4 . 1 1 77 77 ALA H H 98 7.341 7.341 7.036 0.305 18332
1328 1 4 . 1 1 78 78 ASP N N 99 115.649 115.649 121.514 -5.865 18332
1329 1 4 . 1 1 78 78 ASP HA H 99 5.435 5.435 4.899 0.536 18332
1330 1 4 . 1 1 78 78 ASP CA C 99 52.144 52.144 53.577 -1.433 18332
1331 1 4 . 1 1 78 78 ASP CB C 99 43.392 43.392 43.120 0.272 18332
1332 1 4 . 1 1 78 78 ASP H H 99 8.206 8.206 8.350 -0.144 18332
1333 1 4 . 1 1 79 79 ILE N N 100 120.032 120.032 117.171 2.861 18332
1334 1 4 . 1 1 79 79 ILE HA H 100 4.177 4.177 4.404 -0.227 18332
1335 1 4 . 1 1 79 79 ILE CA C 100 60.560 60.560 58.917 1.643 18332
1336 1 4 . 1 1 79 79 ILE CB C 100 41.095 41.095 39.797 1.298 18332
1337 1 4 . 1 1 79 79 ILE H H 100 9.039 9.039 8.227 0.812 18332
1338 1 4 . 1 1 83 83 VAL HA H 104 4.779 4.779 4.352 0.427 18332
1339 1 4 . 1 1 83 83 VAL CA C 104 61.192 61.192 63.098 -1.906 18332
1340 1 4 . 1 1 83 83 VAL CB C 104 31.896 31.896 32.298 -0.402 18332
1341 1 4 . 1 1 84 84 SER N N 105 124.376 124.376 124.956 -0.580 18332
1342 1 4 . 1 1 84 84 SER HA H 105 5.393 5.393 5.147 0.246 18332
1343 1 4 . 1 1 84 84 SER CA C 105 56.419 56.419 57.751 -1.332 18332
1344 1 4 . 1 1 84 84 SER CB C 105 63.496 63.496 63.504 -0.008 18332
1345 1 4 . 1 1 84 84 SER H H 105 8.973 8.973 8.650 0.323 18332
1346 1 4 . 1 1 85 85 VAL N N 106 127.349 127.349 128.740 -1.391 18332
1347 1 4 . 1 1 85 85 VAL HA H 106 4.090 4.090 4.356 -0.266 18332
1348 1 4 . 1 1 85 85 VAL CA C 106 61.843 61.843 61.658 0.185 18332
1349 1 4 . 1 1 85 85 VAL CB C 106 34.995 34.995 32.230 2.765 18332
1350 1 4 . 1 1 85 85 VAL H H 106 9.254 9.254 9.180 0.074 18332
1351 1 4 . 1 1 86 86 ASP N N 107 126.522 126.522 128.987 -2.465 18332
1352 1 4 . 1 1 86 86 ASP HA H 107 5.149 5.149 5.026 0.123 18332
1353 1 4 . 1 1 86 86 ASP CA C 107 52.528 52.528 54.097 -1.569 18332
1354 1 4 . 1 1 86 86 ASP CB C 107 41.694 41.694 41.461 0.233 18332
1355 1 4 . 1 1 86 86 ASP H H 107 8.877 8.877 8.503 0.374 18332
1356 1 4 . 1 1 87 87 CYS N N 108 120.863 120.863 125.905 -5.042 18332
1357 1 4 . 1 1 87 87 CYS HA H 108 4.828 4.828 4.329 0.499 18332
1358 1 4 . 1 1 87 87 CYS CA C 108 57.070 57.070 61.183 -4.113 18332
1359 1 4 . 1 1 87 87 CYS CB C 108 40.994 40.994 27.695 13.299 18332
1360 1 4 . 1 1 87 87 CYS H H 108 8.989 8.989 9.341 -0.352 18332
1361 1 4 . 1 1 88 88 LYS N N 109 118.800 118.800 120.289 -1.489 18332
1362 1 4 . 1 1 88 88 LYS HA H 109 4.384 4.384 4.171 0.213 18332
1363 1 4 . 1 1 88 88 LYS CA C 109 58.418 58.418 58.469 -0.051 18332
1364 1 4 . 1 1 88 88 LYS CB C 109 32.625 32.625 31.964 0.661 18332
1365 1 4 . 1 1 88 88 LYS H H 109 8.374 8.374 8.929 -0.555 18332
1366 1 4 . 1 1 89 89 ALA N N 110 119.495 119.495 119.350 0.145 18332
1367 1 4 . 1 1 89 89 ALA HA H 110 4.285 4.285 4.348 -0.063 18332
1368 1 4 . 1 1 89 89 ALA CA C 110 52.221 52.221 52.248 -0.027 18332
1369 1 4 . 1 1 89 89 ALA CB C 110 19.837 19.837 20.188 -0.351 18332
1370 1 4 . 1 1 89 89 ALA H H 110 7.777 7.777 7.762 0.015 18332
1371 1 4 . 1 1 90 90 GLY N N 111 107.111 107.111 106.066 1.045 18332
1372 1 4 . 1 1 90 90 GLY CA C 111 47.745 47.745 44.896 2.849 18332
1373 1 4 . 1 1 90 90 GLY H H 111 8.084 8.084 7.699 0.385 18332
1374 1 4 . 1 1 91 91 MET N N 112 118.682 118.682 118.322 0.360 18332
1375 1 4 . 1 1 91 91 MET HA H 112 5.426 5.426 4.603 0.823 18332
1376 1 4 . 1 1 91 91 MET CA C 112 53.755 53.755 54.133 -0.378 18332
1377 1 4 . 1 1 91 91 MET CB C 112 37.293 37.293 37.176 0.117 18332
1378 1 4 . 1 1 91 91 MET H H 112 7.731 7.731 7.832 -0.101 18332
1379 1 4 . 1 1 92 92 ALA N N 113 123.295 123.295 121.713 1.582 18332
1380 1 4 . 1 1 92 92 ALA HA H 113 5.297 5.297 5.353 -0.056 18332
1381 1 4 . 1 1 92 92 ALA CA C 113 50.306 50.306 51.572 -1.266 18332
1382 1 4 . 1 1 92 92 ALA CB C 113 23.342 23.342 21.415 1.927 18332
1383 1 4 . 1 1 92 92 ALA H H 113 9.225 9.225 8.433 0.792 18332
1384 1 4 . 1 1 93 93 GLU N N 114 120.553 120.553 124.758 -4.205 18332
1385 1 4 . 1 1 93 93 GLU HA H 114 5.348 5.348 4.710 0.638 18332
1386 1 4 . 1 1 93 93 GLU CA C 114 54.721 54.721 54.920 -0.200 18332
1387 1 4 . 1 1 93 93 GLU CB C 114 32.530 32.530 30.988 1.542 18332
1388 1 4 . 1 1 93 93 GLU H H 114 8.840 8.840 8.696 0.144 18332
1389 1 5 . 1 1 2 2 ASN CA C 23 53.576 53.576 52.754 0.822 18332
1390 1 5 . 1 1 2 2 ASN CB C 23 38.913 38.913 37.962 0.951 18332
1391 1 5 . 1 1 3 3 ASN N N 24 119.074 119.074 119.383 -0.309 18332
1392 1 5 . 1 1 3 3 ASN C C 24 175.201 175.201 174.756 0.445 18332
1393 1 5 . 1 1 3 3 ASN CA C 24 53.609 53.609 53.117 0.492 18332
1394 1 5 . 1 1 3 3 ASN CB C 24 38.885 38.885 39.353 -0.468 18332
1395 1 5 . 1 1 3 3 ASN H H 24 8.546 8.546 8.333 0.213 18332
1396 1 5 . 1 1 4 4 GLU N N 25 120.681 120.681 121.458 -0.777 18332
1397 1 5 . 1 1 4 4 GLU HA H 25 4.512 4.512 4.231 0.281 18332
1398 1 5 . 1 1 4 4 GLU C C 25 176.957 176.957 175.817 1.140 18332
1399 1 5 . 1 1 4 4 GLU CA C 25 57.107 57.107 57.175 -0.068 18332
1400 1 5 . 1 1 4 4 GLU CB C 25 30.502 30.502 29.412 1.091 18332
1401 1 5 . 1 1 4 4 GLU H H 25 8.431 8.431 8.125 0.306 18332
1402 1 5 . 1 1 5 5 THR N N 26 113.493 113.493 120.511 -7.018 18332
1403 1 5 . 1 1 5 5 THR HA H 26 4.332 4.332 4.605 -0.273 18332
1404 1 5 . 1 1 5 5 THR C C 26 174.268 174.268 173.460 0.808 18332
1405 1 5 . 1 1 5 5 THR CA C 26 61.970 61.970 62.643 -0.673 18332
1406 1 5 . 1 1 5 5 THR CB C 26 70.089 70.089 69.376 0.713 18332
1407 1 5 . 1 1 5 5 THR H H 26 8.198 8.198 8.293 -0.096 18332
1408 1 5 . 1 1 6 6 SER N N 27 117.653 117.653 123.378 -5.725 18332
1409 1 5 . 1 1 6 6 SER HA H 27 5.077 5.077 4.627 0.450 18332
1410 1 5 . 1 1 6 6 SER C C 27 174.087 174.087 174.402 -0.315 18332
1411 1 5 . 1 1 6 6 SER CA C 27 57.821 57.821 58.204 -0.383 18332
1412 1 5 . 1 1 6 6 SER CB C 27 64.827 64.827 63.696 1.131 18332
1413 1 5 . 1 1 6 6 SER H H 27 8.180 8.180 8.448 -0.268 18332
1414 1 5 . 1 1 8 8 SER HA H 29 5.455 5.455 4.627 0.828 18332
1415 1 5 . 1 1 8 8 SER C C 29 174.725 174.725 173.678 1.047 18332
1416 1 5 . 1 1 8 8 SER CA C 29 57.885 57.885 57.744 0.141 18332
1417 1 5 . 1 1 8 8 SER CB C 29 63.990 63.990 62.933 1.057 18332
1418 1 5 . 1 1 9 9 VAL N N 30 118.961 118.961 123.120 -4.159 18332
1419 1 5 . 1 1 9 9 VAL HA H 30 5.002 5.002 4.488 0.514 18332
1420 1 5 . 1 1 9 9 VAL C C 30 175.300 175.300 174.655 0.645 18332
1421 1 5 . 1 1 9 9 VAL CA C 30 58.828 58.828 61.817 -2.989 18332
1422 1 5 . 1 1 9 9 VAL CB C 30 36.058 36.058 33.359 2.699 18332
1423 1 5 . 1 1 9 9 VAL H H 30 9.435 9.435 8.323 1.112 18332
1424 1 5 . 1 1 10 10 THR N N 31 116.623 116.623 120.319 -3.696 18332
1425 1 5 . 1 1 10 10 THR HA H 31 4.726 4.726 4.539 0.187 18332
1426 1 5 . 1 1 10 10 THR C C 31 173.102 173.102 173.789 -0.687 18332
1427 1 5 . 1 1 10 10 THR CA C 31 63.291 63.291 61.553 1.738 18332
1428 1 5 . 1 1 10 10 THR CB C 31 69.490 69.490 69.198 0.291 18332
1429 1 5 . 1 1 10 10 THR H H 31 8.284 8.284 8.385 -0.101 18332
1430 1 5 . 1 1 11 11 PHE N N 32 129.214 129.214 123.052 6.162 18332
1431 1 5 . 1 1 11 11 PHE HA H 32 4.167 4.167 5.009 -0.842 18332
1432 1 5 . 1 1 11 11 PHE C C 32 172.082 172.082 172.721 -0.639 18332
1433 1 5 . 1 1 11 11 PHE CA C 32 55.403 55.403 54.500 0.903 18332
1434 1 5 . 1 1 11 11 PHE CB C 32 39.318 39.318 39.059 0.259 18332
1435 1 5 . 1 1 11 11 PHE H H 32 8.029 8.029 8.082 -0.053 18332
1436 1 5 . 1 1 12 12 PRO HA H 33 4.130 4.130 4.783 -0.653 18332
1437 1 5 . 1 1 12 12 PRO CA C 33 62.885 62.885 62.528 0.357 18332
1438 1 5 . 1 1 12 12 PRO CB C 33 31.435 31.435 32.157 -0.722 18332
1439 1 5 . 1 1 13 13 LYS N N 34 120.291 120.291 122.186 -1.895 18332
1440 1 5 . 1 1 13 13 LYS HA H 34 4.172 4.172 4.378 -0.206 18332
1441 1 5 . 1 1 13 13 LYS CA C 34 58.877 58.877 57.992 0.885 18332
1442 1 5 . 1 1 13 13 LYS CB C 34 31.852 31.852 33.681 -1.829 18332
1443 1 5 . 1 1 13 13 LYS H H 34 7.980 7.980 8.625 -0.645 18332
1444 1 5 . 1 1 14 14 CYS N N 35 116.206 116.206 116.794 -0.588 18332
1445 1 5 . 1 1 14 14 CYS HA H 35 5.081 5.081 4.937 0.144 18332
1446 1 5 . 1 1 14 14 CYS CA C 35 54.045 54.045 56.743 -2.698 18332
1447 1 5 . 1 1 14 14 CYS CB C 35 40.904 40.904 28.153 12.751 18332
1448 1 5 . 1 1 14 14 CYS H H 35 8.056 8.056 7.574 0.482 18332
1449 1 5 . 1 1 15 15 GLU N N 36 122.110 122.110 123.636 -1.526 18332
1450 1 5 . 1 1 15 15 GLU HA H 36 4.017 4.017 4.117 -0.100 18332
1451 1 5 . 1 1 15 15 GLU CA C 36 59.377 59.377 58.584 0.793 18332
1452 1 5 . 1 1 15 15 GLU CB C 36 29.852 29.852 29.896 -0.044 18332
1453 1 5 . 1 1 15 15 GLU H H 36 8.949 8.949 8.624 0.325 18332
1454 1 5 . 1 1 16 16 ASP N N 37 115.460 115.460 119.267 -3.807 18332
1455 1 5 . 1 1 16 16 ASP HA H 37 4.586 4.586 4.686 -0.100 18332
1456 1 5 . 1 1 16 16 ASP CA C 37 54.947 54.947 53.943 1.004 18332
1457 1 5 . 1 1 16 16 ASP CB C 37 40.051 40.051 41.519 -1.468 18332
1458 1 5 . 1 1 16 16 ASP H H 37 8.947 8.947 8.091 0.856 18332
1459 1 5 . 1 1 17 17 LEU N N 38 119.514 119.514 122.095 -2.581 18332
1460 1 5 . 1 1 17 17 LEU HA H 38 4.550 4.550 4.265 0.285 18332
1461 1 5 . 1 1 17 17 LEU CA C 38 54.800 54.800 55.472 -0.672 18332
1462 1 5 . 1 1 17 17 LEU CB C 38 43.291 43.291 42.542 0.749 18332
1463 1 5 . 1 1 17 17 LEU H H 38 7.468 7.468 7.531 -0.063 18332
1464 1 5 . 1 1 18 18 ASP N N 39 118.819 118.819 120.548 -1.729 18332
1465 1 5 . 1 1 18 18 ASP HA H 39 4.831 4.831 4.797 0.034 18332
1466 1 5 . 1 1 18 18 ASP CA C 39 51.261 51.261 53.283 -2.022 18332
1467 1 5 . 1 1 18 18 ASP CB C 39 41.863 41.863 42.973 -1.110 18332
1468 1 5 . 1 1 18 18 ASP H H 39 7.645 7.645 8.018 -0.373 18332
1469 1 5 . 1 1 19 19 ALA N N 40 120.945 120.945 122.664 -1.719 18332
1470 1 5 . 1 1 19 19 ALA HA H 40 3.202 3.202 3.245 -0.043 18332
1471 1 5 . 1 1 19 19 ALA CA C 40 55.690 55.690 54.969 0.720 18332
1472 1 5 . 1 1 19 19 ALA CB C 40 18.317 18.317 18.392 -0.075 18332
1473 1 5 . 1 1 19 19 ALA H H 40 8.457 8.457 8.476 -0.019 18332
1474 1 5 . 1 1 20 20 ALA N N 41 117.582 117.582 120.462 -2.880 18332
1475 1 5 . 1 1 20 20 ALA HA H 41 3.921 3.921 4.086 -0.165 18332
1476 1 5 . 1 1 20 20 ALA CA C 41 55.042 55.042 54.987 0.055 18332
1477 1 5 . 1 1 20 20 ALA CB C 41 17.773 17.773 17.978 -0.205 18332
1478 1 5 . 1 1 20 20 ALA H H 41 7.944 7.944 8.368 -0.424 18332
1479 1 5 . 1 1 21 21 GLY N N 42 109.614 109.614 107.009 2.605 18332
1480 1 5 . 1 1 21 21 GLY CA C 42 47.069 47.069 46.560 0.509 18332
1481 1 5 . 1 1 21 21 GLY H H 42 8.278 8.278 7.535 0.743 18332
1482 1 5 . 1 1 22 22 ILE N N 43 126.734 126.734 123.762 2.972 18332
1483 1 5 . 1 1 22 22 ILE HA H 43 3.731 3.731 3.468 0.263 18332
1484 1 5 . 1 1 22 22 ILE CA C 43 61.614 61.614 63.568 -1.954 18332
1485 1 5 . 1 1 22 22 ILE CB C 43 35.840 35.840 36.895 -1.055 18332
1486 1 5 . 1 1 22 22 ILE H H 43 8.631 8.631 8.182 0.449 18332
1487 1 5 . 1 1 23 23 ALA N N 44 123.871 123.871 121.835 2.036 18332
1488 1 5 . 1 1 23 23 ALA HA H 44 3.676 3.676 3.798 -0.122 18332
1489 1 5 . 1 1 23 23 ALA CA C 44 55.788 55.788 55.453 0.335 18332
1490 1 5 . 1 1 23 23 ALA CB C 44 18.707 18.707 17.860 0.847 18332
1491 1 5 . 1 1 23 23 ALA H H 44 8.347 8.347 8.017 0.330 18332
1492 1 5 . 1 1 24 24 ALA N N 45 117.860 117.860 120.083 -2.223 18332
1493 1 5 . 1 1 24 24 ALA HA H 45 4.047 4.047 4.036 0.011 18332
1494 1 5 . 1 1 24 24 ALA CA C 45 55.068 55.068 54.905 0.163 18332
1495 1 5 . 1 1 24 24 ALA CB C 45 18.177 18.177 18.097 0.080 18332
1496 1 5 . 1 1 24 24 ALA H H 45 7.593 7.593 7.617 -0.024 18332
1497 1 5 . 1 1 25 25 SER N N 46 115.177 115.177 114.705 0.472 18332
1498 1 5 . 1 1 25 25 SER HA H 46 4.103 4.103 4.198 -0.095 18332
1499 1 5 . 1 1 25 25 SER CA C 46 62.044 62.044 61.553 0.491 18332
1500 1 5 . 1 1 25 25 SER CB C 46 63.061 63.061 63.217 -0.156 18332
1501 1 5 . 1 1 25 25 SER H H 46 8.086 8.086 7.903 0.183 18332
1502 1 5 . 1 1 26 26 VAL N N 47 123.762 123.762 121.736 2.026 18332
1503 1 5 . 1 1 26 26 VAL HA H 47 3.831 3.831 3.566 0.265 18332
1504 1 5 . 1 1 26 26 VAL CA C 47 67.401 67.401 66.283 1.118 18332
1505 1 5 . 1 1 26 26 VAL CB C 47 31.775 31.775 31.064 0.711 18332
1506 1 5 . 1 1 26 26 VAL H H 47 8.733 8.733 8.568 0.165 18332
1507 1 5 . 1 1 27 27 LYS N N 48 118.412 118.412 120.213 -1.801 18332
1508 1 5 . 1 1 27 27 LYS HA H 48 3.729 3.729 4.072 -0.343 18332
1509 1 5 . 1 1 27 27 LYS CA C 48 61.242 61.242 60.317 0.925 18332
1510 1 5 . 1 1 27 27 LYS CB C 48 32.696 32.696 32.123 0.573 18332
1511 1 5 . 1 1 27 27 LYS H H 48 7.931 7.931 8.353 -0.422 18332
1512 1 5 . 1 1 28 28 ARG N N 49 116.894 116.894 118.681 -1.787 18332
1513 1 5 . 1 1 28 28 ARG HA H 49 4.123 4.123 4.052 0.071 18332
1514 1 5 . 1 1 28 28 ARG CA C 49 59.414 59.414 58.695 0.719 18332
1515 1 5 . 1 1 28 28 ARG CB C 49 30.338 30.338 29.479 0.859 18332
1516 1 5 . 1 1 28 28 ARG H H 49 7.941 7.941 8.046 -0.105 18332
1517 1 5 . 1 1 29 29 ASP N N 50 119.598 119.598 120.338 -0.740 18332
1518 1 5 . 1 1 29 29 ASP HA H 50 4.161 4.161 4.311 -0.150 18332
1519 1 5 . 1 1 29 29 ASP CA C 50 58.581 58.581 57.467 1.114 18332
1520 1 5 . 1 1 29 29 ASP CB C 50 43.769 43.769 40.366 3.403 18332
1521 1 5 . 1 1 29 29 ASP H H 50 8.250 8.250 8.068 0.182 18332
1522 1 5 . 1 1 30 30 TYR N N 51 119.757 119.757 117.902 1.855 18332
1523 1 5 . 1 1 30 30 TYR CA C 51 62.615 62.615 61.361 1.254 18332
1524 1 5 . 1 1 30 30 TYR CB C 51 38.668 38.668 38.020 0.648 18332
1525 1 5 . 1 1 30 30 TYR H H 51 8.680 8.680 7.413 1.267 18332
1526 1 5 . 1 1 31 31 GLN N N 52 115.572 115.572 117.100 -1.528 18332
1527 1 5 . 1 1 31 31 GLN HA H 52 4.126 4.126 4.016 0.110 18332
1528 1 5 . 1 1 31 31 GLN C C 52 178.235 178.235 177.639 0.596 18332
1529 1 5 . 1 1 31 31 GLN CA C 52 59.256 59.256 58.242 1.014 18332
1530 1 5 . 1 1 31 31 GLN H H 52 8.287 8.287 8.095 0.192 18332
1531 1 5 . 1 1 32 32 GLN N N 53 114.416 114.416 115.853 -1.437 18332
1532 1 5 . 1 1 32 32 GLN C C 53 177.224 177.224 177.420 -0.196 18332
1533 1 5 . 1 1 32 32 GLN CA C 53 57.673 57.673 57.189 0.484 18332
1534 1 5 . 1 1 32 32 GLN CB C 53 29.425 29.425 28.699 0.726 18332
1535 1 5 . 1 1 32 32 GLN H H 53 8.848 8.848 7.933 0.915 18332
1536 1 5 . 1 1 45 45 VAL HA H 66 4.239 4.239 3.856 0.383 18332
1537 1 5 . 1 1 45 45 VAL CA C 66 63.712 63.712 63.955 -0.243 18332
1538 1 5 . 1 1 45 45 VAL CB C 66 32.252 32.252 31.882 0.370 18332
1539 1 5 . 1 1 46 46 GLY N N 67 108.542 108.542 106.216 2.326 18332
1540 1 5 . 1 1 46 46 GLY CA C 67 45.910 45.910 46.431 -0.521 18332
1541 1 5 . 1 1 46 46 GLY H H 67 8.027 8.027 8.233 -0.206 18332
1542 1 5 . 1 1 50 50 PRO HA H 71 4.129 4.129 4.485 -0.356 18332
1543 1 5 . 1 1 50 50 PRO C C 71 176.009 176.009 176.115 -0.106 18332
1544 1 5 . 1 1 50 50 PRO CA C 71 62.889 62.889 62.508 0.381 18332
1545 1 5 . 1 1 50 50 PRO CB C 71 32.769 32.769 32.503 0.266 18332
1546 1 5 . 1 1 51 51 VAL N N 72 123.129 123.129 124.216 -1.087 18332
1547 1 5 . 1 1 51 51 VAL HA H 72 4.166 4.166 4.115 0.051 18332
1548 1 5 . 1 1 51 51 VAL C C 72 174.364 174.364 175.065 -0.701 18332
1549 1 5 . 1 1 51 51 VAL CA C 72 62.794 62.794 61.984 0.809 18332
1550 1 5 . 1 1 51 51 VAL CB C 72 32.947 32.947 30.708 2.239 18332
1551 1 5 . 1 1 51 51 VAL H H 72 8.537 8.537 8.620 -0.083 18332
1552 1 5 . 1 1 52 52 ALA N N 73 128.689 128.689 132.171 -3.482 18332
1553 1 5 . 1 1 52 52 ALA HA H 73 5.437 5.437 5.429 0.008 18332
1554 1 5 . 1 1 52 52 ALA C C 73 176.104 176.104 176.919 -0.815 18332
1555 1 5 . 1 1 52 52 ALA CA C 73 50.307 50.307 50.885 -0.578 18332
1556 1 5 . 1 1 52 52 ALA CB C 73 21.672 21.672 20.279 1.393 18332
1557 1 5 . 1 1 52 52 ALA H H 73 8.272 8.272 8.396 -0.124 18332
1558 1 5 . 1 1 53 53 TRP N N 74 122.550 122.550 123.080 -0.530 18332
1559 1 5 . 1 1 53 53 TRP HA H 74 4.890 4.890 5.100 -0.210 18332
1560 1 5 . 1 1 53 53 TRP C C 74 174.515 174.515 173.814 0.701 18332
1561 1 5 . 1 1 53 53 TRP CA C 74 56.883 56.883 55.214 1.669 18332
1562 1 5 . 1 1 53 53 TRP CB C 74 32.120 32.120 31.136 0.984 18332
1563 1 5 . 1 1 53 53 TRP H H 74 9.301 9.301 9.166 0.135 18332
1564 1 5 . 1 1 54 54 VAL HA H 75 4.424 4.424 4.540 -0.116 18332
1565 1 5 . 1 1 54 54 VAL C C 75 174.906 174.906 175.246 -0.340 18332
1566 1 5 . 1 1 54 54 VAL CA C 75 60.326 60.326 60.041 0.285 18332
1567 1 5 . 1 1 54 54 VAL CB C 75 34.985 34.985 34.009 0.976 18332
1568 1 5 . 1 1 55 55 SER N N 76 121.442 121.442 124.204 -2.762 18332
1569 1 5 . 1 1 55 55 SER HA H 76 4.427 4.427 4.760 -0.333 18332
1570 1 5 . 1 1 55 55 SER CA C 76 55.979 55.979 57.513 -1.534 18332
1571 1 5 . 1 1 55 55 SER CB C 76 62.223 62.223 63.860 -1.637 18332
1572 1 5 . 1 1 55 55 SER H H 76 7.855 7.855 8.597 -0.742 18332
1573 1 5 . 1 1 56 56 LEU N N 77 129.932 129.932 129.111 0.821 18332
1574 1 5 . 1 1 56 56 LEU HA H 77 3.829 3.829 4.088 -0.259 18332
1575 1 5 . 1 1 56 56 LEU CA C 77 58.257 58.257 58.597 -0.340 18332
1576 1 5 . 1 1 56 56 LEU CB C 77 41.844 41.844 41.431 0.413 18332
1577 1 5 . 1 1 56 56 LEU H H 77 8.256 8.256 9.161 -0.905 18332
1578 1 5 . 1 1 57 57 GLN N N 78 115.179 115.179 117.390 -2.211 18332
1579 1 5 . 1 1 57 57 GLN HA H 78 4.186 4.186 4.231 -0.045 18332
1580 1 5 . 1 1 57 57 GLN CA C 78 57.730 57.730 57.891 -0.161 18332
1581 1 5 . 1 1 57 57 GLN CB C 78 28.156 28.156 28.005 0.151 18332
1582 1 5 . 1 1 57 57 GLN H H 78 8.614 8.614 8.618 -0.004 18332
1583 1 5 . 1 1 58 58 ASP N N 79 116.803 116.803 117.290 -0.487 18332
1584 1 5 . 1 1 58 58 ASP HA H 79 4.901 4.901 4.785 0.116 18332
1585 1 5 . 1 1 58 58 ASP CA C 79 54.261 54.261 52.972 1.289 18332
1586 1 5 . 1 1 58 58 ASP CB C 79 43.008 43.008 42.036 0.972 18332
1587 1 5 . 1 1 58 58 ASP H H 79 7.486 7.486 7.689 -0.203 18332
1588 1 5 . 1 1 59 59 ILE N N 80 121.887 121.887 121.744 0.143 18332
1589 1 5 . 1 1 59 59 ILE HA H 80 4.344 4.344 3.958 0.386 18332
1590 1 5 . 1 1 59 59 ILE CA C 80 63.397 63.397 61.698 1.699 18332
1591 1 5 . 1 1 59 59 ILE CB C 80 38.796 38.796 36.114 2.682 18332
1592 1 5 . 1 1 59 59 ILE H H 80 7.278 7.278 7.617 -0.339 18332
1593 1 5 . 1 1 60 60 GLN N N 81 126.140 126.140 126.292 -0.152 18332
1594 1 5 . 1 1 60 60 GLN HA H 81 4.983 4.983 4.839 0.144 18332
1595 1 5 . 1 1 60 60 GLN CA C 81 54.165 54.165 54.203 -0.037 18332
1596 1 5 . 1 1 60 60 GLN CB C 81 32.639 32.639 32.991 -0.352 18332
1597 1 5 . 1 1 60 60 GLN H H 81 8.318 8.318 8.350 -0.032 18332
1598 1 5 . 1 1 61 61 GLY N N 82 111.215 111.215 107.885 3.330 18332
1599 1 5 . 1 1 61 61 GLY CA C 82 45.844 45.844 44.919 0.925 18332
1600 1 5 . 1 1 61 61 GLY H H 82 8.484 8.484 8.307 0.177 18332
1601 1 5 . 1 1 62 62 LYS N N 83 119.467 119.467 120.078 -0.611 18332
1602 1 5 . 1 1 62 62 LYS HA H 83 3.986 3.986 4.391 -0.405 18332
1603 1 5 . 1 1 62 62 LYS CA C 83 56.248 56.248 54.590 1.658 18332
1604 1 5 . 1 1 62 62 LYS CB C 83 34.501 34.501 34.748 -0.247 18332
1605 1 5 . 1 1 62 62 LYS H H 83 7.669 7.669 8.028 -0.359 18332
1606 1 5 . 1 1 63 63 ASP N N 84 124.240 124.240 124.173 0.067 18332
1607 1 5 . 1 1 63 63 ASP HA H 84 4.181 4.181 4.132 0.049 18332
1608 1 5 . 1 1 63 63 ASP CA C 84 56.029 56.029 56.948 -0.919 18332
1609 1 5 . 1 1 63 63 ASP CB C 84 39.258 39.258 40.494 -1.236 18332
1610 1 5 . 1 1 63 63 ASP H H 84 9.052 9.052 8.962 0.090 18332
1611 1 5 . 1 1 64 64 ASP N N 85 110.367 110.367 114.211 -3.844 18332
1612 1 5 . 1 1 64 64 ASP HA H 85 4.240 4.240 4.757 -0.517 18332
1613 1 5 . 1 1 64 64 ASP CA C 85 56.115 56.115 53.882 2.233 18332
1614 1 5 . 1 1 64 64 ASP CB C 85 40.468 40.468 42.611 -2.143 18332
1615 1 5 . 1 1 64 64 ASP H H 85 8.261 8.261 8.270 -0.009 18332
1616 1 5 . 1 1 65 65 LYS N N 86 119.587 119.587 121.204 -1.617 18332
1617 1 5 . 1 1 65 65 LYS HA H 86 5.352 5.352 5.458 -0.106 18332
1618 1 5 . 1 1 65 65 LYS CA C 86 55.218 55.218 55.212 0.006 18332
1619 1 5 . 1 1 65 65 LYS CB C 86 34.418 34.418 35.092 -0.674 18332
1620 1 5 . 1 1 65 65 LYS H H 86 7.460 7.460 7.628 -0.168 18332
1621 1 5 . 1 1 66 66 TRP N N 87 121.490 121.490 123.591 -2.101 18332
1622 1 5 . 1 1 66 66 TRP HA H 87 5.307 5.307 5.196 0.111 18332
1623 1 5 . 1 1 66 66 TRP C C 87 175.839 175.839 175.184 0.655 18332
1624 1 5 . 1 1 66 66 TRP CA C 87 55.834 55.834 56.189 -0.355 18332
1625 1 5 . 1 1 66 66 TRP CB C 87 34.217 34.217 33.814 0.403 18332
1626 1 5 . 1 1 66 66 TRP H H 87 8.903 8.903 9.263 -0.360 18332
1627 1 5 . 1 1 67 67 SER N N 88 118.488 118.488 115.897 2.591 18332
1628 1 5 . 1 1 67 67 SER HA H 88 5.236 5.236 5.724 -0.488 18332
1629 1 5 . 1 1 67 67 SER CA C 88 57.197 57.197 55.980 1.217 18332
1630 1 5 . 1 1 67 67 SER CB C 88 63.945 63.945 64.788 -0.843 18332
1631 1 5 . 1 1 67 67 SER H H 88 9.382 9.382 9.514 -0.132 18332
1632 1 5 . 1 1 68 68 VAL N N 89 127.693 127.693 127.317 0.376 18332
1633 1 5 . 1 1 68 68 VAL HA H 89 4.620 4.620 4.522 0.098 18332
1634 1 5 . 1 1 68 68 VAL CA C 89 59.246 59.246 58.715 0.531 18332
1635 1 5 . 1 1 68 68 VAL CB C 89 35.649 35.649 32.393 3.256 18332
1636 1 5 . 1 1 68 68 VAL H H 89 9.360 9.360 8.872 0.488 18332
1637 1 5 . 1 1 69 69 PRO HA H 90 4.077 4.077 4.406 -0.329 18332
1638 1 5 . 1 1 69 69 PRO C C 90 174.726 174.726 175.404 -0.678 18332
1639 1 5 . 1 1 69 69 PRO CA C 90 61.967 61.967 62.586 -0.619 18332
1640 1 5 . 1 1 69 69 PRO CB C 90 31.095 31.095 31.721 -0.626 18332
1641 1 5 . 1 1 70 70 LEU N N 91 126.522 126.522 125.927 0.595 18332
1642 1 5 . 1 1 70 70 LEU HA H 91 4.818 4.818 4.343 0.475 18332
1643 1 5 . 1 1 70 70 LEU C C 91 173.906 173.906 176.258 -2.352 18332
1644 1 5 . 1 1 70 70 LEU CA C 91 53.978 53.978 54.552 -0.574 18332
1645 1 5 . 1 1 70 70 LEU CB C 91 46.386 46.386 41.889 4.497 18332
1646 1 5 . 1 1 70 70 LEU H H 91 8.767 8.767 8.370 0.397 18332
1647 1 5 . 1 1 71 71 THR HA H 92 5.105 5.105 4.371 0.734 18332
1648 1 5 . 1 1 71 71 THR H H 92 9.034 9.034 8.178 0.856 18332
1649 1 5 . 1 1 72 72 VAL HA H 93 4.532 4.532 4.964 -0.432 18332
1650 1 5 . 1 1 72 72 VAL CA C 93 61.333 61.333 58.895 2.438 18332
1651 1 5 . 1 1 72 72 VAL CB C 93 33.826 33.826 34.167 -0.341 18332
1652 1 5 . 1 1 73 73 ARG N N 94 126.565 126.565 128.924 -2.359 18332
1653 1 5 . 1 1 73 73 ARG HA H 94 4.900 4.900 4.459 0.441 18332
1654 1 5 . 1 1 73 73 ARG CA C 94 55.931 55.931 56.609 -0.678 18332
1655 1 5 . 1 1 73 73 ARG CB C 94 31.104 31.104 29.686 1.418 18332
1656 1 5 . 1 1 73 73 ARG H H 94 8.833 8.833 8.272 0.561 18332
1657 1 5 . 1 1 74 74 GLY N N 95 112.938 112.938 111.847 1.091 18332
1658 1 5 . 1 1 74 74 GLY CA C 95 44.454 44.454 45.253 -0.799 18332
1659 1 5 . 1 1 74 74 GLY H H 95 8.562 8.562 7.885 0.677 18332
1660 1 5 . 1 1 75 75 LYS N N 96 119.229 119.229 119.119 0.110 18332
1661 1 5 . 1 1 75 75 LYS HA H 96 4.243 4.243 4.627 -0.384 18332
1662 1 5 . 1 1 75 75 LYS CA C 96 59.295 59.295 57.927 1.368 18332
1663 1 5 . 1 1 75 75 LYS CB C 96 32.597 32.597 33.069 -0.472 18332
1664 1 5 . 1 1 75 75 LYS H H 96 8.074 8.074 8.405 -0.331 18332
1665 1 5 . 1 1 76 76 SER N N 97 111.880 111.880 115.232 -3.352 18332
1666 1 5 . 1 1 76 76 SER HA H 97 4.625 4.625 4.558 0.067 18332
1667 1 5 . 1 1 76 76 SER CA C 97 58.593 58.593 57.989 0.604 18332
1668 1 5 . 1 1 76 76 SER CB C 97 64.106 64.106 64.196 -0.090 18332
1669 1 5 . 1 1 76 76 SER H H 97 8.828 8.828 8.066 0.762 18332
1670 1 5 . 1 1 77 77 ALA N N 98 122.995 122.995 125.025 -2.030 18332
1671 1 5 . 1 1 77 77 ALA HA H 98 4.121 4.121 4.481 -0.360 18332
1672 1 5 . 1 1 77 77 ALA CA C 98 51.218 51.218 52.142 -0.924 18332
1673 1 5 . 1 1 77 77 ALA CB C 98 21.866 21.866 19.498 2.368 18332
1674 1 5 . 1 1 77 77 ALA H H 98 7.341 7.341 7.496 -0.155 18332
1675 1 5 . 1 1 78 78 ASP N N 99 115.649 115.649 121.402 -5.753 18332
1676 1 5 . 1 1 78 78 ASP HA H 99 5.435 5.435 4.715 0.720 18332
1677 1 5 . 1 1 78 78 ASP CA C 99 52.144 52.144 53.480 -1.336 18332
1678 1 5 . 1 1 78 78 ASP CB C 99 43.392 43.392 43.178 0.214 18332
1679 1 5 . 1 1 78 78 ASP H H 99 8.206 8.206 8.262 -0.056 18332
1680 1 5 . 1 1 79 79 ILE N N 100 120.032 120.032 119.647 0.385 18332
1681 1 5 . 1 1 79 79 ILE HA H 100 4.177 4.177 4.369 -0.192 18332
1682 1 5 . 1 1 79 79 ILE CA C 100 60.560 60.560 59.943 0.617 18332
1683 1 5 . 1 1 79 79 ILE CB C 100 41.095 41.095 39.400 1.695 18332
1684 1 5 . 1 1 79 79 ILE H H 100 9.039 9.039 8.136 0.903 18332
1685 1 5 . 1 1 83 83 VAL HA H 104 4.779 4.779 4.900 -0.121 18332
1686 1 5 . 1 1 83 83 VAL CA C 104 61.192 61.192 61.144 0.048 18332
1687 1 5 . 1 1 83 83 VAL CB C 104 31.896 31.896 32.604 -0.708 18332
1688 1 5 . 1 1 84 84 SER N N 105 124.376 124.376 121.851 2.525 18332
1689 1 5 . 1 1 84 84 SER HA H 105 5.393 5.393 5.405 -0.012 18332
1690 1 5 . 1 1 84 84 SER CA C 105 56.419 56.419 56.585 -0.166 18332
1691 1 5 . 1 1 84 84 SER CB C 105 63.496 63.496 64.094 -0.598 18332
1692 1 5 . 1 1 84 84 SER H H 105 8.973 8.973 8.633 0.340 18332
1693 1 5 . 1 1 85 85 VAL N N 106 127.349 127.349 128.520 -1.171 18332
1694 1 5 . 1 1 85 85 VAL HA H 106 4.090 4.090 4.628 -0.538 18332
1695 1 5 . 1 1 85 85 VAL CA C 106 61.843 61.843 61.172 0.671 18332
1696 1 5 . 1 1 85 85 VAL CB C 106 34.995 34.995 33.354 1.641 18332
1697 1 5 . 1 1 85 85 VAL H H 106 9.254 9.254 9.403 -0.149 18332
1698 1 5 . 1 1 86 86 ASP N N 107 126.522 126.522 127.890 -1.368 18332
1699 1 5 . 1 1 86 86 ASP HA H 107 5.149 5.149 5.243 -0.094 18332
1700 1 5 . 1 1 86 86 ASP CA C 107 52.528 52.528 53.265 -0.737 18332
1701 1 5 . 1 1 86 86 ASP CB C 107 41.694 41.694 43.101 -1.407 18332
1702 1 5 . 1 1 86 86 ASP H H 107 8.877 8.877 8.878 -0.001 18332
1703 1 5 . 1 1 87 87 CYS N N 108 120.863 120.863 125.686 -4.823 18332
1704 1 5 . 1 1 87 87 CYS HA H 108 4.828 4.828 4.382 0.446 18332
1705 1 5 . 1 1 87 87 CYS CA C 108 57.070 57.070 60.741 -3.671 18332
1706 1 5 . 1 1 87 87 CYS CB C 108 40.994 40.994 28.030 12.963 18332
1707 1 5 . 1 1 87 87 CYS H H 108 8.989 8.989 9.393 -0.404 18332
1708 1 5 . 1 1 88 88 LYS N N 109 118.800 118.800 120.164 -1.364 18332
1709 1 5 . 1 1 88 88 LYS HA H 109 4.384 4.384 4.171 0.213 18332
1710 1 5 . 1 1 88 88 LYS CA C 109 58.418 58.418 58.576 -0.158 18332
1711 1 5 . 1 1 88 88 LYS CB C 109 32.625 32.625 31.960 0.665 18332
1712 1 5 . 1 1 88 88 LYS H H 109 8.374 8.374 8.117 0.257 18332
1713 1 5 . 1 1 89 89 ALA N N 110 119.495 119.495 119.734 -0.239 18332
1714 1 5 . 1 1 89 89 ALA HA H 110 4.285 4.285 4.319 -0.034 18332
1715 1 5 . 1 1 89 89 ALA CA C 110 52.221 52.221 52.249 -0.028 18332
1716 1 5 . 1 1 89 89 ALA CB C 110 19.837 19.837 20.013 -0.176 18332
1717 1 5 . 1 1 89 89 ALA H H 110 7.777 7.777 7.797 -0.020 18332
1718 1 5 . 1 1 90 90 GLY N N 111 107.111 107.111 105.630 1.481 18332
1719 1 5 . 1 1 90 90 GLY CA C 111 47.745 47.745 45.093 2.652 18332
1720 1 5 . 1 1 90 90 GLY H H 111 8.084 8.084 7.369 0.715 18332
1721 1 5 . 1 1 91 91 MET N N 112 118.682 118.682 117.887 0.795 18332
1722 1 5 . 1 1 91 91 MET HA H 112 5.426 5.426 4.627 0.799 18332
1723 1 5 . 1 1 91 91 MET CA C 112 53.755 53.755 54.171 -0.416 18332
1724 1 5 . 1 1 91 91 MET CB C 112 37.293 37.293 37.273 0.020 18332
1725 1 5 . 1 1 91 91 MET H H 112 7.731 7.731 7.868 -0.137 18332
1726 1 5 . 1 1 92 92 ALA N N 113 123.295 123.295 121.433 1.862 18332
1727 1 5 . 1 1 92 92 ALA HA H 113 5.297 5.297 5.457 -0.160 18332
1728 1 5 . 1 1 92 92 ALA CA C 113 50.306 50.306 51.559 -1.253 18332
1729 1 5 . 1 1 92 92 ALA CB C 113 23.342 23.342 21.986 1.356 18332
1730 1 5 . 1 1 92 92 ALA H H 113 9.225 9.225 8.317 0.908 18332
1731 1 5 . 1 1 93 93 GLU N N 114 120.553 120.553 124.769 -4.216 18332
1732 1 5 . 1 1 93 93 GLU HA H 114 5.348 5.348 4.605 0.743 18332
1733 1 5 . 1 1 93 93 GLU CA C 114 54.721 54.721 54.711 0.010 18332
1734 1 5 . 1 1 93 93 GLU CB C 114 32.530 32.530 31.279 1.251 18332
1735 1 5 . 1 1 93 93 GLU H H 114 8.840 8.840 8.803 0.037 18332
1736 1 6 . 1 1 2 2 ASN CA C 23 53.576 53.576 52.218 1.358 18332
1737 1 6 . 1 1 2 2 ASN CB C 23 38.913 38.913 38.997 -0.084 18332
1738 1 6 . 1 1 3 3 ASN N N 24 119.074 119.074 116.347 2.727 18332
1739 1 6 . 1 1 3 3 ASN C C 24 175.201 175.201 174.482 0.719 18332
1740 1 6 . 1 1 3 3 ASN CA C 24 53.609 53.609 53.355 0.254 18332
1741 1 6 . 1 1 3 3 ASN CB C 24 38.885 38.885 38.839 0.046 18332
1742 1 6 . 1 1 3 3 ASN H H 24 8.546 8.546 8.473 0.073 18332
1743 1 6 . 1 1 4 4 GLU N N 25 120.681 120.681 119.072 1.609 18332
1744 1 6 . 1 1 4 4 GLU HA H 25 4.512 4.512 4.536 -0.024 18332
1745 1 6 . 1 1 4 4 GLU C C 25 176.957 176.957 175.920 1.037 18332
1746 1 6 . 1 1 4 4 GLU CA C 25 57.107 57.107 56.071 1.036 18332
1747 1 6 . 1 1 4 4 GLU CB C 25 30.502 30.502 29.018 1.484 18332
1748 1 6 . 1 1 4 4 GLU H H 25 8.431 8.431 8.280 0.151 18332
1749 1 6 . 1 1 5 5 THR N N 26 113.493 113.493 113.444 0.049 18332
1750 1 6 . 1 1 5 5 THR HA H 26 4.332 4.332 4.379 -0.047 18332
1751 1 6 . 1 1 5 5 THR C C 26 174.268 174.268 174.867 -0.599 18332
1752 1 6 . 1 1 5 5 THR CA C 26 61.970 61.970 62.603 -0.633 18332
1753 1 6 . 1 1 5 5 THR CB C 26 70.089 70.089 69.419 0.670 18332
1754 1 6 . 1 1 5 5 THR H H 26 8.198 8.198 8.085 0.113 18332
1755 1 6 . 1 1 6 6 SER N N 27 117.653 117.653 117.203 0.450 18332
1756 1 6 . 1 1 6 6 SER HA H 27 5.077 5.077 4.528 0.549 18332
1757 1 6 . 1 1 6 6 SER C C 27 174.087 174.087 173.949 0.138 18332
1758 1 6 . 1 1 6 6 SER CA C 27 57.821 57.821 58.410 -0.589 18332
1759 1 6 . 1 1 6 6 SER CB C 27 64.827 64.827 64.431 0.396 18332
1760 1 6 . 1 1 6 6 SER H H 27 8.180 8.180 7.584 0.596 18332
1761 1 6 . 1 1 8 8 SER HA H 29 5.455 5.455 4.777 0.678 18332
1762 1 6 . 1 1 8 8 SER C C 29 174.725 174.725 173.808 0.917 18332
1763 1 6 . 1 1 8 8 SER CA C 29 57.885 57.885 57.979 -0.094 18332
1764 1 6 . 1 1 8 8 SER CB C 29 63.990 63.990 63.549 0.441 18332
1765 1 6 . 1 1 9 9 VAL N N 30 118.961 118.961 124.854 -5.893 18332
1766 1 6 . 1 1 9 9 VAL HA H 30 5.002 5.002 4.373 0.629 18332
1767 1 6 . 1 1 9 9 VAL C C 30 175.300 175.300 174.652 0.648 18332
1768 1 6 . 1 1 9 9 VAL CA C 30 58.828 58.828 61.722 -2.894 18332
1769 1 6 . 1 1 9 9 VAL CB C 30 36.058 36.058 33.961 2.097 18332
1770 1 6 . 1 1 9 9 VAL H H 30 9.435 9.435 8.215 1.220 18332
1771 1 6 . 1 1 10 10 THR N N 31 116.623 116.623 123.498 -6.875 18332
1772 1 6 . 1 1 10 10 THR HA H 31 4.726 4.726 4.692 0.034 18332
1773 1 6 . 1 1 10 10 THR C C 31 173.102 173.102 173.461 -0.359 18332
1774 1 6 . 1 1 10 10 THR CA C 31 63.291 63.291 62.047 1.244 18332
1775 1 6 . 1 1 10 10 THR CB C 31 69.490 69.490 69.492 -0.002 18332
1776 1 6 . 1 1 10 10 THR H H 31 8.284 8.284 8.159 0.125 18332
1777 1 6 . 1 1 11 11 PHE N N 32 129.214 129.214 123.092 6.122 18332
1778 1 6 . 1 1 11 11 PHE HA H 32 4.167 4.167 4.912 -0.745 18332
1779 1 6 . 1 1 11 11 PHE C C 32 172.082 172.082 172.757 -0.675 18332
1780 1 6 . 1 1 11 11 PHE CA C 32 55.403 55.403 54.562 0.841 18332
1781 1 6 . 1 1 11 11 PHE CB C 32 39.318 39.318 39.714 -0.396 18332
1782 1 6 . 1 1 11 11 PHE H H 32 8.029 8.029 8.073 -0.044 18332
1783 1 6 . 1 1 12 12 PRO HA H 33 4.130 4.130 4.688 -0.558 18332
1784 1 6 . 1 1 12 12 PRO CA C 33 62.885 62.885 62.587 0.298 18332
1785 1 6 . 1 1 12 12 PRO CB C 33 31.435 31.435 32.279 -0.844 18332
1786 1 6 . 1 1 13 13 LYS N N 34 120.291 120.291 122.397 -2.106 18332
1787 1 6 . 1 1 13 13 LYS HA H 34 4.172 4.172 4.384 -0.212 18332
1788 1 6 . 1 1 13 13 LYS CA C 34 58.877 58.877 57.229 1.648 18332
1789 1 6 . 1 1 13 13 LYS CB C 34 31.852 31.852 33.523 -1.671 18332
1790 1 6 . 1 1 13 13 LYS H H 34 7.980 7.980 8.559 -0.579 18332
1791 1 6 . 1 1 14 14 CYS N N 35 116.206 116.206 118.054 -1.848 18332
1792 1 6 . 1 1 14 14 CYS HA H 35 5.081 5.081 4.844 0.237 18332
1793 1 6 . 1 1 14 14 CYS CA C 35 54.045 54.045 56.864 -2.818 18332
1794 1 6 . 1 1 14 14 CYS CB C 35 40.904 40.904 28.177 12.727 18332
1795 1 6 . 1 1 14 14 CYS H H 35 8.056 8.056 7.694 0.362 18332
1796 1 6 . 1 1 15 15 GLU N N 36 122.110 122.110 123.816 -1.706 18332
1797 1 6 . 1 1 15 15 GLU HA H 36 4.017 4.017 4.132 -0.115 18332
1798 1 6 . 1 1 15 15 GLU CA C 36 59.377 59.377 58.651 0.726 18332
1799 1 6 . 1 1 15 15 GLU CB C 36 29.852 29.852 29.848 0.004 18332
1800 1 6 . 1 1 15 15 GLU H H 36 8.949 8.949 8.752 0.197 18332
1801 1 6 . 1 1 16 16 ASP N N 37 115.460 115.460 118.747 -3.287 18332
1802 1 6 . 1 1 16 16 ASP HA H 37 4.586 4.586 4.673 -0.087 18332
1803 1 6 . 1 1 16 16 ASP CA C 37 54.947 54.947 54.263 0.684 18332
1804 1 6 . 1 1 16 16 ASP CB C 37 40.051 40.051 41.211 -1.160 18332
1805 1 6 . 1 1 16 16 ASP H H 37 8.947 8.947 8.209 0.738 18332
1806 1 6 . 1 1 17 17 LEU N N 38 119.514 119.514 121.600 -2.086 18332
1807 1 6 . 1 1 17 17 LEU HA H 38 4.550 4.550 4.309 0.241 18332
1808 1 6 . 1 1 17 17 LEU CA C 38 54.800 54.800 55.114 -0.314 18332
1809 1 6 . 1 1 17 17 LEU CB C 38 43.291 43.291 42.849 0.442 18332
1810 1 6 . 1 1 17 17 LEU H H 38 7.468 7.468 7.529 -0.061 18332
1811 1 6 . 1 1 18 18 ASP N N 39 118.819 118.819 120.823 -2.004 18332
1812 1 6 . 1 1 18 18 ASP HA H 39 4.831 4.831 4.818 0.013 18332
1813 1 6 . 1 1 18 18 ASP CA C 39 51.261 51.261 53.037 -1.776 18332
1814 1 6 . 1 1 18 18 ASP CB C 39 41.863 41.863 43.705 -1.842 18332
1815 1 6 . 1 1 18 18 ASP H H 39 7.645 7.645 8.173 -0.528 18332
1816 1 6 . 1 1 19 19 ALA N N 40 120.945 120.945 122.030 -1.085 18332
1817 1 6 . 1 1 19 19 ALA HA H 40 3.202 3.202 3.201 0.001 18332
1818 1 6 . 1 1 19 19 ALA CA C 40 55.690 55.690 54.991 0.699 18332
1819 1 6 . 1 1 19 19 ALA CB C 40 18.317 18.317 18.580 -0.263 18332
1820 1 6 . 1 1 19 19 ALA H H 40 8.457 8.457 8.560 -0.103 18332
1821 1 6 . 1 1 20 20 ALA N N 41 117.582 117.582 120.381 -2.799 18332
1822 1 6 . 1 1 20 20 ALA HA H 41 3.921 3.921 4.039 -0.118 18332
1823 1 6 . 1 1 20 20 ALA CA C 41 55.042 55.042 54.831 0.211 18332
1824 1 6 . 1 1 20 20 ALA CB C 41 17.773 17.773 18.125 -0.352 18332
1825 1 6 . 1 1 20 20 ALA H H 41 7.944 7.944 8.258 -0.314 18332
1826 1 6 . 1 1 21 21 GLY N N 42 109.614 109.614 107.308 2.306 18332
1827 1 6 . 1 1 21 21 GLY CA C 42 47.069 47.069 46.590 0.479 18332
1828 1 6 . 1 1 21 21 GLY H H 42 8.278 8.278 7.470 0.808 18332
1829 1 6 . 1 1 22 22 ILE N N 43 126.734 126.734 123.663 3.071 18332
1830 1 6 . 1 1 22 22 ILE HA H 43 3.731 3.731 3.468 0.263 18332
1831 1 6 . 1 1 22 22 ILE CA C 43 61.614 61.614 63.441 -1.827 18332
1832 1 6 . 1 1 22 22 ILE CB C 43 35.840 35.840 36.867 -1.027 18332
1833 1 6 . 1 1 22 22 ILE H H 43 8.631 8.631 8.261 0.370 18332
1834 1 6 . 1 1 23 23 ALA N N 44 123.871 123.871 121.292 2.579 18332
1835 1 6 . 1 1 23 23 ALA HA H 44 3.676 3.676 3.863 -0.187 18332
1836 1 6 . 1 1 23 23 ALA CA C 44 55.788 55.788 55.486 0.302 18332
1837 1 6 . 1 1 23 23 ALA CB C 44 18.707 18.707 17.733 0.974 18332
1838 1 6 . 1 1 23 23 ALA H H 44 8.347 8.347 8.022 0.325 18332
1839 1 6 . 1 1 24 24 ALA N N 45 117.860 117.860 120.302 -2.442 18332
1840 1 6 . 1 1 24 24 ALA HA H 45 4.047 4.047 4.042 0.005 18332
1841 1 6 . 1 1 24 24 ALA CA C 45 55.068 55.068 54.976 0.092 18332
1842 1 6 . 1 1 24 24 ALA CB C 45 18.177 18.177 17.953 0.224 18332
1843 1 6 . 1 1 24 24 ALA H H 45 7.593 7.593 7.683 -0.090 18332
1844 1 6 . 1 1 25 25 SER N N 46 115.177 115.177 114.703 0.474 18332
1845 1 6 . 1 1 25 25 SER HA H 46 4.103 4.103 4.261 -0.158 18332
1846 1 6 . 1 1 25 25 SER CA C 46 62.044 62.044 61.628 0.416 18332
1847 1 6 . 1 1 25 25 SER CB C 46 63.061 63.061 63.119 -0.058 18332
1848 1 6 . 1 1 25 25 SER H H 46 8.086 8.086 7.910 0.176 18332
1849 1 6 . 1 1 26 26 VAL N N 47 123.762 123.762 122.192 1.570 18332
1850 1 6 . 1 1 26 26 VAL HA H 47 3.831 3.831 3.485 0.346 18332
1851 1 6 . 1 1 26 26 VAL CA C 47 67.401 67.401 66.592 0.809 18332
1852 1 6 . 1 1 26 26 VAL CB C 47 31.775 31.775 31.456 0.319 18332
1853 1 6 . 1 1 26 26 VAL H H 47 8.733 8.733 8.536 0.197 18332
1854 1 6 . 1 1 27 27 LYS N N 48 118.412 118.412 120.034 -1.622 18332
1855 1 6 . 1 1 27 27 LYS HA H 48 3.729 3.729 4.104 -0.375 18332
1856 1 6 . 1 1 27 27 LYS CA C 48 61.242 61.242 60.300 0.942 18332
1857 1 6 . 1 1 27 27 LYS CB C 48 32.696 32.696 32.139 0.557 18332
1858 1 6 . 1 1 27 27 LYS H H 48 7.931 7.931 8.393 -0.462 18332
1859 1 6 . 1 1 28 28 ARG N N 49 116.894 116.894 118.811 -1.917 18332
1860 1 6 . 1 1 28 28 ARG HA H 49 4.123 4.123 4.027 0.096 18332
1861 1 6 . 1 1 28 28 ARG CA C 49 59.414 59.414 59.339 0.075 18332
1862 1 6 . 1 1 28 28 ARG CB C 49 30.338 30.338 29.939 0.399 18332
1863 1 6 . 1 1 28 28 ARG H H 49 7.941 7.941 8.081 -0.140 18332
1864 1 6 . 1 1 29 29 ASP N N 50 119.598 119.598 119.657 -0.059 18332
1865 1 6 . 1 1 29 29 ASP HA H 50 4.161 4.161 4.358 -0.197 18332
1866 1 6 . 1 1 29 29 ASP CA C 50 58.581 58.581 57.304 1.277 18332
1867 1 6 . 1 1 29 29 ASP CB C 50 43.769 43.769 40.669 3.100 18332
1868 1 6 . 1 1 29 29 ASP H H 50 8.250 8.250 8.061 0.189 18332
1869 1 6 . 1 1 30 30 TYR N N 51 119.757 119.757 117.422 2.335 18332
1870 1 6 . 1 1 30 30 TYR CA C 51 62.615 62.615 60.453 2.163 18332
1871 1 6 . 1 1 30 30 TYR CB C 51 38.668 38.668 38.114 0.555 18332
1872 1 6 . 1 1 30 30 TYR H H 51 8.680 8.680 7.500 1.180 18332
1873 1 6 . 1 1 31 31 GLN N N 52 115.572 115.572 118.387 -2.815 18332
1874 1 6 . 1 1 31 31 GLN HA H 52 4.126 4.126 4.086 0.040 18332
1875 1 6 . 1 1 31 31 GLN C C 52 178.235 178.235 178.337 -0.102 18332
1876 1 6 . 1 1 31 31 GLN CA C 52 59.256 59.256 58.758 0.498 18332
1877 1 6 . 1 1 31 31 GLN H H 52 8.287 8.287 8.502 -0.215 18332
1878 1 6 . 1 1 32 32 GLN N N 53 114.416 114.416 118.359 -3.943 18332
1879 1 6 . 1 1 32 32 GLN C C 53 177.224 177.224 176.366 0.858 18332
1880 1 6 . 1 1 32 32 GLN CA C 53 57.673 57.673 56.815 0.858 18332
1881 1 6 . 1 1 32 32 GLN CB C 53 29.425 29.425 28.953 0.472 18332
1882 1 6 . 1 1 32 32 GLN H H 53 8.848 8.848 7.924 0.924 18332
1883 1 6 . 1 1 45 45 VAL HA H 66 4.239 4.239 3.974 0.265 18332
1884 1 6 . 1 1 45 45 VAL CA C 66 63.712 63.712 63.086 0.626 18332
1885 1 6 . 1 1 45 45 VAL CB C 66 32.252 32.252 31.215 1.037 18332
1886 1 6 . 1 1 46 46 GLY N N 67 108.542 108.542 110.870 -2.328 18332
1887 1 6 . 1 1 46 46 GLY CA C 67 45.910 45.910 44.646 1.264 18332
1888 1 6 . 1 1 46 46 GLY H H 67 8.027 8.027 8.258 -0.231 18332
1889 1 6 . 1 1 50 50 PRO HA H 71 4.129 4.129 4.544 -0.415 18332
1890 1 6 . 1 1 50 50 PRO C C 71 176.009 176.009 175.982 0.027 18332
1891 1 6 . 1 1 50 50 PRO CA C 71 62.889 62.889 62.986 -0.097 18332
1892 1 6 . 1 1 50 50 PRO CB C 71 32.769 32.769 32.666 0.103 18332
1893 1 6 . 1 1 51 51 VAL N N 72 123.129 123.129 124.884 -1.755 18332
1894 1 6 . 1 1 51 51 VAL HA H 72 4.166 4.166 4.121 0.045 18332
1895 1 6 . 1 1 51 51 VAL C C 72 174.364 174.364 175.201 -0.837 18332
1896 1 6 . 1 1 51 51 VAL CA C 72 62.794 62.794 62.331 0.463 18332
1897 1 6 . 1 1 51 51 VAL CB C 72 32.947 32.947 31.658 1.289 18332
1898 1 6 . 1 1 51 51 VAL H H 72 8.537 8.537 8.144 0.393 18332
1899 1 6 . 1 1 52 52 ALA N N 73 128.689 128.689 132.146 -3.457 18332
1900 1 6 . 1 1 52 52 ALA HA H 73 5.437 5.437 5.058 0.379 18332
1901 1 6 . 1 1 52 52 ALA C C 73 176.104 176.104 176.626 -0.522 18332
1902 1 6 . 1 1 52 52 ALA CA C 73 50.307 50.307 51.305 -0.998 18332
1903 1 6 . 1 1 52 52 ALA CB C 73 21.672 21.672 19.861 1.811 18332
1904 1 6 . 1 1 52 52 ALA H H 73 8.272 8.272 8.396 -0.124 18332
1905 1 6 . 1 1 53 53 TRP N N 74 122.550 122.550 124.332 -1.782 18332
1906 1 6 . 1 1 53 53 TRP HA H 74 4.890 4.890 5.159 -0.269 18332
1907 1 6 . 1 1 53 53 TRP C C 74 174.515 174.515 173.367 1.148 18332
1908 1 6 . 1 1 53 53 TRP CA C 74 56.883 56.883 54.881 2.002 18332
1909 1 6 . 1 1 53 53 TRP CB C 74 32.120 32.120 31.516 0.604 18332
1910 1 6 . 1 1 53 53 TRP H H 74 9.301 9.301 8.813 0.488 18332
1911 1 6 . 1 1 54 54 VAL HA H 75 4.424 4.424 4.181 0.243 18332
1912 1 6 . 1 1 54 54 VAL C C 75 174.906 174.906 175.093 -0.187 18332
1913 1 6 . 1 1 54 54 VAL CA C 75 60.326 60.326 60.255 0.071 18332
1914 1 6 . 1 1 54 54 VAL CB C 75 34.985 34.985 33.894 1.091 18332
1915 1 6 . 1 1 55 55 SER N N 76 121.442 121.442 122.948 -1.506 18332
1916 1 6 . 1 1 55 55 SER HA H 76 4.427 4.427 4.656 -0.229 18332
1917 1 6 . 1 1 55 55 SER CA C 76 55.979 55.979 57.252 -1.273 18332
1918 1 6 . 1 1 55 55 SER CB C 76 62.223 62.223 63.572 -1.349 18332
1919 1 6 . 1 1 55 55 SER H H 76 7.855 7.855 8.475 -0.620 18332
1920 1 6 . 1 1 56 56 LEU N N 77 129.932 129.932 128.800 1.132 18332
1921 1 6 . 1 1 56 56 LEU HA H 77 3.829 3.829 4.059 -0.230 18332
1922 1 6 . 1 1 56 56 LEU CA C 77 58.257 58.257 58.345 -0.088 18332
1923 1 6 . 1 1 56 56 LEU CB C 77 41.844 41.844 41.581 0.263 18332
1924 1 6 . 1 1 56 56 LEU H H 77 8.256 8.256 9.113 -0.857 18332
1925 1 6 . 1 1 57 57 GLN N N 78 115.179 115.179 116.742 -1.563 18332
1926 1 6 . 1 1 57 57 GLN HA H 78 4.186 4.186 4.206 -0.020 18332
1927 1 6 . 1 1 57 57 GLN CA C 78 57.730 57.730 57.682 0.048 18332
1928 1 6 . 1 1 57 57 GLN CB C 78 28.156 28.156 27.861 0.295 18332
1929 1 6 . 1 1 57 57 GLN H H 78 8.614 8.614 8.680 -0.066 18332
1930 1 6 . 1 1 58 58 ASP N N 79 116.803 116.803 117.079 -0.276 18332
1931 1 6 . 1 1 58 58 ASP HA H 79 4.901 4.901 4.725 0.176 18332
1932 1 6 . 1 1 58 58 ASP CA C 79 54.261 54.261 53.663 0.598 18332
1933 1 6 . 1 1 58 58 ASP CB C 79 43.008 43.008 42.233 0.776 18332
1934 1 6 . 1 1 58 58 ASP H H 79 7.486 7.486 7.705 -0.219 18332
1935 1 6 . 1 1 59 59 ILE N N 80 121.887 121.887 121.550 0.337 18332
1936 1 6 . 1 1 59 59 ILE HA H 80 4.344 4.344 3.892 0.452 18332
1937 1 6 . 1 1 59 59 ILE CA C 80 63.397 63.397 61.881 1.516 18332
1938 1 6 . 1 1 59 59 ILE CB C 80 38.796 38.796 36.091 2.705 18332
1939 1 6 . 1 1 59 59 ILE H H 80 7.278 7.278 7.563 -0.285 18332
1940 1 6 . 1 1 60 60 GLN N N 81 126.140 126.140 126.187 -0.047 18332
1941 1 6 . 1 1 60 60 GLN HA H 81 4.983 4.983 4.809 0.174 18332
1942 1 6 . 1 1 60 60 GLN CA C 81 54.165 54.165 54.180 -0.015 18332
1943 1 6 . 1 1 60 60 GLN CB C 81 32.639 32.639 32.807 -0.168 18332
1944 1 6 . 1 1 60 60 GLN H H 81 8.318 8.318 8.260 0.058 18332
1945 1 6 . 1 1 61 61 GLY N N 82 111.215 111.215 108.075 3.140 18332
1946 1 6 . 1 1 61 61 GLY CA C 82 45.844 45.844 44.745 1.099 18332
1947 1 6 . 1 1 61 61 GLY H H 82 8.484 8.484 8.322 0.162 18332
1948 1 6 . 1 1 62 62 LYS N N 83 119.467 119.467 120.192 -0.725 18332
1949 1 6 . 1 1 62 62 LYS HA H 83 3.986 3.986 4.342 -0.356 18332
1950 1 6 . 1 1 62 62 LYS CA C 83 56.248 56.248 54.662 1.586 18332
1951 1 6 . 1 1 62 62 LYS CB C 83 34.501 34.501 35.087 -0.586 18332
1952 1 6 . 1 1 62 62 LYS H H 83 7.669 7.669 7.870 -0.201 18332
1953 1 6 . 1 1 63 63 ASP N N 84 124.240 124.240 122.982 1.258 18332
1954 1 6 . 1 1 63 63 ASP HA H 84 4.181 4.181 4.172 0.009 18332
1955 1 6 . 1 1 63 63 ASP CA C 84 56.029 56.029 56.873 -0.844 18332
1956 1 6 . 1 1 63 63 ASP CB C 84 39.258 39.258 40.277 -1.019 18332
1957 1 6 . 1 1 63 63 ASP H H 84 9.052 9.052 8.899 0.153 18332
1958 1 6 . 1 1 64 64 ASP N N 85 110.367 110.367 116.199 -5.832 18332
1959 1 6 . 1 1 64 64 ASP HA H 85 4.240 4.240 4.692 -0.452 18332
1960 1 6 . 1 1 64 64 ASP CA C 85 56.115 56.115 54.064 2.051 18332
1961 1 6 . 1 1 64 64 ASP CB C 85 40.468 40.468 42.934 -2.466 18332
1962 1 6 . 1 1 64 64 ASP H H 85 8.261 8.261 8.165 0.096 18332
1963 1 6 . 1 1 65 65 LYS N N 86 119.587 119.587 121.527 -1.940 18332
1964 1 6 . 1 1 65 65 LYS HA H 86 5.352 5.352 5.401 -0.049 18332
1965 1 6 . 1 1 65 65 LYS CA C 86 55.218 55.218 55.354 -0.136 18332
1966 1 6 . 1 1 65 65 LYS CB C 86 34.418 34.418 34.949 -0.531 18332
1967 1 6 . 1 1 65 65 LYS H H 86 7.460 7.460 7.649 -0.189 18332
1968 1 6 . 1 1 66 66 TRP N N 87 121.490 121.490 123.689 -2.199 18332
1969 1 6 . 1 1 66 66 TRP HA H 87 5.307 5.307 5.115 0.192 18332
1970 1 6 . 1 1 66 66 TRP C C 87 175.839 175.839 175.165 0.674 18332
1971 1 6 . 1 1 66 66 TRP CA C 87 55.834 55.834 56.014 -0.180 18332
1972 1 6 . 1 1 66 66 TRP CB C 87 34.217 34.217 33.584 0.633 18332
1973 1 6 . 1 1 66 66 TRP H H 87 8.903 8.903 9.129 -0.226 18332
1974 1 6 . 1 1 67 67 SER N N 88 118.488 118.488 115.910 2.578 18332
1975 1 6 . 1 1 67 67 SER HA H 88 5.236 5.236 5.565 -0.329 18332
1976 1 6 . 1 1 67 67 SER CA C 88 57.197 57.197 56.111 1.086 18332
1977 1 6 . 1 1 67 67 SER CB C 88 63.945 63.945 64.590 -0.645 18332
1978 1 6 . 1 1 67 67 SER H H 88 9.382 9.382 9.424 -0.042 18332
1979 1 6 . 1 1 68 68 VAL N N 89 127.693 127.693 128.381 -0.688 18332
1980 1 6 . 1 1 68 68 VAL HA H 89 4.620 4.620 4.323 0.297 18332
1981 1 6 . 1 1 68 68 VAL CA C 89 59.246 59.246 60.698 -1.452 18332
1982 1 6 . 1 1 68 68 VAL CB C 89 35.649 35.649 32.187 3.462 18332
1983 1 6 . 1 1 68 68 VAL H H 89 9.360 9.360 8.609 0.751 18332
1984 1 6 . 1 1 69 69 PRO HA H 90 4.077 4.077 4.287 -0.210 18332
1985 1 6 . 1 1 69 69 PRO C C 90 174.726 174.726 176.593 -1.867 18332
1986 1 6 . 1 1 69 69 PRO CA C 90 61.967 61.967 62.844 -0.878 18332
1987 1 6 . 1 1 69 69 PRO CB C 90 31.095 31.095 31.642 -0.547 18332
1988 1 6 . 1 1 70 70 LEU N N 91 126.522 126.522 120.680 5.842 18332
1989 1 6 . 1 1 70 70 LEU HA H 91 4.818 4.818 4.213 0.605 18332
1990 1 6 . 1 1 70 70 LEU C C 91 173.906 173.906 175.767 -1.861 18332
1991 1 6 . 1 1 70 70 LEU CA C 91 53.978 53.978 54.610 -0.632 18332
1992 1 6 . 1 1 70 70 LEU CB C 91 46.386 46.386 40.746 5.639 18332
1993 1 6 . 1 1 70 70 LEU H H 91 8.767 8.767 8.147 0.620 18332
1994 1 6 . 1 1 71 71 THR HA H 92 5.105 5.105 4.396 0.709 18332
1995 1 6 . 1 1 71 71 THR H H 92 9.034 9.034 7.559 1.475 18332
1996 1 6 . 1 1 72 72 VAL HA H 93 4.532 4.532 4.756 -0.224 18332
1997 1 6 . 1 1 72 72 VAL CA C 93 61.333 61.333 60.785 0.548 18332
1998 1 6 . 1 1 72 72 VAL CB C 93 33.826 33.826 35.025 -1.199 18332
1999 1 6 . 1 1 73 73 ARG N N 94 126.565 126.565 128.041 -1.476 18332
2000 1 6 . 1 1 73 73 ARG HA H 94 4.900 4.900 4.503 0.397 18332
2001 1 6 . 1 1 73 73 ARG CA C 94 55.931 55.931 55.866 0.065 18332
2002 1 6 . 1 1 73 73 ARG CB C 94 31.104 31.104 30.407 0.697 18332
2003 1 6 . 1 1 73 73 ARG H H 94 8.833 8.833 9.264 -0.431 18332
2004 1 6 . 1 1 74 74 GLY N N 95 112.938 112.938 111.999 0.939 18332
2005 1 6 . 1 1 74 74 GLY CA C 95 44.454 44.454 44.884 -0.430 18332
2006 1 6 . 1 1 74 74 GLY H H 95 8.562 8.562 8.257 0.305 18332
2007 1 6 . 1 1 75 75 LYS N N 96 119.229 119.229 124.433 -5.204 18332
2008 1 6 . 1 1 75 75 LYS HA H 96 4.243 4.243 4.336 -0.093 18332
2009 1 6 . 1 1 75 75 LYS CA C 96 59.295 59.295 57.689 1.606 18332
2010 1 6 . 1 1 75 75 LYS CB C 96 32.597 32.597 32.681 -0.084 18332
2011 1 6 . 1 1 75 75 LYS H H 96 8.074 8.074 8.536 -0.462 18332
2012 1 6 . 1 1 76 76 SER N N 97 111.880 111.880 114.147 -2.267 18332
2013 1 6 . 1 1 76 76 SER HA H 97 4.625 4.625 4.480 0.145 18332
2014 1 6 . 1 1 76 76 SER CA C 97 58.593 58.593 58.456 0.137 18332
2015 1 6 . 1 1 76 76 SER CB C 97 64.106 64.106 63.263 0.843 18332
2016 1 6 . 1 1 76 76 SER H H 97 8.828 8.828 8.133 0.695 18332
2017 1 6 . 1 1 77 77 ALA N N 98 122.995 122.995 124.550 -1.555 18332
2018 1 6 . 1 1 77 77 ALA HA H 98 4.121 4.121 4.511 -0.390 18332
2019 1 6 . 1 1 77 77 ALA CA C 98 51.218 51.218 51.215 0.003 18332
2020 1 6 . 1 1 77 77 ALA CB C 98 21.866 21.866 20.377 1.489 18332
2021 1 6 . 1 1 77 77 ALA H H 98 7.341 7.341 7.182 0.159 18332
2022 1 6 . 1 1 78 78 ASP N N 99 115.649 115.649 119.202 -3.553 18332
2023 1 6 . 1 1 78 78 ASP HA H 99 5.435 5.435 4.723 0.712 18332
2024 1 6 . 1 1 78 78 ASP CA C 99 52.144 52.144 53.386 -1.242 18332
2025 1 6 . 1 1 78 78 ASP CB C 99 43.392 43.392 42.952 0.440 18332
2026 1 6 . 1 1 78 78 ASP H H 99 8.206 8.206 8.344 -0.138 18332
2027 1 6 . 1 1 79 79 ILE N N 100 120.032 120.032 119.897 0.135 18332
2028 1 6 . 1 1 79 79 ILE HA H 100 4.177 4.177 4.447 -0.270 18332
2029 1 6 . 1 1 79 79 ILE CA C 100 60.560 60.560 60.295 0.265 18332
2030 1 6 . 1 1 79 79 ILE CB C 100 41.095 41.095 41.052 0.043 18332
2031 1 6 . 1 1 79 79 ILE H H 100 9.039 9.039 8.141 0.898 18332
2032 1 6 . 1 1 83 83 VAL HA H 104 4.779 4.779 4.894 -0.115 18332
2033 1 6 . 1 1 83 83 VAL CA C 104 61.192 61.192 61.123 0.069 18332
2034 1 6 . 1 1 83 83 VAL CB C 104 31.896 31.896 35.330 -3.434 18332
2035 1 6 . 1 1 84 84 SER N N 105 124.376 124.376 123.466 0.910 18332
2036 1 6 . 1 1 84 84 SER HA H 105 5.393 5.393 5.084 0.309 18332
2037 1 6 . 1 1 84 84 SER CA C 105 56.419 56.419 58.055 -1.636 18332
2038 1 6 . 1 1 84 84 SER CB C 105 63.496 63.496 63.727 -0.231 18332
2039 1 6 . 1 1 84 84 SER H H 105 8.973 8.973 9.233 -0.260 18332
2040 1 6 . 1 1 85 85 VAL N N 106 127.349 127.349 128.113 -0.764 18332
2041 1 6 . 1 1 85 85 VAL HA H 106 4.090 4.090 4.259 -0.169 18332
2042 1 6 . 1 1 85 85 VAL CA C 106 61.843 61.843 61.638 0.205 18332
2043 1 6 . 1 1 85 85 VAL CB C 106 34.995 34.995 32.135 2.860 18332
2044 1 6 . 1 1 85 85 VAL H H 106 9.254 9.254 9.077 0.177 18332
2045 1 6 . 1 1 86 86 ASP N N 107 126.522 126.522 128.757 -2.235 18332
2046 1 6 . 1 1 86 86 ASP HA H 107 5.149 5.149 5.047 0.102 18332
2047 1 6 . 1 1 86 86 ASP CA C 107 52.528 52.528 54.047 -1.519 18332
2048 1 6 . 1 1 86 86 ASP CB C 107 41.694 41.694 42.430 -0.736 18332
2049 1 6 . 1 1 86 86 ASP H H 107 8.877 8.877 8.634 0.243 18332
2050 1 6 . 1 1 87 87 CYS N N 108 120.863 120.863 126.304 -5.441 18332
2051 1 6 . 1 1 87 87 CYS HA H 108 4.828 4.828 4.348 0.480 18332
2052 1 6 . 1 1 87 87 CYS CA C 108 57.070 57.070 60.996 -3.926 18332
2053 1 6 . 1 1 87 87 CYS CB C 108 40.994 40.994 27.625 13.369 18332
2054 1 6 . 1 1 87 87 CYS H H 108 8.989 8.989 9.349 -0.360 18332
2055 1 6 . 1 1 88 88 LYS N N 109 118.800 118.800 120.458 -1.658 18332
2056 1 6 . 1 1 88 88 LYS HA H 109 4.384 4.384 4.134 0.250 18332
2057 1 6 . 1 1 88 88 LYS CA C 109 58.418 58.418 58.584 -0.166 18332
2058 1 6 . 1 1 88 88 LYS CB C 109 32.625 32.625 31.934 0.691 18332
2059 1 6 . 1 1 88 88 LYS H H 109 8.374 8.374 8.875 -0.501 18332
2060 1 6 . 1 1 89 89 ALA N N 110 119.495 119.495 118.850 0.645 18332
2061 1 6 . 1 1 89 89 ALA HA H 110 4.285 4.285 4.401 -0.116 18332
2062 1 6 . 1 1 89 89 ALA CA C 110 52.221 52.221 52.071 0.150 18332
2063 1 6 . 1 1 89 89 ALA CB C 110 19.837 19.837 19.309 0.528 18332
2064 1 6 . 1 1 89 89 ALA H H 110 7.777 7.777 7.662 0.115 18332
2065 1 6 . 1 1 90 90 GLY N N 111 107.111 107.111 107.702 -0.591 18332
2066 1 6 . 1 1 90 90 GLY CA C 111 47.745 47.745 45.204 2.541 18332
2067 1 6 . 1 1 90 90 GLY H H 111 8.084 8.084 7.642 0.442 18332
2068 1 6 . 1 1 91 91 MET N N 112 118.682 118.682 117.789 0.893 18332
2069 1 6 . 1 1 91 91 MET HA H 112 5.426 5.426 4.602 0.824 18332
2070 1 6 . 1 1 91 91 MET CA C 112 53.755 53.755 53.980 -0.225 18332
2071 1 6 . 1 1 91 91 MET CB C 112 37.293 37.293 37.115 0.178 18332
2072 1 6 . 1 1 91 91 MET H H 112 7.731 7.731 7.829 -0.098 18332
2073 1 6 . 1 1 92 92 ALA N N 113 123.295 123.295 121.907 1.388 18332
2074 1 6 . 1 1 92 92 ALA HA H 113 5.297 5.297 5.173 0.124 18332
2075 1 6 . 1 1 92 92 ALA CA C 113 50.306 50.306 50.963 -0.657 18332
2076 1 6 . 1 1 92 92 ALA CB C 113 23.342 23.342 21.241 2.101 18332
2077 1 6 . 1 1 92 92 ALA H H 113 9.225 9.225 8.289 0.936 18332
2078 1 6 . 1 1 93 93 GLU N N 114 120.553 120.553 125.099 -4.546 18332
2079 1 6 . 1 1 93 93 GLU HA H 114 5.348 5.348 4.596 0.752 18332
2080 1 6 . 1 1 93 93 GLU CA C 114 54.721 54.721 54.545 0.176 18332
2081 1 6 . 1 1 93 93 GLU CB C 114 32.530 32.530 31.843 0.687 18332
2082 1 6 . 1 1 93 93 GLU H H 114 8.840 8.840 8.584 0.256 18332
2083 1 7 . 1 1 2 2 ASN CA C 23 53.576 53.576 52.831 0.745 18332
2084 1 7 . 1 1 2 2 ASN CB C 23 38.913 38.913 39.714 -0.801 18332
2085 1 7 . 1 1 3 3 ASN N N 24 119.074 119.074 121.912 -2.838 18332
2086 1 7 . 1 1 3 3 ASN C C 24 175.201 175.201 174.662 0.539 18332
2087 1 7 . 1 1 3 3 ASN CA C 24 53.609 53.609 53.887 -0.278 18332
2088 1 7 . 1 1 3 3 ASN CB C 24 38.885 38.885 38.874 0.011 18332
2089 1 7 . 1 1 3 3 ASN H H 24 8.546 8.546 8.725 -0.179 18332
2090 1 7 . 1 1 4 4 GLU N N 25 120.681 120.681 117.661 3.020 18332
2091 1 7 . 1 1 4 4 GLU HA H 25 4.512 4.512 4.157 0.355 18332
2092 1 7 . 1 1 4 4 GLU C C 25 176.957 176.957 175.184 1.773 18332
2093 1 7 . 1 1 4 4 GLU CA C 25 57.107 57.107 56.120 0.987 18332
2094 1 7 . 1 1 4 4 GLU CB C 25 30.502 30.502 29.410 1.093 18332
2095 1 7 . 1 1 4 4 GLU H H 25 8.431 8.431 8.423 0.008 18332
2096 1 7 . 1 1 5 5 THR N N 26 113.493 113.493 111.957 1.536 18332
2097 1 7 . 1 1 5 5 THR HA H 26 4.332 4.332 4.399 -0.067 18332
2098 1 7 . 1 1 5 5 THR C C 26 174.268 174.268 174.685 -0.417 18332
2099 1 7 . 1 1 5 5 THR CA C 26 61.970 61.970 62.447 -0.477 18332
2100 1 7 . 1 1 5 5 THR CB C 26 70.089 70.089 69.211 0.878 18332
2101 1 7 . 1 1 5 5 THR H H 26 8.198 8.198 7.975 0.223 18332
2102 1 7 . 1 1 6 6 SER N N 27 117.653 117.653 120.733 -3.080 18332
2103 1 7 . 1 1 6 6 SER HA H 27 5.077 5.077 4.653 0.424 18332
2104 1 7 . 1 1 6 6 SER C C 27 174.087 174.087 174.725 -0.638 18332
2105 1 7 . 1 1 6 6 SER CA C 27 57.821 57.821 58.000 -0.179 18332
2106 1 7 . 1 1 6 6 SER CB C 27 64.827 64.827 63.758 1.069 18332
2107 1 7 . 1 1 6 6 SER H H 27 8.180 8.180 8.681 -0.501 18332
2108 1 7 . 1 1 8 8 SER HA H 29 5.455 5.455 4.695 0.760 18332
2109 1 7 . 1 1 8 8 SER C C 29 174.725 174.725 172.947 1.778 18332
2110 1 7 . 1 1 8 8 SER CA C 29 57.885 57.885 57.802 0.083 18332
2111 1 7 . 1 1 8 8 SER CB C 29 63.990 63.990 63.960 0.030 18332
2112 1 7 . 1 1 9 9 VAL N N 30 118.961 118.961 123.937 -4.976 18332
2113 1 7 . 1 1 9 9 VAL HA H 30 5.002 5.002 4.375 0.627 18332
2114 1 7 . 1 1 9 9 VAL C C 30 175.300 175.300 174.662 0.638 18332
2115 1 7 . 1 1 9 9 VAL CA C 30 58.828 58.828 62.538 -3.710 18332
2116 1 7 . 1 1 9 9 VAL CB C 30 36.058 36.058 35.498 0.560 18332
2117 1 7 . 1 1 9 9 VAL H H 30 9.435 9.435 8.439 0.996 18332
2118 1 7 . 1 1 10 10 THR N N 31 116.623 116.623 122.056 -5.433 18332
2119 1 7 . 1 1 10 10 THR HA H 31 4.726 4.726 4.631 0.095 18332
2120 1 7 . 1 1 10 10 THR C C 31 173.102 173.102 173.468 -0.366 18332
2121 1 7 . 1 1 10 10 THR CA C 31 63.291 63.291 60.458 2.833 18332
2122 1 7 . 1 1 10 10 THR CB C 31 69.490 69.490 69.334 0.156 18332
2123 1 7 . 1 1 10 10 THR H H 31 8.284 8.284 8.130 0.154 18332
2124 1 7 . 1 1 11 11 PHE N N 32 129.214 129.214 124.075 5.139 18332
2125 1 7 . 1 1 11 11 PHE HA H 32 4.167 4.167 5.083 -0.916 18332
2126 1 7 . 1 1 11 11 PHE C C 32 172.082 172.082 172.880 -0.798 18332
2127 1 7 . 1 1 11 11 PHE CA C 32 55.403 55.403 54.129 1.274 18332
2128 1 7 . 1 1 11 11 PHE CB C 32 39.318 39.318 39.260 0.058 18332
2129 1 7 . 1 1 11 11 PHE H H 32 8.029 8.029 7.435 0.594 18332
2130 1 7 . 1 1 12 12 PRO HA H 33 4.130 4.130 4.835 -0.705 18332
2131 1 7 . 1 1 12 12 PRO CA C 33 62.885 62.885 62.689 0.196 18332
2132 1 7 . 1 1 12 12 PRO CB C 33 31.435 31.435 32.173 -0.738 18332
2133 1 7 . 1 1 13 13 LYS N N 34 120.291 120.291 123.950 -3.659 18332
2134 1 7 . 1 1 13 13 LYS HA H 34 4.172 4.172 4.403 -0.231 18332
2135 1 7 . 1 1 13 13 LYS CA C 34 58.877 58.877 57.811 1.066 18332
2136 1 7 . 1 1 13 13 LYS CB C 34 31.852 31.852 33.641 -1.789 18332
2137 1 7 . 1 1 13 13 LYS H H 34 7.980 7.980 8.722 -0.742 18332
2138 1 7 . 1 1 14 14 CYS N N 35 116.206 116.206 117.248 -1.042 18332
2139 1 7 . 1 1 14 14 CYS HA H 35 5.081 5.081 4.894 0.187 18332
2140 1 7 . 1 1 14 14 CYS CA C 35 54.045 54.045 56.681 -2.636 18332
2141 1 7 . 1 1 14 14 CYS CB C 35 40.904 40.904 27.808 13.096 18332
2142 1 7 . 1 1 14 14 CYS H H 35 8.056 8.056 8.233 -0.177 18332
2143 1 7 . 1 1 15 15 GLU N N 36 122.110 122.110 124.297 -2.187 18332
2144 1 7 . 1 1 15 15 GLU HA H 36 4.017 4.017 4.178 -0.161 18332
2145 1 7 . 1 1 15 15 GLU CA C 36 59.377 59.377 58.691 0.686 18332
2146 1 7 . 1 1 15 15 GLU CB C 36 29.852 29.852 29.771 0.081 18332
2147 1 7 . 1 1 15 15 GLU H H 36 8.949 8.949 8.727 0.222 18332
2148 1 7 . 1 1 16 16 ASP N N 37 115.460 115.460 118.756 -3.296 18332
2149 1 7 . 1 1 16 16 ASP HA H 37 4.586 4.586 4.757 -0.171 18332
2150 1 7 . 1 1 16 16 ASP CA C 37 54.947 54.947 54.131 0.816 18332
2151 1 7 . 1 1 16 16 ASP CB C 37 40.051 40.051 41.425 -1.374 18332
2152 1 7 . 1 1 16 16 ASP H H 37 8.947 8.947 8.260 0.687 18332
2153 1 7 . 1 1 17 17 LEU N N 38 119.514 119.514 122.006 -2.492 18332
2154 1 7 . 1 1 17 17 LEU HA H 38 4.550 4.550 4.312 0.238 18332
2155 1 7 . 1 1 17 17 LEU CA C 38 54.800 54.800 55.634 -0.834 18332
2156 1 7 . 1 1 17 17 LEU CB C 38 43.291 43.291 42.654 0.637 18332
2157 1 7 . 1 1 17 17 LEU H H 38 7.468 7.468 7.586 -0.118 18332
2158 1 7 . 1 1 18 18 ASP N N 39 118.819 118.819 121.314 -2.495 18332
2159 1 7 . 1 1 18 18 ASP HA H 39 4.831 4.831 4.838 -0.007 18332
2160 1 7 . 1 1 18 18 ASP CA C 39 51.261 51.261 53.115 -1.854 18332
2161 1 7 . 1 1 18 18 ASP CB C 39 41.863 41.863 44.071 -2.208 18332
2162 1 7 . 1 1 18 18 ASP H H 39 7.645 7.645 8.153 -0.508 18332
2163 1 7 . 1 1 19 19 ALA N N 40 120.945 120.945 122.076 -1.131 18332
2164 1 7 . 1 1 19 19 ALA HA H 40 3.202 3.202 3.269 -0.067 18332
2165 1 7 . 1 1 19 19 ALA CA C 40 55.690 55.690 55.089 0.601 18332
2166 1 7 . 1 1 19 19 ALA CB C 40 18.317 18.317 18.668 -0.351 18332
2167 1 7 . 1 1 19 19 ALA H H 40 8.457 8.457 8.626 -0.169 18332
2168 1 7 . 1 1 20 20 ALA N N 41 117.582 117.582 120.474 -2.892 18332
2169 1 7 . 1 1 20 20 ALA HA H 41 3.921 3.921 4.032 -0.111 18332
2170 1 7 . 1 1 20 20 ALA CA C 41 55.042 55.042 54.952 0.090 18332
2171 1 7 . 1 1 20 20 ALA CB C 41 17.773 17.773 18.070 -0.297 18332
2172 1 7 . 1 1 20 20 ALA H H 41 7.944 7.944 8.319 -0.375 18332
2173 1 7 . 1 1 21 21 GLY N N 42 109.614 109.614 107.226 2.388 18332
2174 1 7 . 1 1 21 21 GLY CA C 42 47.069 47.069 46.647 0.422 18332
2175 1 7 . 1 1 21 21 GLY H H 42 8.278 8.278 7.511 0.767 18332
2176 1 7 . 1 1 22 22 ILE N N 43 126.734 126.734 123.600 3.134 18332
2177 1 7 . 1 1 22 22 ILE HA H 43 3.731 3.731 3.443 0.288 18332
2178 1 7 . 1 1 22 22 ILE CA C 43 61.614 61.614 63.515 -1.901 18332
2179 1 7 . 1 1 22 22 ILE CB C 43 35.840 35.840 36.779 -0.939 18332
2180 1 7 . 1 1 22 22 ILE H H 43 8.631 8.631 8.342 0.289 18332
2181 1 7 . 1 1 23 23 ALA N N 44 123.871 123.871 121.437 2.434 18332
2182 1 7 . 1 1 23 23 ALA HA H 44 3.676 3.676 3.866 -0.190 18332
2183 1 7 . 1 1 23 23 ALA CA C 44 55.788 55.788 55.551 0.237 18332
2184 1 7 . 1 1 23 23 ALA CB C 44 18.707 18.707 17.782 0.925 18332
2185 1 7 . 1 1 23 23 ALA H H 44 8.347 8.347 8.010 0.337 18332
2186 1 7 . 1 1 24 24 ALA N N 45 117.860 117.860 120.146 -2.286 18332
2187 1 7 . 1 1 24 24 ALA HA H 45 4.047 4.047 4.050 -0.003 18332
2188 1 7 . 1 1 24 24 ALA CA C 45 55.068 55.068 54.924 0.144 18332
2189 1 7 . 1 1 24 24 ALA CB C 45 18.177 18.177 18.082 0.095 18332
2190 1 7 . 1 1 24 24 ALA H H 45 7.593 7.593 7.638 -0.045 18332
2191 1 7 . 1 1 25 25 SER N N 46 115.177 115.177 114.436 0.741 18332
2192 1 7 . 1 1 25 25 SER HA H 46 4.103 4.103 4.294 -0.191 18332
2193 1 7 . 1 1 25 25 SER CA C 46 62.044 62.044 61.486 0.558 18332
2194 1 7 . 1 1 25 25 SER CB C 46 63.061 63.061 63.239 -0.178 18332
2195 1 7 . 1 1 25 25 SER H H 46 8.086 8.086 8.149 -0.063 18332
2196 1 7 . 1 1 26 26 VAL N N 47 123.762 123.762 123.146 0.616 18332
2197 1 7 . 1 1 26 26 VAL HA H 47 3.831 3.831 3.717 0.114 18332
2198 1 7 . 1 1 26 26 VAL CA C 47 67.401 67.401 65.031 2.370 18332
2199 1 7 . 1 1 26 26 VAL CB C 47 31.775 31.775 31.785 -0.010 18332
2200 1 7 . 1 1 26 26 VAL H H 47 8.733 8.733 8.539 0.194 18332
2201 1 7 . 1 1 27 27 LYS N N 48 118.412 118.412 120.245 -1.833 18332
2202 1 7 . 1 1 27 27 LYS HA H 48 3.729 3.729 4.092 -0.363 18332
2203 1 7 . 1 1 27 27 LYS CA C 48 61.242 61.242 60.408 0.834 18332
2204 1 7 . 1 1 27 27 LYS CB C 48 32.696 32.696 32.047 0.649 18332
2205 1 7 . 1 1 27 27 LYS H H 48 7.931 7.931 8.192 -0.261 18332
2206 1 7 . 1 1 28 28 ARG N N 49 116.894 116.894 119.417 -2.523 18332
2207 1 7 . 1 1 28 28 ARG HA H 49 4.123 4.123 4.035 0.088 18332
2208 1 7 . 1 1 28 28 ARG CA C 49 59.414 59.414 59.043 0.371 18332
2209 1 7 . 1 1 28 28 ARG CB C 49 30.338 30.338 29.644 0.694 18332
2210 1 7 . 1 1 28 28 ARG H H 49 7.941 7.941 8.062 -0.121 18332
2211 1 7 . 1 1 29 29 ASP N N 50 119.598 119.598 119.145 0.453 18332
2212 1 7 . 1 1 29 29 ASP HA H 50 4.161 4.161 4.305 -0.144 18332
2213 1 7 . 1 1 29 29 ASP CA C 50 58.581 58.581 57.780 0.801 18332
2214 1 7 . 1 1 29 29 ASP CB C 50 43.769 43.769 40.762 3.007 18332
2215 1 7 . 1 1 29 29 ASP H H 50 8.250 8.250 8.005 0.245 18332
2216 1 7 . 1 1 30 30 TYR N N 51 119.757 119.757 118.150 1.607 18332
2217 1 7 . 1 1 30 30 TYR CA C 51 62.615 62.615 60.835 1.780 18332
2218 1 7 . 1 1 30 30 TYR CB C 51 38.668 38.668 38.100 0.568 18332
2219 1 7 . 1 1 30 30 TYR H H 51 8.680 8.680 7.657 1.023 18332
2220 1 7 . 1 1 31 31 GLN N N 52 115.572 115.572 119.584 -4.012 18332
2221 1 7 . 1 1 31 31 GLN HA H 52 4.126 4.126 3.993 0.133 18332
2222 1 7 . 1 1 31 31 GLN C C 52 178.235 178.235 178.730 -0.495 18332
2223 1 7 . 1 1 31 31 GLN CA C 52 59.256 59.256 58.866 0.390 18332
2224 1 7 . 1 1 31 31 GLN H H 52 8.287 8.287 8.362 -0.075 18332
2225 1 7 . 1 1 32 32 GLN N N 53 114.416 114.416 119.830 -5.414 18332
2226 1 7 . 1 1 32 32 GLN C C 53 177.224 177.224 176.871 0.353 18332
2227 1 7 . 1 1 32 32 GLN CA C 53 57.673 57.673 57.898 -0.225 18332
2228 1 7 . 1 1 32 32 GLN CB C 53 29.425 29.425 28.724 0.701 18332
2229 1 7 . 1 1 32 32 GLN H H 53 8.848 8.848 8.133 0.715 18332
2230 1 7 . 1 1 45 45 VAL HA H 66 4.239 4.239 4.346 -0.107 18332
2231 1 7 . 1 1 45 45 VAL CA C 66 63.712 63.712 62.667 1.045 18332
2232 1 7 . 1 1 45 45 VAL CB C 66 32.252 32.252 32.568 -0.316 18332
2233 1 7 . 1 1 46 46 GLY N N 67 108.542 108.542 109.117 -0.575 18332
2234 1 7 . 1 1 46 46 GLY CA C 67 45.910 45.910 45.284 0.626 18332
2235 1 7 . 1 1 46 46 GLY H H 67 8.027 8.027 7.922 0.105 18332
2236 1 7 . 1 1 50 50 PRO HA H 71 4.129 4.129 4.713 -0.584 18332
2237 1 7 . 1 1 50 50 PRO C C 71 176.009 176.009 176.618 -0.609 18332
2238 1 7 . 1 1 50 50 PRO CA C 71 62.889 62.889 62.820 0.069 18332
2239 1 7 . 1 1 50 50 PRO CB C 71 32.769 32.769 32.409 0.360 18332
2240 1 7 . 1 1 51 51 VAL N N 72 123.129 123.129 124.783 -1.654 18332
2241 1 7 . 1 1 51 51 VAL HA H 72 4.166 4.166 4.191 -0.025 18332
2242 1 7 . 1 1 51 51 VAL C C 72 174.364 174.364 174.906 -0.542 18332
2243 1 7 . 1 1 51 51 VAL CA C 72 62.794 62.794 61.816 0.978 18332
2244 1 7 . 1 1 51 51 VAL CB C 72 32.947 32.947 32.791 0.156 18332
2245 1 7 . 1 1 51 51 VAL H H 72 8.537 8.537 7.926 0.612 18332
2246 1 7 . 1 1 52 52 ALA N N 73 128.689 128.689 130.993 -2.304 18332
2247 1 7 . 1 1 52 52 ALA HA H 73 5.437 5.437 5.357 0.080 18332
2248 1 7 . 1 1 52 52 ALA C C 73 176.104 176.104 176.675 -0.571 18332
2249 1 7 . 1 1 52 52 ALA CA C 73 50.307 50.307 50.700 -0.393 18332
2250 1 7 . 1 1 52 52 ALA CB C 73 21.672 21.672 20.861 0.811 18332
2251 1 7 . 1 1 52 52 ALA H H 73 8.272 8.272 8.507 -0.235 18332
2252 1 7 . 1 1 53 53 TRP N N 74 122.550 122.550 122.870 -0.320 18332
2253 1 7 . 1 1 53 53 TRP HA H 74 4.890 4.890 5.034 -0.144 18332
2254 1 7 . 1 1 53 53 TRP C C 74 174.515 174.515 172.798 1.717 18332
2255 1 7 . 1 1 53 53 TRP CA C 74 56.883 56.883 55.459 1.424 18332
2256 1 7 . 1 1 53 53 TRP CB C 74 32.120 32.120 32.127 -0.007 18332
2257 1 7 . 1 1 53 53 TRP H H 74 9.301 9.301 9.118 0.183 18332
2258 1 7 . 1 1 54 54 VAL HA H 75 4.424 4.424 4.741 -0.317 18332
2259 1 7 . 1 1 54 54 VAL C C 75 174.906 174.906 175.230 -0.324 18332
2260 1 7 . 1 1 54 54 VAL CA C 75 60.326 60.326 59.391 0.935 18332
2261 1 7 . 1 1 54 54 VAL CB C 75 34.985 34.985 34.985 0.000 18332
2262 1 7 . 1 1 55 55 SER N N 76 121.442 121.442 123.673 -2.231 18332
2263 1 7 . 1 1 55 55 SER HA H 76 4.427 4.427 4.749 -0.322 18332
2264 1 7 . 1 1 55 55 SER CA C 76 55.979 55.979 57.463 -1.484 18332
2265 1 7 . 1 1 55 55 SER CB C 76 62.223 62.223 63.387 -1.164 18332
2266 1 7 . 1 1 55 55 SER H H 76 7.855 7.855 8.250 -0.395 18332
2267 1 7 . 1 1 56 56 LEU N N 77 129.932 129.932 129.834 0.098 18332
2268 1 7 . 1 1 56 56 LEU HA H 77 3.829 3.829 4.056 -0.227 18332
2269 1 7 . 1 1 56 56 LEU CA C 77 58.257 58.257 58.659 -0.402 18332
2270 1 7 . 1 1 56 56 LEU CB C 77 41.844 41.844 41.598 0.246 18332
2271 1 7 . 1 1 56 56 LEU H H 77 8.256 8.256 9.134 -0.878 18332
2272 1 7 . 1 1 57 57 GLN N N 78 115.179 115.179 117.363 -2.184 18332
2273 1 7 . 1 1 57 57 GLN HA H 78 4.186 4.186 4.215 -0.029 18332
2274 1 7 . 1 1 57 57 GLN CA C 78 57.730 57.730 58.026 -0.297 18332
2275 1 7 . 1 1 57 57 GLN CB C 78 28.156 28.156 28.092 0.064 18332
2276 1 7 . 1 1 57 57 GLN H H 78 8.614 8.614 8.673 -0.059 18332
2277 1 7 . 1 1 58 58 ASP N N 79 116.803 116.803 117.025 -0.222 18332
2278 1 7 . 1 1 58 58 ASP HA H 79 4.901 4.901 4.776 0.125 18332
2279 1 7 . 1 1 58 58 ASP CA C 79 54.261 54.261 53.258 1.003 18332
2280 1 7 . 1 1 58 58 ASP CB C 79 43.008 43.008 42.151 0.856 18332
2281 1 7 . 1 1 58 58 ASP H H 79 7.486 7.486 7.700 -0.214 18332
2282 1 7 . 1 1 59 59 ILE N N 80 121.887 121.887 121.769 0.118 18332
2283 1 7 . 1 1 59 59 ILE HA H 80 4.344 4.344 3.967 0.377 18332
2284 1 7 . 1 1 59 59 ILE CA C 80 63.397 63.397 61.800 1.597 18332
2285 1 7 . 1 1 59 59 ILE CB C 80 38.796 38.796 36.148 2.648 18332
2286 1 7 . 1 1 59 59 ILE H H 80 7.278 7.278 7.611 -0.333 18332
2287 1 7 . 1 1 60 60 GLN N N 81 126.140 126.140 126.345 -0.205 18332
2288 1 7 . 1 1 60 60 GLN HA H 81 4.983 4.983 4.852 0.131 18332
2289 1 7 . 1 1 60 60 GLN CA C 81 54.165 54.165 54.125 0.040 18332
2290 1 7 . 1 1 60 60 GLN CB C 81 32.639 32.639 33.105 -0.466 18332
2291 1 7 . 1 1 60 60 GLN H H 81 8.318 8.318 8.351 -0.033 18332
2292 1 7 . 1 1 61 61 GLY N N 82 111.215 111.215 107.583 3.632 18332
2293 1 7 . 1 1 61 61 GLY CA C 82 45.844 45.844 45.015 0.829 18332
2294 1 7 . 1 1 61 61 GLY H H 82 8.484 8.484 8.154 0.330 18332
2295 1 7 . 1 1 62 62 LYS N N 83 119.467 119.467 120.307 -0.840 18332
2296 1 7 . 1 1 62 62 LYS HA H 83 3.986 3.986 4.417 -0.431 18332
2297 1 7 . 1 1 62 62 LYS CA C 83 56.248 56.248 54.575 1.673 18332
2298 1 7 . 1 1 62 62 LYS CB C 83 34.501 34.501 35.661 -1.160 18332
2299 1 7 . 1 1 62 62 LYS H H 83 7.669 7.669 8.004 -0.335 18332
2300 1 7 . 1 1 63 63 ASP N N 84 124.240 124.240 121.749 2.491 18332
2301 1 7 . 1 1 63 63 ASP HA H 84 4.181 4.181 4.233 -0.052 18332
2302 1 7 . 1 1 63 63 ASP CA C 84 56.029 56.029 56.840 -0.811 18332
2303 1 7 . 1 1 63 63 ASP CB C 84 39.258 39.258 40.237 -0.979 18332
2304 1 7 . 1 1 63 63 ASP H H 84 9.052 9.052 8.700 0.352 18332
2305 1 7 . 1 1 64 64 ASP N N 85 110.367 110.367 116.868 -6.501 18332
2306 1 7 . 1 1 64 64 ASP HA H 85 4.240 4.240 4.569 -0.329 18332
2307 1 7 . 1 1 64 64 ASP CA C 85 56.115 56.115 53.782 2.333 18332
2308 1 7 . 1 1 64 64 ASP CB C 85 40.468 40.468 42.771 -2.303 18332
2309 1 7 . 1 1 64 64 ASP H H 85 8.261 8.261 8.305 -0.044 18332
2310 1 7 . 1 1 65 65 LYS N N 86 119.587 119.587 121.397 -1.810 18332
2311 1 7 . 1 1 65 65 LYS HA H 86 5.352 5.352 5.443 -0.091 18332
2312 1 7 . 1 1 65 65 LYS CA C 86 55.218 55.218 55.312 -0.094 18332
2313 1 7 . 1 1 65 65 LYS CB C 86 34.418 34.418 34.856 -0.438 18332
2314 1 7 . 1 1 65 65 LYS H H 86 7.460 7.460 7.752 -0.292 18332
2315 1 7 . 1 1 66 66 TRP N N 87 121.490 121.490 122.181 -0.691 18332
2316 1 7 . 1 1 66 66 TRP HA H 87 5.307 5.307 5.143 0.164 18332
2317 1 7 . 1 1 66 66 TRP C C 87 175.839 175.839 175.420 0.419 18332
2318 1 7 . 1 1 66 66 TRP CA C 87 55.834 55.834 56.201 -0.367 18332
2319 1 7 . 1 1 66 66 TRP CB C 87 34.217 34.217 33.817 0.400 18332
2320 1 7 . 1 1 66 66 TRP H H 87 8.903 8.903 9.271 -0.368 18332
2321 1 7 . 1 1 67 67 SER N N 88 118.488 118.488 115.766 2.722 18332
2322 1 7 . 1 1 67 67 SER HA H 88 5.236 5.236 5.600 -0.364 18332
2323 1 7 . 1 1 67 67 SER CA C 88 57.197 57.197 56.658 0.539 18332
2324 1 7 . 1 1 67 67 SER CB C 88 63.945 63.945 64.805 -0.860 18332
2325 1 7 . 1 1 67 67 SER H H 88 9.382 9.382 9.537 -0.155 18332
2326 1 7 . 1 1 68 68 VAL N N 89 127.693 127.693 127.639 0.054 18332
2327 1 7 . 1 1 68 68 VAL HA H 89 4.620 4.620 4.461 0.159 18332
2328 1 7 . 1 1 68 68 VAL CA C 89 59.246 59.246 59.477 -0.231 18332
2329 1 7 . 1 1 68 68 VAL CB C 89 35.649 35.649 32.747 2.902 18332
2330 1 7 . 1 1 68 68 VAL H H 89 9.360 9.360 8.970 0.390 18332
2331 1 7 . 1 1 69 69 PRO HA H 90 4.077 4.077 4.431 -0.354 18332
2332 1 7 . 1 1 69 69 PRO C C 90 174.726 174.726 175.207 -0.481 18332
2333 1 7 . 1 1 69 69 PRO CA C 90 61.967 61.967 62.563 -0.596 18332
2334 1 7 . 1 1 69 69 PRO CB C 90 31.095 31.095 31.903 -0.808 18332
2335 1 7 . 1 1 70 70 LEU N N 91 126.522 126.522 125.833 0.689 18332
2336 1 7 . 1 1 70 70 LEU HA H 91 4.818 4.818 4.316 0.502 18332
2337 1 7 . 1 1 70 70 LEU C C 91 173.906 173.906 176.883 -2.977 18332
2338 1 7 . 1 1 70 70 LEU CA C 91 53.978 53.978 53.730 0.248 18332
2339 1 7 . 1 1 70 70 LEU CB C 91 46.386 46.386 41.134 5.252 18332
2340 1 7 . 1 1 70 70 LEU H H 91 8.767 8.767 8.473 0.294 18332
2341 1 7 . 1 1 71 71 THR HA H 92 5.105 5.105 4.363 0.742 18332
2342 1 7 . 1 1 71 71 THR H H 92 9.034 9.034 8.799 0.235 18332
2343 1 7 . 1 1 72 72 VAL HA H 93 4.532 4.532 5.169 -0.637 18332
2344 1 7 . 1 1 72 72 VAL CA C 93 61.333 61.333 60.281 1.052 18332
2345 1 7 . 1 1 72 72 VAL CB C 93 33.826 33.826 35.023 -1.197 18332
2346 1 7 . 1 1 73 73 ARG N N 94 126.565 126.565 128.096 -1.531 18332
2347 1 7 . 1 1 73 73 ARG HA H 94 4.900 4.900 4.479 0.421 18332
2348 1 7 . 1 1 73 73 ARG CA C 94 55.931 55.931 55.931 -0.000 18332
2349 1 7 . 1 1 73 73 ARG CB C 94 31.104 31.104 30.410 0.694 18332
2350 1 7 . 1 1 73 73 ARG H H 94 8.833 8.833 8.900 -0.067 18332
2351 1 7 . 1 1 74 74 GLY N N 95 112.938 112.938 110.957 1.981 18332
2352 1 7 . 1 1 74 74 GLY CA C 95 44.454 44.454 45.105 -0.652 18332
2353 1 7 . 1 1 74 74 GLY H H 95 8.562 8.562 8.049 0.513 18332
2354 1 7 . 1 1 75 75 LYS N N 96 119.229 119.229 119.731 -0.502 18332
2355 1 7 . 1 1 75 75 LYS HA H 96 4.243 4.243 4.372 -0.129 18332
2356 1 7 . 1 1 75 75 LYS CA C 96 59.295 59.295 57.548 1.747 18332
2357 1 7 . 1 1 75 75 LYS CB C 96 32.597 32.597 32.542 0.055 18332
2358 1 7 . 1 1 75 75 LYS H H 96 8.074 8.074 8.502 -0.428 18332
2359 1 7 . 1 1 76 76 SER N N 97 111.880 111.880 115.571 -3.691 18332
2360 1 7 . 1 1 76 76 SER HA H 97 4.625 4.625 4.488 0.137 18332
2361 1 7 . 1 1 76 76 SER CA C 97 58.593 58.593 57.784 0.809 18332
2362 1 7 . 1 1 76 76 SER CB C 97 64.106 64.106 63.853 0.253 18332
2363 1 7 . 1 1 76 76 SER H H 97 8.828 8.828 8.040 0.788 18332
2364 1 7 . 1 1 77 77 ALA N N 98 122.995 122.995 124.715 -1.720 18332
2365 1 7 . 1 1 77 77 ALA HA H 98 4.121 4.121 4.579 -0.458 18332
2366 1 7 . 1 1 77 77 ALA CA C 98 51.218 51.218 51.384 -0.166 18332
2367 1 7 . 1 1 77 77 ALA CB C 98 21.866 21.866 19.980 1.887 18332
2368 1 7 . 1 1 77 77 ALA H H 98 7.341 7.341 7.472 -0.131 18332
2369 1 7 . 1 1 78 78 ASP N N 99 115.649 115.649 122.656 -7.007 18332
2370 1 7 . 1 1 78 78 ASP HA H 99 5.435 5.435 4.774 0.661 18332
2371 1 7 . 1 1 78 78 ASP CA C 99 52.144 52.144 53.181 -1.037 18332
2372 1 7 . 1 1 78 78 ASP CB C 99 43.392 43.392 42.586 0.806 18332
2373 1 7 . 1 1 78 78 ASP H H 99 8.206 8.206 8.494 -0.288 18332
2374 1 7 . 1 1 79 79 ILE N N 100 120.032 120.032 117.653 2.379 18332
2375 1 7 . 1 1 79 79 ILE HA H 100 4.177 4.177 4.549 -0.372 18332
2376 1 7 . 1 1 79 79 ILE CA C 100 60.560 60.560 60.066 0.494 18332
2377 1 7 . 1 1 79 79 ILE CB C 100 41.095 41.095 36.230 4.864 18332
2378 1 7 . 1 1 79 79 ILE H H 100 9.039 9.039 8.153 0.886 18332
2379 1 7 . 1 1 83 83 VAL HA H 104 4.779 4.779 4.710 0.069 18332
2380 1 7 . 1 1 83 83 VAL CA C 104 61.192 61.192 61.528 -0.336 18332
2381 1 7 . 1 1 83 83 VAL CB C 104 31.896 31.896 33.276 -1.380 18332
2382 1 7 . 1 1 84 84 SER N N 105 124.376 124.376 121.731 2.645 18332
2383 1 7 . 1 1 84 84 SER HA H 105 5.393 5.393 5.323 0.070 18332
2384 1 7 . 1 1 84 84 SER CA C 105 56.419 56.419 56.508 -0.089 18332
2385 1 7 . 1 1 84 84 SER CB C 105 63.496 63.496 63.969 -0.473 18332
2386 1 7 . 1 1 84 84 SER H H 105 8.973 8.973 8.579 0.394 18332
2387 1 7 . 1 1 85 85 VAL N N 106 127.349 127.349 129.640 -2.291 18332
2388 1 7 . 1 1 85 85 VAL HA H 106 4.090 4.090 4.430 -0.340 18332
2389 1 7 . 1 1 85 85 VAL CA C 106 61.843 61.843 61.733 0.110 18332
2390 1 7 . 1 1 85 85 VAL CB C 106 34.995 34.995 33.841 1.154 18332
2391 1 7 . 1 1 85 85 VAL H H 106 9.254 9.254 9.285 -0.031 18332
2392 1 7 . 1 1 86 86 ASP N N 107 126.522 126.522 128.044 -1.522 18332
2393 1 7 . 1 1 86 86 ASP HA H 107 5.149 5.149 5.058 0.091 18332
2394 1 7 . 1 1 86 86 ASP CA C 107 52.528 52.528 53.994 -1.466 18332
2395 1 7 . 1 1 86 86 ASP CB C 107 41.694 41.694 41.481 0.213 18332
2396 1 7 . 1 1 86 86 ASP H H 107 8.877 8.877 8.672 0.205 18332
2397 1 7 . 1 1 87 87 CYS N N 108 120.863 120.863 125.872 -5.009 18332
2398 1 7 . 1 1 87 87 CYS HA H 108 4.828 4.828 4.376 0.452 18332
2399 1 7 . 1 1 87 87 CYS CA C 108 57.070 57.070 61.438 -4.368 18332
2400 1 7 . 1 1 87 87 CYS CB C 108 40.994 40.994 27.716 13.278 18332
2401 1 7 . 1 1 87 87 CYS H H 108 8.989 8.989 9.226 -0.237 18332
2402 1 7 . 1 1 88 88 LYS N N 109 118.800 118.800 119.827 -1.027 18332
2403 1 7 . 1 1 88 88 LYS HA H 109 4.384 4.384 4.171 0.213 18332
2404 1 7 . 1 1 88 88 LYS CA C 109 58.418 58.418 58.340 0.078 18332
2405 1 7 . 1 1 88 88 LYS CB C 109 32.625 32.625 32.143 0.482 18332
2406 1 7 . 1 1 88 88 LYS H H 109 8.374 8.374 9.044 -0.670 18332
2407 1 7 . 1 1 89 89 ALA N N 110 119.495 119.495 118.686 0.809 18332
2408 1 7 . 1 1 89 89 ALA HA H 110 4.285 4.285 4.349 -0.064 18332
2409 1 7 . 1 1 89 89 ALA CA C 110 52.221 52.221 52.184 0.037 18332
2410 1 7 . 1 1 89 89 ALA CB C 110 19.837 19.837 20.057 -0.220 18332
2411 1 7 . 1 1 89 89 ALA H H 110 7.777 7.777 7.551 0.226 18332
2412 1 7 . 1 1 90 90 GLY N N 111 107.111 107.111 105.995 1.116 18332
2413 1 7 . 1 1 90 90 GLY CA C 111 47.745 47.745 45.455 2.290 18332
2414 1 7 . 1 1 90 90 GLY H H 111 8.084 8.084 7.620 0.464 18332
2415 1 7 . 1 1 91 91 MET N N 112 118.682 118.682 117.915 0.767 18332
2416 1 7 . 1 1 91 91 MET HA H 112 5.426 5.426 4.625 0.801 18332
2417 1 7 . 1 1 91 91 MET CA C 112 53.755 53.755 53.968 -0.212 18332
2418 1 7 . 1 1 91 91 MET CB C 112 37.293 37.293 37.074 0.219 18332
2419 1 7 . 1 1 91 91 MET H H 112 7.731 7.731 7.805 -0.074 18332
2420 1 7 . 1 1 92 92 ALA N N 113 123.295 123.295 121.667 1.628 18332
2421 1 7 . 1 1 92 92 ALA HA H 113 5.297 5.297 5.334 -0.037 18332
2422 1 7 . 1 1 92 92 ALA CA C 113 50.306 50.306 51.608 -1.302 18332
2423 1 7 . 1 1 92 92 ALA CB C 113 23.342 23.342 21.605 1.738 18332
2424 1 7 . 1 1 92 92 ALA H H 113 9.225 9.225 8.358 0.867 18332
2425 1 7 . 1 1 93 93 GLU N N 114 120.553 120.553 124.979 -4.426 18332
2426 1 7 . 1 1 93 93 GLU HA H 114 5.348 5.348 4.593 0.755 18332
2427 1 7 . 1 1 93 93 GLU CA C 114 54.721 54.721 55.623 -0.902 18332
2428 1 7 . 1 1 93 93 GLU CB C 114 32.530 32.530 30.708 1.822 18332
2429 1 7 . 1 1 93 93 GLU H H 114 8.840 8.840 8.978 -0.138 18332
2430 1 8 . 1 1 2 2 ASN CA C 23 53.576 53.576 53.129 0.447 18332
2431 1 8 . 1 1 2 2 ASN CB C 23 38.913 38.913 38.081 0.832 18332
2432 1 8 . 1 1 3 3 ASN N N 24 119.074 119.074 122.594 -3.520 18332
2433 1 8 . 1 1 3 3 ASN C C 24 175.201 175.201 173.805 1.396 18332
2434 1 8 . 1 1 3 3 ASN CA C 24 53.609 53.609 53.661 -0.052 18332
2435 1 8 . 1 1 3 3 ASN CB C 24 38.885 38.885 39.806 -0.921 18332
2436 1 8 . 1 1 3 3 ASN H H 24 8.546 8.546 8.434 0.112 18332
2437 1 8 . 1 1 4 4 GLU N N 25 120.681 120.681 125.034 -4.353 18332
2438 1 8 . 1 1 4 4 GLU HA H 25 4.512 4.512 4.451 0.061 18332
2439 1 8 . 1 1 4 4 GLU C C 25 176.957 176.957 175.700 1.257 18332
2440 1 8 . 1 1 4 4 GLU CA C 25 57.107 57.107 56.517 0.590 18332
2441 1 8 . 1 1 4 4 GLU CB C 25 30.502 30.502 30.037 0.465 18332
2442 1 8 . 1 1 4 4 GLU H H 25 8.431 8.431 8.553 -0.122 18332
2443 1 8 . 1 1 5 5 THR N N 26 113.493 113.493 117.792 -4.299 18332
2444 1 8 . 1 1 5 5 THR HA H 26 4.332 4.332 4.560 -0.228 18332
2445 1 8 . 1 1 5 5 THR C C 26 174.268 174.268 173.419 0.849 18332
2446 1 8 . 1 1 5 5 THR CA C 26 61.970 61.970 62.435 -0.465 18332
2447 1 8 . 1 1 5 5 THR CB C 26 70.089 70.089 69.546 0.543 18332
2448 1 8 . 1 1 5 5 THR H H 26 8.198 8.198 8.433 -0.235 18332
2449 1 8 . 1 1 6 6 SER N N 27 117.653 117.653 122.366 -4.713 18332
2450 1 8 . 1 1 6 6 SER HA H 27 5.077 5.077 4.659 0.418 18332
2451 1 8 . 1 1 6 6 SER C C 27 174.087 174.087 174.447 -0.360 18332
2452 1 8 . 1 1 6 6 SER CA C 27 57.821 57.821 58.390 -0.569 18332
2453 1 8 . 1 1 6 6 SER CB C 27 64.827 64.827 64.299 0.528 18332
2454 1 8 . 1 1 6 6 SER H H 27 8.180 8.180 8.408 -0.228 18332
2455 1 8 . 1 1 8 8 SER HA H 29 5.455 5.455 4.551 0.904 18332
2456 1 8 . 1 1 8 8 SER C C 29 174.725 174.725 174.045 0.680 18332
2457 1 8 . 1 1 8 8 SER CA C 29 57.885 57.885 58.347 -0.462 18332
2458 1 8 . 1 1 8 8 SER CB C 29 63.990 63.990 62.864 1.125 18332
2459 1 8 . 1 1 9 9 VAL N N 30 118.961 118.961 125.378 -6.417 18332
2460 1 8 . 1 1 9 9 VAL HA H 30 5.002 5.002 4.303 0.699 18332
2461 1 8 . 1 1 9 9 VAL C C 30 175.300 175.300 174.285 1.015 18332
2462 1 8 . 1 1 9 9 VAL CA C 30 58.828 58.828 62.336 -3.508 18332
2463 1 8 . 1 1 9 9 VAL CB C 30 36.058 36.058 34.567 1.491 18332
2464 1 8 . 1 1 9 9 VAL H H 30 9.435 9.435 8.123 1.312 18332
2465 1 8 . 1 1 10 10 THR N N 31 116.623 116.623 122.967 -6.344 18332
2466 1 8 . 1 1 10 10 THR HA H 31 4.726 4.726 4.661 0.065 18332
2467 1 8 . 1 1 10 10 THR C C 31 173.102 173.102 173.476 -0.374 18332
2468 1 8 . 1 1 10 10 THR CA C 31 63.291 63.291 62.068 1.223 18332
2469 1 8 . 1 1 10 10 THR CB C 31 69.490 69.490 69.515 -0.025 18332
2470 1 8 . 1 1 10 10 THR H H 31 8.284 8.284 8.208 0.076 18332
2471 1 8 . 1 1 11 11 PHE N N 32 129.214 129.214 122.103 7.111 18332
2472 1 8 . 1 1 11 11 PHE HA H 32 4.167 4.167 4.992 -0.825 18332
2473 1 8 . 1 1 11 11 PHE C C 32 172.082 172.082 172.821 -0.739 18332
2474 1 8 . 1 1 11 11 PHE CA C 32 55.403 55.403 54.318 1.085 18332
2475 1 8 . 1 1 11 11 PHE CB C 32 39.318 39.318 39.701 -0.383 18332
2476 1 8 . 1 1 11 11 PHE H H 32 8.029 8.029 7.807 0.222 18332
2477 1 8 . 1 1 12 12 PRO HA H 33 4.130 4.130 4.821 -0.691 18332
2478 1 8 . 1 1 12 12 PRO CA C 33 62.885 62.885 62.480 0.405 18332
2479 1 8 . 1 1 12 12 PRO CB C 33 31.435 31.435 32.316 -0.881 18332
2480 1 8 . 1 1 13 13 LYS N N 34 120.291 120.291 122.966 -2.675 18332
2481 1 8 . 1 1 13 13 LYS HA H 34 4.172 4.172 4.350 -0.178 18332
2482 1 8 . 1 1 13 13 LYS CA C 34 58.877 58.877 58.364 0.513 18332
2483 1 8 . 1 1 13 13 LYS CB C 34 31.852 31.852 33.683 -1.831 18332
2484 1 8 . 1 1 13 13 LYS H H 34 7.980 7.980 8.741 -0.761 18332
2485 1 8 . 1 1 14 14 CYS N N 35 116.206 116.206 116.082 0.124 18332
2486 1 8 . 1 1 14 14 CYS HA H 35 5.081 5.081 4.960 0.121 18332
2487 1 8 . 1 1 14 14 CYS CA C 35 54.045 54.045 56.641 -2.595 18332
2488 1 8 . 1 1 14 14 CYS CB C 35 40.904 40.904 28.128 12.776 18332
2489 1 8 . 1 1 14 14 CYS H H 35 8.056 8.056 8.172 -0.116 18332
2490 1 8 . 1 1 15 15 GLU N N 36 122.110 122.110 124.050 -1.940 18332
2491 1 8 . 1 1 15 15 GLU HA H 36 4.017 4.017 4.175 -0.158 18332
2492 1 8 . 1 1 15 15 GLU CA C 36 59.377 59.377 58.595 0.782 18332
2493 1 8 . 1 1 15 15 GLU CB C 36 29.852 29.852 29.764 0.088 18332
2494 1 8 . 1 1 15 15 GLU H H 36 8.949 8.949 8.717 0.232 18332
2495 1 8 . 1 1 16 16 ASP N N 37 115.460 115.460 118.854 -3.394 18332
2496 1 8 . 1 1 16 16 ASP HA H 37 4.586 4.586 4.753 -0.167 18332
2497 1 8 . 1 1 16 16 ASP CA C 37 54.947 54.947 54.106 0.841 18332
2498 1 8 . 1 1 16 16 ASP CB C 37 40.051 40.051 41.335 -1.284 18332
2499 1 8 . 1 1 16 16 ASP H H 37 8.947 8.947 8.269 0.678 18332
2500 1 8 . 1 1 17 17 LEU N N 38 119.514 119.514 121.769 -2.255 18332
2501 1 8 . 1 1 17 17 LEU HA H 38 4.550 4.550 4.279 0.271 18332
2502 1 8 . 1 1 17 17 LEU CA C 38 54.800 54.800 55.537 -0.737 18332
2503 1 8 . 1 1 17 17 LEU CB C 38 43.291 43.291 42.737 0.554 18332
2504 1 8 . 1 1 17 17 LEU H H 38 7.468 7.468 7.552 -0.084 18332
2505 1 8 . 1 1 18 18 ASP N N 39 118.819 118.819 120.586 -1.767 18332
2506 1 8 . 1 1 18 18 ASP HA H 39 4.831 4.831 4.935 -0.104 18332
2507 1 8 . 1 1 18 18 ASP CA C 39 51.261 51.261 53.198 -1.937 18332
2508 1 8 . 1 1 18 18 ASP CB C 39 41.863 41.863 43.280 -1.417 18332
2509 1 8 . 1 1 18 18 ASP H H 39 7.645 7.645 8.139 -0.494 18332
2510 1 8 . 1 1 19 19 ALA N N 40 120.945 120.945 122.118 -1.173 18332
2511 1 8 . 1 1 19 19 ALA HA H 40 3.202 3.202 3.159 0.043 18332
2512 1 8 . 1 1 19 19 ALA CA C 40 55.690 55.690 55.067 0.623 18332
2513 1 8 . 1 1 19 19 ALA CB C 40 18.317 18.317 18.529 -0.212 18332
2514 1 8 . 1 1 19 19 ALA H H 40 8.457 8.457 8.569 -0.112 18332
2515 1 8 . 1 1 20 20 ALA N N 41 117.582 117.582 120.357 -2.775 18332
2516 1 8 . 1 1 20 20 ALA HA H 41 3.921 3.921 4.028 -0.107 18332
2517 1 8 . 1 1 20 20 ALA CA C 41 55.042 55.042 54.876 0.166 18332
2518 1 8 . 1 1 20 20 ALA CB C 41 17.773 17.773 18.129 -0.356 18332
2519 1 8 . 1 1 20 20 ALA H H 41 7.944 7.944 8.273 -0.329 18332
2520 1 8 . 1 1 21 21 GLY N N 42 109.614 109.614 107.251 2.363 18332
2521 1 8 . 1 1 21 21 GLY CA C 42 47.069 47.069 46.641 0.429 18332
2522 1 8 . 1 1 21 21 GLY H H 42 8.278 8.278 7.669 0.609 18332
2523 1 8 . 1 1 22 22 ILE N N 43 126.734 126.734 123.489 3.245 18332
2524 1 8 . 1 1 22 22 ILE HA H 43 3.731 3.731 3.486 0.245 18332
2525 1 8 . 1 1 22 22 ILE CA C 43 61.614 61.614 63.577 -1.963 18332
2526 1 8 . 1 1 22 22 ILE CB C 43 35.840 35.840 36.848 -1.008 18332
2527 1 8 . 1 1 22 22 ILE H H 43 8.631 8.631 8.191 0.440 18332
2528 1 8 . 1 1 23 23 ALA N N 44 123.871 123.871 122.324 1.547 18332
2529 1 8 . 1 1 23 23 ALA HA H 44 3.676 3.676 3.811 -0.135 18332
2530 1 8 . 1 1 23 23 ALA CA C 44 55.788 55.788 55.557 0.231 18332
2531 1 8 . 1 1 23 23 ALA CB C 44 18.707 18.707 17.890 0.817 18332
2532 1 8 . 1 1 23 23 ALA H H 44 8.347 8.347 7.997 0.350 18332
2533 1 8 . 1 1 24 24 ALA N N 45 117.860 117.860 120.004 -2.144 18332
2534 1 8 . 1 1 24 24 ALA HA H 45 4.047 4.047 3.990 0.057 18332
2535 1 8 . 1 1 24 24 ALA CA C 45 55.068 55.068 54.962 0.106 18332
2536 1 8 . 1 1 24 24 ALA CB C 45 18.177 18.177 18.015 0.162 18332
2537 1 8 . 1 1 24 24 ALA H H 45 7.593 7.593 7.661 -0.068 18332
2538 1 8 . 1 1 25 25 SER N N 46 115.177 115.177 114.568 0.609 18332
2539 1 8 . 1 1 25 25 SER HA H 46 4.103 4.103 4.270 -0.167 18332
2540 1 8 . 1 1 25 25 SER CA C 46 62.044 62.044 61.162 0.882 18332
2541 1 8 . 1 1 25 25 SER CB C 46 63.061 63.061 63.357 -0.296 18332
2542 1 8 . 1 1 25 25 SER H H 46 8.086 8.086 8.040 0.046 18332
2543 1 8 . 1 1 26 26 VAL N N 47 123.762 123.762 122.714 1.048 18332
2544 1 8 . 1 1 26 26 VAL HA H 47 3.831 3.831 4.029 -0.198 18332
2545 1 8 . 1 1 26 26 VAL CA C 47 67.401 67.401 64.503 2.898 18332
2546 1 8 . 1 1 26 26 VAL CB C 47 31.775 31.775 31.310 0.465 18332
2547 1 8 . 1 1 26 26 VAL H H 47 8.733 8.733 8.498 0.235 18332
2548 1 8 . 1 1 27 27 LYS N N 48 118.412 118.412 120.304 -1.892 18332
2549 1 8 . 1 1 27 27 LYS HA H 48 3.729 3.729 4.085 -0.356 18332
2550 1 8 . 1 1 27 27 LYS CA C 48 61.242 61.242 60.529 0.713 18332
2551 1 8 . 1 1 27 27 LYS CB C 48 32.696 32.696 32.053 0.643 18332
2552 1 8 . 1 1 27 27 LYS H H 48 7.931 7.931 8.300 -0.369 18332
2553 1 8 . 1 1 28 28 ARG N N 49 116.894 116.894 119.823 -2.929 18332
2554 1 8 . 1 1 28 28 ARG HA H 49 4.123 4.123 4.194 -0.071 18332
2555 1 8 . 1 1 28 28 ARG CA C 49 59.414 59.414 59.152 0.262 18332
2556 1 8 . 1 1 28 28 ARG CB C 49 30.338 30.338 29.995 0.343 18332
2557 1 8 . 1 1 28 28 ARG H H 49 7.941 7.941 8.083 -0.142 18332
2558 1 8 . 1 1 29 29 ASP N N 50 119.598 119.598 119.275 0.323 18332
2559 1 8 . 1 1 29 29 ASP HA H 50 4.161 4.161 4.349 -0.188 18332
2560 1 8 . 1 1 29 29 ASP CA C 50 58.581 58.581 57.271 1.310 18332
2561 1 8 . 1 1 29 29 ASP CB C 50 43.769 43.769 40.584 3.185 18332
2562 1 8 . 1 1 29 29 ASP H H 50 8.250 8.250 8.025 0.225 18332
2563 1 8 . 1 1 30 30 TYR N N 51 119.757 119.757 117.752 2.005 18332
2564 1 8 . 1 1 30 30 TYR CA C 51 62.615 62.615 60.772 1.843 18332
2565 1 8 . 1 1 30 30 TYR CB C 51 38.668 38.668 38.311 0.357 18332
2566 1 8 . 1 1 30 30 TYR H H 51 8.680 8.680 7.459 1.221 18332
2567 1 8 . 1 1 31 31 GLN N N 52 115.572 115.572 118.231 -2.659 18332
2568 1 8 . 1 1 31 31 GLN HA H 52 4.126 4.126 3.996 0.130 18332
2569 1 8 . 1 1 31 31 GLN C C 52 178.235 178.235 177.534 0.701 18332
2570 1 8 . 1 1 31 31 GLN CA C 52 59.256 59.256 58.503 0.753 18332
2571 1 8 . 1 1 31 31 GLN H H 52 8.287 8.287 8.237 0.050 18332
2572 1 8 . 1 1 32 32 GLN N N 53 114.416 114.416 117.489 -3.073 18332
2573 1 8 . 1 1 32 32 GLN C C 53 177.224 177.224 176.348 0.876 18332
2574 1 8 . 1 1 32 32 GLN CA C 53 57.673 57.673 56.832 0.841 18332
2575 1 8 . 1 1 32 32 GLN CB C 53 29.425 29.425 28.707 0.718 18332
2576 1 8 . 1 1 32 32 GLN H H 53 8.848 8.848 7.876 0.972 18332
2577 1 8 . 1 1 45 45 VAL HA H 66 4.239 4.239 3.984 0.255 18332
2578 1 8 . 1 1 45 45 VAL CA C 66 63.712 63.712 63.189 0.523 18332
2579 1 8 . 1 1 45 45 VAL CB C 66 32.252 32.252 32.084 0.168 18332
2580 1 8 . 1 1 46 46 GLY N N 67 108.542 108.542 105.591 2.951 18332
2581 1 8 . 1 1 46 46 GLY CA C 67 45.910 45.910 44.491 1.419 18332
2582 1 8 . 1 1 46 46 GLY H H 67 8.027 8.027 7.515 0.512 18332
2583 1 8 . 1 1 50 50 PRO HA H 71 4.129 4.129 4.359 -0.230 18332
2584 1 8 . 1 1 50 50 PRO C C 71 176.009 176.009 176.157 -0.148 18332
2585 1 8 . 1 1 50 50 PRO CA C 71 62.889 62.889 63.020 -0.131 18332
2586 1 8 . 1 1 50 50 PRO CB C 71 32.769 32.769 32.119 0.650 18332
2587 1 8 . 1 1 51 51 VAL N N 72 123.129 123.129 122.847 0.282 18332
2588 1 8 . 1 1 51 51 VAL HA H 72 4.166 4.166 4.263 -0.097 18332
2589 1 8 . 1 1 51 51 VAL C C 72 174.364 174.364 175.840 -1.476 18332
2590 1 8 . 1 1 51 51 VAL CA C 72 62.794 62.794 61.144 1.650 18332
2591 1 8 . 1 1 51 51 VAL CB C 72 32.947 32.947 32.846 0.101 18332
2592 1 8 . 1 1 51 51 VAL H H 72 8.537 8.537 8.384 0.153 18332
2593 1 8 . 1 1 52 52 ALA N N 73 128.689 128.689 128.678 0.011 18332
2594 1 8 . 1 1 52 52 ALA HA H 73 5.437 5.437 5.223 0.214 18332
2595 1 8 . 1 1 52 52 ALA C C 73 176.104 176.104 177.031 -0.927 18332
2596 1 8 . 1 1 52 52 ALA CA C 73 50.307 50.307 51.106 -0.799 18332
2597 1 8 . 1 1 52 52 ALA CB C 73 21.672 21.672 20.367 1.305 18332
2598 1 8 . 1 1 52 52 ALA H H 73 8.272 8.272 8.324 -0.052 18332
2599 1 8 . 1 1 53 53 TRP N N 74 122.550 122.550 121.677 0.873 18332
2600 1 8 . 1 1 53 53 TRP HA H 74 4.890 4.890 5.071 -0.181 18332
2601 1 8 . 1 1 53 53 TRP C C 74 174.515 174.515 173.569 0.946 18332
2602 1 8 . 1 1 53 53 TRP CA C 74 56.883 56.883 55.676 1.207 18332
2603 1 8 . 1 1 53 53 TRP CB C 74 32.120 32.120 31.160 0.960 18332
2604 1 8 . 1 1 53 53 TRP H H 74 9.301 9.301 8.983 0.318 18332
2605 1 8 . 1 1 54 54 VAL HA H 75 4.424 4.424 4.425 -0.001 18332
2606 1 8 . 1 1 54 54 VAL C C 75 174.906 174.906 175.363 -0.457 18332
2607 1 8 . 1 1 54 54 VAL CA C 75 60.326 60.326 59.877 0.449 18332
2608 1 8 . 1 1 54 54 VAL CB C 75 34.985 34.985 33.843 1.142 18332
2609 1 8 . 1 1 55 55 SER N N 76 121.442 121.442 122.172 -0.730 18332
2610 1 8 . 1 1 55 55 SER HA H 76 4.427 4.427 4.784 -0.357 18332
2611 1 8 . 1 1 55 55 SER CA C 76 55.979 55.979 57.334 -1.355 18332
2612 1 8 . 1 1 55 55 SER CB C 76 62.223 62.223 64.249 -2.026 18332
2613 1 8 . 1 1 55 55 SER H H 76 7.855 7.855 8.606 -0.751 18332
2614 1 8 . 1 1 56 56 LEU N N 77 129.932 129.932 128.922 1.010 18332
2615 1 8 . 1 1 56 56 LEU HA H 77 3.829 3.829 4.133 -0.304 18332
2616 1 8 . 1 1 56 56 LEU CA C 77 58.257 58.257 58.359 -0.102 18332
2617 1 8 . 1 1 56 56 LEU CB C 77 41.844 41.844 41.768 0.076 18332
2618 1 8 . 1 1 56 56 LEU H H 77 8.256 8.256 9.054 -0.798 18332
2619 1 8 . 1 1 57 57 GLN N N 78 115.179 115.179 115.339 -0.160 18332
2620 1 8 . 1 1 57 57 GLN HA H 78 4.186 4.186 4.177 0.009 18332
2621 1 8 . 1 1 57 57 GLN CA C 78 57.730 57.730 58.062 -0.333 18332
2622 1 8 . 1 1 57 57 GLN CB C 78 28.156 28.156 28.301 -0.145 18332
2623 1 8 . 1 1 57 57 GLN H H 78 8.614 8.614 8.624 -0.010 18332
2624 1 8 . 1 1 58 58 ASP N N 79 116.803 116.803 116.174 0.629 18332
2625 1 8 . 1 1 58 58 ASP HA H 79 4.901 4.901 4.687 0.214 18332
2626 1 8 . 1 1 58 58 ASP CA C 79 54.261 54.261 54.770 -0.509 18332
2627 1 8 . 1 1 58 58 ASP CB C 79 43.008 43.008 41.705 1.303 18332
2628 1 8 . 1 1 58 58 ASP H H 79 7.486 7.486 7.724 -0.238 18332
2629 1 8 . 1 1 59 59 ILE N N 80 121.887 121.887 121.242 0.645 18332
2630 1 8 . 1 1 59 59 ILE HA H 80 4.344 4.344 3.952 0.392 18332
2631 1 8 . 1 1 59 59 ILE CA C 80 63.397 63.397 61.347 2.050 18332
2632 1 8 . 1 1 59 59 ILE CB C 80 38.796 38.796 36.125 2.671 18332
2633 1 8 . 1 1 59 59 ILE H H 80 7.278 7.278 7.542 -0.264 18332
2634 1 8 . 1 1 60 60 GLN N N 81 126.140 126.140 127.892 -1.752 18332
2635 1 8 . 1 1 60 60 GLN HA H 81 4.983 4.983 4.795 0.188 18332
2636 1 8 . 1 1 60 60 GLN CA C 81 54.165 54.165 53.773 0.392 18332
2637 1 8 . 1 1 60 60 GLN CB C 81 32.639 32.639 31.963 0.676 18332
2638 1 8 . 1 1 60 60 GLN H H 81 8.318 8.318 8.274 0.044 18332
2639 1 8 . 1 1 61 61 GLY N N 82 111.215 111.215 107.535 3.680 18332
2640 1 8 . 1 1 61 61 GLY CA C 82 45.844 45.844 44.777 1.067 18332
2641 1 8 . 1 1 61 61 GLY H H 82 8.484 8.484 8.267 0.217 18332
2642 1 8 . 1 1 62 62 LYS N N 83 119.467 119.467 120.193 -0.726 18332
2643 1 8 . 1 1 62 62 LYS HA H 83 3.986 3.986 4.406 -0.420 18332
2644 1 8 . 1 1 62 62 LYS CA C 83 56.248 56.248 54.550 1.698 18332
2645 1 8 . 1 1 62 62 LYS CB C 83 34.501 34.501 34.803 -0.302 18332
2646 1 8 . 1 1 62 62 LYS H H 83 7.669 7.669 8.067 -0.398 18332
2647 1 8 . 1 1 63 63 ASP N N 84 124.240 124.240 124.653 -0.413 18332
2648 1 8 . 1 1 63 63 ASP HA H 84 4.181 4.181 4.217 -0.036 18332
2649 1 8 . 1 1 63 63 ASP CA C 84 56.029 56.029 57.340 -1.311 18332
2650 1 8 . 1 1 63 63 ASP CB C 84 39.258 39.258 40.546 -1.288 18332
2651 1 8 . 1 1 63 63 ASP H H 84 9.052 9.052 8.941 0.111 18332
2652 1 8 . 1 1 64 64 ASP N N 85 110.367 110.367 114.156 -3.789 18332
2653 1 8 . 1 1 64 64 ASP HA H 85 4.240 4.240 4.794 -0.554 18332
2654 1 8 . 1 1 64 64 ASP CA C 85 56.115 56.115 53.964 2.151 18332
2655 1 8 . 1 1 64 64 ASP CB C 85 40.468 40.468 42.655 -2.187 18332
2656 1 8 . 1 1 64 64 ASP H H 85 8.261 8.261 8.280 -0.019 18332
2657 1 8 . 1 1 65 65 LYS N N 86 119.587 119.587 121.525 -1.938 18332
2658 1 8 . 1 1 65 65 LYS HA H 86 5.352 5.352 5.392 -0.040 18332
2659 1 8 . 1 1 65 65 LYS CA C 86 55.218 55.218 55.347 -0.129 18332
2660 1 8 . 1 1 65 65 LYS CB C 86 34.418 34.418 34.570 -0.152 18332
2661 1 8 . 1 1 65 65 LYS H H 86 7.460 7.460 7.612 -0.152 18332
2662 1 8 . 1 1 66 66 TRP N N 87 121.490 121.490 124.451 -2.961 18332
2663 1 8 . 1 1 66 66 TRP HA H 87 5.307 5.307 5.366 -0.059 18332
2664 1 8 . 1 1 66 66 TRP C C 87 175.839 175.839 175.292 0.547 18332
2665 1 8 . 1 1 66 66 TRP CA C 87 55.834 55.834 56.030 -0.196 18332
2666 1 8 . 1 1 66 66 TRP CB C 87 34.217 34.217 33.823 0.394 18332
2667 1 8 . 1 1 66 66 TRP H H 87 8.903 8.903 9.243 -0.340 18332
2668 1 8 . 1 1 67 67 SER N N 88 118.488 118.488 115.409 3.079 18332
2669 1 8 . 1 1 67 67 SER HA H 88 5.236 5.236 5.716 -0.480 18332
2670 1 8 . 1 1 67 67 SER CA C 88 57.197 57.197 56.345 0.852 18332
2671 1 8 . 1 1 67 67 SER CB C 88 63.945 63.945 65.012 -1.067 18332
2672 1 8 . 1 1 67 67 SER H H 88 9.382 9.382 9.539 -0.157 18332
2673 1 8 . 1 1 68 68 VAL N N 89 127.693 127.693 126.763 0.930 18332
2674 1 8 . 1 1 68 68 VAL HA H 89 4.620 4.620 4.526 0.094 18332
2675 1 8 . 1 1 68 68 VAL CA C 89 59.246 59.246 59.148 0.097 18332
2676 1 8 . 1 1 68 68 VAL CB C 89 35.649 35.649 33.168 2.481 18332
2677 1 8 . 1 1 68 68 VAL H H 89 9.360 9.360 8.689 0.671 18332
2678 1 8 . 1 1 69 69 PRO HA H 90 4.077 4.077 4.424 -0.347 18332
2679 1 8 . 1 1 69 69 PRO C C 90 174.726 174.726 175.057 -0.331 18332
2680 1 8 . 1 1 69 69 PRO CA C 90 61.967 61.967 62.663 -0.696 18332
2681 1 8 . 1 1 69 69 PRO CB C 90 31.095 31.095 31.855 -0.760 18332
2682 1 8 . 1 1 70 70 LEU N N 91 126.522 126.522 126.781 -0.259 18332
2683 1 8 . 1 1 70 70 LEU HA H 91 4.818 4.818 4.420 0.398 18332
2684 1 8 . 1 1 70 70 LEU C C 91 173.906 173.906 176.201 -2.295 18332
2685 1 8 . 1 1 70 70 LEU CA C 91 53.978 53.978 54.436 -0.458 18332
2686 1 8 . 1 1 70 70 LEU CB C 91 46.386 46.386 43.092 3.294 18332
2687 1 8 . 1 1 70 70 LEU H H 91 8.767 8.767 8.336 0.431 18332
2688 1 8 . 1 1 71 71 THR HA H 92 5.105 5.105 4.388 0.717 18332
2689 1 8 . 1 1 71 71 THR H H 92 9.034 9.034 8.319 0.715 18332
2690 1 8 . 1 1 72 72 VAL HA H 93 4.532 4.532 4.738 -0.206 18332
2691 1 8 . 1 1 72 72 VAL CA C 93 61.333 61.333 60.738 0.595 18332
2692 1 8 . 1 1 72 72 VAL CB C 93 33.826 33.826 33.536 0.290 18332
2693 1 8 . 1 1 73 73 ARG N N 94 126.565 126.565 128.552 -1.987 18332
2694 1 8 . 1 1 73 73 ARG HA H 94 4.900 4.900 4.501 0.399 18332
2695 1 8 . 1 1 73 73 ARG CA C 94 55.931 55.931 56.279 -0.347 18332
2696 1 8 . 1 1 73 73 ARG CB C 94 31.104 31.104 29.785 1.319 18332
2697 1 8 . 1 1 73 73 ARG H H 94 8.833 8.833 8.307 0.526 18332
2698 1 8 . 1 1 74 74 GLY N N 95 112.938 112.938 110.123 2.815 18332
2699 1 8 . 1 1 74 74 GLY CA C 95 44.454 44.454 44.665 -0.211 18332
2700 1 8 . 1 1 74 74 GLY H H 95 8.562 8.562 7.892 0.670 18332
2701 1 8 . 1 1 75 75 LYS N N 96 119.229 119.229 119.625 -0.396 18332
2702 1 8 . 1 1 75 75 LYS HA H 96 4.243 4.243 4.405 -0.162 18332
2703 1 8 . 1 1 75 75 LYS CA C 96 59.295 59.295 56.889 2.406 18332
2704 1 8 . 1 1 75 75 LYS CB C 96 32.597 32.597 32.980 -0.383 18332
2705 1 8 . 1 1 75 75 LYS H H 96 8.074 8.074 8.265 -0.191 18332
2706 1 8 . 1 1 76 76 SER N N 97 111.880 111.880 114.144 -2.264 18332
2707 1 8 . 1 1 76 76 SER HA H 97 4.625 4.625 4.457 0.169 18332
2708 1 8 . 1 1 76 76 SER CA C 97 58.593 58.593 57.654 0.939 18332
2709 1 8 . 1 1 76 76 SER CB C 97 64.106 64.106 63.486 0.621 18332
2710 1 8 . 1 1 76 76 SER H H 97 8.828 8.828 7.952 0.876 18332
2711 1 8 . 1 1 77 77 ALA N N 98 122.995 122.995 123.423 -0.428 18332
2712 1 8 . 1 1 77 77 ALA HA H 98 4.121 4.121 4.590 -0.469 18332
2713 1 8 . 1 1 77 77 ALA CA C 98 51.218 51.218 51.595 -0.377 18332
2714 1 8 . 1 1 77 77 ALA CB C 98 21.866 21.866 20.662 1.204 18332
2715 1 8 . 1 1 77 77 ALA H H 98 7.341 7.341 7.405 -0.064 18332
2716 1 8 . 1 1 78 78 ASP N N 99 115.649 115.649 120.461 -4.812 18332
2717 1 8 . 1 1 78 78 ASP HA H 99 5.435 5.435 4.778 0.657 18332
2718 1 8 . 1 1 78 78 ASP CA C 99 52.144 52.144 54.263 -2.119 18332
2719 1 8 . 1 1 78 78 ASP CB C 99 43.392 43.392 43.738 -0.346 18332
2720 1 8 . 1 1 78 78 ASP H H 99 8.206 8.206 8.384 -0.178 18332
2721 1 8 . 1 1 79 79 ILE N N 100 120.032 120.032 117.462 2.570 18332
2722 1 8 . 1 1 79 79 ILE HA H 100 4.177 4.177 4.646 -0.469 18332
2723 1 8 . 1 1 79 79 ILE CA C 100 60.560 60.560 59.637 0.923 18332
2724 1 8 . 1 1 79 79 ILE CB C 100 41.095 41.095 38.324 2.771 18332
2725 1 8 . 1 1 79 79 ILE H H 100 9.039 9.039 8.328 0.711 18332
2726 1 8 . 1 1 83 83 VAL HA H 104 4.779 4.779 4.904 -0.125 18332
2727 1 8 . 1 1 83 83 VAL CA C 104 61.192 61.192 62.352 -1.160 18332
2728 1 8 . 1 1 83 83 VAL CB C 104 31.896 31.896 33.063 -1.167 18332
2729 1 8 . 1 1 84 84 SER N N 105 124.376 124.376 122.979 1.397 18332
2730 1 8 . 1 1 84 84 SER HA H 105 5.393 5.393 5.286 0.107 18332
2731 1 8 . 1 1 84 84 SER CA C 105 56.419 56.419 57.692 -1.273 18332
2732 1 8 . 1 1 84 84 SER CB C 105 63.496 63.496 64.398 -0.902 18332
2733 1 8 . 1 1 84 84 SER H H 105 8.973 8.973 9.239 -0.266 18332
2734 1 8 . 1 1 85 85 VAL N N 106 127.349 127.349 127.605 -0.256 18332
2735 1 8 . 1 1 85 85 VAL HA H 106 4.090 4.090 4.471 -0.381 18332
2736 1 8 . 1 1 85 85 VAL CA C 106 61.843 61.843 61.797 0.046 18332
2737 1 8 . 1 1 85 85 VAL CB C 106 34.995 34.995 33.576 1.419 18332
2738 1 8 . 1 1 85 85 VAL H H 106 9.254 9.254 9.281 -0.027 18332
2739 1 8 . 1 1 86 86 ASP N N 107 126.522 126.522 128.286 -1.764 18332
2740 1 8 . 1 1 86 86 ASP HA H 107 5.149 5.149 5.121 0.028 18332
2741 1 8 . 1 1 86 86 ASP CA C 107 52.528 52.528 54.180 -1.652 18332
2742 1 8 . 1 1 86 86 ASP CB C 107 41.694 41.694 42.155 -0.461 18332
2743 1 8 . 1 1 86 86 ASP H H 107 8.877 8.877 8.867 0.010 18332
2744 1 8 . 1 1 87 87 CYS N N 108 120.863 120.863 126.336 -5.473 18332
2745 1 8 . 1 1 87 87 CYS HA H 108 4.828 4.828 4.375 0.453 18332
2746 1 8 . 1 1 87 87 CYS CA C 108 57.070 57.070 61.127 -4.056 18332
2747 1 8 . 1 1 87 87 CYS CB C 108 40.994 40.994 27.769 13.225 18332
2748 1 8 . 1 1 87 87 CYS H H 108 8.989 8.989 9.351 -0.362 18332
2749 1 8 . 1 1 88 88 LYS N N 109 118.800 118.800 120.031 -1.231 18332
2750 1 8 . 1 1 88 88 LYS HA H 109 4.384 4.384 4.176 0.208 18332
2751 1 8 . 1 1 88 88 LYS CA C 109 58.418 58.418 58.487 -0.069 18332
2752 1 8 . 1 1 88 88 LYS CB C 109 32.625 32.625 31.781 0.844 18332
2753 1 8 . 1 1 88 88 LYS H H 109 8.374 8.374 8.534 -0.160 18332
2754 1 8 . 1 1 89 89 ALA N N 110 119.495 119.495 119.370 0.125 18332
2755 1 8 . 1 1 89 89 ALA HA H 110 4.285 4.285 4.468 -0.183 18332
2756 1 8 . 1 1 89 89 ALA CA C 110 52.221 52.221 52.010 0.211 18332
2757 1 8 . 1 1 89 89 ALA CB C 110 19.837 19.837 19.540 0.297 18332
2758 1 8 . 1 1 89 89 ALA H H 110 7.777 7.777 7.960 -0.183 18332
2759 1 8 . 1 1 90 90 GLY N N 111 107.111 107.111 107.559 -0.448 18332
2760 1 8 . 1 1 90 90 GLY CA C 111 47.745 47.745 45.103 2.642 18332
2761 1 8 . 1 1 90 90 GLY H H 111 8.084 8.084 7.730 0.354 18332
2762 1 8 . 1 1 91 91 MET N N 112 118.682 118.682 117.992 0.690 18332
2763 1 8 . 1 1 91 91 MET HA H 112 5.426 5.426 4.743 0.683 18332
2764 1 8 . 1 1 91 91 MET CA C 112 53.755 53.755 54.173 -0.418 18332
2765 1 8 . 1 1 91 91 MET CB C 112 37.293 37.293 36.598 0.695 18332
2766 1 8 . 1 1 91 91 MET H H 112 7.731 7.731 7.847 -0.116 18332
2767 1 8 . 1 1 92 92 ALA N N 113 123.295 123.295 122.911 0.384 18332
2768 1 8 . 1 1 92 92 ALA HA H 113 5.297 5.297 5.535 -0.238 18332
2769 1 8 . 1 1 92 92 ALA CA C 113 50.306 50.306 51.551 -1.245 18332
2770 1 8 . 1 1 92 92 ALA CB C 113 23.342 23.342 21.441 1.901 18332
2771 1 8 . 1 1 92 92 ALA H H 113 9.225 9.225 8.481 0.744 18332
2772 1 8 . 1 1 93 93 GLU N N 114 120.553 120.553 125.769 -5.216 18332
2773 1 8 . 1 1 93 93 GLU HA H 114 5.348 5.348 4.651 0.697 18332
2774 1 8 . 1 1 93 93 GLU CA C 114 54.721 54.721 55.126 -0.405 18332
2775 1 8 . 1 1 93 93 GLU CB C 114 32.530 32.530 30.900 1.630 18332
2776 1 8 . 1 1 93 93 GLU H H 114 8.840 8.840 8.818 0.022 18332
2777 1 9 . 1 1 2 2 ASN CA C 23 53.576 53.576 55.109 -1.533 18332
2778 1 9 . 1 1 2 2 ASN CB C 23 38.913 38.913 38.546 0.367 18332
2779 1 9 . 1 1 3 3 ASN N N 24 119.074 119.074 116.705 2.369 18332
2780 1 9 . 1 1 3 3 ASN C C 24 175.201 175.201 175.230 -0.029 18332
2781 1 9 . 1 1 3 3 ASN CA C 24 53.609 53.609 53.750 -0.141 18332
2782 1 9 . 1 1 3 3 ASN CB C 24 38.885 38.885 38.691 0.193 18332
2783 1 9 . 1 1 3 3 ASN H H 24 8.546 8.546 8.549 -0.003 18332
2784 1 9 . 1 1 4 4 GLU N N 25 120.681 120.681 118.693 1.988 18332
2785 1 9 . 1 1 4 4 GLU HA H 25 4.512 4.512 4.326 0.186 18332
2786 1 9 . 1 1 4 4 GLU C C 25 176.957 176.957 178.005 -1.048 18332
2787 1 9 . 1 1 4 4 GLU CA C 25 57.107 57.107 58.880 -1.773 18332
2788 1 9 . 1 1 4 4 GLU CB C 25 30.502 30.502 28.826 1.676 18332
2789 1 9 . 1 1 4 4 GLU H H 25 8.431 8.431 8.116 0.315 18332
2790 1 9 . 1 1 5 5 THR N N 26 113.493 113.493 115.878 -2.385 18332
2791 1 9 . 1 1 5 5 THR HA H 26 4.332 4.332 4.188 0.144 18332
2792 1 9 . 1 1 5 5 THR C C 26 174.268 174.268 174.966 -0.698 18332
2793 1 9 . 1 1 5 5 THR CA C 26 61.970 61.970 64.010 -2.039 18332
2794 1 9 . 1 1 5 5 THR CB C 26 70.089 70.089 68.569 1.520 18332
2795 1 9 . 1 1 5 5 THR H H 26 8.198 8.198 8.354 -0.156 18332
2796 1 9 . 1 1 6 6 SER N N 27 117.653 117.653 117.918 -0.265 18332
2797 1 9 . 1 1 6 6 SER HA H 27 5.077 5.077 4.552 0.525 18332
2798 1 9 . 1 1 6 6 SER C C 27 174.087 174.087 173.826 0.261 18332
2799 1 9 . 1 1 6 6 SER CA C 27 57.821 57.821 58.353 -0.533 18332
2800 1 9 . 1 1 6 6 SER CB C 27 64.827 64.827 63.186 1.641 18332
2801 1 9 . 1 1 6 6 SER H H 27 8.180 8.180 8.286 -0.106 18332
2802 1 9 . 1 1 8 8 SER HA H 29 5.455 5.455 4.550 0.905 18332
2803 1 9 . 1 1 8 8 SER C C 29 174.725 174.725 173.808 0.917 18332
2804 1 9 . 1 1 8 8 SER CA C 29 57.885 57.885 58.258 -0.373 18332
2805 1 9 . 1 1 8 8 SER CB C 29 63.990 63.990 63.121 0.869 18332
2806 1 9 . 1 1 9 9 VAL N N 30 118.961 118.961 126.615 -7.654 18332
2807 1 9 . 1 1 9 9 VAL HA H 30 5.002 5.002 4.393 0.609 18332
2808 1 9 . 1 1 9 9 VAL C C 30 175.300 175.300 174.351 0.949 18332
2809 1 9 . 1 1 9 9 VAL CA C 30 58.828 58.828 61.943 -3.115 18332
2810 1 9 . 1 1 9 9 VAL CB C 30 36.058 36.058 34.447 1.611 18332
2811 1 9 . 1 1 9 9 VAL H H 30 9.435 9.435 8.242 1.193 18332
2812 1 9 . 1 1 10 10 THR N N 31 116.623 116.623 120.871 -4.248 18332
2813 1 9 . 1 1 10 10 THR HA H 31 4.726 4.726 4.669 0.057 18332
2814 1 9 . 1 1 10 10 THR C C 31 173.102 173.102 173.381 -0.279 18332
2815 1 9 . 1 1 10 10 THR CA C 31 63.291 63.291 61.798 1.493 18332
2816 1 9 . 1 1 10 10 THR CB C 31 69.490 69.490 69.533 -0.043 18332
2817 1 9 . 1 1 10 10 THR H H 31 8.284 8.284 8.216 0.068 18332
2818 1 9 . 1 1 11 11 PHE N N 32 129.214 129.214 123.511 5.703 18332
2819 1 9 . 1 1 11 11 PHE HA H 32 4.167 4.167 5.032 -0.865 18332
2820 1 9 . 1 1 11 11 PHE C C 32 172.082 172.082 173.008 -0.926 18332
2821 1 9 . 1 1 11 11 PHE CA C 32 55.403 55.403 54.183 1.220 18332
2822 1 9 . 1 1 11 11 PHE CB C 32 39.318 39.318 39.835 -0.517 18332
2823 1 9 . 1 1 11 11 PHE H H 32 8.029 8.029 8.216 -0.187 18332
2824 1 9 . 1 1 12 12 PRO HA H 33 4.130 4.130 4.833 -0.703 18332
2825 1 9 . 1 1 12 12 PRO CA C 33 62.885 62.885 62.464 0.421 18332
2826 1 9 . 1 1 12 12 PRO CB C 33 31.435 31.435 32.579 -1.144 18332
2827 1 9 . 1 1 13 13 LYS N N 34 120.291 120.291 121.968 -1.677 18332
2828 1 9 . 1 1 13 13 LYS HA H 34 4.172 4.172 4.423 -0.251 18332
2829 1 9 . 1 1 13 13 LYS CA C 34 58.877 58.877 58.790 0.087 18332
2830 1 9 . 1 1 13 13 LYS CB C 34 31.852 31.852 33.793 -1.941 18332
2831 1 9 . 1 1 13 13 LYS H H 34 7.980 7.980 8.521 -0.541 18332
2832 1 9 . 1 1 14 14 CYS N N 35 116.206 116.206 116.420 -0.214 18332
2833 1 9 . 1 1 14 14 CYS HA H 35 5.081 5.081 4.941 0.140 18332
2834 1 9 . 1 1 14 14 CYS CA C 35 54.045 54.045 56.677 -2.632 18332
2835 1 9 . 1 1 14 14 CYS CB C 35 40.904 40.904 27.897 13.007 18332
2836 1 9 . 1 1 14 14 CYS H H 35 8.056 8.056 8.166 -0.110 18332
2837 1 9 . 1 1 15 15 GLU N N 36 122.110 122.110 122.201 -0.091 18332
2838 1 9 . 1 1 15 15 GLU HA H 36 4.017 4.017 4.166 -0.149 18332
2839 1 9 . 1 1 15 15 GLU CA C 36 59.377 59.377 58.646 0.731 18332
2840 1 9 . 1 1 15 15 GLU CB C 36 29.852 29.852 29.855 -0.003 18332
2841 1 9 . 1 1 15 15 GLU H H 36 8.949 8.949 8.752 0.197 18332
2842 1 9 . 1 1 16 16 ASP N N 37 115.460 115.460 118.758 -3.298 18332
2843 1 9 . 1 1 16 16 ASP HA H 37 4.586 4.586 4.684 -0.098 18332
2844 1 9 . 1 1 16 16 ASP CA C 37 54.947 54.947 54.164 0.783 18332
2845 1 9 . 1 1 16 16 ASP CB C 37 40.051 40.051 41.273 -1.222 18332
2846 1 9 . 1 1 16 16 ASP H H 37 8.947 8.947 8.231 0.716 18332
2847 1 9 . 1 1 17 17 LEU N N 38 119.514 119.514 121.710 -2.196 18332
2848 1 9 . 1 1 17 17 LEU HA H 38 4.550 4.550 4.246 0.304 18332
2849 1 9 . 1 1 17 17 LEU CA C 38 54.800 54.800 55.451 -0.651 18332
2850 1 9 . 1 1 17 17 LEU CB C 38 43.291 43.291 42.720 0.571 18332
2851 1 9 . 1 1 17 17 LEU H H 38 7.468 7.468 7.556 -0.088 18332
2852 1 9 . 1 1 18 18 ASP N N 39 118.819 118.819 121.498 -2.679 18332
2853 1 9 . 1 1 18 18 ASP HA H 39 4.831 4.831 4.832 -0.001 18332
2854 1 9 . 1 1 18 18 ASP CA C 39 51.261 51.261 53.108 -1.847 18332
2855 1 9 . 1 1 18 18 ASP CB C 39 41.863 41.863 43.734 -1.871 18332
2856 1 9 . 1 1 18 18 ASP H H 39 7.645 7.645 8.082 -0.437 18332
2857 1 9 . 1 1 19 19 ALA N N 40 120.945 120.945 122.101 -1.156 18332
2858 1 9 . 1 1 19 19 ALA HA H 40 3.202 3.202 3.337 -0.135 18332
2859 1 9 . 1 1 19 19 ALA CA C 40 55.690 55.690 55.085 0.605 18332
2860 1 9 . 1 1 19 19 ALA CB C 40 18.317 18.317 18.654 -0.338 18332
2861 1 9 . 1 1 19 19 ALA H H 40 8.457 8.457 8.601 -0.144 18332
2862 1 9 . 1 1 20 20 ALA N N 41 117.582 117.582 120.297 -2.715 18332
2863 1 9 . 1 1 20 20 ALA HA H 41 3.921 3.921 4.011 -0.090 18332
2864 1 9 . 1 1 20 20 ALA CA C 41 55.042 55.042 54.880 0.162 18332
2865 1 9 . 1 1 20 20 ALA CB C 41 17.773 17.773 18.125 -0.352 18332
2866 1 9 . 1 1 20 20 ALA H H 41 7.944 7.944 8.296 -0.352 18332
2867 1 9 . 1 1 21 21 GLY N N 42 109.614 109.614 107.191 2.423 18332
2868 1 9 . 1 1 21 21 GLY CA C 42 47.069 47.069 46.567 0.502 18332
2869 1 9 . 1 1 21 21 GLY H H 42 8.278 8.278 7.558 0.720 18332
2870 1 9 . 1 1 22 22 ILE N N 43 126.734 126.734 123.598 3.136 18332
2871 1 9 . 1 1 22 22 ILE HA H 43 3.731 3.731 3.493 0.238 18332
2872 1 9 . 1 1 22 22 ILE CA C 43 61.614 61.614 63.473 -1.859 18332
2873 1 9 . 1 1 22 22 ILE CB C 43 35.840 35.840 36.848 -1.008 18332
2874 1 9 . 1 1 22 22 ILE H H 43 8.631 8.631 8.142 0.489 18332
2875 1 9 . 1 1 23 23 ALA N N 44 123.871 123.871 121.520 2.351 18332
2876 1 9 . 1 1 23 23 ALA HA H 44 3.676 3.676 3.862 -0.186 18332
2877 1 9 . 1 1 23 23 ALA CA C 44 55.788 55.788 55.548 0.240 18332
2878 1 9 . 1 1 23 23 ALA CB C 44 18.707 18.707 17.751 0.956 18332
2879 1 9 . 1 1 23 23 ALA H H 44 8.347 8.347 8.043 0.304 18332
2880 1 9 . 1 1 24 24 ALA N N 45 117.860 117.860 119.845 -1.985 18332
2881 1 9 . 1 1 24 24 ALA HA H 45 4.047 4.047 3.933 0.114 18332
2882 1 9 . 1 1 24 24 ALA CA C 45 55.068 55.068 54.926 0.142 18332
2883 1 9 . 1 1 24 24 ALA CB C 45 18.177 18.177 17.895 0.282 18332
2884 1 9 . 1 1 24 24 ALA H H 45 7.593 7.593 7.674 -0.081 18332
2885 1 9 . 1 1 25 25 SER N N 46 115.177 115.177 114.498 0.679 18332
2886 1 9 . 1 1 25 25 SER HA H 46 4.103 4.103 4.317 -0.214 18332
2887 1 9 . 1 1 25 25 SER CA C 46 62.044 62.044 61.371 0.673 18332
2888 1 9 . 1 1 25 25 SER CB C 46 63.061 63.061 63.350 -0.289 18332
2889 1 9 . 1 1 25 25 SER H H 46 8.086 8.086 7.926 0.160 18332
2890 1 9 . 1 1 26 26 VAL N N 47 123.762 123.762 122.360 1.402 18332
2891 1 9 . 1 1 26 26 VAL HA H 47 3.831 3.831 3.712 0.119 18332
2892 1 9 . 1 1 26 26 VAL CA C 47 67.401 67.401 64.953 2.448 18332
2893 1 9 . 1 1 26 26 VAL CB C 47 31.775 31.775 31.797 -0.022 18332
2894 1 9 . 1 1 26 26 VAL H H 47 8.733 8.733 8.388 0.345 18332
2895 1 9 . 1 1 27 27 LYS N N 48 118.412 118.412 120.234 -1.822 18332
2896 1 9 . 1 1 27 27 LYS HA H 48 3.729 3.729 4.085 -0.356 18332
2897 1 9 . 1 1 27 27 LYS CA C 48 61.242 61.242 60.537 0.705 18332
2898 1 9 . 1 1 27 27 LYS CB C 48 32.696 32.696 32.095 0.601 18332
2899 1 9 . 1 1 27 27 LYS H H 48 7.931 7.931 8.427 -0.496 18332
2900 1 9 . 1 1 28 28 ARG N N 49 116.894 116.894 120.252 -3.358 18332
2901 1 9 . 1 1 28 28 ARG HA H 49 4.123 4.123 4.205 -0.082 18332
2902 1 9 . 1 1 28 28 ARG CA C 49 59.414 59.414 59.758 -0.344 18332
2903 1 9 . 1 1 28 28 ARG CB C 49 30.338 30.338 30.156 0.182 18332
2904 1 9 . 1 1 28 28 ARG H H 49 7.941 7.941 8.309 -0.368 18332
2905 1 9 . 1 1 29 29 ASP N N 50 119.598 119.598 118.668 0.930 18332
2906 1 9 . 1 1 29 29 ASP HA H 50 4.161 4.161 4.408 -0.247 18332
2907 1 9 . 1 1 29 29 ASP CA C 50 58.581 58.581 57.958 0.623 18332
2908 1 9 . 1 1 29 29 ASP CB C 50 43.769 43.769 40.654 3.115 18332
2909 1 9 . 1 1 29 29 ASP H H 50 8.250 8.250 8.078 0.172 18332
2910 1 9 . 1 1 30 30 TYR N N 51 119.757 119.757 117.736 2.021 18332
2911 1 9 . 1 1 30 30 TYR CA C 51 62.615 62.615 61.229 1.386 18332
2912 1 9 . 1 1 30 30 TYR CB C 51 38.668 38.668 38.238 0.430 18332
2913 1 9 . 1 1 30 30 TYR H H 51 8.680 8.680 7.370 1.310 18332
2914 1 9 . 1 1 31 31 GLN N N 52 115.572 115.572 119.113 -3.541 18332
2915 1 9 . 1 1 31 31 GLN HA H 52 4.126 4.126 3.915 0.211 18332
2916 1 9 . 1 1 31 31 GLN C C 52 178.235 178.235 177.995 0.240 18332
2917 1 9 . 1 1 31 31 GLN CA C 52 59.256 59.256 59.223 0.033 18332
2918 1 9 . 1 1 31 31 GLN H H 52 8.287 8.287 8.760 -0.473 18332
2919 1 9 . 1 1 32 32 GLN N N 53 114.416 114.416 119.675 -5.259 18332
2920 1 9 . 1 1 32 32 GLN C C 53 177.224 177.224 177.556 -0.332 18332
2921 1 9 . 1 1 32 32 GLN CA C 53 57.673 57.673 58.159 -0.486 18332
2922 1 9 . 1 1 32 32 GLN CB C 53 29.425 29.425 28.332 1.093 18332
2923 1 9 . 1 1 32 32 GLN H H 53 8.848 8.848 8.195 0.653 18332
2924 1 9 . 1 1 45 45 VAL HA H 66 4.239 4.239 4.193 0.046 18332
2925 1 9 . 1 1 45 45 VAL CA C 66 63.712 63.712 63.280 0.432 18332
2926 1 9 . 1 1 45 45 VAL CB C 66 32.252 32.252 32.678 -0.426 18332
2927 1 9 . 1 1 46 46 GLY N N 67 108.542 108.542 106.827 1.715 18332
2928 1 9 . 1 1 46 46 GLY CA C 67 45.910 45.910 45.544 0.366 18332
2929 1 9 . 1 1 46 46 GLY H H 67 8.027 8.027 7.598 0.429 18332
2930 1 9 . 1 1 50 50 PRO HA H 71 4.129 4.129 4.650 -0.521 18332
2931 1 9 . 1 1 50 50 PRO C C 71 176.009 176.009 176.310 -0.301 18332
2932 1 9 . 1 1 50 50 PRO CA C 71 62.889 62.889 61.536 1.353 18332
2933 1 9 . 1 1 50 50 PRO CB C 71 32.769 32.769 33.886 -1.117 18332
2934 1 9 . 1 1 51 51 VAL N N 72 123.129 123.129 121.500 1.629 18332
2935 1 9 . 1 1 51 51 VAL HA H 72 4.166 4.166 4.184 -0.018 18332
2936 1 9 . 1 1 51 51 VAL C C 72 174.364 174.364 175.610 -1.246 18332
2937 1 9 . 1 1 51 51 VAL CA C 72 62.794 62.794 61.669 1.125 18332
2938 1 9 . 1 1 51 51 VAL CB C 72 32.947 32.947 32.486 0.461 18332
2939 1 9 . 1 1 51 51 VAL H H 72 8.537 8.537 7.904 0.633 18332
2940 1 9 . 1 1 52 52 ALA N N 73 128.689 128.689 131.528 -2.839 18332
2941 1 9 . 1 1 52 52 ALA HA H 73 5.437 5.437 5.150 0.287 18332
2942 1 9 . 1 1 52 52 ALA C C 73 176.104 176.104 177.030 -0.926 18332
2943 1 9 . 1 1 52 52 ALA CA C 73 50.307 50.307 51.294 -0.987 18332
2944 1 9 . 1 1 52 52 ALA CB C 73 21.672 21.672 20.360 1.312 18332
2945 1 9 . 1 1 52 52 ALA H H 73 8.272 8.272 8.447 -0.175 18332
2946 1 9 . 1 1 53 53 TRP N N 74 122.550 122.550 122.241 0.309 18332
2947 1 9 . 1 1 53 53 TRP HA H 74 4.890 4.890 4.977 -0.087 18332
2948 1 9 . 1 1 53 53 TRP C C 74 174.515 174.515 173.487 1.028 18332
2949 1 9 . 1 1 53 53 TRP CA C 74 56.883 56.883 55.547 1.336 18332
2950 1 9 . 1 1 53 53 TRP CB C 74 32.120 32.120 31.151 0.969 18332
2951 1 9 . 1 1 53 53 TRP H H 74 9.301 9.301 8.632 0.669 18332
2952 1 9 . 1 1 54 54 VAL HA H 75 4.424 4.424 4.505 -0.081 18332
2953 1 9 . 1 1 54 54 VAL C C 75 174.906 174.906 175.268 -0.362 18332
2954 1 9 . 1 1 54 54 VAL CA C 75 60.326 60.326 59.795 0.531 18332
2955 1 9 . 1 1 54 54 VAL CB C 75 34.985 34.985 34.607 0.378 18332
2956 1 9 . 1 1 55 55 SER N N 76 121.442 121.442 123.898 -2.456 18332
2957 1 9 . 1 1 55 55 SER HA H 76 4.427 4.427 4.735 -0.308 18332
2958 1 9 . 1 1 55 55 SER CA C 76 55.979 55.979 57.291 -1.312 18332
2959 1 9 . 1 1 55 55 SER CB C 76 62.223 62.223 63.764 -1.541 18332
2960 1 9 . 1 1 55 55 SER H H 76 7.855 7.855 8.577 -0.722 18332
2961 1 9 . 1 1 56 56 LEU N N 77 129.932 129.932 129.508 0.424 18332
2962 1 9 . 1 1 56 56 LEU HA H 77 3.829 3.829 4.056 -0.227 18332
2963 1 9 . 1 1 56 56 LEU CA C 77 58.257 58.257 58.726 -0.469 18332
2964 1 9 . 1 1 56 56 LEU CB C 77 41.844 41.844 41.398 0.446 18332
2965 1 9 . 1 1 56 56 LEU H H 77 8.256 8.256 9.179 -0.923 18332
2966 1 9 . 1 1 57 57 GLN N N 78 115.179 115.179 114.897 0.282 18332
2967 1 9 . 1 1 57 57 GLN HA H 78 4.186 4.186 4.181 0.005 18332
2968 1 9 . 1 1 57 57 GLN CA C 78 57.730 57.730 57.981 -0.251 18332
2969 1 9 . 1 1 57 57 GLN CB C 78 28.156 28.156 27.949 0.207 18332
2970 1 9 . 1 1 57 57 GLN H H 78 8.614 8.614 8.536 0.078 18332
2971 1 9 . 1 1 58 58 ASP N N 79 116.803 116.803 116.074 0.729 18332
2972 1 9 . 1 1 58 58 ASP HA H 79 4.901 4.901 4.693 0.208 18332
2973 1 9 . 1 1 58 58 ASP CA C 79 54.261 54.261 53.506 0.755 18332
2974 1 9 . 1 1 58 58 ASP CB C 79 43.008 43.008 42.333 0.675 18332
2975 1 9 . 1 1 58 58 ASP H H 79 7.486 7.486 7.769 -0.283 18332
2976 1 9 . 1 1 59 59 ILE N N 80 121.887 121.887 121.647 0.240 18332
2977 1 9 . 1 1 59 59 ILE HA H 80 4.344 4.344 3.897 0.447 18332
2978 1 9 . 1 1 59 59 ILE CA C 80 63.397 63.397 61.804 1.593 18332
2979 1 9 . 1 1 59 59 ILE CB C 80 38.796 38.796 36.148 2.648 18332
2980 1 9 . 1 1 59 59 ILE H H 80 7.278 7.278 7.633 -0.355 18332
2981 1 9 . 1 1 60 60 GLN N N 81 126.140 126.140 127.268 -1.128 18332
2982 1 9 . 1 1 60 60 GLN HA H 81 4.983 4.983 4.786 0.197 18332
2983 1 9 . 1 1 60 60 GLN CA C 81 54.165 54.165 54.109 0.056 18332
2984 1 9 . 1 1 60 60 GLN CB C 81 32.639 32.639 32.566 0.073 18332
2985 1 9 . 1 1 60 60 GLN H H 81 8.318 8.318 8.350 -0.032 18332
2986 1 9 . 1 1 61 61 GLY N N 82 111.215 111.215 108.168 3.047 18332
2987 1 9 . 1 1 61 61 GLY CA C 82 45.844 45.844 44.692 1.152 18332
2988 1 9 . 1 1 61 61 GLY H H 82 8.484 8.484 8.328 0.156 18332
2989 1 9 . 1 1 62 62 LYS N N 83 119.467 119.467 120.622 -1.155 18332
2990 1 9 . 1 1 62 62 LYS HA H 83 3.986 3.986 4.307 -0.321 18332
2991 1 9 . 1 1 62 62 LYS CA C 83 56.248 56.248 54.684 1.564 18332
2992 1 9 . 1 1 62 62 LYS CB C 83 34.501 34.501 35.075 -0.574 18332
2993 1 9 . 1 1 62 62 LYS H H 83 7.669 7.669 7.973 -0.304 18332
2994 1 9 . 1 1 63 63 ASP N N 84 124.240 124.240 122.094 2.146 18332
2995 1 9 . 1 1 63 63 ASP HA H 84 4.181 4.181 4.229 -0.048 18332
2996 1 9 . 1 1 63 63 ASP CA C 84 56.029 56.029 56.783 -0.754 18332
2997 1 9 . 1 1 63 63 ASP CB C 84 39.258 39.258 40.309 -1.051 18332
2998 1 9 . 1 1 63 63 ASP H H 84 9.052 9.052 8.893 0.159 18332
2999 1 9 . 1 1 64 64 ASP N N 85 110.367 110.367 115.213 -4.846 18332
3000 1 9 . 1 1 64 64 ASP HA H 85 4.240 4.240 4.671 -0.431 18332
3001 1 9 . 1 1 64 64 ASP CA C 85 56.115 56.115 54.177 1.938 18332
3002 1 9 . 1 1 64 64 ASP CB C 85 40.468 40.468 43.051 -2.583 18332
3003 1 9 . 1 1 64 64 ASP H H 85 8.261 8.261 8.336 -0.075 18332
3004 1 9 . 1 1 65 65 LYS N N 86 119.587 119.587 121.640 -2.053 18332
3005 1 9 . 1 1 65 65 LYS HA H 86 5.352 5.352 5.609 -0.257 18332
3006 1 9 . 1 1 65 65 LYS CA C 86 55.218 55.218 55.403 -0.185 18332
3007 1 9 . 1 1 65 65 LYS CB C 86 34.418 34.418 34.827 -0.409 18332
3008 1 9 . 1 1 65 65 LYS H H 86 7.460 7.460 7.723 -0.263 18332
3009 1 9 . 1 1 66 66 TRP N N 87 121.490 121.490 124.323 -2.833 18332
3010 1 9 . 1 1 66 66 TRP HA H 87 5.307 5.307 5.176 0.131 18332
3011 1 9 . 1 1 66 66 TRP C C 87 175.839 175.839 175.728 0.111 18332
3012 1 9 . 1 1 66 66 TRP CA C 87 55.834 55.834 56.001 -0.167 18332
3013 1 9 . 1 1 66 66 TRP CB C 87 34.217 34.217 33.419 0.798 18332
3014 1 9 . 1 1 66 66 TRP H H 87 8.903 8.903 9.178 -0.276 18332
3015 1 9 . 1 1 67 67 SER N N 88 118.488 118.488 115.759 2.729 18332
3016 1 9 . 1 1 67 67 SER HA H 88 5.236 5.236 5.678 -0.442 18332
3017 1 9 . 1 1 67 67 SER CA C 88 57.197 57.197 56.552 0.645 18332
3018 1 9 . 1 1 67 67 SER CB C 88 63.945 63.945 65.343 -1.398 18332
3019 1 9 . 1 1 67 67 SER H H 88 9.382 9.382 9.478 -0.096 18332
3020 1 9 . 1 1 68 68 VAL N N 89 127.693 127.693 127.215 0.478 18332
3021 1 9 . 1 1 68 68 VAL HA H 89 4.620 4.620 4.453 0.167 18332
3022 1 9 . 1 1 68 68 VAL CA C 89 59.246 59.246 58.660 0.586 18332
3023 1 9 . 1 1 68 68 VAL CB C 89 35.649 35.649 31.581 4.068 18332
3024 1 9 . 1 1 68 68 VAL H H 89 9.360 9.360 8.103 1.257 18332
3025 1 9 . 1 1 69 69 PRO HA H 90 4.077 4.077 4.417 -0.340 18332
3026 1 9 . 1 1 69 69 PRO C C 90 174.726 174.726 176.316 -1.590 18332
3027 1 9 . 1 1 69 69 PRO CA C 90 61.967 61.967 62.641 -0.673 18332
3028 1 9 . 1 1 69 69 PRO CB C 90 31.095 31.095 31.374 -0.279 18332
3029 1 9 . 1 1 70 70 LEU N N 91 126.522 126.522 122.574 3.948 18332
3030 1 9 . 1 1 70 70 LEU HA H 91 4.818 4.818 4.430 0.388 18332
3031 1 9 . 1 1 70 70 LEU C C 91 173.906 173.906 176.087 -2.181 18332
3032 1 9 . 1 1 70 70 LEU CA C 91 53.978 53.978 54.768 -0.790 18332
3033 1 9 . 1 1 70 70 LEU CB C 91 46.386 46.386 41.562 4.824 18332
3034 1 9 . 1 1 70 70 LEU H H 91 8.767 8.767 8.178 0.589 18332
3035 1 9 . 1 1 71 71 THR HA H 92 5.105 5.105 4.340 0.765 18332
3036 1 9 . 1 1 71 71 THR H H 92 9.034 9.034 8.166 0.868 18332
3037 1 9 . 1 1 72 72 VAL HA H 93 4.532 4.532 4.238 0.294 18332
3038 1 9 . 1 1 72 72 VAL CA C 93 61.333 61.333 61.091 0.242 18332
3039 1 9 . 1 1 72 72 VAL CB C 93 33.826 33.826 34.182 -0.356 18332
3040 1 9 . 1 1 73 73 ARG N N 94 126.565 126.565 127.400 -0.835 18332
3041 1 9 . 1 1 73 73 ARG HA H 94 4.900 4.900 4.487 0.413 18332
3042 1 9 . 1 1 73 73 ARG CA C 94 55.931 55.931 54.622 1.309 18332
3043 1 9 . 1 1 73 73 ARG CB C 94 31.104 31.104 29.508 1.596 18332
3044 1 9 . 1 1 73 73 ARG H H 94 8.833 8.833 9.037 -0.204 18332
3045 1 9 . 1 1 74 74 GLY N N 95 112.938 112.938 110.514 2.424 18332
3046 1 9 . 1 1 74 74 GLY CA C 95 44.454 44.454 45.027 -0.573 18332
3047 1 9 . 1 1 74 74 GLY H H 95 8.562 8.562 7.943 0.619 18332
3048 1 9 . 1 1 75 75 LYS N N 96 119.229 119.229 119.637 -0.408 18332
3049 1 9 . 1 1 75 75 LYS HA H 96 4.243 4.243 4.419 -0.176 18332
3050 1 9 . 1 1 75 75 LYS CA C 96 59.295 59.295 57.332 1.963 18332
3051 1 9 . 1 1 75 75 LYS CB C 96 32.597 32.597 32.471 0.126 18332
3052 1 9 . 1 1 75 75 LYS H H 96 8.074 8.074 8.570 -0.496 18332
3053 1 9 . 1 1 76 76 SER N N 97 111.880 111.880 114.630 -2.750 18332
3054 1 9 . 1 1 76 76 SER HA H 97 4.625 4.625 4.475 0.150 18332
3055 1 9 . 1 1 76 76 SER CA C 97 58.593 58.593 58.156 0.437 18332
3056 1 9 . 1 1 76 76 SER CB C 97 64.106 64.106 63.379 0.727 18332
3057 1 9 . 1 1 76 76 SER H H 97 8.828 8.828 8.126 0.702 18332
3058 1 9 . 1 1 77 77 ALA N N 98 122.995 122.995 124.251 -1.256 18332
3059 1 9 . 1 1 77 77 ALA HA H 98 4.121 4.121 4.533 -0.412 18332
3060 1 9 . 1 1 77 77 ALA CA C 98 51.218 51.218 51.766 -0.548 18332
3061 1 9 . 1 1 77 77 ALA CB C 98 21.866 21.866 19.924 1.942 18332
3062 1 9 . 1 1 77 77 ALA H H 98 7.341 7.341 7.600 -0.259 18332
3063 1 9 . 1 1 78 78 ASP N N 99 115.649 115.649 122.155 -6.506 18332
3064 1 9 . 1 1 78 78 ASP HA H 99 5.435 5.435 4.785 0.650 18332
3065 1 9 . 1 1 78 78 ASP CA C 99 52.144 52.144 54.034 -1.890 18332
3066 1 9 . 1 1 78 78 ASP CB C 99 43.392 43.392 44.060 -0.668 18332
3067 1 9 . 1 1 78 78 ASP H H 99 8.206 8.206 8.409 -0.203 18332
3068 1 9 . 1 1 79 79 ILE N N 100 120.032 120.032 120.253 -0.221 18332
3069 1 9 . 1 1 79 79 ILE HA H 100 4.177 4.177 4.448 -0.271 18332
3070 1 9 . 1 1 79 79 ILE CA C 100 60.560 60.560 60.488 0.072 18332
3071 1 9 . 1 1 79 79 ILE CB C 100 41.095 41.095 38.202 2.893 18332
3072 1 9 . 1 1 79 79 ILE H H 100 9.039 9.039 8.326 0.713 18332
3073 1 9 . 1 1 83 83 VAL HA H 104 4.779 4.779 4.470 0.309 18332
3074 1 9 . 1 1 83 83 VAL CA C 104 61.192 61.192 62.454 -1.262 18332
3075 1 9 . 1 1 83 83 VAL CB C 104 31.896 31.896 32.538 -0.641 18332
3076 1 9 . 1 1 84 84 SER N N 105 124.376 124.376 124.686 -0.310 18332
3077 1 9 . 1 1 84 84 SER HA H 105 5.393 5.393 5.330 0.063 18332
3078 1 9 . 1 1 84 84 SER CA C 105 56.419 56.419 57.131 -0.712 18332
3079 1 9 . 1 1 84 84 SER CB C 105 63.496 63.496 63.657 -0.161 18332
3080 1 9 . 1 1 84 84 SER H H 105 8.973 8.973 8.679 0.294 18332
3081 1 9 . 1 1 85 85 VAL N N 106 127.349 127.349 128.941 -1.592 18332
3082 1 9 . 1 1 85 85 VAL HA H 106 4.090 4.090 4.403 -0.313 18332
3083 1 9 . 1 1 85 85 VAL CA C 106 61.843 61.843 62.490 -0.647 18332
3084 1 9 . 1 1 85 85 VAL CB C 106 34.995 34.995 32.851 2.144 18332
3085 1 9 . 1 1 85 85 VAL H H 106 9.254 9.254 9.145 0.109 18332
3086 1 9 . 1 1 86 86 ASP N N 107 126.522 126.522 128.685 -2.163 18332
3087 1 9 . 1 1 86 86 ASP HA H 107 5.149 5.149 5.248 -0.099 18332
3088 1 9 . 1 1 86 86 ASP CA C 107 52.528 52.528 53.969 -1.441 18332
3089 1 9 . 1 1 86 86 ASP CB C 107 41.694 41.694 42.204 -0.510 18332
3090 1 9 . 1 1 86 86 ASP H H 107 8.877 8.877 8.682 0.195 18332
3091 1 9 . 1 1 87 87 CYS N N 108 120.863 120.863 126.126 -5.263 18332
3092 1 9 . 1 1 87 87 CYS HA H 108 4.828 4.828 4.369 0.459 18332
3093 1 9 . 1 1 87 87 CYS CA C 108 57.070 57.070 61.217 -4.147 18332
3094 1 9 . 1 1 87 87 CYS CB C 108 40.994 40.994 27.700 13.294 18332
3095 1 9 . 1 1 87 87 CYS H H 108 8.989 8.989 9.461 -0.472 18332
3096 1 9 . 1 1 88 88 LYS N N 109 118.800 118.800 120.225 -1.425 18332
3097 1 9 . 1 1 88 88 LYS HA H 109 4.384 4.384 4.171 0.213 18332
3098 1 9 . 1 1 88 88 LYS CA C 109 58.418 58.418 58.471 -0.053 18332
3099 1 9 . 1 1 88 88 LYS CB C 109 32.625 32.625 31.876 0.749 18332
3100 1 9 . 1 1 88 88 LYS H H 109 8.374 8.374 8.308 0.066 18332
3101 1 9 . 1 1 89 89 ALA N N 110 119.495 119.495 118.863 0.632 18332
3102 1 9 . 1 1 89 89 ALA HA H 110 4.285 4.285 4.385 -0.100 18332
3103 1 9 . 1 1 89 89 ALA CA C 110 52.221 52.221 51.830 0.391 18332
3104 1 9 . 1 1 89 89 ALA CB C 110 19.837 19.837 20.096 -0.259 18332
3105 1 9 . 1 1 89 89 ALA H H 110 7.777 7.777 7.873 -0.096 18332
3106 1 9 . 1 1 90 90 GLY N N 111 107.111 107.111 106.441 0.670 18332
3107 1 9 . 1 1 90 90 GLY CA C 111 47.745 47.745 45.221 2.523 18332
3108 1 9 . 1 1 90 90 GLY H H 111 8.084 8.084 7.654 0.430 18332
3109 1 9 . 1 1 91 91 MET N N 112 118.682 118.682 117.926 0.756 18332
3110 1 9 . 1 1 91 91 MET HA H 112 5.426 5.426 4.679 0.747 18332
3111 1 9 . 1 1 91 91 MET CA C 112 53.755 53.755 54.115 -0.360 18332
3112 1 9 . 1 1 91 91 MET CB C 112 37.293 37.293 36.777 0.516 18332
3113 1 9 . 1 1 91 91 MET H H 112 7.731 7.731 7.896 -0.165 18332
3114 1 9 . 1 1 92 92 ALA N N 113 123.295 123.295 122.167 1.128 18332
3115 1 9 . 1 1 92 92 ALA HA H 113 5.297 5.297 5.407 -0.110 18332
3116 1 9 . 1 1 92 92 ALA CA C 113 50.306 50.306 51.465 -1.159 18332
3117 1 9 . 1 1 92 92 ALA CB C 113 23.342 23.342 21.503 1.839 18332
3118 1 9 . 1 1 92 92 ALA H H 113 9.225 9.225 8.468 0.757 18332
3119 1 9 . 1 1 93 93 GLU N N 114 120.553 120.553 126.774 -6.221 18332
3120 1 9 . 1 1 93 93 GLU HA H 114 5.348 5.348 4.747 0.601 18332
3121 1 9 . 1 1 93 93 GLU CA C 114 54.721 54.721 55.175 -0.453 18332
3122 1 9 . 1 1 93 93 GLU CB C 114 32.530 32.530 31.205 1.325 18332
3123 1 9 . 1 1 93 93 GLU H H 114 8.840 8.840 9.083 -0.243 18332
3124 1 10 . 1 1 2 2 ASN CA C 23 53.576 53.576 52.678 0.898 18332
3125 1 10 . 1 1 2 2 ASN CB C 23 38.913 38.913 40.002 -1.089 18332
3126 1 10 . 1 1 3 3 ASN N N 24 119.074 119.074 121.506 -2.432 18332
3127 1 10 . 1 1 3 3 ASN C C 24 175.201 175.201 174.647 0.554 18332
3128 1 10 . 1 1 3 3 ASN CA C 24 53.609 53.609 53.286 0.323 18332
3129 1 10 . 1 1 3 3 ASN CB C 24 38.885 38.885 38.955 -0.070 18332
3130 1 10 . 1 1 3 3 ASN H H 24 8.546 8.546 8.619 -0.073 18332
3131 1 10 . 1 1 4 4 GLU N N 25 120.681 120.681 124.732 -4.051 18332
3132 1 10 . 1 1 4 4 GLU HA H 25 4.512 4.512 4.548 -0.036 18332
3133 1 10 . 1 1 4 4 GLU C C 25 176.957 176.957 175.489 1.468 18332
3134 1 10 . 1 1 4 4 GLU CA C 25 57.107 57.107 56.081 1.026 18332
3135 1 10 . 1 1 4 4 GLU CB C 25 30.502 30.502 29.772 0.730 18332
3136 1 10 . 1 1 4 4 GLU H H 25 8.431 8.431 8.393 0.038 18332
3137 1 10 . 1 1 5 5 THR N N 26 113.493 113.493 118.686 -5.193 18332
3138 1 10 . 1 1 5 5 THR HA H 26 4.332 4.332 4.471 -0.139 18332
3139 1 10 . 1 1 5 5 THR C C 26 174.268 174.268 173.293 0.975 18332
3140 1 10 . 1 1 5 5 THR CA C 26 61.970 61.970 61.609 0.361 18332
3141 1 10 . 1 1 5 5 THR CB C 26 70.089 70.089 69.928 0.161 18332
3142 1 10 . 1 1 5 5 THR H H 26 8.198 8.198 8.236 -0.038 18332
3143 1 10 . 1 1 6 6 SER N N 27 117.653 117.653 119.526 -1.873 18332
3144 1 10 . 1 1 6 6 SER HA H 27 5.077 5.077 4.664 0.413 18332
3145 1 10 . 1 1 6 6 SER C C 27 174.087 174.087 175.378 -1.291 18332
3146 1 10 . 1 1 6 6 SER CA C 27 57.821 57.821 57.824 -0.003 18332
3147 1 10 . 1 1 6 6 SER CB C 27 64.827 64.827 63.456 1.371 18332
3148 1 10 . 1 1 6 6 SER H H 27 8.180 8.180 8.595 -0.415 18332
3149 1 10 . 1 1 8 8 SER HA H 29 5.455 5.455 4.645 0.810 18332
3150 1 10 . 1 1 8 8 SER C C 29 174.725 174.725 173.684 1.041 18332
3151 1 10 . 1 1 8 8 SER CA C 29 57.885 57.885 58.151 -0.266 18332
3152 1 10 . 1 1 8 8 SER CB C 29 63.990 63.990 63.237 0.753 18332
3153 1 10 . 1 1 9 9 VAL N N 30 118.961 118.961 122.429 -3.468 18332
3154 1 10 . 1 1 9 9 VAL HA H 30 5.002 5.002 4.508 0.494 18332
3155 1 10 . 1 1 9 9 VAL C C 30 175.300 175.300 175.227 0.073 18332
3156 1 10 . 1 1 9 9 VAL CA C 30 58.828 58.828 60.774 -1.946 18332
3157 1 10 . 1 1 9 9 VAL CB C 30 36.058 36.058 33.975 2.083 18332
3158 1 10 . 1 1 9 9 VAL H H 30 9.435 9.435 7.978 1.457 18332
3159 1 10 . 1 1 10 10 THR N N 31 116.623 116.623 119.377 -2.754 18332
3160 1 10 . 1 1 10 10 THR HA H 31 4.726 4.726 4.601 0.125 18332
3161 1 10 . 1 1 10 10 THR C C 31 173.102 173.102 173.628 -0.526 18332
3162 1 10 . 1 1 10 10 THR CA C 31 63.291 63.291 61.993 1.298 18332
3163 1 10 . 1 1 10 10 THR CB C 31 69.490 69.490 69.141 0.349 18332
3164 1 10 . 1 1 10 10 THR H H 31 8.284 8.284 8.373 -0.089 18332
3165 1 10 . 1 1 11 11 PHE N N 32 129.214 129.214 125.373 3.841 18332
3166 1 10 . 1 1 11 11 PHE HA H 32 4.167 4.167 4.944 -0.777 18332
3167 1 10 . 1 1 11 11 PHE C C 32 172.082 172.082 172.935 -0.853 18332
3168 1 10 . 1 1 11 11 PHE CA C 32 55.403 55.403 54.537 0.866 18332
3169 1 10 . 1 1 11 11 PHE CB C 32 39.318 39.318 39.339 -0.021 18332
3170 1 10 . 1 1 11 11 PHE H H 32 8.029 8.029 7.849 0.180 18332
3171 1 10 . 1 1 12 12 PRO HA H 33 4.130 4.130 4.591 -0.461 18332
3172 1 10 . 1 1 12 12 PRO CA C 33 62.885 62.885 62.861 0.024 18332
3173 1 10 . 1 1 12 12 PRO CB C 33 31.435 31.435 32.020 -0.586 18332
3174 1 10 . 1 1 13 13 LYS N N 34 120.291 120.291 121.646 -1.355 18332
3175 1 10 . 1 1 13 13 LYS HA H 34 4.172 4.172 4.329 -0.157 18332
3176 1 10 . 1 1 13 13 LYS CA C 34 58.877 58.877 57.564 1.313 18332
3177 1 10 . 1 1 13 13 LYS CB C 34 31.852 31.852 33.826 -1.974 18332
3178 1 10 . 1 1 13 13 LYS H H 34 7.980 7.980 8.576 -0.596 18332
3179 1 10 . 1 1 14 14 CYS N N 35 116.206 116.206 116.891 -0.685 18332
3180 1 10 . 1 1 14 14 CYS HA H 35 5.081 5.081 4.928 0.153 18332
3181 1 10 . 1 1 14 14 CYS CA C 35 54.045 54.045 56.722 -2.677 18332
3182 1 10 . 1 1 14 14 CYS CB C 35 40.904 40.904 28.013 12.891 18332
3183 1 10 . 1 1 14 14 CYS H H 35 8.056 8.056 7.504 0.552 18332
3184 1 10 . 1 1 15 15 GLU N N 36 122.110 122.110 121.753 0.357 18332
3185 1 10 . 1 1 15 15 GLU HA H 36 4.017 4.017 4.179 -0.162 18332
3186 1 10 . 1 1 15 15 GLU CA C 36 59.377 59.377 58.641 0.736 18332
3187 1 10 . 1 1 15 15 GLU CB C 36 29.852 29.852 29.762 0.090 18332
3188 1 10 . 1 1 15 15 GLU H H 36 8.949 8.949 8.761 0.188 18332
3189 1 10 . 1 1 16 16 ASP N N 37 115.460 115.460 118.801 -3.341 18332
3190 1 10 . 1 1 16 16 ASP HA H 37 4.586 4.586 4.670 -0.084 18332
3191 1 10 . 1 1 16 16 ASP CA C 37 54.947 54.947 54.275 0.672 18332
3192 1 10 . 1 1 16 16 ASP CB C 37 40.051 40.051 41.448 -1.397 18332
3193 1 10 . 1 1 16 16 ASP H H 37 8.947 8.947 8.270 0.677 18332
3194 1 10 . 1 1 17 17 LEU N N 38 119.514 119.514 122.151 -2.637 18332
3195 1 10 . 1 1 17 17 LEU HA H 38 4.550 4.550 4.313 0.237 18332
3196 1 10 . 1 1 17 17 LEU CA C 38 54.800 54.800 55.429 -0.629 18332
3197 1 10 . 1 1 17 17 LEU CB C 38 43.291 43.291 42.636 0.655 18332
3198 1 10 . 1 1 17 17 LEU H H 38 7.468 7.468 7.562 -0.094 18332
3199 1 10 . 1 1 18 18 ASP N N 39 118.819 118.819 121.050 -2.231 18332
3200 1 10 . 1 1 18 18 ASP HA H 39 4.831 4.831 4.802 0.029 18332
3201 1 10 . 1 1 18 18 ASP CA C 39 51.261 51.261 53.092 -1.831 18332
3202 1 10 . 1 1 18 18 ASP CB C 39 41.863 41.863 43.639 -1.776 18332
3203 1 10 . 1 1 18 18 ASP H H 39 7.645 7.645 8.171 -0.526 18332
3204 1 10 . 1 1 19 19 ALA N N 40 120.945 120.945 122.101 -1.156 18332
3205 1 10 . 1 1 19 19 ALA HA H 40 3.202 3.202 3.237 -0.035 18332
3206 1 10 . 1 1 19 19 ALA CA C 40 55.690 55.690 55.061 0.629 18332
3207 1 10 . 1 1 19 19 ALA CB C 40 18.317 18.317 18.582 -0.265 18332
3208 1 10 . 1 1 19 19 ALA H H 40 8.457 8.457 8.553 -0.096 18332
3209 1 10 . 1 1 20 20 ALA N N 41 117.582 117.582 120.402 -2.820 18332
3210 1 10 . 1 1 20 20 ALA HA H 41 3.921 3.921 4.041 -0.120 18332
3211 1 10 . 1 1 20 20 ALA CA C 41 55.042 55.042 54.762 0.280 18332
3212 1 10 . 1 1 20 20 ALA CB C 41 17.773 17.773 18.164 -0.391 18332
3213 1 10 . 1 1 20 20 ALA H H 41 7.944 7.944 8.217 -0.273 18332
3214 1 10 . 1 1 21 21 GLY N N 42 109.614 109.614 107.292 2.322 18332
3215 1 10 . 1 1 21 21 GLY CA C 42 47.069 47.069 46.563 0.506 18332
3216 1 10 . 1 1 21 21 GLY H H 42 8.278 8.278 7.585 0.693 18332
3217 1 10 . 1 1 22 22 ILE N N 43 126.734 126.734 123.699 3.035 18332
3218 1 10 . 1 1 22 22 ILE HA H 43 3.731 3.731 3.482 0.249 18332
3219 1 10 . 1 1 22 22 ILE CA C 43 61.614 61.614 63.446 -1.831 18332
3220 1 10 . 1 1 22 22 ILE CB C 43 35.840 35.840 36.897 -1.056 18332
3221 1 10 . 1 1 22 22 ILE H H 43 8.631 8.631 8.223 0.408 18332
3222 1 10 . 1 1 23 23 ALA N N 44 123.871 123.871 121.228 2.643 18332
3223 1 10 . 1 1 23 23 ALA HA H 44 3.676 3.676 3.888 -0.212 18332
3224 1 10 . 1 1 23 23 ALA CA C 44 55.788 55.788 55.491 0.297 18332
3225 1 10 . 1 1 23 23 ALA CB C 44 18.707 18.707 17.745 0.962 18332
3226 1 10 . 1 1 23 23 ALA H H 44 8.347 8.347 8.030 0.317 18332
3227 1 10 . 1 1 24 24 ALA N N 45 117.860 117.860 120.378 -2.518 18332
3228 1 10 . 1 1 24 24 ALA HA H 45 4.047 4.047 3.956 0.091 18332
3229 1 10 . 1 1 24 24 ALA CA C 45 55.068 55.068 54.882 0.186 18332
3230 1 10 . 1 1 24 24 ALA CB C 45 18.177 18.177 18.186 -0.010 18332
3231 1 10 . 1 1 24 24 ALA H H 45 7.593 7.593 7.746 -0.153 18332
3232 1 10 . 1 1 25 25 SER N N 46 115.177 115.177 114.526 0.651 18332
3233 1 10 . 1 1 25 25 SER HA H 46 4.103 4.103 4.235 -0.132 18332
3234 1 10 . 1 1 25 25 SER CA C 46 62.044 62.044 61.486 0.558 18332
3235 1 10 . 1 1 25 25 SER CB C 46 63.061 63.061 63.189 -0.128 18332
3236 1 10 . 1 1 25 25 SER H H 46 8.086 8.086 7.873 0.213 18332
3237 1 10 . 1 1 26 26 VAL N N 47 123.762 123.762 122.261 1.501 18332
3238 1 10 . 1 1 26 26 VAL HA H 47 3.831 3.831 3.575 0.256 18332
3239 1 10 . 1 1 26 26 VAL CA C 47 67.401 67.401 66.909 0.492 18332
3240 1 10 . 1 1 26 26 VAL CB C 47 31.775 31.775 31.623 0.152 18332
3241 1 10 . 1 1 26 26 VAL H H 47 8.733 8.733 8.406 0.327 18332
3242 1 10 . 1 1 27 27 LYS N N 48 118.412 118.412 119.742 -1.330 18332
3243 1 10 . 1 1 27 27 LYS HA H 48 3.729 3.729 4.059 -0.330 18332
3244 1 10 . 1 1 27 27 LYS CA C 48 61.242 61.242 60.330 0.912 18332
3245 1 10 . 1 1 27 27 LYS CB C 48 32.696 32.696 32.074 0.622 18332
3246 1 10 . 1 1 27 27 LYS H H 48 7.931 7.931 8.477 -0.546 18332
3247 1 10 . 1 1 28 28 ARG N N 49 116.894 116.894 119.856 -2.962 18332
3248 1 10 . 1 1 28 28 ARG HA H 49 4.123 4.123 4.063 0.060 18332
3249 1 10 . 1 1 28 28 ARG CA C 49 59.414 59.414 59.324 0.090 18332
3250 1 10 . 1 1 28 28 ARG CB C 49 30.338 30.338 30.076 0.262 18332
3251 1 10 . 1 1 28 28 ARG H H 49 7.941 7.941 8.186 -0.245 18332
3252 1 10 . 1 1 29 29 ASP N N 50 119.598 119.598 119.349 0.249 18332
3253 1 10 . 1 1 29 29 ASP HA H 50 4.161 4.161 4.364 -0.203 18332
3254 1 10 . 1 1 29 29 ASP CA C 50 58.581 58.581 57.546 1.035 18332
3255 1 10 . 1 1 29 29 ASP CB C 50 43.769 43.769 40.516 3.253 18332
3256 1 10 . 1 1 29 29 ASP H H 50 8.250 8.250 8.126 0.124 18332
3257 1 10 . 1 1 30 30 TYR N N 51 119.757 119.757 118.175 1.582 18332
3258 1 10 . 1 1 30 30 TYR CA C 51 62.615 62.615 60.928 1.687 18332
3259 1 10 . 1 1 30 30 TYR CB C 51 38.668 38.668 38.220 0.448 18332
3260 1 10 . 1 1 30 30 TYR H H 51 8.680 8.680 7.453 1.227 18332
3261 1 10 . 1 1 31 31 GLN N N 52 115.572 115.572 119.195 -3.623 18332
3262 1 10 . 1 1 31 31 GLN HA H 52 4.126 4.126 3.872 0.254 18332
3263 1 10 . 1 1 31 31 GLN C C 52 178.235 178.235 177.872 0.363 18332
3264 1 10 . 1 1 31 31 GLN CA C 52 59.256 59.256 59.273 -0.017 18332
3265 1 10 . 1 1 31 31 GLN H H 52 8.287 8.287 8.391 -0.104 18332
3266 1 10 . 1 1 32 32 GLN N N 53 114.416 114.416 117.240 -2.824 18332
3267 1 10 . 1 1 32 32 GLN C C 53 177.224 177.224 177.452 -0.228 18332
3268 1 10 . 1 1 32 32 GLN CA C 53 57.673 57.673 57.886 -0.213 18332
3269 1 10 . 1 1 32 32 GLN CB C 53 29.425 29.425 28.443 0.982 18332
3270 1 10 . 1 1 32 32 GLN H H 53 8.848 8.848 8.353 0.495 18332
3271 1 10 . 1 1 45 45 VAL HA H 66 4.239 4.239 3.991 0.248 18332
3272 1 10 . 1 1 45 45 VAL CA C 66 63.712 63.712 63.208 0.504 18332
3273 1 10 . 1 1 45 45 VAL CB C 66 32.252 32.252 32.235 0.017 18332
3274 1 10 . 1 1 46 46 GLY N N 67 108.542 108.542 107.057 1.485 18332
3275 1 10 . 1 1 46 46 GLY CA C 67 45.910 45.910 44.867 1.043 18332
3276 1 10 . 1 1 46 46 GLY H H 67 8.027 8.027 7.888 0.139 18332
3277 1 10 . 1 1 50 50 PRO HA H 71 4.129 4.129 5.028 -0.899 18332
3278 1 10 . 1 1 50 50 PRO C C 71 176.009 176.009 176.185 -0.176 18332
3279 1 10 . 1 1 50 50 PRO CA C 71 62.889 62.889 62.532 0.357 18332
3280 1 10 . 1 1 50 50 PRO CB C 71 32.769 32.769 32.617 0.152 18332
3281 1 10 . 1 1 51 51 VAL N N 72 123.129 123.129 124.651 -1.522 18332
3282 1 10 . 1 1 51 51 VAL HA H 72 4.166 4.166 4.305 -0.139 18332
3283 1 10 . 1 1 51 51 VAL C C 72 174.364 174.364 175.054 -0.690 18332
3284 1 10 . 1 1 51 51 VAL CA C 72 62.794 62.794 61.382 1.412 18332
3285 1 10 . 1 1 51 51 VAL CB C 72 32.947 32.947 34.113 -1.166 18332
3286 1 10 . 1 1 51 51 VAL H H 72 8.537 8.537 8.088 0.449 18332
3287 1 10 . 1 1 52 52 ALA N N 73 128.689 128.689 132.043 -3.354 18332
3288 1 10 . 1 1 52 52 ALA HA H 73 5.437 5.437 5.223 0.214 18332
3289 1 10 . 1 1 52 52 ALA C C 73 176.104 176.104 176.885 -0.781 18332
3290 1 10 . 1 1 52 52 ALA CA C 73 50.307 50.307 51.328 -1.021 18332
3291 1 10 . 1 1 52 52 ALA CB C 73 21.672 21.672 19.610 2.062 18332
3292 1 10 . 1 1 52 52 ALA H H 73 8.272 8.272 8.644 -0.372 18332
3293 1 10 . 1 1 53 53 TRP N N 74 122.550 122.550 123.962 -1.412 18332
3294 1 10 . 1 1 53 53 TRP HA H 74 4.890 4.890 5.060 -0.170 18332
3295 1 10 . 1 1 53 53 TRP C C 74 174.515 174.515 173.447 1.068 18332
3296 1 10 . 1 1 53 53 TRP CA C 74 56.883 56.883 54.701 2.182 18332
3297 1 10 . 1 1 53 53 TRP CB C 74 32.120 32.120 31.622 0.497 18332
3298 1 10 . 1 1 53 53 TRP H H 74 9.301 9.301 9.021 0.280 18332
3299 1 10 . 1 1 54 54 VAL HA H 75 4.424 4.424 4.308 0.116 18332
3300 1 10 . 1 1 54 54 VAL C C 75 174.906 174.906 175.029 -0.123 18332
3301 1 10 . 1 1 54 54 VAL CA C 75 60.326 60.326 59.901 0.425 18332
3302 1 10 . 1 1 54 54 VAL CB C 75 34.985 34.985 33.852 1.133 18332
3303 1 10 . 1 1 55 55 SER N N 76 121.442 121.442 123.763 -2.321 18332
3304 1 10 . 1 1 55 55 SER HA H 76 4.427 4.427 4.367 0.060 18332
3305 1 10 . 1 1 55 55 SER CA C 76 55.979 55.979 57.411 -1.432 18332
3306 1 10 . 1 1 55 55 SER CB C 76 62.223 62.223 63.495 -1.272 18332
3307 1 10 . 1 1 55 55 SER H H 76 7.855 7.855 8.317 -0.462 18332
3308 1 10 . 1 1 56 56 LEU N N 77 129.932 129.932 129.498 0.434 18332
3309 1 10 . 1 1 56 56 LEU HA H 77 3.829 3.829 4.013 -0.184 18332
3310 1 10 . 1 1 56 56 LEU CA C 77 58.257 58.257 58.577 -0.320 18332
3311 1 10 . 1 1 56 56 LEU CB C 77 41.844 41.844 41.522 0.322 18332
3312 1 10 . 1 1 56 56 LEU H H 77 8.256 8.256 9.105 -0.849 18332
3313 1 10 . 1 1 57 57 GLN N N 78 115.179 115.179 117.386 -2.207 18332
3314 1 10 . 1 1 57 57 GLN HA H 78 4.186 4.186 4.181 0.005 18332
3315 1 10 . 1 1 57 57 GLN CA C 78 57.730 57.730 58.001 -0.271 18332
3316 1 10 . 1 1 57 57 GLN CB C 78 28.156 28.156 28.080 0.076 18332
3317 1 10 . 1 1 57 57 GLN H H 78 8.614 8.614 8.681 -0.067 18332
3318 1 10 . 1 1 58 58 ASP N N 79 116.803 116.803 116.972 -0.169 18332
3319 1 10 . 1 1 58 58 ASP HA H 79 4.901 4.901 4.681 0.220 18332
3320 1 10 . 1 1 58 58 ASP CA C 79 54.261 54.261 53.871 0.390 18332
3321 1 10 . 1 1 58 58 ASP CB C 79 43.008 43.008 41.979 1.029 18332
3322 1 10 . 1 1 58 58 ASP H H 79 7.486 7.486 7.662 -0.176 18332
3323 1 10 . 1 1 59 59 ILE N N 80 121.887 121.887 121.509 0.378 18332
3324 1 10 . 1 1 59 59 ILE HA H 80 4.344 4.344 3.882 0.462 18332
3325 1 10 . 1 1 59 59 ILE CA C 80 63.397 63.397 62.084 1.313 18332
3326 1 10 . 1 1 59 59 ILE CB C 80 38.796 38.796 36.127 2.669 18332
3327 1 10 . 1 1 59 59 ILE H H 80 7.278 7.278 7.534 -0.256 18332
3328 1 10 . 1 1 60 60 GLN N N 81 126.140 126.140 127.395 -1.255 18332
3329 1 10 . 1 1 60 60 GLN HA H 81 4.983 4.983 4.857 0.126 18332
3330 1 10 . 1 1 60 60 GLN CA C 81 54.165 54.165 54.066 0.099 18332
3331 1 10 . 1 1 60 60 GLN CB C 81 32.639 32.639 32.970 -0.331 18332
3332 1 10 . 1 1 60 60 GLN H H 81 8.318 8.318 8.125 0.193 18332
3333 1 10 . 1 1 61 61 GLY N N 82 111.215 111.215 107.363 3.852 18332
3334 1 10 . 1 1 61 61 GLY CA C 82 45.844 45.844 44.818 1.026 18332
3335 1 10 . 1 1 61 61 GLY H H 82 8.484 8.484 8.237 0.247 18332
3336 1 10 . 1 1 62 62 LYS N N 83 119.467 119.467 120.067 -0.600 18332
3337 1 10 . 1 1 62 62 LYS HA H 83 3.986 3.986 4.360 -0.374 18332
3338 1 10 . 1 1 62 62 LYS CA C 83 56.248 56.248 54.733 1.515 18332
3339 1 10 . 1 1 62 62 LYS CB C 83 34.501 34.501 35.108 -0.607 18332
3340 1 10 . 1 1 62 62 LYS H H 83 7.669 7.669 7.923 -0.254 18332
3341 1 10 . 1 1 63 63 ASP N N 84 124.240 124.240 122.793 1.447 18332
3342 1 10 . 1 1 63 63 ASP HA H 84 4.181 4.181 4.194 -0.013 18332
3343 1 10 . 1 1 63 63 ASP CA C 84 56.029 56.029 56.856 -0.827 18332
3344 1 10 . 1 1 63 63 ASP CB C 84 39.258 39.258 40.332 -1.074 18332
3345 1 10 . 1 1 63 63 ASP H H 84 9.052 9.052 8.911 0.141 18332
3346 1 10 . 1 1 64 64 ASP N N 85 110.367 110.367 115.365 -4.998 18332
3347 1 10 . 1 1 64 64 ASP HA H 85 4.240 4.240 4.710 -0.470 18332
3348 1 10 . 1 1 64 64 ASP CA C 85 56.115 56.115 54.098 2.017 18332
3349 1 10 . 1 1 64 64 ASP CB C 85 40.468 40.468 42.800 -2.332 18332
3350 1 10 . 1 1 64 64 ASP H H 85 8.261 8.261 8.184 0.077 18332
3351 1 10 . 1 1 65 65 LYS N N 86 119.587 119.587 121.756 -2.169 18332
3352 1 10 . 1 1 65 65 LYS HA H 86 5.352 5.352 5.516 -0.164 18332
3353 1 10 . 1 1 65 65 LYS CA C 86 55.218 55.218 55.409 -0.191 18332
3354 1 10 . 1 1 65 65 LYS CB C 86 34.418 34.418 34.340 0.078 18332
3355 1 10 . 1 1 65 65 LYS H H 86 7.460 7.460 7.696 -0.236 18332
3356 1 10 . 1 1 66 66 TRP N N 87 121.490 121.490 124.463 -2.973 18332
3357 1 10 . 1 1 66 66 TRP HA H 87 5.307 5.307 5.245 0.062 18332
3358 1 10 . 1 1 66 66 TRP C C 87 175.839 175.839 175.455 0.384 18332
3359 1 10 . 1 1 66 66 TRP CA C 87 55.834 55.834 55.942 -0.108 18332
3360 1 10 . 1 1 66 66 TRP CB C 87 34.217 34.217 33.615 0.602 18332
3361 1 10 . 1 1 66 66 TRP H H 87 8.903 8.903 9.084 -0.181 18332
3362 1 10 . 1 1 67 67 SER N N 88 118.488 118.488 115.766 2.722 18332
3363 1 10 . 1 1 67 67 SER HA H 88 5.236 5.236 5.585 -0.349 18332
3364 1 10 . 1 1 67 67 SER CA C 88 57.197 57.197 56.740 0.457 18332
3365 1 10 . 1 1 67 67 SER CB C 88 63.945 63.945 65.393 -1.448 18332
3366 1 10 . 1 1 67 67 SER H H 88 9.382 9.382 9.377 0.005 18332
3367 1 10 . 1 1 68 68 VAL N N 89 127.693 127.693 126.919 0.774 18332
3368 1 10 . 1 1 68 68 VAL HA H 89 4.620 4.620 4.333 0.287 18332
3369 1 10 . 1 1 68 68 VAL CA C 89 59.246 59.246 59.772 -0.526 18332
3370 1 10 . 1 1 68 68 VAL CB C 89 35.649 35.649 31.903 3.746 18332
3371 1 10 . 1 1 68 68 VAL H H 89 9.360 9.360 8.603 0.757 18332
3372 1 10 . 1 1 69 69 PRO HA H 90 4.077 4.077 4.407 -0.330 18332
3373 1 10 . 1 1 69 69 PRO C C 90 174.726 174.726 176.184 -1.458 18332
3374 1 10 . 1 1 69 69 PRO CA C 90 61.967 61.967 62.513 -0.546 18332
3375 1 10 . 1 1 69 69 PRO CB C 90 31.095 31.095 31.817 -0.722 18332
3376 1 10 . 1 1 70 70 LEU N N 91 126.522 126.522 120.898 5.624 18332
3377 1 10 . 1 1 70 70 LEU HA H 91 4.818 4.818 4.318 0.500 18332
3378 1 10 . 1 1 70 70 LEU C C 91 173.906 173.906 175.861 -1.955 18332
3379 1 10 . 1 1 70 70 LEU CA C 91 53.978 53.978 54.801 -0.823 18332
3380 1 10 . 1 1 70 70 LEU CB C 91 46.386 46.386 41.220 5.166 18332
3381 1 10 . 1 1 70 70 LEU H H 91 8.767 8.767 8.041 0.726 18332
3382 1 10 . 1 1 71 71 THR HA H 92 5.105 5.105 4.412 0.693 18332
3383 1 10 . 1 1 71 71 THR H H 92 9.034 9.034 7.923 1.111 18332
3384 1 10 . 1 1 72 72 VAL HA H 93 4.532 4.532 5.303 -0.771 18332
3385 1 10 . 1 1 72 72 VAL CA C 93 61.333 61.333 59.429 1.904 18332
3386 1 10 . 1 1 72 72 VAL CB C 93 33.826 33.826 35.422 -1.596 18332
3387 1 10 . 1 1 73 73 ARG N N 94 126.565 126.565 127.501 -0.936 18332
3388 1 10 . 1 1 73 73 ARG HA H 94 4.900 4.900 4.772 0.128 18332
3389 1 10 . 1 1 73 73 ARG CA C 94 55.931 55.931 53.896 2.035 18332
3390 1 10 . 1 1 73 73 ARG CB C 94 31.104 31.104 29.957 1.147 18332
3391 1 10 . 1 1 73 73 ARG H H 94 8.833 8.833 8.387 0.446 18332
3392 1 10 . 1 1 74 74 GLY N N 95 112.938 112.938 111.666 1.272 18332
3393 1 10 . 1 1 74 74 GLY CA C 95 44.454 44.454 45.346 -0.892 18332
3394 1 10 . 1 1 74 74 GLY H H 95 8.562 8.562 8.338 0.224 18332
3395 1 10 . 1 1 75 75 LYS N N 96 119.229 119.229 121.496 -2.267 18332
3396 1 10 . 1 1 75 75 LYS HA H 96 4.243 4.243 4.449 -0.206 18332
3397 1 10 . 1 1 75 75 LYS CA C 96 59.295 59.295 57.434 1.861 18332
3398 1 10 . 1 1 75 75 LYS CB C 96 32.597 32.597 32.802 -0.205 18332
3399 1 10 . 1 1 75 75 LYS H H 96 8.074 8.074 8.534 -0.460 18332
3400 1 10 . 1 1 76 76 SER N N 97 111.880 111.880 114.705 -2.825 18332
3401 1 10 . 1 1 76 76 SER HA H 97 4.625 4.625 4.453 0.172 18332
3402 1 10 . 1 1 76 76 SER CA C 97 58.593 58.593 57.888 0.705 18332
3403 1 10 . 1 1 76 76 SER CB C 97 64.106 64.106 63.351 0.755 18332
3404 1 10 . 1 1 76 76 SER H H 97 8.828 8.828 8.114 0.714 18332
3405 1 10 . 1 1 77 77 ALA N N 98 122.995 122.995 123.777 -0.782 18332
3406 1 10 . 1 1 77 77 ALA HA H 98 4.121 4.121 4.596 -0.475 18332
3407 1 10 . 1 1 77 77 ALA CA C 98 51.218 51.218 51.432 -0.214 18332
3408 1 10 . 1 1 77 77 ALA CB C 98 21.866 21.866 20.992 0.874 18332
3409 1 10 . 1 1 77 77 ALA H H 98 7.341 7.341 7.299 0.042 18332
3410 1 10 . 1 1 78 78 ASP N N 99 115.649 115.649 120.358 -4.709 18332
3411 1 10 . 1 1 78 78 ASP HA H 99 5.435 5.435 4.815 0.620 18332
3412 1 10 . 1 1 78 78 ASP CA C 99 52.144 52.144 53.287 -1.143 18332
3413 1 10 . 1 1 78 78 ASP CB C 99 43.392 43.392 43.505 -0.113 18332
3414 1 10 . 1 1 78 78 ASP H H 99 8.206 8.206 8.294 -0.088 18332
3415 1 10 . 1 1 79 79 ILE N N 100 120.032 120.032 118.078 1.954 18332
3416 1 10 . 1 1 79 79 ILE HA H 100 4.177 4.177 4.522 -0.345 18332
3417 1 10 . 1 1 79 79 ILE CA C 100 60.560 60.560 60.914 -0.354 18332
3418 1 10 . 1 1 79 79 ILE CB C 100 41.095 41.095 39.195 1.900 18332
3419 1 10 . 1 1 79 79 ILE H H 100 9.039 9.039 8.403 0.636 18332
3420 1 10 . 1 1 83 83 VAL HA H 104 4.779 4.779 5.154 -0.375 18332
3421 1 10 . 1 1 83 83 VAL CA C 104 61.192 61.192 60.779 0.413 18332
3422 1 10 . 1 1 83 83 VAL CB C 104 31.896 31.896 34.826 -2.930 18332
3423 1 10 . 1 1 84 84 SER N N 105 124.376 124.376 123.437 0.939 18332
3424 1 10 . 1 1 84 84 SER HA H 105 5.393 5.393 5.223 0.170 18332
3425 1 10 . 1 1 84 84 SER CA C 105 56.419 56.419 57.737 -1.319 18332
3426 1 10 . 1 1 84 84 SER CB C 105 63.496 63.496 63.817 -0.321 18332
3427 1 10 . 1 1 84 84 SER H H 105 8.973 8.973 8.740 0.233 18332
3428 1 10 . 1 1 85 85 VAL N N 106 127.349 127.349 127.929 -0.580 18332
3429 1 10 . 1 1 85 85 VAL HA H 106 4.090 4.090 4.427 -0.337 18332
3430 1 10 . 1 1 85 85 VAL CA C 106 61.843 61.843 61.284 0.559 18332
3431 1 10 . 1 1 85 85 VAL CB C 106 34.995 34.995 32.493 2.502 18332
3432 1 10 . 1 1 85 85 VAL H H 106 9.254 9.254 9.218 0.036 18332
3433 1 10 . 1 1 86 86 ASP N N 107 126.522 126.522 128.600 -2.078 18332
3434 1 10 . 1 1 86 86 ASP HA H 107 5.149 5.149 5.179 -0.030 18332
3435 1 10 . 1 1 86 86 ASP CA C 107 52.528 52.528 54.206 -1.678 18332
3436 1 10 . 1 1 86 86 ASP CB C 107 41.694 41.694 42.205 -0.511 18332
3437 1 10 . 1 1 86 86 ASP H H 107 8.877 8.877 8.749 0.128 18332
3438 1 10 . 1 1 87 87 CYS N N 108 120.863 120.863 126.106 -5.243 18332
3439 1 10 . 1 1 87 87 CYS HA H 108 4.828 4.828 4.345 0.483 18332
3440 1 10 . 1 1 87 87 CYS CA C 108 57.070 57.070 61.089 -4.019 18332
3441 1 10 . 1 1 87 87 CYS CB C 108 40.994 40.994 27.763 13.231 18332
3442 1 10 . 1 1 87 87 CYS H H 108 8.989 8.989 9.382 -0.393 18332
3443 1 10 . 1 1 88 88 LYS N N 109 118.800 118.800 120.146 -1.346 18332
3444 1 10 . 1 1 88 88 LYS HA H 109 4.384 4.384 4.192 0.192 18332
3445 1 10 . 1 1 88 88 LYS CA C 109 58.418 58.418 58.341 0.077 18332
3446 1 10 . 1 1 88 88 LYS CB C 109 32.625 32.625 31.870 0.755 18332
3447 1 10 . 1 1 88 88 LYS H H 109 8.374 8.374 8.931 -0.557 18332
3448 1 10 . 1 1 89 89 ALA N N 110 119.495 119.495 119.484 0.011 18332
3449 1 10 . 1 1 89 89 ALA HA H 110 4.285 4.285 4.399 -0.114 18332
3450 1 10 . 1 1 89 89 ALA CA C 110 52.221 52.221 51.990 0.231 18332
3451 1 10 . 1 1 89 89 ALA CB C 110 19.837 19.837 20.202 -0.365 18332
3452 1 10 . 1 1 89 89 ALA H H 110 7.777 7.777 7.696 0.081 18332
3453 1 10 . 1 1 90 90 GLY N N 111 107.111 107.111 106.108 1.003 18332
3454 1 10 . 1 1 90 90 GLY CA C 111 47.745 47.745 45.097 2.648 18332
3455 1 10 . 1 1 90 90 GLY H H 111 8.084 8.084 7.670 0.414 18332
3456 1 10 . 1 1 91 91 MET N N 112 118.682 118.682 118.548 0.134 18332
3457 1 10 . 1 1 91 91 MET HA H 112 5.426 5.426 4.857 0.569 18332
3458 1 10 . 1 1 91 91 MET CA C 112 53.755 53.755 54.351 -0.596 18332
3459 1 10 . 1 1 91 91 MET CB C 112 37.293 37.293 36.626 0.667 18332
3460 1 10 . 1 1 91 91 MET H H 112 7.731 7.731 7.783 -0.052 18332
3461 1 10 . 1 1 92 92 ALA N N 113 123.295 123.295 122.553 0.742 18332
3462 1 10 . 1 1 92 92 ALA HA H 113 5.297 5.297 5.290 0.007 18332
3463 1 10 . 1 1 92 92 ALA CA C 113 50.306 50.306 51.244 -0.938 18332
3464 1 10 . 1 1 92 92 ALA CB C 113 23.342 23.342 21.673 1.669 18332
3465 1 10 . 1 1 92 92 ALA H H 113 9.225 9.225 8.258 0.967 18332
3466 1 10 . 1 1 93 93 GLU N N 114 120.553 120.553 125.661 -5.108 18332
3467 1 10 . 1 1 93 93 GLU HA H 114 5.348 5.348 4.529 0.819 18332
3468 1 10 . 1 1 93 93 GLU CA C 114 54.721 54.721 54.593 0.128 18332
3469 1 10 . 1 1 93 93 GLU CB C 114 32.530 32.530 31.026 1.504 18332
3470 1 10 . 1 1 93 93 GLU H H 114 8.840 8.840 8.882 -0.042 18332
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 63 2.646 0.949 2.490 18332
2 1 1 "Average Difference" HA 72 0.395 -0.065 0.392 18332
3 1 1 "Average Difference" C 18 1.008 0.186 1.019 18332
4 1 1 "Average Difference" CA 72 1.231 -0.129 1.233 18332
5 1 1 "Average Difference" CB 66 2.611 -0.731 2.526 18332
6 1 1 "Average Difference" HN 64 0.456 -0.115 0.444 18332
7 1 2 "Average Difference" N 63 2.730 1.068 2.532 18332
8 1 2 "Average Difference" HA 72 0.365 -0.064 0.362 18332
9 1 2 "Average Difference" C 18 0.987 0.140 1.006 18332
10 1 2 "Average Difference" CA 72 1.210 -0.082 1.216 18332
11 1 2 "Average Difference" CB 66 2.535 -0.704 2.454 18332
12 1 2 "Average Difference" HN 64 0.444 -0.083 0.440 18332
13 1 3 "Average Difference" N 63 2.853 0.841 2.748 18332
14 1 3 "Average Difference" HA 72 0.368 -0.040 0.368 18332
15 1 3 "Average Difference" C 18 0.873 0.157 0.884 18332
16 1 3 "Average Difference" CA 72 1.186 -0.161 1.183 18332
17 1 3 "Average Difference" CB 66 2.651 -0.622 2.597 18332
18 1 3 "Average Difference" HN 64 0.463 -0.086 0.458 18332
19 1 4 "Average Difference" N 63 2.579 0.758 2.485 18332
20 1 4 "Average Difference" HA 72 0.382 -0.074 0.378 18332
21 1 4 "Average Difference" C 18 0.920 0.165 0.931 18332
22 1 4 "Average Difference" CA 72 1.255 -0.147 1.255 18332
23 1 4 "Average Difference" CB 66 2.687 -0.832 2.574 18332
24 1 4 "Average Difference" HN 64 0.484 -0.106 0.476 18332
25 1 5 "Average Difference" N 63 2.595 0.903 2.453 18332
26 1 5 "Average Difference" HA 72 0.368 -0.031 0.369 18332
27 1 5 "Average Difference" C 18 0.857 0.044 0.881 18332
28 1 5 "Average Difference" CA 72 1.175 -0.134 1.175 18332
29 1 5 "Average Difference" CB 66 2.601 -0.804 2.492 18332
30 1 5 "Average Difference" HN 64 0.468 -0.117 0.457 18332
31 1 6 "Average Difference" N 63 2.740 0.847 2.626 18332
32 1 6 "Average Difference" HA 72 0.371 -0.087 0.363 18332
33 1 6 "Average Difference" C 18 0.891 0.047 0.916 18332
34 1 6 "Average Difference" CA 72 1.175 -0.108 1.178 18332
35 1 6 "Average Difference" CB 66 2.672 -0.725 2.591 18332
36 1 6 "Average Difference" HN 64 0.491 -0.130 0.477 18332
37 1 7 "Average Difference" N 63 2.769 0.915 2.634 18332
38 1 7 "Average Difference" HA 72 0.374 -0.032 0.375 18332
39 1 7 "Average Difference" C 18 1.106 0.056 1.137 18332
40 1 7 "Average Difference" CA 72 1.244 -0.138 1.245 18332
41 1 7 "Average Difference" CB 66 2.672 -0.682 2.603 18332
42 1 7 "Average Difference" HN 64 0.432 -0.071 0.429 18332
43 1 8 "Average Difference" N 63 2.759 0.871 2.638 18332
44 1 8 "Average Difference" HA 72 0.371 -0.028 0.373 18332
45 1 8 "Average Difference" C 18 0.990 -0.064 1.017 18332
46 1 8 "Average Difference" CA 72 1.287 -0.092 1.292 18332
47 1 8 "Average Difference" CB 66 2.560 -0.708 2.479 18332
48 1 8 "Average Difference" HN 64 0.452 -0.095 0.445 18332
49 1 9 "Average Difference" N 63 2.758 0.707 2.687 18332
50 1 9 "Average Difference" HA 72 0.372 -0.060 0.370 18332
51 1 9 "Average Difference" C 18 0.928 0.356 0.881 18332
52 1 9 "Average Difference" CA 72 1.242 0.049 1.249 18332
53 1 9 "Average Difference" CB 66 2.680 -0.779 2.584 18332
54 1 9 "Average Difference" HN 64 0.487 -0.097 0.482 18332
55 1 10 "Average Difference" N 63 2.573 0.907 2.427 18332
56 1 10 "Average Difference" HA 72 0.385 -0.045 0.386 18332
57 1 10 "Average Difference" C 18 0.935 0.120 0.954 18332
58 1 10 "Average Difference" CA 72 1.168 -0.151 1.167 18332
59 1 10 "Average Difference" CB 66 2.675 -0.675 2.608 18332
60 1 10 "Average Difference" HN 64 0.469 -0.113 0.458 18332
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 18332
_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 ASN CA C 23 53.576 53.576 53.037 0.540 18332
2 1 . 1 1 2 2 ASN CB C 23 38.913 38.913 38.985 -0.072 18332
3 1 . 1 1 3 3 ASN N N 24 119.074 119.074 120.294 -1.220 18332
4 1 . 1 1 3 3 ASN C C 24 175.201 175.201 174.565 0.636 18332
5 1 . 1 1 3 3 ASN CA C 24 53.609 53.609 53.482 0.127 18332
6 1 . 1 1 3 3 ASN CB C 24 38.885 38.885 38.957 -0.072 18332
7 1 . 1 1 3 3 ASN H H 24 8.546 8.546 8.574 -0.028 18332
8 1 . 1 1 4 4 GLU N N 25 120.681 120.681 121.995 -1.314 18332
9 1 . 1 1 4 4 GLU HA H 25 4.512 4.512 4.421 0.091 18332
10 1 . 1 1 4 4 GLU C C 25 176.957 176.957 176.047 0.910 18332
11 1 . 1 1 4 4 GLU CA C 25 57.107 57.107 56.566 0.541 18332
12 1 . 1 1 4 4 GLU CB C 25 30.502 30.502 29.936 0.566 18332
13 1 . 1 1 4 4 GLU H H 25 8.431 8.431 8.357 0.074 18332
14 1 . 1 1 5 5 THR N N 26 113.493 113.493 116.326 -2.833 18332
15 1 . 1 1 5 5 THR HA H 26 4.332 4.332 4.464 -0.132 18332
16 1 . 1 1 5 5 THR C C 26 174.268 174.268 174.264 0.004 18332
17 1 . 1 1 5 5 THR CA C 26 61.970 61.970 62.398 -0.428 18332
18 1 . 1 1 5 5 THR CB C 26 70.089 70.089 69.204 0.885 18332
19 1 . 1 1 5 5 THR H H 26 8.198 8.198 8.207 -0.009 18332
20 1 . 1 1 6 6 SER N N 27 117.653 117.653 120.152 -2.499 18332
21 1 . 1 1 6 6 SER HA H 27 5.077 5.077 4.619 0.458 18332
22 1 . 1 1 6 6 SER C C 27 174.087 174.087 174.555 -0.468 18332
23 1 . 1 1 6 6 SER CA C 27 57.821 57.821 58.134 -0.313 18332
24 1 . 1 1 6 6 SER CB C 27 64.827 64.827 63.827 1.000 18332
25 1 . 1 1 6 6 SER H H 27 8.180 8.180 8.358 -0.178 18332
26 1 . 1 1 8 8 SER HA H 29 5.455 5.455 4.636 0.819 18332
27 1 . 1 1 8 8 SER C C 29 174.725 174.725 173.640 1.085 18332
28 1 . 1 1 8 8 SER CA C 29 57.885 57.885 58.036 -0.151 18332
29 1 . 1 1 8 8 SER CB C 29 63.990 63.990 63.285 0.705 18332
30 1 . 1 1 9 9 VAL N N 30 118.961 118.961 124.448 -5.487 18332
31 1 . 1 1 9 9 VAL HA H 30 5.002 5.002 4.390 0.612 18332
32 1 . 1 1 9 9 VAL C C 30 175.300 175.300 174.693 0.607 18332
33 1 . 1 1 9 9 VAL CA C 30 58.828 58.828 61.759 -2.930 18332
34 1 . 1 1 9 9 VAL CB C 30 36.058 36.058 34.345 1.713 18332
35 1 . 1 1 9 9 VAL H H 30 9.435 9.435 8.292 1.143 18332
36 1 . 1 1 10 10 THR N N 31 116.623 116.623 121.829 -5.205 18332
37 1 . 1 1 10 10 THR HA H 31 4.726 4.726 4.620 0.106 18332
38 1 . 1 1 10 10 THR C C 31 173.102 173.102 173.579 -0.477 18332
39 1 . 1 1 10 10 THR CA C 31 63.291 63.291 61.603 1.688 18332
40 1 . 1 1 10 10 THR CB C 31 69.490 69.490 69.245 0.245 18332
41 1 . 1 1 10 10 THR H H 31 8.284 8.284 8.258 0.026 18332
42 1 . 1 1 11 11 PHE N N 32 129.214 129.214 123.585 5.629 18332
43 1 . 1 1 11 11 PHE HA H 32 4.167 4.167 4.978 -0.811 18332
44 1 . 1 1 11 11 PHE C C 32 172.082 172.082 172.813 -0.731 18332
45 1 . 1 1 11 11 PHE CA C 32 55.403 55.403 54.322 1.081 18332
46 1 . 1 1 11 11 PHE CB C 32 39.318 39.318 39.452 -0.134 18332
47 1 . 1 1 11 11 PHE H H 32 8.029 8.029 7.928 0.101 18332
48 1 . 1 1 12 12 PRO HA H 33 4.130 4.130 4.749 -0.619 18332
49 1 . 1 1 12 12 PRO CA C 33 62.885 62.885 62.577 0.308 18332
50 1 . 1 1 12 12 PRO CB C 33 31.435 31.435 32.242 -0.807 18332
51 1 . 1 1 13 13 LYS N N 34 120.291 120.291 122.370 -2.079 18332
52 1 . 1 1 13 13 LYS HA H 34 4.172 4.172 4.370 -0.198 18332
53 1 . 1 1 13 13 LYS CA C 34 58.877 58.877 57.989 0.888 18332
54 1 . 1 1 13 13 LYS CB C 34 31.852 31.852 33.726 -1.874 18332
55 1 . 1 1 13 13 LYS H H 34 7.980 7.980 8.617 -0.637 18332
56 1 . 1 1 14 14 CYS N N 35 116.206 116.206 116.601 -0.395 18332
57 1 . 1 1 14 14 CYS HA H 35 5.081 5.081 4.905 0.176 18332
58 1 . 1 1 14 14 CYS CA C 35 54.045 54.045 56.791 -2.746 18332
59 1 . 1 1 14 14 CYS CB C 35 40.904 40.904 28.000 12.904 18332
60 1 . 1 1 14 14 CYS H H 35 8.056 8.056 7.896 0.160 18332
61 1 . 1 1 15 15 GLU N N 36 122.110 122.110 123.266 -1.156 18332
62 1 . 1 1 15 15 GLU HA H 36 4.017 4.017 4.160 -0.143 18332
63 1 . 1 1 15 15 GLU CA C 36 59.377 59.377 58.651 0.726 18332
64 1 . 1 1 15 15 GLU CB C 36 29.852 29.852 29.808 0.044 18332
65 1 . 1 1 15 15 GLU H H 36 8.949 8.949 8.740 0.208 18332
66 1 . 1 1 16 16 ASP N N 37 115.460 115.460 118.820 -3.360 18332
67 1 . 1 1 16 16 ASP HA H 37 4.586 4.586 4.700 -0.114 18332
68 1 . 1 1 16 16 ASP CA C 37 54.947 54.947 54.182 0.765 18332
69 1 . 1 1 16 16 ASP CB C 37 40.051 40.051 41.347 -1.296 18332
70 1 . 1 1 16 16 ASP H H 37 8.947 8.947 8.237 0.710 18332
71 1 . 1 1 17 17 LEU N N 38 119.514 119.514 121.846 -2.332 18332
72 1 . 1 1 17 17 LEU HA H 38 4.550 4.550 4.290 0.260 18332
73 1 . 1 1 17 17 LEU CA C 38 54.800 54.800 55.385 -0.585 18332
74 1 . 1 1 17 17 LEU CB C 38 43.291 43.291 42.723 0.568 18332
75 1 . 1 1 17 17 LEU H H 38 7.468 7.468 7.546 -0.078 18332
76 1 . 1 1 18 18 ASP N N 39 118.819 118.819 120.951 -2.132 18332
77 1 . 1 1 18 18 ASP HA H 39 4.831 4.831 4.833 -0.002 18332
78 1 . 1 1 18 18 ASP CA C 39 51.261 51.261 53.123 -1.863 18332
79 1 . 1 1 18 18 ASP CB C 39 41.863 41.863 43.448 -1.585 18332
80 1 . 1 1 18 18 ASP H H 39 7.645 7.645 8.133 -0.488 18332
81 1 . 1 1 19 19 ALA N N 40 120.945 120.945 122.284 -1.339 18332
82 1 . 1 1 19 19 ALA HA H 40 3.202 3.202 3.256 -0.054 18332
83 1 . 1 1 19 19 ALA CA C 40 55.690 55.690 55.048 0.642 18332
84 1 . 1 1 19 19 ALA CB C 40 18.317 18.317 18.535 -0.218 18332
85 1 . 1 1 19 19 ALA H H 40 8.457 8.457 8.551 -0.094 18332
86 1 . 1 1 20 20 ALA N N 41 117.582 117.582 120.386 -2.804 18332
87 1 . 1 1 20 20 ALA HA H 41 3.921 3.921 4.051 -0.130 18332
88 1 . 1 1 20 20 ALA CA C 41 55.042 55.042 54.885 0.157 18332
89 1 . 1 1 20 20 ALA CB C 41 17.773 17.773 18.092 -0.319 18332
90 1 . 1 1 20 20 ALA H H 41 7.944 7.944 8.305 -0.361 18332
91 1 . 1 1 21 21 GLY N N 42 109.614 109.614 107.223 2.391 18332
92 1 . 1 1 21 21 GLY CA C 42 47.069 47.069 46.590 0.479 18332
93 1 . 1 1 21 21 GLY H H 42 8.278 8.278 7.571 0.707 18332
94 1 . 1 1 22 22 ILE N N 43 126.734 126.734 123.653 3.081 18332
95 1 . 1 1 22 22 ILE HA H 43 3.731 3.731 3.469 0.263 18332
96 1 . 1 1 22 22 ILE CA C 43 61.614 61.614 63.534 -1.920 18332
97 1 . 1 1 22 22 ILE CB C 43 35.840 35.840 36.860 -1.020 18332
98 1 . 1 1 22 22 ILE H H 43 8.631 8.631 8.213 0.418 18332
99 1 . 1 1 23 23 ALA N N 44 123.871 123.871 121.653 2.218 18332
100 1 . 1 1 23 23 ALA HA H 44 3.676 3.676 3.848 -0.172 18332
101 1 . 1 1 23 23 ALA CA C 44 55.788 55.788 55.527 0.261 18332
102 1 . 1 1 23 23 ALA CB C 44 18.707 18.707 17.807 0.900 18332
103 1 . 1 1 23 23 ALA H H 44 8.347 8.347 8.016 0.331 18332
104 1 . 1 1 24 24 ALA N N 45 117.860 117.860 120.118 -2.258 18332
105 1 . 1 1 24 24 ALA HA H 45 4.047 4.047 4.017 0.030 18332
106 1 . 1 1 24 24 ALA CA C 45 55.068 55.068 54.925 0.143 18332
107 1 . 1 1 24 24 ALA CB C 45 18.177 18.177 18.053 0.124 18332
108 1 . 1 1 24 24 ALA H H 45 7.593 7.593 7.658 -0.065 18332
109 1 . 1 1 25 25 SER N N 46 115.177 115.177 114.670 0.507 18332
110 1 . 1 1 25 25 SER HA H 46 4.103 4.103 4.232 -0.129 18332
111 1 . 1 1 25 25 SER CA C 46 62.044 62.044 61.501 0.543 18332
112 1 . 1 1 25 25 SER CB C 46 63.061 63.061 63.239 -0.178 18332
113 1 . 1 1 25 25 SER H H 46 8.086 8.086 7.970 0.116 18332
114 1 . 1 1 26 26 VAL N N 47 123.762 123.762 122.338 1.424 18332
115 1 . 1 1 26 26 VAL HA H 47 3.831 3.831 3.611 0.221 18332
116 1 . 1 1 26 26 VAL CA C 47 67.401 67.401 65.965 1.436 18332
117 1 . 1 1 26 26 VAL CB C 47 31.775 31.775 31.506 0.269 18332
118 1 . 1 1 26 26 VAL H H 47 8.733 8.733 8.494 0.239 18332
119 1 . 1 1 27 27 LYS N N 48 118.412 118.412 120.017 -1.605 18332
120 1 . 1 1 27 27 LYS HA H 48 3.729 3.729 4.076 -0.347 18332
121 1 . 1 1 27 27 LYS CA C 48 61.242 61.242 60.379 0.863 18332
122 1 . 1 1 27 27 LYS CB C 48 32.696 32.696 32.088 0.608 18332
123 1 . 1 1 27 27 LYS H H 48 7.931 7.931 8.368 -0.437 18332
124 1 . 1 1 28 28 ARG N N 49 116.894 116.894 119.373 -2.479 18332
125 1 . 1 1 28 28 ARG HA H 49 4.123 4.123 4.034 0.089 18332
126 1 . 1 1 28 28 ARG CA C 49 59.414 59.414 59.301 0.113 18332
127 1 . 1 1 28 28 ARG CB C 49 30.338 30.338 29.938 0.400 18332
128 1 . 1 1 28 28 ARG H H 49 7.941 7.941 8.105 -0.164 18332
129 1 . 1 1 29 29 ASP N N 50 119.598 119.598 119.311 0.287 18332
130 1 . 1 1 29 29 ASP HA H 50 4.161 4.161 4.357 -0.196 18332
131 1 . 1 1 29 29 ASP CA C 50 58.581 58.581 57.522 1.059 18332
132 1 . 1 1 29 29 ASP CB C 50 43.769 43.769 40.547 3.222 18332
133 1 . 1 1 29 29 ASP H H 50 8.250 8.250 8.047 0.203 18332
134 1 . 1 1 30 30 TYR N N 51 119.757 119.757 117.654 2.103 18332
135 1 . 1 1 30 30 TYR CA C 51 62.615 62.615 60.835 1.780 18332
136 1 . 1 1 30 30 TYR CB C 51 38.668 38.668 38.204 0.464 18332
137 1 . 1 1 30 30 TYR H H 51 8.680 8.680 7.470 1.210 18332
138 1 . 1 1 31 31 GLN N N 52 115.572 115.572 118.759 -3.187 18332
139 1 . 1 1 31 31 GLN HA H 52 4.126 4.126 3.990 0.136 18332
140 1 . 1 1 31 31 GLN C C 52 178.235 178.235 178.077 0.158 18332
141 1 . 1 1 31 31 GLN CA C 52 59.256 59.256 58.725 0.531 18332
142 1 . 1 1 31 31 GLN H H 52 8.287 8.287 8.436 -0.149 18332
143 1 . 1 1 32 32 GLN N N 53 114.416 114.416 117.915 -3.499 18332
144 1 . 1 1 32 32 GLN C C 53 177.224 177.224 176.893 0.331 18332
145 1 . 1 1 32 32 GLN CA C 53 57.673 57.673 57.370 0.303 18332
146 1 . 1 1 32 32 GLN CB C 53 29.425 29.425 28.739 0.686 18332
147 1 . 1 1 32 32 GLN H H 53 8.848 8.848 8.061 0.787 18332
148 1 . 1 1 45 45 VAL HA H 66 4.239 4.239 4.034 0.205 18332
149 1 . 1 1 45 45 VAL CA C 66 63.712 63.712 63.249 0.463 18332
150 1 . 1 1 45 45 VAL CB C 66 32.252 32.252 31.989 0.263 18332
151 1 . 1 1 46 46 GLY N N 67 108.542 108.542 107.640 0.902 18332
152 1 . 1 1 46 46 GLY CA C 67 45.910 45.910 45.037 0.873 18332
153 1 . 1 1 46 46 GLY H H 67 8.027 8.027 7.885 0.142 18332
154 1 . 1 1 50 50 PRO HA H 71 4.129 4.129 4.600 -0.471 18332
155 1 . 1 1 50 50 PRO C C 71 176.009 176.009 176.283 -0.274 18332
156 1 . 1 1 50 50 PRO CA C 71 62.889 62.889 62.668 0.221 18332
157 1 . 1 1 50 50 PRO CB C 71 32.769 32.769 32.537 0.232 18332
158 1 . 1 1 51 51 VAL N N 72 123.129 123.129 124.000 -0.871 18332
159 1 . 1 1 51 51 VAL HA H 72 4.166 4.166 4.183 -0.017 18332
160 1 . 1 1 51 51 VAL C C 72 174.364 174.364 175.335 -0.971 18332
161 1 . 1 1 51 51 VAL CA C 72 62.794 62.794 61.718 1.075 18332
162 1 . 1 1 51 51 VAL CB C 72 32.947 32.947 32.456 0.491 18332
163 1 . 1 1 51 51 VAL H H 72 8.537 8.537 8.233 0.304 18332
164 1 . 1 1 52 52 ALA N N 73 128.689 128.689 131.528 -2.839 18332
165 1 . 1 1 52 52 ALA HA H 73 5.437 5.437 5.239 0.198 18332
166 1 . 1 1 52 52 ALA C C 73 176.104 176.104 176.847 -0.743 18332
167 1 . 1 1 52 52 ALA CA C 73 50.307 50.307 51.106 -0.799 18332
168 1 . 1 1 52 52 ALA CB C 73 21.672 21.672 20.264 1.408 18332
169 1 . 1 1 52 52 ALA H H 73 8.272 8.272 8.497 -0.225 18332
170 1 . 1 1 53 53 TRP N N 74 122.550 122.550 122.952 -0.402 18332
171 1 . 1 1 53 53 TRP HA H 74 4.890 4.890 5.071 -0.180 18332
172 1 . 1 1 53 53 TRP C C 74 174.515 174.515 173.477 1.038 18332
173 1 . 1 1 53 53 TRP CA C 74 56.883 56.883 55.098 1.786 18332
174 1 . 1 1 53 53 TRP CB C 74 32.120 32.120 31.418 0.702 18332
175 1 . 1 1 53 53 TRP H H 74 9.301 9.301 8.971 0.330 18332
176 1 . 1 1 54 54 VAL HA H 75 4.424 4.424 4.473 -0.049 18332
177 1 . 1 1 54 54 VAL C C 75 174.906 174.906 175.159 -0.253 18332
178 1 . 1 1 54 54 VAL CA C 75 60.326 60.326 59.890 0.436 18332
179 1 . 1 1 54 54 VAL CB C 75 34.985 34.985 34.290 0.695 18332
180 1 . 1 1 55 55 SER N N 76 121.442 121.442 122.986 -1.544 18332
181 1 . 1 1 55 55 SER HA H 76 4.427 4.427 4.646 -0.219 18332
182 1 . 1 1 55 55 SER CA C 76 55.979 55.979 57.197 -1.218 18332
183 1 . 1 1 55 55 SER CB C 76 62.223 62.223 63.668 -1.445 18332
184 1 . 1 1 55 55 SER H H 76 7.855 7.855 8.427 -0.572 18332
185 1 . 1 1 56 56 LEU N N 77 129.932 129.932 129.531 0.400 18332
186 1 . 1 1 56 56 LEU HA H 77 3.829 3.829 4.085 -0.256 18332
187 1 . 1 1 56 56 LEU CA C 77 58.257 58.257 58.380 -0.123 18332
188 1 . 1 1 56 56 LEU CB C 77 41.844 41.844 41.565 0.279 18332
189 1 . 1 1 56 56 LEU H H 77 8.256 8.256 9.130 -0.874 18332
190 1 . 1 1 57 57 GLN N N 78 115.179 115.179 116.866 -1.687 18332
191 1 . 1 1 57 57 GLN HA H 78 4.186 4.186 4.187 -0.001 18332
192 1 . 1 1 57 57 GLN CA C 78 57.730 57.730 58.033 -0.303 18332
193 1 . 1 1 57 57 GLN CB C 78 28.156 28.156 28.187 -0.032 18332
194 1 . 1 1 57 57 GLN H H 78 8.614 8.614 8.601 0.013 18332
195 1 . 1 1 58 58 ASP N N 79 116.803 116.803 116.814 -0.012 18332
196 1 . 1 1 58 58 ASP HA H 79 4.901 4.901 4.734 0.167 18332
197 1 . 1 1 58 58 ASP CA C 79 54.261 54.261 53.562 0.699 18332
198 1 . 1 1 58 58 ASP CB C 79 43.008 43.008 42.076 0.931 18332
199 1 . 1 1 58 58 ASP H H 79 7.486 7.486 7.704 -0.218 18332
200 1 . 1 1 59 59 ILE N N 80 121.887 121.887 121.582 0.305 18332
201 1 . 1 1 59 59 ILE HA H 80 4.344 4.344 3.933 0.411 18332
202 1 . 1 1 59 59 ILE CA C 80 63.397 63.397 61.793 1.604 18332
203 1 . 1 1 59 59 ILE CB C 80 38.796 38.796 36.106 2.690 18332
204 1 . 1 1 59 59 ILE H H 80 7.278 7.278 7.591 -0.313 18332
205 1 . 1 1 60 60 GLN N N 81 126.140 126.140 126.788 -0.648 18332
206 1 . 1 1 60 60 GLN HA H 81 4.983 4.983 4.835 0.148 18332
207 1 . 1 1 60 60 GLN CA C 81 54.165 54.165 54.142 0.023 18332
208 1 . 1 1 60 60 GLN CB C 81 32.639 32.639 32.938 -0.298 18332
209 1 . 1 1 60 60 GLN H H 81 8.318 8.318 8.278 0.040 18332
210 1 . 1 1 61 61 GLY N N 82 111.215 111.215 107.831 3.384 18332
211 1 . 1 1 61 61 GLY CA C 82 45.844 45.844 44.894 0.950 18332
212 1 . 1 1 61 61 GLY H H 82 8.484 8.484 8.264 0.220 18332
213 1 . 1 1 62 62 LYS N N 83 119.467 119.467 120.312 -0.845 18332
214 1 . 1 1 62 62 LYS HA H 83 3.986 3.986 4.403 -0.417 18332
215 1 . 1 1 62 62 LYS CA C 83 56.248 56.248 54.674 1.574 18332
216 1 . 1 1 62 62 LYS CB C 83 34.501 34.501 35.095 -0.594 18332
217 1 . 1 1 62 62 LYS H H 83 7.669 7.669 8.030 -0.361 18332
218 1 . 1 1 63 63 ASP N N 84 124.240 124.240 123.307 0.933 18332
219 1 . 1 1 63 63 ASP HA H 84 4.181 4.181 4.196 -0.015 18332
220 1 . 1 1 63 63 ASP CA C 84 56.029 56.029 56.904 -0.875 18332
221 1 . 1 1 63 63 ASP CB C 84 39.258 39.258 40.357 -1.099 18332
222 1 . 1 1 63 63 ASP H H 84 9.052 9.052 8.924 0.128 18332
223 1 . 1 1 64 64 ASP N N 85 110.367 110.367 115.392 -5.025 18332
224 1 . 1 1 64 64 ASP HA H 85 4.240 4.240 4.673 -0.433 18332
225 1 . 1 1 64 64 ASP CA C 85 56.115 56.115 53.973 2.142 18332
226 1 . 1 1 64 64 ASP CB C 85 40.468 40.468 42.746 -2.277 18332
227 1 . 1 1 64 64 ASP H H 85 8.261 8.261 8.264 -0.003 18332
228 1 . 1 1 65 65 LYS N N 86 119.587 119.587 121.520 -1.932 18332
229 1 . 1 1 65 65 LYS HA H 86 5.352 5.352 5.505 -0.153 18332
230 1 . 1 1 65 65 LYS CA C 86 55.218 55.218 55.289 -0.071 18332
231 1 . 1 1 65 65 LYS CB C 86 34.418 34.418 34.676 -0.258 18332
232 1 . 1 1 65 65 LYS H H 86 7.460 7.460 7.699 -0.239 18332
233 1 . 1 1 66 66 TRP N N 87 121.490 121.490 123.904 -2.413 18332
234 1 . 1 1 66 66 TRP HA H 87 5.307 5.307 5.209 0.098 18332
235 1 . 1 1 66 66 TRP C C 87 175.839 175.839 175.446 0.393 18332
236 1 . 1 1 66 66 TRP CA C 87 55.834 55.834 56.058 -0.223 18332
237 1 . 1 1 66 66 TRP CB C 87 34.217 34.217 33.578 0.639 18332
238 1 . 1 1 66 66 TRP H H 87 8.903 8.903 9.185 -0.282 18332
239 1 . 1 1 67 67 SER N N 88 118.488 118.488 115.694 2.794 18332
240 1 . 1 1 67 67 SER HA H 88 5.236 5.236 5.666 -0.430 18332
241 1 . 1 1 67 67 SER CA C 88 57.197 57.197 56.358 0.839 18332
242 1 . 1 1 67 67 SER CB C 88 63.945 63.945 64.987 -1.042 18332
243 1 . 1 1 67 67 SER H H 88 9.382 9.382 9.465 -0.083 18332
244 1 . 1 1 68 68 VAL N N 89 127.693 127.693 127.340 0.353 18332
245 1 . 1 1 68 68 VAL HA H 89 4.620 4.620 4.447 0.173 18332
246 1 . 1 1 68 68 VAL CA C 89 59.246 59.246 59.431 -0.185 18332
247 1 . 1 1 68 68 VAL CB C 89 35.649 35.649 32.418 3.231 18332
248 1 . 1 1 68 68 VAL H H 89 9.360 9.360 8.598 0.762 18332
249 1 . 1 1 69 69 PRO HA H 90 4.077 4.077 4.418 -0.342 18332
250 1 . 1 1 69 69 PRO C C 90 174.726 174.726 175.774 -1.048 18332
251 1 . 1 1 69 69 PRO CA C 90 61.967 61.967 62.546 -0.579 18332
252 1 . 1 1 69 69 PRO CB C 90 31.095 31.095 31.822 -0.727 18332
253 1 . 1 1 70 70 LEU N N 91 126.522 126.522 123.475 3.048 18332
254 1 . 1 1 70 70 LEU HA H 91 4.818 4.818 4.387 0.431 18332
255 1 . 1 1 70 70 LEU C C 91 173.906 173.906 176.272 -2.367 18332
256 1 . 1 1 70 70 LEU CA C 91 53.978 53.978 54.487 -0.509 18332
257 1 . 1 1 70 70 LEU CB C 91 46.386 46.386 41.643 4.743 18332
258 1 . 1 1 70 70 LEU H H 91 8.767 8.767 8.268 0.499 18332
259 1 . 1 1 71 71 THR HA H 92 5.105 5.105 4.389 0.716 18332
260 1 . 1 1 71 71 THR H H 92 9.034 9.034 8.193 0.841 18332
261 1 . 1 1 72 72 VAL HA H 93 4.532 4.532 4.874 -0.342 18332
262 1 . 1 1 72 72 VAL CA C 93 61.333 61.333 60.060 1.273 18332
263 1 . 1 1 72 72 VAL CB C 93 33.826 33.826 34.631 -0.805 18332
264 1 . 1 1 73 73 ARG N N 94 126.565 126.565 127.821 -1.257 18332
265 1 . 1 1 73 73 ARG HA H 94 4.900 4.900 4.524 0.377 18332
266 1 . 1 1 73 73 ARG CA C 94 55.931 55.931 55.572 0.359 18332
267 1 . 1 1 73 73 ARG CB C 94 31.104 31.104 29.982 1.122 18332
268 1 . 1 1 73 73 ARG H H 94 8.833 8.833 8.645 0.188 18332
269 1 . 1 1 74 74 GLY N N 95 112.938 112.938 111.180 1.758 18332
270 1 . 1 1 74 74 GLY CA C 95 44.454 44.454 44.908 -0.454 18332
271 1 . 1 1 74 74 GLY H H 95 8.562 8.562 8.094 0.468 18332
272 1 . 1 1 75 75 LYS N N 96 119.229 119.229 120.930 -1.701 18332
273 1 . 1 1 75 75 LYS HA H 96 4.243 4.243 4.392 -0.149 18332
274 1 . 1 1 75 75 LYS CA C 96 59.295 59.295 57.484 1.811 18332
275 1 . 1 1 75 75 LYS CB C 96 32.597 32.597 32.753 -0.156 18332
276 1 . 1 1 75 75 LYS H H 96 8.074 8.074 8.473 -0.399 18332
277 1 . 1 1 76 76 SER N N 97 111.880 111.880 114.455 -2.575 18332
278 1 . 1 1 76 76 SER HA H 97 4.625 4.625 4.462 0.163 18332
279 1 . 1 1 76 76 SER CA C 97 58.593 58.593 57.967 0.626 18332
280 1 . 1 1 76 76 SER CB C 97 64.106 64.106 63.496 0.610 18332
281 1 . 1 1 76 76 SER H H 97 8.828 8.828 8.044 0.784 18332
282 1 . 1 1 77 77 ALA N N 98 122.995 122.995 124.273 -1.278 18332
283 1 . 1 1 77 77 ALA HA H 98 4.121 4.121 4.540 -0.419 18332
284 1 . 1 1 77 77 ALA CA C 98 51.218 51.218 51.593 -0.375 18332
285 1 . 1 1 77 77 ALA CB C 98 21.866 21.866 20.148 1.718 18332
286 1 . 1 1 77 77 ALA H H 98 7.341 7.341 7.367 -0.026 18332
287 1 . 1 1 78 78 ASP N N 99 115.649 115.649 121.210 -5.561 18332
288 1 . 1 1 78 78 ASP HA H 99 5.435 5.435 4.788 0.647 18332
289 1 . 1 1 78 78 ASP CA C 99 52.144 52.144 53.631 -1.488 18332
290 1 . 1 1 78 78 ASP CB C 99 43.392 43.392 43.203 0.189 18332
291 1 . 1 1 78 78 ASP H H 99 8.206 8.206 8.385 -0.179 18332
292 1 . 1 1 79 79 ILE N N 100 120.032 120.032 118.926 1.107 18332
293 1 . 1 1 79 79 ILE HA H 100 4.177 4.177 4.528 -0.351 18332
294 1 . 1 1 79 79 ILE CA C 100 60.560 60.560 60.227 0.333 18332
295 1 . 1 1 79 79 ILE CB C 100 41.095 41.095 39.213 1.882 18332
296 1 . 1 1 79 79 ILE H H 100 9.039 9.039 8.271 0.768 18332
297 1 . 1 1 83 83 VAL HA H 104 4.779 4.779 4.721 0.057 18332
298 1 . 1 1 83 83 VAL CA C 104 61.192 61.192 61.878 -0.686 18332
299 1 . 1 1 83 83 VAL CB C 104 31.896 31.896 33.420 -1.523 18332
300 1 . 1 1 84 84 SER N N 105 124.376 124.376 123.409 0.967 18332
301 1 . 1 1 84 84 SER HA H 105 5.393 5.393 5.232 0.161 18332
302 1 . 1 1 84 84 SER CA C 105 56.419 56.419 57.473 -1.054 18332
303 1 . 1 1 84 84 SER CB C 105 63.496 63.496 63.700 -0.204 18332
304 1 . 1 1 84 84 SER H H 105 8.973 8.973 8.798 0.175 18332
305 1 . 1 1 85 85 VAL N N 106 127.349 127.349 128.401 -1.052 18332
306 1 . 1 1 85 85 VAL HA H 106 4.090 4.090 4.364 -0.275 18332
307 1 . 1 1 85 85 VAL CA C 106 61.843 61.843 61.814 0.029 18332
308 1 . 1 1 85 85 VAL CB C 106 34.995 34.995 33.001 1.994 18332
309 1 . 1 1 85 85 VAL H H 106 9.254 9.254 9.231 0.023 18332
310 1 . 1 1 86 86 ASP N N 107 126.522 126.522 128.434 -1.912 18332
311 1 . 1 1 86 86 ASP HA H 107 5.149 5.149 5.120 0.029 18332
312 1 . 1 1 86 86 ASP CA C 107 52.528 52.528 53.903 -1.375 18332
313 1 . 1 1 86 86 ASP CB C 107 41.694 41.694 42.193 -0.499 18332
314 1 . 1 1 86 86 ASP H H 107 8.877 8.877 8.707 0.170 18332
315 1 . 1 1 87 87 CYS N N 108 120.863 120.863 125.947 -5.084 18332
316 1 . 1 1 87 87 CYS HA H 108 4.828 4.828 4.352 0.476 18332
317 1 . 1 1 87 87 CYS CA C 108 57.070 57.070 61.114 -4.044 18332
318 1 . 1 1 87 87 CYS CB C 108 40.994 40.994 27.779 13.215 18332
319 1 . 1 1 87 87 CYS H H 108 8.989 8.989 9.346 -0.357 18332
320 1 . 1 1 88 88 LYS N N 109 118.800 118.800 120.102 -1.302 18332
321 1 . 1 1 88 88 LYS HA H 109 4.384 4.384 4.174 0.210 18332
322 1 . 1 1 88 88 LYS CA C 109 58.418 58.418 58.471 -0.053 18332
323 1 . 1 1 88 88 LYS CB C 109 32.625 32.625 31.914 0.711 18332
324 1 . 1 1 88 88 LYS H H 109 8.374 8.374 8.674 -0.300 18332
325 1 . 1 1 89 89 ALA N N 110 119.495 119.495 119.150 0.345 18332
326 1 . 1 1 89 89 ALA HA H 110 4.285 4.285 4.387 -0.102 18332
327 1 . 1 1 89 89 ALA CA C 110 52.221 52.221 52.058 0.163 18332
328 1 . 1 1 89 89 ALA CB C 110 19.837 19.837 19.870 -0.033 18332
329 1 . 1 1 89 89 ALA H H 110 7.777 7.777 7.758 0.019 18332
330 1 . 1 1 90 90 GLY N N 111 107.111 107.111 106.565 0.546 18332
331 1 . 1 1 90 90 GLY CA C 111 47.745 47.745 45.150 2.595 18332
332 1 . 1 1 90 90 GLY H H 111 8.084 8.084 7.639 0.445 18332
333 1 . 1 1 91 91 MET N N 112 118.682 118.682 118.041 0.641 18332
334 1 . 1 1 91 91 MET HA H 112 5.426 5.426 4.668 0.758 18332
335 1 . 1 1 91 91 MET CA C 112 53.755 53.755 54.114 -0.359 18332
336 1 . 1 1 91 91 MET CB C 112 37.293 37.293 36.902 0.391 18332
337 1 . 1 1 91 91 MET H H 112 7.731 7.731 7.831 -0.100 18332
338 1 . 1 1 92 92 ALA N N 113 123.295 123.295 121.981 1.314 18332
339 1 . 1 1 92 92 ALA HA H 113 5.297 5.297 5.322 -0.025 18332
340 1 . 1 1 92 92 ALA CA C 113 50.306 50.306 51.401 -1.095 18332
341 1 . 1 1 92 92 ALA CB C 113 23.342 23.342 21.501 1.841 18332
342 1 . 1 1 92 92 ALA H H 113 9.225 9.225 8.353 0.872 18332
343 1 . 1 1 93 93 GLU N N 114 120.553 120.553 125.093 -4.540 18332
344 1 . 1 1 93 93 GLU HA H 114 5.348 5.348 4.620 0.728 18332
345 1 . 1 1 93 93 GLU CA C 114 54.721 54.721 54.896 -0.175 18332
346 1 . 1 1 93 93 GLU CB C 114 32.530 32.530 31.314 1.216 18332
347 1 . 1 1 93 93 GLU H H 114 8.840 8.840 8.756 0.084 18332
stop_
save_