data_19444
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19444
_Entry.PDB_ID 2MCK
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 19444
_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 59 59 ALA N N 59 123.352 123.352 125.386 -2.034 19444
2 1 1 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.603 -0.319 19444
3 1 1 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.903 0.393 19444
4 1 1 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.886 -1.253 19444
5 1 1 . 1 1 59 59 ALA H H 59 7.997 7.997 8.314 -0.317 19444
6 1 1 . 1 1 60 60 LEU N N 60 120.985 120.985 121.359 -0.374 19444
7 1 1 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.459 -0.006 19444
8 1 1 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.522 -0.235 19444
9 1 1 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.150 0.105 19444
10 1 1 . 1 1 60 60 LEU H H 60 8.169 8.169 8.384 -0.215 19444
11 1 1 . 1 1 61 61 ALA N N 61 125.303 125.303 125.552 -0.249 19444
12 1 1 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.540 -0.043 19444
13 1 1 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.824 0.403 19444
14 1 1 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.436 -0.259 19444
15 1 1 . 1 1 61 61 ALA H H 61 8.445 8.445 8.198 0.247 19444
16 1 1 . 1 1 62 62 ALA N N 62 127.804 127.804 126.752 1.052 19444
17 1 1 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.609 -0.293 19444
18 1 1 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.434 0.576 19444
19 1 1 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.760 -0.775 19444
20 1 1 . 1 1 62 62 ALA H H 62 8.583 8.583 9.053 -0.470 19444
21 1 1 . 1 1 63 63 LEU N N 63 120.096 120.096 122.063 -1.967 19444
22 1 1 . 1 1 63 63 LEU HA H 63 4.884 4.884 5.000 -0.116 19444
23 1 1 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.809 -0.917 19444
24 1 1 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.223 -1.091 19444
25 1 1 . 1 1 63 63 LEU H H 63 8.077 8.077 8.296 -0.219 19444
26 1 1 . 1 1 64 64 HIS N N 64 122.245 122.245 118.929 3.316 19444
27 1 1 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.592 -0.352 19444
28 1 1 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.061 0.965 19444
29 1 1 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.453 -0.115 19444
30 1 1 . 1 1 64 64 HIS H H 64 8.629 8.629 8.710 -0.081 19444
31 1 1 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.303 0.047 19444
32 1 1 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.133 0.216 19444
33 1 1 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.709 0.009 19444
34 1 1 . 1 1 66 66 ASP N N 66 115.211 115.211 115.103 0.108 19444
35 1 1 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.733 -0.044 19444
36 1 1 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.252 -0.730 19444
37 1 1 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.786 -0.035 19444
38 1 1 . 1 1 66 66 ASP H H 66 7.869 7.869 7.793 0.076 19444
39 1 1 . 1 1 67 67 GLY N N 67 105.349 105.349 109.742 -4.393 19444
40 1 1 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.061 0.205 19444
41 1 1 . 1 1 67 67 GLY H H 67 8.441 8.441 8.378 0.063 19444
42 1 1 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.252 -0.133 19444
43 1 1 . 1 1 68 68 PRO CA C 68 64.204 64.204 64.988 -0.784 19444
44 1 1 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.606 -0.085 19444
45 1 1 . 1 1 69 69 HIS N N 69 116.893 116.893 115.352 1.541 19444
46 1 1 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.725 -0.040 19444
47 1 1 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.638 0.348 19444
48 1 1 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.325 0.152 19444
49 1 1 . 1 1 69 69 HIS H H 69 8.503 8.503 8.115 0.388 19444
50 1 1 . 1 1 70 70 ALA N N 70 120.705 120.705 122.019 -1.314 19444
51 1 1 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.108 -0.541 19444
52 1 1 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.684 0.094 19444
53 1 1 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.277 -0.077 19444
54 1 1 . 1 1 70 70 ALA H H 70 6.892 6.892 7.497 -0.605 19444
55 1 1 . 1 1 71 71 GLY N N 71 109.407 109.407 112.569 -3.162 19444
56 1 1 . 1 1 71 71 GLY CA C 71 45.346 45.346 44.994 0.352 19444
57 1 1 . 1 1 71 71 GLY H H 71 9.144 9.144 8.980 0.164 19444
58 1 1 . 1 1 72 72 LEU N N 72 119.969 119.969 122.795 -2.826 19444
59 1 1 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.676 0.184 19444
60 1 1 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.123 -0.047 19444
61 1 1 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.547 -0.083 19444
62 1 1 . 1 1 72 72 LEU H H 72 8.255 8.255 8.119 0.136 19444
63 1 1 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.647 0.191 19444
64 1 1 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.790 -1.280 19444
65 1 1 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.186 -0.779 19444
66 1 1 . 1 1 74 74 VAL N N 74 121.438 121.438 119.911 1.527 19444
67 1 1 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.923 -0.434 19444
68 1 1 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.345 1.308 19444
69 1 1 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.261 -0.938 19444
70 1 1 . 1 1 74 74 VAL H H 74 7.729 7.729 8.364 -0.635 19444
71 1 1 . 1 1 75 75 THR N N 75 108.826 108.826 109.163 -0.337 19444
72 1 1 . 1 1 75 75 THR HA H 75 5.015 5.015 4.564 0.451 19444
73 1 1 . 1 1 75 75 THR CA C 75 59.822 59.822 59.180 0.642 19444
74 1 1 . 1 1 75 75 THR CB C 75 74.087 74.087 71.762 2.325 19444
75 1 1 . 1 1 75 75 THR H H 75 8.763 8.763 8.100 0.663 19444
76 1 1 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.762 0.168 19444
77 1 1 . 1 1 77 77 SER N N 77 114.493 114.493 114.454 0.039 19444
78 1 1 . 1 1 77 77 SER HA H 77 4.133 4.133 4.146 -0.013 19444
79 1 1 . 1 1 77 77 SER CA C 77 60.600 60.600 61.599 -0.999 19444
80 1 1 . 1 1 77 77 SER CB C 77 62.378 62.378 62.900 -0.522 19444
81 1 1 . 1 1 77 77 SER H H 77 8.231 8.231 7.911 0.320 19444
82 1 1 . 1 1 78 78 ASP N N 78 120.698 120.698 122.794 -2.096 19444
83 1 1 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.294 0.114 19444
84 1 1 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.487 0.592 19444
85 1 1 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.402 2.932 19444
86 1 1 . 1 1 78 78 ASP H H 78 7.388 7.388 8.039 -0.651 19444
87 1 1 . 1 1 79 79 ALA N N 79 120.570 120.570 122.593 -2.023 19444
88 1 1 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.845 -0.121 19444
89 1 1 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.081 -0.180 19444
90 1 1 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.183 1.563 19444
91 1 1 . 1 1 79 79 ALA H H 79 7.873 7.873 8.258 -0.386 19444
92 1 1 . 1 1 80 80 ARG N N 80 116.347 116.347 118.979 -2.632 19444
93 1 1 . 1 1 80 80 ARG HA H 80 3.808 3.808 3.942 -0.134 19444
94 1 1 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.506 2.061 19444
95 1 1 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.201 0.230 19444
96 1 1 . 1 1 80 80 ARG H H 80 8.117 8.117 8.083 0.034 19444
97 1 1 . 1 1 81 81 VAL N N 81 119.158 119.158 120.426 -1.268 19444
98 1 1 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.868 -0.200 19444
99 1 1 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.747 0.166 19444
100 1 1 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.747 0.025 19444
101 1 1 . 1 1 81 81 VAL H H 81 7.373 7.373 8.119 -0.746 19444
102 1 1 . 1 1 82 82 LEU N N 82 118.515 118.515 121.742 -3.227 19444
103 1 1 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.865 0.247 19444
104 1 1 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.687 -0.432 19444
105 1 1 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.909 -0.405 19444
106 1 1 . 1 1 82 82 LEU H H 82 7.589 7.589 8.366 -0.777 19444
107 1 1 . 1 1 83 83 ILE N N 83 121.181 121.181 119.323 1.858 19444
108 1 1 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.662 0.112 19444
109 1 1 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.800 0.031 19444
110 1 1 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.998 0.590 19444
111 1 1 . 1 1 83 83 ILE H H 83 8.755 8.755 8.286 0.469 19444
112 1 1 . 1 1 84 84 PHE N N 84 123.192 123.192 120.645 2.547 19444
113 1 1 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.129 0.033 19444
114 1 1 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.217 0.439 19444
115 1 1 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.215 -0.151 19444
116 1 1 . 1 1 84 84 PHE H H 84 8.683 8.683 8.724 -0.041 19444
117 1 1 . 1 1 85 85 ASN N N 85 118.056 118.056 118.558 -0.502 19444
118 1 1 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.295 0.170 19444
119 1 1 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.434 -0.287 19444
120 1 1 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.566 -0.663 19444
121 1 1 . 1 1 85 85 ASN H H 85 8.892 8.892 8.694 0.198 19444
122 1 1 . 1 1 86 86 ASP N N 86 120.374 120.374 120.986 -0.612 19444
123 1 1 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.352 0.100 19444
124 1 1 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.755 -0.458 19444
125 1 1 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.965 1.302 19444
126 1 1 . 1 1 86 86 ASP H H 86 8.146 8.146 8.366 -0.220 19444
127 1 1 . 1 1 87 87 TRP N N 87 121.401 121.401 121.632 -0.231 19444
128 1 1 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.110 -0.153 19444
129 1 1 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.919 -0.132 19444
130 1 1 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.582 -1.637 19444
131 1 1 . 1 1 87 87 TRP H H 87 8.121 8.121 8.500 -0.379 19444
132 1 1 . 1 1 88 88 GLU N N 88 117.779 117.779 118.095 -0.316 19444
133 1 1 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.161 -0.215 19444
134 1 1 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.721 -0.051 19444
135 1 1 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.965 0.575 19444
136 1 1 . 1 1 88 88 GLU H H 88 8.613 8.613 8.448 0.165 19444
137 1 1 . 1 1 89 89 GLU N N 89 116.209 116.209 119.815 -3.606 19444
138 1 1 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.871 0.130 19444
139 1 1 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.364 -0.874 19444
140 1 1 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.527 0.361 19444
141 1 1 . 1 1 89 89 GLU H H 89 7.456 7.456 7.976 -0.520 19444
142 1 1 . 1 1 90 90 ARG N N 90 119.957 119.957 118.421 1.536 19444
143 1 1 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.969 -0.016 19444
144 1 1 . 1 1 90 90 ARG CA C 90 58.577 58.577 57.813 0.764 19444
145 1 1 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.651 2.080 19444
146 1 1 . 1 1 90 90 ARG H H 90 8.134 8.134 8.173 -0.039 19444
147 1 1 . 1 1 91 91 LYS N N 91 118.871 118.871 120.336 -1.465 19444
148 1 1 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.052 -0.380 19444
149 1 1 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.141 -0.431 19444
150 1 1 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.509 -1.004 19444
151 1 1 . 1 1 91 91 LYS H H 91 8.325 8.325 8.108 0.217 19444
152 1 1 . 1 1 92 92 ARG N N 92 117.453 117.453 118.686 -1.233 19444
153 1 1 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.950 -0.075 19444
154 1 1 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.433 0.448 19444
155 1 1 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.082 -0.298 19444
156 1 1 . 1 1 92 92 ARG H H 92 7.069 7.069 7.878 -0.809 19444
157 1 1 . 1 1 93 93 SER N N 93 110.842 110.842 113.839 -2.997 19444
158 1 1 . 1 1 93 93 SER HA H 93 4.513 4.513 4.225 0.288 19444
159 1 1 . 1 1 93 93 SER CA C 93 58.762 58.762 60.356 -1.594 19444
160 1 1 . 1 1 93 93 SER CB C 93 64.164 64.164 63.938 0.226 19444
161 1 1 . 1 1 93 93 SER H H 93 7.427 7.427 7.701 -0.274 19444
162 1 1 . 1 1 94 94 GLU N N 94 121.732 121.732 119.074 2.658 19444
163 1 1 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.037 -0.360 19444
164 1 1 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.651 0.235 19444
165 1 1 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.110 -0.056 19444
166 1 1 . 1 1 94 94 GLU H H 94 7.629 7.629 7.704 -0.075 19444
167 1 1 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.398 -0.090 19444
168 1 1 . 1 1 95 95 PRO CA C 95 64.631 64.631 63.951 0.680 19444
169 1 1 . 1 1 95 95 PRO CB C 95 31.484 31.484 32.041 -0.557 19444
170 1 1 . 1 1 96 96 TRP N N 96 115.321 115.321 116.185 -0.864 19444
171 1 1 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.721 -0.066 19444
172 1 1 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.240 2.526 19444
173 1 1 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.383 -0.367 19444
174 1 1 . 1 1 96 96 TRP H H 96 6.840 6.840 6.885 -0.045 19444
175 1 1 . 1 1 97 97 LEU N N 97 125.159 125.159 123.510 1.649 19444
176 1 1 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.264 -0.087 19444
177 1 1 . 1 1 97 97 LEU CA C 97 56.099 56.099 55.088 1.011 19444
178 1 1 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.251 0.977 19444
179 1 1 . 1 1 97 97 LEU H H 97 7.287 7.287 7.293 -0.006 19444
180 1 1 . 1 1 98 98 ARG N N 98 128.515 128.515 127.955 0.560 19444
181 1 1 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.530 0.058 19444
182 1 1 . 1 1 98 98 ARG CA C 98 55.090 55.090 54.413 0.677 19444
183 1 1 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.095 0.241 19444
184 1 1 . 1 1 98 98 ARG H H 98 8.898 8.898 8.568 0.330 19444
185 1 1 . 1 1 99 99 LEU N N 99 127.834 127.834 123.831 4.003 19444
186 1 1 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.199 -0.603 19444
187 1 1 . 1 1 99 99 LEU CA C 99 54.578 54.578 53.635 0.943 19444
188 1 1 . 1 1 99 99 LEU CB C 99 40.174 40.174 43.238 -3.064 19444
189 1 1 . 1 1 99 99 LEU H H 99 8.362 8.362 8.082 0.280 19444
190 1 1 . 1 1 100 100 ASP N N 100 127.038 127.038 126.533 0.505 19444
191 1 1 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.551 0.161 19444
192 1 1 . 1 1 100 100 ASP CA C 100 53.014 53.014 53.803 -0.789 19444
193 1 1 . 1 1 100 100 ASP CB C 100 41.398 41.398 42.050 -0.652 19444
194 1 1 . 1 1 100 100 ASP H H 100 7.998 7.998 8.450 -0.452 19444
195 1 1 . 1 1 101 101 MET N N 101 122.551 122.551 119.177 3.374 19444
196 1 1 . 1 1 101 101 MET HA H 101 4.533 4.533 4.780 -0.247 19444
197 1 1 . 1 1 101 101 MET CA C 101 53.583 53.583 54.665 -1.082 19444
198 1 1 . 1 1 101 101 MET CB C 101 33.400 33.400 33.740 -0.340 19444
199 1 1 . 1 1 101 101 MET H H 101 8.761 8.761 8.012 0.749 19444
200 1 1 . 1 1 102 102 SER N N 102 116.261 116.261 116.777 -0.516 19444
201 1 1 . 1 1 102 102 SER HA H 102 4.191 4.191 4.377 -0.186 19444
202 1 1 . 1 1 102 102 SER CA C 102 58.655 58.655 58.158 0.497 19444
203 1 1 . 1 1 102 102 SER CB C 102 64.764 64.764 64.344 0.420 19444
204 1 1 . 1 1 102 102 SER H H 102 8.212 8.212 8.007 0.205 19444
205 1 1 . 1 1 103 103 ASP N N 103 121.700 121.700 123.101 -1.401 19444
206 1 1 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.085 -0.272 19444
207 1 1 . 1 1 103 103 ASP CA C 103 57.468 57.468 58.450 -0.982 19444
208 1 1 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.399 -1.615 19444
209 1 1 . 1 1 103 103 ASP H H 103 8.791 8.791 8.901 -0.110 19444
210 1 1 . 1 1 104 104 LYS N N 104 116.308 116.308 119.441 -3.133 19444
211 1 1 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.167 -0.386 19444
212 1 1 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.982 0.857 19444
213 1 1 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.879 0.293 19444
214 1 1 . 1 1 104 104 LYS H H 104 7.886 7.886 8.194 -0.308 19444
215 1 1 . 1 1 105 105 ALA N N 105 122.364 122.364 122.056 0.308 19444
216 1 1 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.156 -0.196 19444
217 1 1 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.994 0.044 19444
218 1 1 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.270 -0.329 19444
219 1 1 . 1 1 105 105 ALA H H 105 7.343 7.343 7.808 -0.465 19444
220 1 1 . 1 1 106 106 ILE N N 106 119.713 119.713 119.239 0.474 19444
221 1 1 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.640 -0.162 19444
222 1 1 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.690 0.508 19444
223 1 1 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.756 -0.233 19444
224 1 1 . 1 1 106 106 ILE H H 106 8.124 8.124 8.178 -0.054 19444
225 1 1 . 1 1 107 107 PHE N N 107 117.557 117.557 118.649 -1.092 19444
226 1 1 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.624 -0.178 19444
227 1 1 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.561 -2.634 19444
228 1 1 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.989 -0.725 19444
229 1 1 . 1 1 107 107 PHE H H 107 8.448 8.448 8.004 0.444 19444
230 1 1 . 1 1 108 108 ARG N N 108 117.407 117.407 118.840 -1.433 19444
231 1 1 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.265 -0.182 19444
232 1 1 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.072 0.557 19444
233 1 1 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.950 0.510 19444
234 1 1 . 1 1 108 108 ARG H H 108 7.568 7.568 8.419 -0.851 19444
235 1 1 . 1 1 109 109 ARG N N 109 117.561 117.561 118.910 -1.349 19444
236 1 1 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.084 -0.086 19444
237 1 1 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.550 -0.995 19444
238 1 1 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.240 0.347 19444
239 1 1 . 1 1 109 109 ARG H H 109 7.281 7.281 8.012 -0.731 19444
240 1 1 . 1 1 110 110 TYR N N 110 116.115 116.115 117.298 -1.183 19444
241 1 1 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.120 0.208 19444
242 1 1 . 1 1 110 110 TYR CA C 110 54.502 54.502 54.922 -0.420 19444
243 1 1 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.307 -0.818 19444
244 1 1 . 1 1 110 110 TYR H H 110 8.877 8.877 8.258 0.619 19444
245 1 1 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.679 -0.200 19444
246 1 1 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.284 0.509 19444
247 1 1 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.113 -0.442 19444
248 1 1 . 1 1 112 112 HIS N N 112 116.277 116.277 116.973 -0.696 19444
249 1 1 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.515 -0.083 19444
250 1 1 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.600 0.874 19444
251 1 1 . 1 1 112 112 HIS CB C 112 28.821 28.821 28.097 0.724 19444
252 1 1 . 1 1 112 112 HIS H H 112 8.300 8.300 8.463 -0.163 19444
253 1 1 . 1 1 113 113 LEU N N 113 120.770 120.770 119.237 1.533 19444
254 1 1 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.118 -0.017 19444
255 1 1 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.657 -1.454 19444
256 1 1 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.682 1.195 19444
257 1 1 . 1 1 113 113 LEU H H 113 7.518 7.518 7.183 0.335 19444
258 1 2 . 1 1 59 59 ALA N N 59 123.352 123.352 125.530 -2.178 19444
259 1 2 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.575 -0.291 19444
260 1 2 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.986 0.310 19444
261 1 2 . 1 1 59 59 ALA CB C 59 19.633 19.633 21.169 -1.536 19444
262 1 2 . 1 1 59 59 ALA H H 59 7.997 7.997 8.466 -0.469 19444
263 1 2 . 1 1 60 60 LEU N N 60 120.985 120.985 120.857 0.128 19444
264 1 2 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.366 0.087 19444
265 1 2 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.874 -0.588 19444
266 1 2 . 1 1 60 60 LEU CB C 60 43.255 43.255 42.833 0.422 19444
267 1 2 . 1 1 60 60 LEU H H 60 8.169 8.169 8.361 -0.192 19444
268 1 2 . 1 1 61 61 ALA N N 61 125.303 125.303 124.568 0.735 19444
269 1 2 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.596 -0.099 19444
270 1 2 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.690 0.537 19444
271 1 2 . 1 1 61 61 ALA CB C 61 20.176 20.176 21.531 -1.355 19444
272 1 2 . 1 1 61 61 ALA H H 61 8.445 8.445 8.000 0.445 19444
273 1 2 . 1 1 62 62 ALA N N 62 127.804 127.804 125.961 1.843 19444
274 1 2 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.641 -0.325 19444
275 1 2 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.222 0.787 19444
276 1 2 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.854 -0.869 19444
277 1 2 . 1 1 62 62 ALA H H 62 8.583 8.583 9.027 -0.444 19444
278 1 2 . 1 1 63 63 LEU N N 63 120.096 120.096 121.488 -1.392 19444
279 1 2 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.983 -0.099 19444
280 1 2 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.822 -0.930 19444
281 1 2 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.301 -1.169 19444
282 1 2 . 1 1 63 63 LEU H H 63 8.077 8.077 8.236 -0.159 19444
283 1 2 . 1 1 64 64 HIS N N 64 122.245 122.245 119.147 3.098 19444
284 1 2 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.603 -0.363 19444
285 1 2 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.003 1.023 19444
286 1 2 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.275 0.063 19444
287 1 2 . 1 1 64 64 HIS H H 64 8.629 8.629 8.714 -0.085 19444
288 1 2 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.283 0.067 19444
289 1 2 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.265 0.084 19444
290 1 2 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.670 0.048 19444
291 1 2 . 1 1 66 66 ASP N N 66 115.211 115.211 114.874 0.337 19444
292 1 2 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.734 -0.045 19444
293 1 2 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.253 -0.731 19444
294 1 2 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.836 -0.085 19444
295 1 2 . 1 1 66 66 ASP H H 66 7.869 7.869 7.798 0.071 19444
296 1 2 . 1 1 67 67 GLY N N 67 105.349 105.349 109.716 -4.367 19444
297 1 2 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.018 0.248 19444
298 1 2 . 1 1 67 67 GLY H H 67 8.441 8.441 8.368 0.073 19444
299 1 2 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.245 -0.126 19444
300 1 2 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.001 -0.797 19444
301 1 2 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.616 -0.095 19444
302 1 2 . 1 1 69 69 HIS N N 69 116.893 116.893 115.440 1.453 19444
303 1 2 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.729 -0.044 19444
304 1 2 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.638 0.348 19444
305 1 2 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.303 0.174 19444
306 1 2 . 1 1 69 69 HIS H H 69 8.503 8.503 8.180 0.323 19444
307 1 2 . 1 1 70 70 ALA N N 70 120.705 120.705 122.010 -1.305 19444
308 1 2 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.119 -0.552 19444
309 1 2 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.694 0.085 19444
310 1 2 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.291 -0.091 19444
311 1 2 . 1 1 70 70 ALA H H 70 6.892 6.892 7.424 -0.532 19444
312 1 2 . 1 1 71 71 GLY N N 71 109.407 109.407 113.874 -4.467 19444
313 1 2 . 1 1 71 71 GLY CA C 71 45.346 45.346 44.997 0.349 19444
314 1 2 . 1 1 71 71 GLY H H 71 9.144 9.144 9.031 0.113 19444
315 1 2 . 1 1 72 72 LEU N N 72 119.969 119.969 121.839 -1.870 19444
316 1 2 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.781 0.079 19444
317 1 2 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.548 -0.472 19444
318 1 2 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.725 -0.261 19444
319 1 2 . 1 1 72 72 LEU H H 72 8.255 8.255 8.209 0.046 19444
320 1 2 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.679 0.159 19444
321 1 2 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.809 -1.299 19444
322 1 2 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.192 -0.785 19444
323 1 2 . 1 1 74 74 VAL N N 74 121.438 121.438 120.008 1.430 19444
324 1 2 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.917 -0.428 19444
325 1 2 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.055 1.598 19444
326 1 2 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.147 -0.824 19444
327 1 2 . 1 1 74 74 VAL H H 74 7.729 7.729 8.251 -0.522 19444
328 1 2 . 1 1 75 75 THR N N 75 108.826 108.826 108.800 0.026 19444
329 1 2 . 1 1 75 75 THR HA H 75 5.015 5.015 4.560 0.455 19444
330 1 2 . 1 1 75 75 THR CA C 75 59.822 59.822 59.200 0.622 19444
331 1 2 . 1 1 75 75 THR CB C 75 74.087 74.087 71.841 2.246 19444
332 1 2 . 1 1 75 75 THR H H 75 8.763 8.763 8.051 0.712 19444
333 1 2 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.769 0.161 19444
334 1 2 . 1 1 77 77 SER N N 77 114.493 114.493 113.621 0.872 19444
335 1 2 . 1 1 77 77 SER HA H 77 4.133 4.133 4.138 -0.005 19444
336 1 2 . 1 1 77 77 SER CA C 77 60.600 60.600 61.044 -0.444 19444
337 1 2 . 1 1 77 77 SER CB C 77 62.378 62.378 62.774 -0.396 19444
338 1 2 . 1 1 77 77 SER H H 77 8.231 8.231 8.310 -0.079 19444
339 1 2 . 1 1 78 78 ASP N N 78 120.698 120.698 124.001 -3.303 19444
340 1 2 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.277 0.131 19444
341 1 2 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.419 0.660 19444
342 1 2 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.378 2.956 19444
343 1 2 . 1 1 78 78 ASP H H 78 7.388 7.388 8.202 -0.814 19444
344 1 2 . 1 1 79 79 ALA N N 79 120.570 120.570 122.393 -1.823 19444
345 1 2 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.779 -0.055 19444
346 1 2 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.091 -0.190 19444
347 1 2 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.166 1.579 19444
348 1 2 . 1 1 79 79 ALA H H 79 7.873 7.873 8.192 -0.319 19444
349 1 2 . 1 1 80 80 ARG N N 80 116.347 116.347 119.003 -2.656 19444
350 1 2 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.021 -0.213 19444
351 1 2 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.325 2.242 19444
352 1 2 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.308 0.123 19444
353 1 2 . 1 1 80 80 ARG H H 80 8.117 8.117 7.904 0.213 19444
354 1 2 . 1 1 81 81 VAL N N 81 119.158 119.158 120.063 -0.905 19444
355 1 2 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.809 -0.141 19444
356 1 2 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.875 0.038 19444
357 1 2 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.589 0.183 19444
358 1 2 . 1 1 81 81 VAL H H 81 7.373 7.373 8.252 -0.879 19444
359 1 2 . 1 1 82 82 LEU N N 82 118.515 118.515 121.299 -2.784 19444
360 1 2 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.863 0.249 19444
361 1 2 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.624 -0.369 19444
362 1 2 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.512 -0.008 19444
363 1 2 . 1 1 82 82 LEU H H 82 7.589 7.589 8.353 -0.764 19444
364 1 2 . 1 1 83 83 ILE N N 83 121.181 121.181 119.482 1.699 19444
365 1 2 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.662 0.112 19444
366 1 2 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.629 0.202 19444
367 1 2 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.905 0.683 19444
368 1 2 . 1 1 83 83 ILE H H 83 8.755 8.755 8.200 0.555 19444
369 1 2 . 1 1 84 84 PHE N N 84 123.192 123.192 121.045 2.147 19444
370 1 2 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.115 0.047 19444
371 1 2 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.577 0.079 19444
372 1 2 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.123 -0.059 19444
373 1 2 . 1 1 84 84 PHE H H 84 8.683 8.683 8.596 0.087 19444
374 1 2 . 1 1 85 85 ASN N N 85 118.056 118.056 117.796 0.260 19444
375 1 2 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.336 0.129 19444
376 1 2 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.038 0.109 19444
377 1 2 . 1 1 85 85 ASN CB C 85 37.903 37.903 37.734 0.169 19444
378 1 2 . 1 1 85 85 ASN H H 85 8.892 8.892 8.606 0.286 19444
379 1 2 . 1 1 86 86 ASP N N 86 120.374 120.374 121.841 -1.467 19444
380 1 2 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.428 0.024 19444
381 1 2 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.891 -0.593 19444
382 1 2 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.876 1.391 19444
383 1 2 . 1 1 86 86 ASP H H 86 8.146 8.146 8.533 -0.387 19444
384 1 2 . 1 1 87 87 TRP N N 87 121.401 121.401 121.629 -0.228 19444
385 1 2 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.126 -0.169 19444
386 1 2 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.759 0.028 19444
387 1 2 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.550 -1.605 19444
388 1 2 . 1 1 87 87 TRP H H 87 8.121 8.121 8.627 -0.506 19444
389 1 2 . 1 1 88 88 GLU N N 88 117.779 117.779 117.671 0.108 19444
390 1 2 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.220 -0.274 19444
391 1 2 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.861 -0.191 19444
392 1 2 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.968 0.572 19444
393 1 2 . 1 1 88 88 GLU H H 88 8.613 8.613 8.408 0.205 19444
394 1 2 . 1 1 89 89 GLU N N 89 116.209 116.209 120.458 -4.249 19444
395 1 2 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.930 0.071 19444
396 1 2 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.319 -0.829 19444
397 1 2 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.511 0.377 19444
398 1 2 . 1 1 89 89 GLU H H 89 7.456 7.456 8.017 -0.561 19444
399 1 2 . 1 1 90 90 ARG N N 90 119.957 119.957 118.529 1.428 19444
400 1 2 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.925 0.028 19444
401 1 2 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.844 -0.267 19444
402 1 2 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.942 1.789 19444
403 1 2 . 1 1 90 90 ARG H H 90 8.134 8.134 8.395 -0.261 19444
404 1 2 . 1 1 91 91 LYS N N 91 118.871 118.871 120.275 -1.404 19444
405 1 2 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.002 -0.330 19444
406 1 2 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.731 -1.021 19444
407 1 2 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.655 -1.150 19444
408 1 2 . 1 1 91 91 LYS H H 91 8.325 8.325 8.148 0.177 19444
409 1 2 . 1 1 92 92 ARG N N 92 117.453 117.453 118.544 -1.091 19444
410 1 2 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.930 -0.055 19444
411 1 2 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.455 0.426 19444
412 1 2 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.112 -0.327 19444
413 1 2 . 1 1 92 92 ARG H H 92 7.069 7.069 7.744 -0.675 19444
414 1 2 . 1 1 93 93 SER N N 93 110.842 110.842 113.917 -3.075 19444
415 1 2 . 1 1 93 93 SER HA H 93 4.513 4.513 4.236 0.277 19444
416 1 2 . 1 1 93 93 SER CA C 93 58.762 58.762 60.400 -1.638 19444
417 1 2 . 1 1 93 93 SER CB C 93 64.164 64.164 63.988 0.176 19444
418 1 2 . 1 1 93 93 SER H H 93 7.427 7.427 7.713 -0.286 19444
419 1 2 . 1 1 94 94 GLU N N 94 121.732 121.732 118.856 2.876 19444
420 1 2 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.038 -0.361 19444
421 1 2 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.823 0.063 19444
422 1 2 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.480 -0.426 19444
423 1 2 . 1 1 94 94 GLU H H 94 7.629 7.629 7.726 -0.097 19444
424 1 2 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.371 -0.063 19444
425 1 2 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.112 0.519 19444
426 1 2 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.861 -0.377 19444
427 1 2 . 1 1 96 96 TRP N N 96 115.321 115.321 117.237 -1.916 19444
428 1 2 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.773 -0.118 19444
429 1 2 . 1 1 96 96 TRP CA C 96 56.766 56.766 53.636 3.130 19444
430 1 2 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.367 -0.351 19444
431 1 2 . 1 1 96 96 TRP H H 96 6.840 6.840 6.936 -0.096 19444
432 1 2 . 1 1 97 97 LEU N N 97 125.159 125.159 124.094 1.065 19444
433 1 2 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.617 -0.440 19444
434 1 2 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.533 1.566 19444
435 1 2 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.077 1.151 19444
436 1 2 . 1 1 97 97 LEU H H 97 7.287 7.287 7.249 0.038 19444
437 1 2 . 1 1 98 98 ARG N N 98 128.515 128.515 127.558 0.957 19444
438 1 2 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.651 -0.063 19444
439 1 2 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.453 -0.363 19444
440 1 2 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.338 -0.002 19444
441 1 2 . 1 1 98 98 ARG H H 98 8.898 8.898 8.622 0.276 19444
442 1 2 . 1 1 99 99 LEU N N 99 127.834 127.834 124.393 3.441 19444
443 1 2 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.270 -0.674 19444
444 1 2 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.125 0.453 19444
445 1 2 . 1 1 99 99 LEU CB C 99 40.174 40.174 43.020 -2.846 19444
446 1 2 . 1 1 99 99 LEU H H 99 8.362 8.362 8.438 -0.076 19444
447 1 2 . 1 1 100 100 ASP N N 100 127.038 127.038 127.756 -0.718 19444
448 1 2 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.974 -0.262 19444
449 1 2 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.210 -1.196 19444
450 1 2 . 1 1 100 100 ASP CB C 100 41.398 41.398 44.431 -3.033 19444
451 1 2 . 1 1 100 100 ASP H H 100 7.998 7.998 8.543 -0.545 19444
452 1 2 . 1 1 101 101 MET N N 101 122.551 122.551 117.785 4.766 19444
453 1 2 . 1 1 101 101 MET HA H 101 4.533 4.533 4.679 -0.146 19444
454 1 2 . 1 1 101 101 MET CA C 101 53.583 53.583 54.695 -1.112 19444
455 1 2 . 1 1 101 101 MET CB C 101 33.400 33.400 34.069 -0.669 19444
456 1 2 . 1 1 101 101 MET H H 101 8.761 8.761 8.796 -0.035 19444
457 1 2 . 1 1 102 102 SER N N 102 116.261 116.261 116.837 -0.576 19444
458 1 2 . 1 1 102 102 SER HA H 102 4.191 4.191 3.941 0.250 19444
459 1 2 . 1 1 102 102 SER CA C 102 58.655 58.655 57.607 1.048 19444
460 1 2 . 1 1 102 102 SER CB C 102 64.764 64.764 65.149 -0.385 19444
461 1 2 . 1 1 102 102 SER H H 102 8.212 8.212 7.750 0.462 19444
462 1 2 . 1 1 103 103 ASP N N 103 121.700 121.700 120.949 0.751 19444
463 1 2 . 1 1 103 103 ASP HA H 103 3.813 3.813 3.935 -0.122 19444
464 1 2 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.340 0.128 19444
465 1 2 . 1 1 103 103 ASP CB C 103 38.784 38.784 39.891 -1.107 19444
466 1 2 . 1 1 103 103 ASP H H 103 8.791 8.791 8.510 0.281 19444
467 1 2 . 1 1 104 104 LYS N N 104 116.308 116.308 119.788 -3.480 19444
468 1 2 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.184 -0.403 19444
469 1 2 . 1 1 104 104 LYS CA C 104 59.839 59.839 59.131 0.708 19444
470 1 2 . 1 1 104 104 LYS CB C 104 32.172 32.172 32.127 0.045 19444
471 1 2 . 1 1 104 104 LYS H H 104 7.886 7.886 8.197 -0.311 19444
472 1 2 . 1 1 105 105 ALA N N 105 122.364 122.364 122.768 -0.404 19444
473 1 2 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.046 -0.086 19444
474 1 2 . 1 1 105 105 ALA CA C 105 55.038 55.038 55.208 -0.170 19444
475 1 2 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.259 -0.318 19444
476 1 2 . 1 1 105 105 ALA H H 105 7.343 7.343 7.565 -0.222 19444
477 1 2 . 1 1 106 106 ILE N N 106 119.713 119.713 119.082 0.631 19444
478 1 2 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.743 -0.265 19444
479 1 2 . 1 1 106 106 ILE CA C 106 66.198 66.198 63.412 2.786 19444
480 1 2 . 1 1 106 106 ILE CB C 106 37.523 37.523 36.332 1.191 19444
481 1 2 . 1 1 106 106 ILE H H 106 8.124 8.124 8.468 -0.344 19444
482 1 2 . 1 1 107 107 PHE N N 107 117.557 117.557 118.595 -1.038 19444
483 1 2 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.628 -0.182 19444
484 1 2 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.417 -2.490 19444
485 1 2 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.859 -0.596 19444
486 1 2 . 1 1 107 107 PHE H H 107 8.448 8.448 8.210 0.238 19444
487 1 2 . 1 1 108 108 ARG N N 108 117.407 117.407 119.138 -1.731 19444
488 1 2 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.183 -0.100 19444
489 1 2 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.261 0.368 19444
490 1 2 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.898 0.562 19444
491 1 2 . 1 1 108 108 ARG H H 108 7.568 7.568 8.506 -0.938 19444
492 1 2 . 1 1 109 109 ARG N N 109 117.561 117.561 116.081 1.480 19444
493 1 2 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.173 -0.175 19444
494 1 2 . 1 1 109 109 ARG CA C 109 57.555 57.555 57.912 -0.357 19444
495 1 2 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.338 0.249 19444
496 1 2 . 1 1 109 109 ARG H H 109 7.281 7.281 7.937 -0.656 19444
497 1 2 . 1 1 110 110 TYR N N 110 116.115 116.115 117.606 -1.491 19444
498 1 2 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.096 0.232 19444
499 1 2 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.294 -0.792 19444
500 1 2 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.179 -0.691 19444
501 1 2 . 1 1 110 110 TYR H H 110 8.877 8.877 8.309 0.568 19444
502 1 2 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.650 -0.171 19444
503 1 2 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.309 0.484 19444
504 1 2 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.088 -0.417 19444
505 1 2 . 1 1 112 112 HIS N N 112 116.277 116.277 117.084 -0.807 19444
506 1 2 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.522 -0.090 19444
507 1 2 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.680 0.794 19444
508 1 2 . 1 1 112 112 HIS CB C 112 28.821 28.821 28.191 0.630 19444
509 1 2 . 1 1 112 112 HIS H H 112 8.300 8.300 8.507 -0.207 19444
510 1 2 . 1 1 113 113 LEU N N 113 120.770 120.770 119.411 1.359 19444
511 1 2 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.148 -0.047 19444
512 1 2 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.473 -1.270 19444
513 1 2 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.662 1.215 19444
514 1 2 . 1 1 113 113 LEU H H 113 7.518 7.518 7.189 0.329 19444
515 1 3 . 1 1 59 59 ALA N N 59 123.352 123.352 122.600 0.752 19444
516 1 3 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.779 -0.495 19444
517 1 3 . 1 1 59 59 ALA CA C 59 52.296 52.296 52.091 0.205 19444
518 1 3 . 1 1 59 59 ALA CB C 59 19.633 19.633 19.569 0.064 19444
519 1 3 . 1 1 59 59 ALA H H 59 7.997 7.997 8.159 -0.162 19444
520 1 3 . 1 1 60 60 LEU N N 60 120.985 120.985 122.136 -1.151 19444
521 1 3 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.321 0.132 19444
522 1 3 . 1 1 60 60 LEU CA C 60 54.287 54.287 55.212 -0.925 19444
523 1 3 . 1 1 60 60 LEU CB C 60 43.255 43.255 42.499 0.756 19444
524 1 3 . 1 1 60 60 LEU H H 60 8.169 8.169 8.061 0.108 19444
525 1 3 . 1 1 61 61 ALA N N 61 125.303 125.303 126.625 -1.322 19444
526 1 3 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.712 -0.215 19444
527 1 3 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.787 0.440 19444
528 1 3 . 1 1 61 61 ALA CB C 61 20.176 20.176 21.716 -1.540 19444
529 1 3 . 1 1 61 61 ALA H H 61 8.445 8.445 8.105 0.340 19444
530 1 3 . 1 1 62 62 ALA N N 62 127.804 127.804 126.158 1.646 19444
531 1 3 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.659 -0.343 19444
532 1 3 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.171 0.838 19444
533 1 3 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.904 -0.919 19444
534 1 3 . 1 1 62 62 ALA H H 62 8.583 8.583 9.109 -0.526 19444
535 1 3 . 1 1 63 63 LEU N N 63 120.096 120.096 121.282 -1.186 19444
536 1 3 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.996 -0.112 19444
537 1 3 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.814 -0.922 19444
538 1 3 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.415 -1.283 19444
539 1 3 . 1 1 63 63 LEU H H 63 8.077 8.077 8.229 -0.152 19444
540 1 3 . 1 1 64 64 HIS N N 64 122.245 122.245 118.624 3.621 19444
541 1 3 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.621 -0.381 19444
542 1 3 . 1 1 64 64 HIS CA C 64 58.026 58.026 56.734 1.292 19444
543 1 3 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.711 -0.373 19444
544 1 3 . 1 1 64 64 HIS H H 64 8.629 8.629 8.655 -0.026 19444
545 1 3 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.335 0.015 19444
546 1 3 . 1 1 65 65 ALA CA C 65 53.349 53.349 52.950 0.399 19444
547 1 3 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.592 0.126 19444
548 1 3 . 1 1 66 66 ASP N N 66 115.211 115.211 115.093 0.118 19444
549 1 3 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.670 0.019 19444
550 1 3 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.069 -0.547 19444
551 1 3 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.975 -0.224 19444
552 1 3 . 1 1 66 66 ASP H H 66 7.869 7.869 7.896 -0.028 19444
553 1 3 . 1 1 67 67 GLY N N 67 105.349 105.349 108.457 -3.108 19444
554 1 3 . 1 1 67 67 GLY CA C 67 45.266 45.266 44.905 0.361 19444
555 1 3 . 1 1 67 67 GLY H H 67 8.441 8.441 8.498 -0.057 19444
556 1 3 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.254 -0.135 19444
557 1 3 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.000 -0.796 19444
558 1 3 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.616 -0.094 19444
559 1 3 . 1 1 69 69 HIS N N 69 116.893 116.893 115.404 1.489 19444
560 1 3 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.731 -0.046 19444
561 1 3 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.622 0.364 19444
562 1 3 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.288 0.188 19444
563 1 3 . 1 1 69 69 HIS H H 69 8.503 8.503 8.094 0.409 19444
564 1 3 . 1 1 70 70 ALA N N 70 120.705 120.705 122.012 -1.307 19444
565 1 3 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.113 -0.546 19444
566 1 3 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.676 0.103 19444
567 1 3 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.273 -0.073 19444
568 1 3 . 1 1 70 70 ALA H H 70 6.892 6.892 7.502 -0.610 19444
569 1 3 . 1 1 71 71 GLY N N 71 109.407 109.407 112.508 -3.101 19444
570 1 3 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.004 0.342 19444
571 1 3 . 1 1 71 71 GLY H H 71 9.144 9.144 8.968 0.176 19444
572 1 3 . 1 1 72 72 LEU N N 72 119.969 119.969 122.664 -2.695 19444
573 1 3 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.693 0.167 19444
574 1 3 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.010 0.066 19444
575 1 3 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.637 -0.173 19444
576 1 3 . 1 1 72 72 LEU H H 72 8.255 8.255 8.212 0.043 19444
577 1 3 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.692 0.146 19444
578 1 3 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.755 -1.245 19444
579 1 3 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.200 -0.793 19444
580 1 3 . 1 1 74 74 VAL N N 74 121.438 121.438 120.055 1.383 19444
581 1 3 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.943 -0.454 19444
582 1 3 . 1 1 74 74 VAL CA C 74 65.653 65.653 63.980 1.673 19444
583 1 3 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.185 -0.862 19444
584 1 3 . 1 1 74 74 VAL H H 74 7.729 7.729 8.259 -0.530 19444
585 1 3 . 1 1 75 75 THR N N 75 108.826 108.826 109.928 -1.102 19444
586 1 3 . 1 1 75 75 THR HA H 75 5.015 5.015 4.612 0.403 19444
587 1 3 . 1 1 75 75 THR CA C 75 59.822 59.822 59.227 0.595 19444
588 1 3 . 1 1 75 75 THR CB C 75 74.087 74.087 71.932 2.155 19444
589 1 3 . 1 1 75 75 THR H H 75 8.763 8.763 8.230 0.533 19444
590 1 3 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.804 0.126 19444
591 1 3 . 1 1 77 77 SER N N 77 114.493 114.493 115.188 -0.695 19444
592 1 3 . 1 1 77 77 SER HA H 77 4.133 4.133 4.138 -0.005 19444
593 1 3 . 1 1 77 77 SER CA C 77 60.600 60.600 62.020 -1.420 19444
594 1 3 . 1 1 77 77 SER CB C 77 62.378 62.378 62.777 -0.399 19444
595 1 3 . 1 1 77 77 SER H H 77 8.231 8.231 8.377 -0.146 19444
596 1 3 . 1 1 78 78 ASP N N 78 120.698 120.698 122.681 -1.983 19444
597 1 3 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.328 0.080 19444
598 1 3 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.389 0.690 19444
599 1 3 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.373 2.961 19444
600 1 3 . 1 1 78 78 ASP H H 78 7.388 7.388 8.017 -0.629 19444
601 1 3 . 1 1 79 79 ALA N N 79 120.570 120.570 122.625 -2.055 19444
602 1 3 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.821 -0.097 19444
603 1 3 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.117 -0.216 19444
604 1 3 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.227 1.519 19444
605 1 3 . 1 1 79 79 ALA H H 79 7.873 7.873 8.237 -0.364 19444
606 1 3 . 1 1 80 80 ARG N N 80 116.347 116.347 119.106 -2.759 19444
607 1 3 . 1 1 80 80 ARG HA H 80 3.808 3.808 3.962 -0.154 19444
608 1 3 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.464 2.103 19444
609 1 3 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.351 0.080 19444
610 1 3 . 1 1 80 80 ARG H H 80 8.117 8.117 8.123 -0.006 19444
611 1 3 . 1 1 81 81 VAL N N 81 119.158 119.158 119.970 -0.812 19444
612 1 3 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.878 -0.210 19444
613 1 3 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.852 0.061 19444
614 1 3 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.678 0.094 19444
615 1 3 . 1 1 81 81 VAL H H 81 7.373 7.373 8.269 -0.896 19444
616 1 3 . 1 1 82 82 LEU N N 82 118.515 118.515 121.584 -3.069 19444
617 1 3 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.887 0.225 19444
618 1 3 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.618 -0.363 19444
619 1 3 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.537 -0.033 19444
620 1 3 . 1 1 82 82 LEU H H 82 7.589 7.589 8.336 -0.747 19444
621 1 3 . 1 1 83 83 ILE N N 83 121.181 121.181 119.406 1.775 19444
622 1 3 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.617 0.157 19444
623 1 3 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.660 0.171 19444
624 1 3 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.872 0.716 19444
625 1 3 . 1 1 83 83 ILE H H 83 8.755 8.755 8.233 0.522 19444
626 1 3 . 1 1 84 84 PHE N N 84 123.192 123.192 120.109 3.083 19444
627 1 3 . 1 1 84 84 PHE HA H 84 4.162 4.162 3.990 0.172 19444
628 1 3 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.011 0.645 19444
629 1 3 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.220 -0.156 19444
630 1 3 . 1 1 84 84 PHE H H 84 8.683 8.683 8.567 0.116 19444
631 1 3 . 1 1 85 85 ASN N N 85 118.056 118.056 118.505 -0.449 19444
632 1 3 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.479 -0.014 19444
633 1 3 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.224 -0.077 19444
634 1 3 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.715 -0.812 19444
635 1 3 . 1 1 85 85 ASN H H 85 8.892 8.892 8.635 0.257 19444
636 1 3 . 1 1 86 86 ASP N N 86 120.374 120.374 122.083 -1.709 19444
637 1 3 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.344 0.108 19444
638 1 3 . 1 1 86 86 ASP CA C 86 57.297 57.297 58.219 -0.922 19444
639 1 3 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.928 1.339 19444
640 1 3 . 1 1 86 86 ASP H H 86 8.146 8.146 8.415 -0.269 19444
641 1 3 . 1 1 87 87 TRP N N 87 121.401 121.401 121.454 -0.053 19444
642 1 3 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.086 -0.129 19444
643 1 3 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.807 -0.021 19444
644 1 3 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.489 -1.543 19444
645 1 3 . 1 1 87 87 TRP H H 87 8.121 8.121 8.305 -0.184 19444
646 1 3 . 1 1 88 88 GLU N N 88 117.779 117.779 118.188 -0.409 19444
647 1 3 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.216 -0.270 19444
648 1 3 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.713 -0.043 19444
649 1 3 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.887 0.653 19444
650 1 3 . 1 1 88 88 GLU H H 88 8.613 8.613 8.415 0.198 19444
651 1 3 . 1 1 89 89 GLU N N 89 116.209 116.209 119.397 -3.188 19444
652 1 3 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.944 0.057 19444
653 1 3 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.097 -0.607 19444
654 1 3 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.433 0.455 19444
655 1 3 . 1 1 89 89 GLU H H 89 7.456 7.456 7.872 -0.416 19444
656 1 3 . 1 1 90 90 ARG N N 90 119.957 119.957 118.273 1.684 19444
657 1 3 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.936 0.017 19444
658 1 3 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.741 -0.164 19444
659 1 3 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.939 1.792 19444
660 1 3 . 1 1 90 90 ARG H H 90 8.134 8.134 8.334 -0.200 19444
661 1 3 . 1 1 91 91 LYS N N 91 118.871 118.871 120.527 -1.656 19444
662 1 3 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.009 -0.337 19444
663 1 3 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.626 -0.916 19444
664 1 3 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.645 -1.140 19444
665 1 3 . 1 1 91 91 LYS H H 91 8.325 8.325 8.133 0.192 19444
666 1 3 . 1 1 92 92 ARG N N 92 117.453 117.453 118.358 -0.905 19444
667 1 3 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.938 -0.063 19444
668 1 3 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.455 0.426 19444
669 1 3 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.036 -0.251 19444
670 1 3 . 1 1 92 92 ARG H H 92 7.069 7.069 7.835 -0.766 19444
671 1 3 . 1 1 93 93 SER N N 93 110.842 110.842 113.951 -3.109 19444
672 1 3 . 1 1 93 93 SER HA H 93 4.513 4.513 4.239 0.274 19444
673 1 3 . 1 1 93 93 SER CA C 93 58.762 58.762 60.265 -1.503 19444
674 1 3 . 1 1 93 93 SER CB C 93 64.164 64.164 63.841 0.323 19444
675 1 3 . 1 1 93 93 SER H H 93 7.427 7.427 7.795 -0.368 19444
676 1 3 . 1 1 94 94 GLU N N 94 121.732 121.732 119.243 2.489 19444
677 1 3 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.064 -0.387 19444
678 1 3 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.783 0.103 19444
679 1 3 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.487 -0.433 19444
680 1 3 . 1 1 94 94 GLU H H 94 7.629 7.629 7.865 -0.236 19444
681 1 3 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.366 -0.058 19444
682 1 3 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.197 0.434 19444
683 1 3 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.837 -0.353 19444
684 1 3 . 1 1 96 96 TRP N N 96 115.321 115.321 117.009 -1.688 19444
685 1 3 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.791 -0.136 19444
686 1 3 . 1 1 96 96 TRP CA C 96 56.766 56.766 53.562 3.204 19444
687 1 3 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.396 -0.380 19444
688 1 3 . 1 1 96 96 TRP H H 96 6.840 6.840 6.860 -0.020 19444
689 1 3 . 1 1 97 97 LEU N N 97 125.159 125.159 123.334 1.825 19444
690 1 3 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.378 -0.201 19444
691 1 3 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.981 1.118 19444
692 1 3 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.171 1.057 19444
693 1 3 . 1 1 97 97 LEU H H 97 7.287 7.287 7.103 0.184 19444
694 1 3 . 1 1 98 98 ARG N N 98 128.515 128.515 128.325 0.190 19444
695 1 3 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.658 -0.070 19444
696 1 3 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.774 -0.684 19444
697 1 3 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.317 0.019 19444
698 1 3 . 1 1 98 98 ARG H H 98 8.898 8.898 8.566 0.332 19444
699 1 3 . 1 1 99 99 LEU N N 99 127.834 127.834 121.768 6.066 19444
700 1 3 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.226 -0.630 19444
701 1 3 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.138 0.440 19444
702 1 3 . 1 1 99 99 LEU CB C 99 40.174 40.174 43.138 -2.964 19444
703 1 3 . 1 1 99 99 LEU H H 99 8.362 8.362 8.313 0.049 19444
704 1 3 . 1 1 100 100 ASP N N 100 127.038 127.038 126.046 0.992 19444
705 1 3 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.553 0.159 19444
706 1 3 . 1 1 100 100 ASP CA C 100 53.014 53.014 53.730 -0.716 19444
707 1 3 . 1 1 100 100 ASP CB C 100 41.398 41.398 43.112 -1.714 19444
708 1 3 . 1 1 100 100 ASP H H 100 7.998 7.998 8.321 -0.323 19444
709 1 3 . 1 1 101 101 MET N N 101 122.551 122.551 118.683 3.868 19444
710 1 3 . 1 1 101 101 MET HA H 101 4.533 4.533 4.400 0.133 19444
711 1 3 . 1 1 101 101 MET CA C 101 53.583 53.583 54.378 -0.795 19444
712 1 3 . 1 1 101 101 MET CB C 101 33.400 33.400 34.282 -0.881 19444
713 1 3 . 1 1 101 101 MET H H 101 8.761 8.761 6.235 2.526 19444
714 1 3 . 1 1 102 102 SER N N 102 116.261 116.261 115.840 0.421 19444
715 1 3 . 1 1 102 102 SER HA H 102 4.191 4.191 4.215 -0.024 19444
716 1 3 . 1 1 102 102 SER CA C 102 58.655 58.655 57.713 0.942 19444
717 1 3 . 1 1 102 102 SER CB C 102 64.764 64.764 65.112 -0.348 19444
718 1 3 . 1 1 102 102 SER H H 102 8.212 8.212 7.536 0.676 19444
719 1 3 . 1 1 103 103 ASP N N 103 121.700 121.700 122.722 -1.022 19444
720 1 3 . 1 1 103 103 ASP HA H 103 3.813 3.813 3.932 -0.119 19444
721 1 3 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.877 -0.409 19444
722 1 3 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.337 -1.553 19444
723 1 3 . 1 1 103 103 ASP H H 103 8.791 8.791 8.742 0.049 19444
724 1 3 . 1 1 104 104 LYS N N 104 116.308 116.308 118.997 -2.689 19444
725 1 3 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.212 -0.431 19444
726 1 3 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.954 0.885 19444
727 1 3 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.624 0.548 19444
728 1 3 . 1 1 104 104 LYS H H 104 7.886 7.886 7.829 0.057 19444
729 1 3 . 1 1 105 105 ALA N N 105 122.364 122.364 122.476 -0.112 19444
730 1 3 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.079 -0.119 19444
731 1 3 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.908 0.130 19444
732 1 3 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.064 -0.123 19444
733 1 3 . 1 1 105 105 ALA H H 105 7.343 7.343 7.706 -0.363 19444
734 1 3 . 1 1 106 106 ILE N N 106 119.713 119.713 119.202 0.511 19444
735 1 3 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.603 -0.125 19444
736 1 3 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.702 0.496 19444
737 1 3 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.720 -0.197 19444
738 1 3 . 1 1 106 106 ILE H H 106 8.124 8.124 8.310 -0.186 19444
739 1 3 . 1 1 107 107 PHE N N 107 117.557 117.557 119.193 -1.636 19444
740 1 3 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.513 -0.067 19444
741 1 3 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.254 -2.327 19444
742 1 3 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.899 -0.635 19444
743 1 3 . 1 1 107 107 PHE H H 107 8.448 8.448 8.036 0.412 19444
744 1 3 . 1 1 108 108 ARG N N 108 117.407 117.407 118.444 -1.037 19444
745 1 3 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.145 -0.062 19444
746 1 3 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.843 -0.214 19444
747 1 3 . 1 1 108 108 ARG CB C 108 30.460 30.460 30.247 0.213 19444
748 1 3 . 1 1 108 108 ARG H H 108 7.568 7.568 8.334 -0.766 19444
749 1 3 . 1 1 109 109 ARG N N 109 117.561 117.561 118.464 -0.903 19444
750 1 3 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.104 -0.106 19444
751 1 3 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.267 -0.712 19444
752 1 3 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.550 0.037 19444
753 1 3 . 1 1 109 109 ARG H H 109 7.281 7.281 7.884 -0.603 19444
754 1 3 . 1 1 110 110 TYR N N 110 116.115 116.115 117.414 -1.299 19444
755 1 3 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.099 0.229 19444
756 1 3 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.039 -0.537 19444
757 1 3 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.571 -1.082 19444
758 1 3 . 1 1 110 110 TYR H H 110 8.877 8.877 8.271 0.606 19444
759 1 3 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.569 -0.090 19444
760 1 3 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.394 0.399 19444
761 1 3 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.151 -0.480 19444
762 1 3 . 1 1 112 112 HIS N N 112 116.277 116.277 114.855 1.422 19444
763 1 3 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.436 -0.004 19444
764 1 3 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.147 1.327 19444
765 1 3 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.709 1.112 19444
766 1 3 . 1 1 112 112 HIS H H 112 8.300 8.300 8.475 -0.175 19444
767 1 3 . 1 1 113 113 LEU N N 113 120.770 120.770 119.576 1.194 19444
768 1 3 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.116 -0.015 19444
769 1 3 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.337 -1.134 19444
770 1 3 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.491 1.386 19444
771 1 3 . 1 1 113 113 LEU H H 113 7.518 7.518 7.070 0.448 19444
772 1 4 . 1 1 59 59 ALA N N 59 123.352 123.352 123.614 -0.262 19444
773 1 4 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.550 -0.266 19444
774 1 4 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.868 0.428 19444
775 1 4 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.017 -0.384 19444
776 1 4 . 1 1 59 59 ALA H H 59 7.997 7.997 7.798 0.199 19444
777 1 4 . 1 1 60 60 LEU N N 60 120.985 120.985 120.703 0.282 19444
778 1 4 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.429 0.024 19444
779 1 4 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.458 -0.171 19444
780 1 4 . 1 1 60 60 LEU CB C 60 43.255 43.255 42.173 1.081 19444
781 1 4 . 1 1 60 60 LEU H H 60 8.169 8.169 8.252 -0.083 19444
782 1 4 . 1 1 61 61 ALA N N 61 125.303 125.303 125.272 0.031 19444
783 1 4 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.484 0.013 19444
784 1 4 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.932 0.295 19444
785 1 4 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.345 -0.169 19444
786 1 4 . 1 1 61 61 ALA H H 61 8.445 8.445 8.175 0.270 19444
787 1 4 . 1 1 62 62 ALA N N 62 127.804 127.804 126.365 1.439 19444
788 1 4 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.640 -0.324 19444
789 1 4 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.361 0.648 19444
790 1 4 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.782 -0.797 19444
791 1 4 . 1 1 62 62 ALA H H 62 8.583 8.583 9.066 -0.483 19444
792 1 4 . 1 1 63 63 LEU N N 63 120.096 120.096 122.154 -2.058 19444
793 1 4 . 1 1 63 63 LEU HA H 63 4.884 4.884 5.008 -0.124 19444
794 1 4 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.791 -0.899 19444
795 1 4 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.203 -1.071 19444
796 1 4 . 1 1 63 63 LEU H H 63 8.077 8.077 8.320 -0.243 19444
797 1 4 . 1 1 64 64 HIS N N 64 122.245 122.245 119.033 3.212 19444
798 1 4 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.593 -0.353 19444
799 1 4 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.096 0.930 19444
800 1 4 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.377 -0.039 19444
801 1 4 . 1 1 64 64 HIS H H 64 8.629 8.629 8.707 -0.078 19444
802 1 4 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.295 0.055 19444
803 1 4 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.222 0.127 19444
804 1 4 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.683 0.035 19444
805 1 4 . 1 1 66 66 ASP N N 66 115.211 115.211 114.952 0.259 19444
806 1 4 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.735 -0.046 19444
807 1 4 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.252 -0.730 19444
808 1 4 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.801 -0.050 19444
809 1 4 . 1 1 66 66 ASP H H 66 7.869 7.869 7.801 0.068 19444
810 1 4 . 1 1 67 67 GLY N N 67 105.349 105.349 109.694 -4.345 19444
811 1 4 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.033 0.233 19444
812 1 4 . 1 1 67 67 GLY H H 67 8.441 8.441 8.374 0.067 19444
813 1 4 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.256 -0.137 19444
814 1 4 . 1 1 68 68 PRO CA C 68 64.204 64.204 64.985 -0.781 19444
815 1 4 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.617 -0.096 19444
816 1 4 . 1 1 69 69 HIS N N 69 116.893 116.893 115.411 1.482 19444
817 1 4 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.735 -0.050 19444
818 1 4 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.632 0.354 19444
819 1 4 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.317 0.160 19444
820 1 4 . 1 1 69 69 HIS H H 69 8.503 8.503 8.150 0.353 19444
821 1 4 . 1 1 70 70 ALA N N 70 120.705 120.705 122.009 -1.304 19444
822 1 4 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.111 -0.544 19444
823 1 4 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.702 0.077 19444
824 1 4 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.299 -0.099 19444
825 1 4 . 1 1 70 70 ALA H H 70 6.892 6.892 7.502 -0.610 19444
826 1 4 . 1 1 71 71 GLY N N 71 109.407 109.407 112.567 -3.160 19444
827 1 4 . 1 1 71 71 GLY CA C 71 45.346 45.346 44.993 0.353 19444
828 1 4 . 1 1 71 71 GLY H H 71 9.144 9.144 8.997 0.147 19444
829 1 4 . 1 1 72 72 LEU N N 72 119.969 119.969 122.845 -2.876 19444
830 1 4 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.685 0.175 19444
831 1 4 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.147 -0.071 19444
832 1 4 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.582 -0.118 19444
833 1 4 . 1 1 72 72 LEU H H 72 8.255 8.255 8.218 0.037 19444
834 1 4 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.661 0.177 19444
835 1 4 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.794 -1.284 19444
836 1 4 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.210 -0.803 19444
837 1 4 . 1 1 74 74 VAL N N 74 121.438 121.438 120.182 1.256 19444
838 1 4 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.900 -0.411 19444
839 1 4 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.518 1.135 19444
840 1 4 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.204 -0.881 19444
841 1 4 . 1 1 74 74 VAL H H 74 7.729 7.729 8.368 -0.639 19444
842 1 4 . 1 1 75 75 THR N N 75 108.826 108.826 109.161 -0.335 19444
843 1 4 . 1 1 75 75 THR HA H 75 5.015 5.015 4.634 0.381 19444
844 1 4 . 1 1 75 75 THR CA C 75 59.822 59.822 59.090 0.732 19444
845 1 4 . 1 1 75 75 THR CB C 75 74.087 74.087 71.822 2.265 19444
846 1 4 . 1 1 75 75 THR H H 75 8.763 8.763 7.998 0.765 19444
847 1 4 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.646 0.284 19444
848 1 4 . 1 1 77 77 SER N N 77 114.493 114.493 114.397 0.096 19444
849 1 4 . 1 1 77 77 SER HA H 77 4.133 4.133 4.098 0.035 19444
850 1 4 . 1 1 77 77 SER CA C 77 60.600 60.600 61.709 -1.109 19444
851 1 4 . 1 1 77 77 SER CB C 77 62.378 62.378 62.841 -0.463 19444
852 1 4 . 1 1 77 77 SER H H 77 8.231 8.231 8.314 -0.083 19444
853 1 4 . 1 1 78 78 ASP N N 78 120.698 120.698 122.429 -1.731 19444
854 1 4 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.326 0.082 19444
855 1 4 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.382 0.697 19444
856 1 4 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.395 2.939 19444
857 1 4 . 1 1 78 78 ASP H H 78 7.388 7.388 8.005 -0.617 19444
858 1 4 . 1 1 79 79 ALA N N 79 120.570 120.570 122.751 -2.181 19444
859 1 4 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.865 -0.141 19444
860 1 4 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.170 -0.269 19444
861 1 4 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.182 1.564 19444
862 1 4 . 1 1 79 79 ALA H H 79 7.873 7.873 8.380 -0.507 19444
863 1 4 . 1 1 80 80 ARG N N 80 116.347 116.347 119.231 -2.884 19444
864 1 4 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.026 -0.218 19444
865 1 4 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.511 2.056 19444
866 1 4 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.302 0.129 19444
867 1 4 . 1 1 80 80 ARG H H 80 8.117 8.117 8.053 0.064 19444
868 1 4 . 1 1 81 81 VAL N N 81 119.158 119.158 119.960 -0.802 19444
869 1 4 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.873 -0.205 19444
870 1 4 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.991 -0.078 19444
871 1 4 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.742 0.029 19444
872 1 4 . 1 1 81 81 VAL H H 81 7.373 7.373 8.052 -0.679 19444
873 1 4 . 1 1 82 82 LEU N N 82 118.515 118.515 121.783 -3.268 19444
874 1 4 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.865 0.247 19444
875 1 4 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.685 -0.430 19444
876 1 4 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.917 -0.413 19444
877 1 4 . 1 1 82 82 LEU H H 82 7.589 7.589 8.312 -0.723 19444
878 1 4 . 1 1 83 83 ILE N N 83 121.181 121.181 119.221 1.960 19444
879 1 4 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.651 0.123 19444
880 1 4 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.775 0.056 19444
881 1 4 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.950 0.638 19444
882 1 4 . 1 1 83 83 ILE H H 83 8.755 8.755 8.216 0.539 19444
883 1 4 . 1 1 84 84 PHE N N 84 123.192 123.192 119.744 3.448 19444
884 1 4 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.102 0.060 19444
885 1 4 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.041 0.615 19444
886 1 4 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.272 -0.208 19444
887 1 4 . 1 1 84 84 PHE H H 84 8.683 8.683 8.562 0.121 19444
888 1 4 . 1 1 85 85 ASN N N 85 118.056 118.056 118.727 -0.671 19444
889 1 4 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.536 -0.071 19444
890 1 4 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.241 -0.094 19444
891 1 4 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.773 -0.870 19444
892 1 4 . 1 1 85 85 ASN H H 85 8.892 8.892 8.656 0.236 19444
893 1 4 . 1 1 86 86 ASP N N 86 120.374 120.374 121.894 -1.520 19444
894 1 4 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.375 0.077 19444
895 1 4 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.969 -0.672 19444
896 1 4 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.882 1.385 19444
897 1 4 . 1 1 86 86 ASP H H 86 8.146 8.146 8.478 -0.332 19444
898 1 4 . 1 1 87 87 TRP N N 87 121.401 121.401 121.234 0.167 19444
899 1 4 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.201 -0.244 19444
900 1 4 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.326 0.461 19444
901 1 4 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.664 -1.718 19444
902 1 4 . 1 1 87 87 TRP H H 87 8.121 8.121 8.211 -0.090 19444
903 1 4 . 1 1 88 88 GLU N N 88 117.779 117.779 117.858 -0.079 19444
904 1 4 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.271 -0.325 19444
905 1 4 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.475 0.195 19444
906 1 4 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.971 0.569 19444
907 1 4 . 1 1 88 88 GLU H H 88 8.613 8.613 8.414 0.199 19444
908 1 4 . 1 1 89 89 GLU N N 89 116.209 116.209 120.664 -4.455 19444
909 1 4 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.982 0.019 19444
910 1 4 . 1 1 89 89 GLU CA C 89 58.490 58.490 58.993 -0.503 19444
911 1 4 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.337 0.551 19444
912 1 4 . 1 1 89 89 GLU H H 89 7.456 7.456 8.019 -0.563 19444
913 1 4 . 1 1 90 90 ARG N N 90 119.957 119.957 117.998 1.959 19444
914 1 4 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.940 0.013 19444
915 1 4 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.292 0.285 19444
916 1 4 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.665 2.067 19444
917 1 4 . 1 1 90 90 ARG H H 90 8.134 8.134 8.406 -0.272 19444
918 1 4 . 1 1 91 91 LYS N N 91 118.871 118.871 120.526 -1.655 19444
919 1 4 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.019 -0.347 19444
920 1 4 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.755 -1.045 19444
921 1 4 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.657 -1.152 19444
922 1 4 . 1 1 91 91 LYS H H 91 8.325 8.325 8.176 0.149 19444
923 1 4 . 1 1 92 92 ARG N N 92 117.453 117.453 118.368 -0.915 19444
924 1 4 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.938 -0.063 19444
925 1 4 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.405 0.476 19444
926 1 4 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.118 -0.333 19444
927 1 4 . 1 1 92 92 ARG H H 92 7.069 7.069 7.752 -0.683 19444
928 1 4 . 1 1 93 93 SER N N 93 110.842 110.842 114.062 -3.220 19444
929 1 4 . 1 1 93 93 SER HA H 93 4.513 4.513 4.242 0.271 19444
930 1 4 . 1 1 93 93 SER CA C 93 58.762 58.762 60.429 -1.667 19444
931 1 4 . 1 1 93 93 SER CB C 93 64.164 64.164 63.995 0.169 19444
932 1 4 . 1 1 93 93 SER H H 93 7.427 7.427 7.753 -0.326 19444
933 1 4 . 1 1 94 94 GLU N N 94 121.732 121.732 118.989 2.743 19444
934 1 4 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.075 -0.398 19444
935 1 4 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.715 0.171 19444
936 1 4 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.589 -0.535 19444
937 1 4 . 1 1 94 94 GLU H H 94 7.629 7.629 7.699 -0.070 19444
938 1 4 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.370 -0.062 19444
939 1 4 . 1 1 95 95 PRO CA C 95 64.631 64.631 63.557 1.074 19444
940 1 4 . 1 1 95 95 PRO CB C 95 31.484 31.484 32.061 -0.577 19444
941 1 4 . 1 1 96 96 TRP N N 96 115.321 115.321 116.272 -0.951 19444
942 1 4 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.711 -0.056 19444
943 1 4 . 1 1 96 96 TRP CA C 96 56.766 56.766 55.135 1.631 19444
944 1 4 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.536 -0.520 19444
945 1 4 . 1 1 96 96 TRP H H 96 6.840 6.840 6.756 0.084 19444
946 1 4 . 1 1 97 97 LEU N N 97 125.159 125.159 124.184 0.975 19444
947 1 4 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.532 -0.355 19444
948 1 4 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.784 1.315 19444
949 1 4 . 1 1 97 97 LEU CB C 97 43.228 43.228 41.970 1.258 19444
950 1 4 . 1 1 97 97 LEU H H 97 7.287 7.287 7.182 0.105 19444
951 1 4 . 1 1 98 98 ARG N N 98 128.515 128.515 127.916 0.599 19444
952 1 4 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.560 0.028 19444
953 1 4 . 1 1 98 98 ARG CA C 98 55.090 55.090 54.952 0.139 19444
954 1 4 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.001 0.335 19444
955 1 4 . 1 1 98 98 ARG H H 98 8.898 8.898 8.676 0.222 19444
956 1 4 . 1 1 99 99 LEU N N 99 127.834 127.834 127.229 0.605 19444
957 1 4 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.234 -0.638 19444
958 1 4 . 1 1 99 99 LEU CA C 99 54.578 54.578 53.628 0.950 19444
959 1 4 . 1 1 99 99 LEU CB C 99 40.174 40.174 42.858 -2.683 19444
960 1 4 . 1 1 99 99 LEU H H 99 8.362 8.362 8.475 -0.113 19444
961 1 4 . 1 1 100 100 ASP N N 100 127.038 127.038 127.249 -0.211 19444
962 1 4 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.058 0.654 19444
963 1 4 . 1 1 100 100 ASP CA C 100 53.014 53.014 53.446 -0.432 19444
964 1 4 . 1 1 100 100 ASP CB C 100 41.398 41.398 43.381 -1.983 19444
965 1 4 . 1 1 100 100 ASP H H 100 7.998 7.998 8.393 -0.395 19444
966 1 4 . 1 1 101 101 MET N N 101 122.551 122.551 118.231 4.320 19444
967 1 4 . 1 1 101 101 MET HA H 101 4.533 4.533 4.594 -0.061 19444
968 1 4 . 1 1 101 101 MET CA C 101 53.583 53.583 54.878 -1.295 19444
969 1 4 . 1 1 101 101 MET CB C 101 33.400 33.400 33.988 -0.588 19444
970 1 4 . 1 1 101 101 MET H H 101 8.761 8.761 6.976 1.785 19444
971 1 4 . 1 1 102 102 SER N N 102 116.261 116.261 119.400 -3.139 19444
972 1 4 . 1 1 102 102 SER HA H 102 4.191 4.191 4.338 -0.147 19444
973 1 4 . 1 1 102 102 SER CA C 102 58.655 58.655 59.339 -0.684 19444
974 1 4 . 1 1 102 102 SER CB C 102 64.764 64.764 63.922 0.842 19444
975 1 4 . 1 1 102 102 SER H H 102 8.212 8.212 7.905 0.307 19444
976 1 4 . 1 1 103 103 ASP N N 103 121.700 121.700 124.111 -2.411 19444
977 1 4 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.144 -0.331 19444
978 1 4 . 1 1 103 103 ASP CA C 103 57.468 57.468 58.197 -0.729 19444
979 1 4 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.950 -2.166 19444
980 1 4 . 1 1 103 103 ASP H H 103 8.791 8.791 9.057 -0.266 19444
981 1 4 . 1 1 104 104 LYS N N 104 116.308 116.308 119.329 -3.021 19444
982 1 4 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.149 -0.368 19444
983 1 4 . 1 1 104 104 LYS CA C 104 59.839 59.839 59.168 0.671 19444
984 1 4 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.170 1.002 19444
985 1 4 . 1 1 104 104 LYS H H 104 7.886 7.886 8.318 -0.432 19444
986 1 4 . 1 1 105 105 ALA N N 105 122.364 122.364 122.304 0.060 19444
987 1 4 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.203 -0.243 19444
988 1 4 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.820 0.218 19444
989 1 4 . 1 1 105 105 ALA CB C 105 17.941 17.941 17.956 -0.015 19444
990 1 4 . 1 1 105 105 ALA H H 105 7.343 7.343 7.141 0.202 19444
991 1 4 . 1 1 106 106 ILE N N 106 119.713 119.713 119.322 0.391 19444
992 1 4 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.594 -0.116 19444
993 1 4 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.647 0.551 19444
994 1 4 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.681 -0.158 19444
995 1 4 . 1 1 106 106 ILE H H 106 8.124 8.124 8.103 0.021 19444
996 1 4 . 1 1 107 107 PHE N N 107 117.557 117.557 118.369 -0.812 19444
997 1 4 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.582 -0.136 19444
998 1 4 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.834 -2.908 19444
999 1 4 . 1 1 107 107 PHE CB C 107 37.264 37.264 38.189 -0.925 19444
1000 1 4 . 1 1 107 107 PHE H H 107 8.448 8.448 8.046 0.402 19444
1001 1 4 . 1 1 108 108 ARG N N 108 117.407 117.407 118.640 -1.233 19444
1002 1 4 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.260 -0.177 19444
1003 1 4 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.178 0.451 19444
1004 1 4 . 1 1 108 108 ARG CB C 108 30.460 30.460 30.028 0.432 19444
1005 1 4 . 1 1 108 108 ARG H H 108 7.568 7.568 8.444 -0.876 19444
1006 1 4 . 1 1 109 109 ARG N N 109 117.561 117.561 118.511 -0.950 19444
1007 1 4 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.131 -0.133 19444
1008 1 4 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.364 -0.808 19444
1009 1 4 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.407 0.180 19444
1010 1 4 . 1 1 109 109 ARG H H 109 7.281 7.281 8.016 -0.735 19444
1011 1 4 . 1 1 110 110 TYR N N 110 116.115 116.115 117.652 -1.537 19444
1012 1 4 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.111 0.217 19444
1013 1 4 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.033 -0.531 19444
1014 1 4 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.269 -0.780 19444
1015 1 4 . 1 1 110 110 TYR H H 110 8.877 8.877 8.176 0.701 19444
1016 1 4 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.630 -0.151 19444
1017 1 4 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.423 0.370 19444
1018 1 4 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.127 -0.456 19444
1019 1 4 . 1 1 112 112 HIS N N 112 116.277 116.277 115.051 1.226 19444
1020 1 4 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.449 -0.017 19444
1021 1 4 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.287 1.187 19444
1022 1 4 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.754 1.067 19444
1023 1 4 . 1 1 112 112 HIS H H 112 8.300 8.300 8.477 -0.177 19444
1024 1 4 . 1 1 113 113 LEU N N 113 120.770 120.770 119.370 1.400 19444
1025 1 4 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.105 -0.004 19444
1026 1 4 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.469 -1.266 19444
1027 1 4 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.404 1.472 19444
1028 1 4 . 1 1 113 113 LEU H H 113 7.518 7.518 7.120 0.398 19444
1029 1 5 . 1 1 59 59 ALA N N 59 123.352 123.352 121.594 1.758 19444
1030 1 5 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.150 0.134 19444
1031 1 5 . 1 1 59 59 ALA CA C 59 52.296 52.296 52.382 -0.086 19444
1032 1 5 . 1 1 59 59 ALA CB C 59 19.633 19.633 19.284 0.349 19444
1033 1 5 . 1 1 59 59 ALA H H 59 7.997 7.997 8.132 -0.135 19444
1034 1 5 . 1 1 60 60 LEU N N 60 120.985 120.985 120.724 0.261 19444
1035 1 5 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.387 0.066 19444
1036 1 5 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.282 0.005 19444
1037 1 5 . 1 1 60 60 LEU CB C 60 43.255 43.255 42.855 0.400 19444
1038 1 5 . 1 1 60 60 LEU H H 60 8.169 8.169 8.260 -0.091 19444
1039 1 5 . 1 1 61 61 ALA N N 61 125.303 125.303 124.179 1.124 19444
1040 1 5 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.468 0.029 19444
1041 1 5 . 1 1 61 61 ALA CA C 61 51.227 51.227 51.175 0.052 19444
1042 1 5 . 1 1 61 61 ALA CB C 61 20.176 20.176 19.819 0.357 19444
1043 1 5 . 1 1 61 61 ALA H H 61 8.445 8.445 8.212 0.233 19444
1044 1 5 . 1 1 62 62 ALA N N 62 127.804 127.804 127.092 0.712 19444
1045 1 5 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.603 -0.287 19444
1046 1 5 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.263 0.746 19444
1047 1 5 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.882 -0.897 19444
1048 1 5 . 1 1 62 62 ALA H H 62 8.583 8.583 8.964 -0.381 19444
1049 1 5 . 1 1 63 63 LEU N N 63 120.096 120.096 121.632 -1.536 19444
1050 1 5 . 1 1 63 63 LEU HA H 63 4.884 4.884 5.008 -0.123 19444
1051 1 5 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.810 -0.918 19444
1052 1 5 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.375 -1.243 19444
1053 1 5 . 1 1 63 63 LEU H H 63 8.077 8.077 8.280 -0.203 19444
1054 1 5 . 1 1 64 64 HIS N N 64 122.245 122.245 118.743 3.502 19444
1055 1 5 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.632 -0.392 19444
1056 1 5 . 1 1 64 64 HIS CA C 64 58.026 58.026 56.699 1.327 19444
1057 1 5 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.744 -0.406 19444
1058 1 5 . 1 1 64 64 HIS H H 64 8.629 8.629 8.680 -0.051 19444
1059 1 5 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.337 0.013 19444
1060 1 5 . 1 1 65 65 ALA CA C 65 53.349 53.349 52.966 0.383 19444
1061 1 5 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.597 0.121 19444
1062 1 5 . 1 1 66 66 ASP N N 66 115.211 115.211 115.073 0.138 19444
1063 1 5 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.671 0.018 19444
1064 1 5 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.072 -0.550 19444
1065 1 5 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.968 -0.217 19444
1066 1 5 . 1 1 66 66 ASP H H 66 7.869 7.869 7.901 -0.032 19444
1067 1 5 . 1 1 67 67 GLY N N 67 105.349 105.349 108.446 -3.097 19444
1068 1 5 . 1 1 67 67 GLY CA C 67 45.266 45.266 44.906 0.360 19444
1069 1 5 . 1 1 67 67 GLY H H 67 8.441 8.441 8.498 -0.057 19444
1070 1 5 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.249 -0.130 19444
1071 1 5 . 1 1 68 68 PRO CA C 68 64.204 64.204 64.998 -0.794 19444
1072 1 5 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.610 -0.089 19444
1073 1 5 . 1 1 69 69 HIS N N 69 116.893 116.893 115.361 1.532 19444
1074 1 5 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.725 -0.040 19444
1075 1 5 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.660 0.327 19444
1076 1 5 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.330 0.147 19444
1077 1 5 . 1 1 69 69 HIS H H 69 8.503 8.503 8.084 0.419 19444
1078 1 5 . 1 1 70 70 ALA N N 70 120.705 120.705 122.006 -1.301 19444
1079 1 5 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.108 -0.541 19444
1080 1 5 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.691 0.088 19444
1081 1 5 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.305 -0.105 19444
1082 1 5 . 1 1 70 70 ALA H H 70 6.892 6.892 7.490 -0.598 19444
1083 1 5 . 1 1 71 71 GLY N N 71 109.407 109.407 112.560 -3.153 19444
1084 1 5 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.010 0.336 19444
1085 1 5 . 1 1 71 71 GLY H H 71 9.144 9.144 8.988 0.156 19444
1086 1 5 . 1 1 72 72 LEU N N 72 119.969 119.969 122.901 -2.932 19444
1087 1 5 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.704 0.156 19444
1088 1 5 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.200 -0.124 19444
1089 1 5 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.615 -0.151 19444
1090 1 5 . 1 1 72 72 LEU H H 72 8.255 8.255 8.124 0.131 19444
1091 1 5 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.661 0.177 19444
1092 1 5 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.792 -1.282 19444
1093 1 5 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.175 -0.768 19444
1094 1 5 . 1 1 74 74 VAL N N 74 121.438 121.438 120.336 1.102 19444
1095 1 5 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.906 -0.417 19444
1096 1 5 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.093 1.560 19444
1097 1 5 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.132 -0.809 19444
1098 1 5 . 1 1 74 74 VAL H H 74 7.729 7.729 8.321 -0.592 19444
1099 1 5 . 1 1 75 75 THR N N 75 108.826 108.826 109.647 -0.821 19444
1100 1 5 . 1 1 75 75 THR HA H 75 5.015 5.015 4.574 0.441 19444
1101 1 5 . 1 1 75 75 THR CA C 75 59.822 59.822 59.168 0.654 19444
1102 1 5 . 1 1 75 75 THR CB C 75 74.087 74.087 71.855 2.232 19444
1103 1 5 . 1 1 75 75 THR H H 75 8.763 8.763 8.179 0.584 19444
1104 1 5 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.689 0.241 19444
1105 1 5 . 1 1 77 77 SER N N 77 114.493 114.493 114.818 -0.325 19444
1106 1 5 . 1 1 77 77 SER HA H 77 4.133 4.133 4.060 0.073 19444
1107 1 5 . 1 1 77 77 SER CA C 77 60.600 60.600 61.734 -1.135 19444
1108 1 5 . 1 1 77 77 SER CB C 77 62.378 62.378 62.788 -0.410 19444
1109 1 5 . 1 1 77 77 SER H H 77 8.231 8.231 8.280 -0.049 19444
1110 1 5 . 1 1 78 78 ASP N N 78 120.698 120.698 122.519 -1.821 19444
1111 1 5 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.237 0.171 19444
1112 1 5 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.373 0.706 19444
1113 1 5 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.242 3.092 19444
1114 1 5 . 1 1 78 78 ASP H H 78 7.388 7.388 8.030 -0.642 19444
1115 1 5 . 1 1 79 79 ALA N N 79 120.570 120.570 122.448 -1.878 19444
1116 1 5 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.799 -0.075 19444
1117 1 5 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.050 -0.149 19444
1118 1 5 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.152 1.594 19444
1119 1 5 . 1 1 79 79 ALA H H 79 7.873 7.873 8.140 -0.267 19444
1120 1 5 . 1 1 80 80 ARG N N 80 116.347 116.347 119.172 -2.825 19444
1121 1 5 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.010 -0.202 19444
1122 1 5 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.330 2.237 19444
1123 1 5 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.284 0.147 19444
1124 1 5 . 1 1 80 80 ARG H H 80 8.117 8.117 7.913 0.204 19444
1125 1 5 . 1 1 81 81 VAL N N 81 119.158 119.158 120.393 -1.235 19444
1126 1 5 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.779 -0.111 19444
1127 1 5 . 1 1 81 81 VAL CA C 81 66.913 66.913 67.240 -0.327 19444
1128 1 5 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.650 0.122 19444
1129 1 5 . 1 1 81 81 VAL H H 81 7.373 7.373 8.344 -0.971 19444
1130 1 5 . 1 1 82 82 LEU N N 82 118.515 118.515 120.657 -2.142 19444
1131 1 5 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.920 0.192 19444
1132 1 5 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.515 -0.260 19444
1133 1 5 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.561 -0.057 19444
1134 1 5 . 1 1 82 82 LEU H H 82 7.589 7.589 8.190 -0.601 19444
1135 1 5 . 1 1 83 83 ILE N N 83 121.181 121.181 119.476 1.705 19444
1136 1 5 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.694 0.080 19444
1137 1 5 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.690 0.141 19444
1138 1 5 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.949 0.639 19444
1139 1 5 . 1 1 83 83 ILE H H 83 8.755 8.755 8.173 0.582 19444
1140 1 5 . 1 1 84 84 PHE N N 84 123.192 123.192 120.140 3.052 19444
1141 1 5 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.146 0.016 19444
1142 1 5 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.020 0.636 19444
1143 1 5 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.022 0.042 19444
1144 1 5 . 1 1 84 84 PHE H H 84 8.683 8.683 8.703 -0.020 19444
1145 1 5 . 1 1 85 85 ASN N N 85 118.056 118.056 117.556 0.500 19444
1146 1 5 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.212 0.253 19444
1147 1 5 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.314 -0.167 19444
1148 1 5 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.169 -0.266 19444
1149 1 5 . 1 1 85 85 ASN H H 85 8.892 8.892 8.541 0.351 19444
1150 1 5 . 1 1 86 86 ASP N N 86 120.374 120.374 121.337 -0.963 19444
1151 1 5 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.396 0.056 19444
1152 1 5 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.793 -0.496 19444
1153 1 5 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.772 1.495 19444
1154 1 5 . 1 1 86 86 ASP H H 86 8.146 8.146 8.309 -0.163 19444
1155 1 5 . 1 1 87 87 TRP N N 87 121.401 121.401 121.909 -0.508 19444
1156 1 5 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.117 -0.160 19444
1157 1 5 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.448 0.339 19444
1158 1 5 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.482 -1.536 19444
1159 1 5 . 1 1 87 87 TRP H H 87 8.121 8.121 8.510 -0.389 19444
1160 1 5 . 1 1 88 88 GLU N N 88 117.779 117.779 118.751 -0.972 19444
1161 1 5 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.071 -0.126 19444
1162 1 5 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.503 0.167 19444
1163 1 5 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.677 0.863 19444
1164 1 5 . 1 1 88 88 GLU H H 88 8.613 8.613 8.315 0.298 19444
1165 1 5 . 1 1 89 89 GLU N N 89 116.209 116.209 119.345 -3.136 19444
1166 1 5 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.902 0.099 19444
1167 1 5 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.343 -0.853 19444
1168 1 5 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.547 0.341 19444
1169 1 5 . 1 1 89 89 GLU H H 89 7.456 7.456 7.790 -0.334 19444
1170 1 5 . 1 1 90 90 ARG N N 90 119.957 119.957 118.557 1.400 19444
1171 1 5 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.912 0.041 19444
1172 1 5 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.298 0.279 19444
1173 1 5 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.599 2.132 19444
1174 1 5 . 1 1 90 90 ARG H H 90 8.134 8.134 8.522 -0.388 19444
1175 1 5 . 1 1 91 91 LYS N N 91 118.871 118.871 120.422 -1.551 19444
1176 1 5 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.031 -0.359 19444
1177 1 5 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.612 -0.902 19444
1178 1 5 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.656 -1.151 19444
1179 1 5 . 1 1 91 91 LYS H H 91 8.325 8.325 7.994 0.331 19444
1180 1 5 . 1 1 92 92 ARG N N 92 117.453 117.453 118.338 -0.885 19444
1181 1 5 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.916 -0.041 19444
1182 1 5 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.508 0.373 19444
1183 1 5 . 1 1 92 92 ARG CB C 92 29.785 29.785 29.969 -0.184 19444
1184 1 5 . 1 1 92 92 ARG H H 92 7.069 7.069 7.793 -0.724 19444
1185 1 5 . 1 1 93 93 SER N N 93 110.842 110.842 113.756 -2.914 19444
1186 1 5 . 1 1 93 93 SER HA H 93 4.513 4.513 4.226 0.287 19444
1187 1 5 . 1 1 93 93 SER CA C 93 58.762 58.762 60.261 -1.499 19444
1188 1 5 . 1 1 93 93 SER CB C 93 64.164 64.164 63.940 0.224 19444
1189 1 5 . 1 1 93 93 SER H H 93 7.427 7.427 7.604 -0.177 19444
1190 1 5 . 1 1 94 94 GLU N N 94 121.732 121.732 119.160 2.572 19444
1191 1 5 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.102 -0.425 19444
1192 1 5 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.695 0.191 19444
1193 1 5 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.515 -0.461 19444
1194 1 5 . 1 1 94 94 GLU H H 94 7.629 7.629 7.843 -0.214 19444
1195 1 5 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.423 -0.115 19444
1196 1 5 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.286 0.345 19444
1197 1 5 . 1 1 95 95 PRO CB C 95 31.484 31.484 32.098 -0.614 19444
1198 1 5 . 1 1 96 96 TRP N N 96 115.321 115.321 116.983 -1.662 19444
1199 1 5 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.787 -0.132 19444
1200 1 5 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.614 2.152 19444
1201 1 5 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.538 -0.522 19444
1202 1 5 . 1 1 96 96 TRP H H 96 6.840 6.840 7.012 -0.172 19444
1203 1 5 . 1 1 97 97 LEU N N 97 125.159 125.159 124.348 0.811 19444
1204 1 5 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.439 -0.262 19444
1205 1 5 . 1 1 97 97 LEU CA C 97 56.099 56.099 55.062 1.037 19444
1206 1 5 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.260 0.969 19444
1207 1 5 . 1 1 97 97 LEU H H 97 7.287 7.287 7.277 0.010 19444
1208 1 5 . 1 1 98 98 ARG N N 98 128.515 128.515 128.275 0.240 19444
1209 1 5 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.748 -0.160 19444
1210 1 5 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.581 -0.491 19444
1211 1 5 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.222 0.114 19444
1212 1 5 . 1 1 98 98 ARG H H 98 8.898 8.898 8.626 0.272 19444
1213 1 5 . 1 1 99 99 LEU N N 99 127.834 127.834 123.065 4.769 19444
1214 1 5 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.331 -0.735 19444
1215 1 5 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.074 0.504 19444
1216 1 5 . 1 1 99 99 LEU CB C 99 40.174 40.174 42.829 -2.655 19444
1217 1 5 . 1 1 99 99 LEU H H 99 8.362 8.362 8.344 0.018 19444
1218 1 5 . 1 1 100 100 ASP N N 100 127.038 127.038 126.407 0.631 19444
1219 1 5 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.919 -0.207 19444
1220 1 5 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.081 -1.067 19444
1221 1 5 . 1 1 100 100 ASP CB C 100 41.398 41.398 43.117 -1.720 19444
1222 1 5 . 1 1 100 100 ASP H H 100 7.998 7.998 8.577 -0.579 19444
1223 1 5 . 1 1 101 101 MET N N 101 122.551 122.551 118.899 3.652 19444
1224 1 5 . 1 1 101 101 MET HA H 101 4.533 4.533 4.707 -0.174 19444
1225 1 5 . 1 1 101 101 MET CA C 101 53.583 53.583 54.767 -1.184 19444
1226 1 5 . 1 1 101 101 MET CB C 101 33.400 33.400 33.455 -0.055 19444
1227 1 5 . 1 1 101 101 MET H H 101 8.761 8.761 8.459 0.302 19444
1228 1 5 . 1 1 102 102 SER N N 102 116.261 116.261 116.659 -0.398 19444
1229 1 5 . 1 1 102 102 SER HA H 102 4.191 4.191 3.806 0.385 19444
1230 1 5 . 1 1 102 102 SER CA C 102 58.655 58.655 57.876 0.779 19444
1231 1 5 . 1 1 102 102 SER CB C 102 64.764 64.764 63.704 1.060 19444
1232 1 5 . 1 1 102 102 SER H H 102 8.212 8.212 7.848 0.364 19444
1233 1 5 . 1 1 103 103 ASP N N 103 121.700 121.700 125.973 -4.273 19444
1234 1 5 . 1 1 103 103 ASP HA H 103 3.813 3.813 3.985 -0.172 19444
1235 1 5 . 1 1 103 103 ASP CA C 103 57.468 57.468 56.992 0.476 19444
1236 1 5 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.376 -1.592 19444
1237 1 5 . 1 1 103 103 ASP H H 103 8.791 8.791 8.655 0.136 19444
1238 1 5 . 1 1 104 104 LYS N N 104 116.308 116.308 119.615 -3.307 19444
1239 1 5 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.204 -0.423 19444
1240 1 5 . 1 1 104 104 LYS CA C 104 59.839 59.839 59.066 0.773 19444
1241 1 5 . 1 1 104 104 LYS CB C 104 32.172 32.172 32.236 -0.064 19444
1242 1 5 . 1 1 104 104 LYS H H 104 7.886 7.886 7.629 0.257 19444
1243 1 5 . 1 1 105 105 ALA N N 105 122.364 122.364 123.011 -0.647 19444
1244 1 5 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.152 -0.192 19444
1245 1 5 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.850 0.188 19444
1246 1 5 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.023 -0.083 19444
1247 1 5 . 1 1 105 105 ALA H H 105 7.343 7.343 7.235 0.108 19444
1248 1 5 . 1 1 106 106 ILE N N 106 119.713 119.713 119.439 0.274 19444
1249 1 5 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.688 -0.210 19444
1250 1 5 . 1 1 106 106 ILE CA C 106 66.198 66.198 63.510 2.688 19444
1251 1 5 . 1 1 106 106 ILE CB C 106 37.523 37.523 36.208 1.315 19444
1252 1 5 . 1 1 106 106 ILE H H 106 8.124 8.124 8.238 -0.114 19444
1253 1 5 . 1 1 107 107 PHE N N 107 117.557 117.557 118.327 -0.770 19444
1254 1 5 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.603 -0.157 19444
1255 1 5 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.905 -2.978 19444
1256 1 5 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.857 -0.593 19444
1257 1 5 . 1 1 107 107 PHE H H 107 8.448 8.448 8.008 0.440 19444
1258 1 5 . 1 1 108 108 ARG N N 108 117.407 117.407 118.830 -1.423 19444
1259 1 5 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.238 -0.155 19444
1260 1 5 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.227 0.402 19444
1261 1 5 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.900 0.560 19444
1262 1 5 . 1 1 108 108 ARG H H 108 7.568 7.568 8.311 -0.743 19444
1263 1 5 . 1 1 109 109 ARG N N 109 117.561 117.561 116.938 0.623 19444
1264 1 5 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.134 -0.136 19444
1265 1 5 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.213 -0.658 19444
1266 1 5 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.356 0.231 19444
1267 1 5 . 1 1 109 109 ARG H H 109 7.281 7.281 7.942 -0.661 19444
1268 1 5 . 1 1 110 110 TYR N N 110 116.115 116.115 117.357 -1.242 19444
1269 1 5 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.066 0.262 19444
1270 1 5 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.291 -0.790 19444
1271 1 5 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.526 -1.037 19444
1272 1 5 . 1 1 110 110 TYR H H 110 8.877 8.877 8.251 0.626 19444
1273 1 5 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.693 -0.214 19444
1274 1 5 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.256 0.537 19444
1275 1 5 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.197 -0.526 19444
1276 1 5 . 1 1 112 112 HIS N N 112 116.277 116.277 116.944 -0.667 19444
1277 1 5 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.539 -0.107 19444
1278 1 5 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.521 0.953 19444
1279 1 5 . 1 1 112 112 HIS CB C 112 28.821 28.821 28.121 0.700 19444
1280 1 5 . 1 1 112 112 HIS H H 112 8.300 8.300 8.511 -0.211 19444
1281 1 5 . 1 1 113 113 LEU N N 113 120.770 120.770 119.913 0.857 19444
1282 1 5 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.142 -0.041 19444
1283 1 5 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.367 -1.164 19444
1284 1 5 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.621 1.256 19444
1285 1 5 . 1 1 113 113 LEU H H 113 7.518 7.518 7.172 0.346 19444
1286 1 6 . 1 1 59 59 ALA N N 59 123.352 123.352 122.969 0.383 19444
1287 1 6 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.527 -0.243 19444
1288 1 6 . 1 1 59 59 ALA CA C 59 52.296 52.296 52.073 0.223 19444
1289 1 6 . 1 1 59 59 ALA CB C 59 19.633 19.633 19.820 -0.187 19444
1290 1 6 . 1 1 59 59 ALA H H 59 7.997 7.997 7.697 0.300 19444
1291 1 6 . 1 1 60 60 LEU N N 60 120.985 120.985 119.790 1.195 19444
1292 1 6 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.618 -0.165 19444
1293 1 6 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.703 -0.416 19444
1294 1 6 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.387 -0.132 19444
1295 1 6 . 1 1 60 60 LEU H H 60 8.169 8.169 8.196 -0.027 19444
1296 1 6 . 1 1 61 61 ALA N N 61 125.303 125.303 123.632 1.671 19444
1297 1 6 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.735 -0.238 19444
1298 1 6 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.798 0.429 19444
1299 1 6 . 1 1 61 61 ALA CB C 61 20.176 20.176 21.535 -1.359 19444
1300 1 6 . 1 1 61 61 ALA H H 61 8.445 8.445 8.255 0.190 19444
1301 1 6 . 1 1 62 62 ALA N N 62 127.804 127.804 125.430 2.374 19444
1302 1 6 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.749 -0.433 19444
1303 1 6 . 1 1 62 62 ALA CA C 62 52.009 52.009 50.809 1.200 19444
1304 1 6 . 1 1 62 62 ALA CB C 62 18.985 18.985 20.152 -1.167 19444
1305 1 6 . 1 1 62 62 ALA H H 62 8.583 8.583 9.096 -0.513 19444
1306 1 6 . 1 1 63 63 LEU N N 63 120.096 120.096 120.838 -0.742 19444
1307 1 6 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.975 -0.091 19444
1308 1 6 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.845 -0.953 19444
1309 1 6 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.499 -1.367 19444
1310 1 6 . 1 1 63 63 LEU H H 63 8.077 8.077 8.271 -0.194 19444
1311 1 6 . 1 1 64 64 HIS N N 64 122.245 122.245 118.786 3.459 19444
1312 1 6 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.606 -0.366 19444
1313 1 6 . 1 1 64 64 HIS CA C 64 58.026 58.026 56.971 1.055 19444
1314 1 6 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.396 -0.059 19444
1315 1 6 . 1 1 64 64 HIS H H 64 8.629 8.629 8.696 -0.067 19444
1316 1 6 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.302 0.048 19444
1317 1 6 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.147 0.202 19444
1318 1 6 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.712 0.006 19444
1319 1 6 . 1 1 66 66 ASP N N 66 115.211 115.211 115.090 0.121 19444
1320 1 6 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.734 -0.045 19444
1321 1 6 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.259 -0.737 19444
1322 1 6 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.814 -0.063 19444
1323 1 6 . 1 1 66 66 ASP H H 66 7.869 7.869 7.792 0.077 19444
1324 1 6 . 1 1 67 67 GLY N N 67 105.349 105.349 109.765 -4.416 19444
1325 1 6 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.044 0.223 19444
1326 1 6 . 1 1 67 67 GLY H H 67 8.441 8.441 8.374 0.067 19444
1327 1 6 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.254 -0.135 19444
1328 1 6 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.027 -0.823 19444
1329 1 6 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.622 -0.101 19444
1330 1 6 . 1 1 69 69 HIS N N 69 116.893 116.893 115.389 1.504 19444
1331 1 6 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.737 -0.052 19444
1332 1 6 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.606 0.380 19444
1333 1 6 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.290 0.187 19444
1334 1 6 . 1 1 69 69 HIS H H 69 8.503 8.503 8.169 0.334 19444
1335 1 6 . 1 1 70 70 ALA N N 70 120.705 120.705 122.013 -1.308 19444
1336 1 6 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.112 -0.545 19444
1337 1 6 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.681 0.097 19444
1338 1 6 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.287 -0.087 19444
1339 1 6 . 1 1 70 70 ALA H H 70 6.892 6.892 7.484 -0.592 19444
1340 1 6 . 1 1 71 71 GLY N N 71 109.407 109.407 113.697 -4.290 19444
1341 1 6 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.024 0.322 19444
1342 1 6 . 1 1 71 71 GLY H H 71 9.144 9.144 9.005 0.139 19444
1343 1 6 . 1 1 72 72 LEU N N 72 119.969 119.969 121.633 -1.664 19444
1344 1 6 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.778 0.082 19444
1345 1 6 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.321 -0.245 19444
1346 1 6 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.777 -0.313 19444
1347 1 6 . 1 1 72 72 LEU H H 72 8.255 8.255 8.184 0.071 19444
1348 1 6 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.703 0.135 19444
1349 1 6 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.704 -1.194 19444
1350 1 6 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.209 -0.802 19444
1351 1 6 . 1 1 74 74 VAL N N 74 121.438 121.438 119.918 1.520 19444
1352 1 6 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.938 -0.449 19444
1353 1 6 . 1 1 74 74 VAL CA C 74 65.653 65.653 63.914 1.739 19444
1354 1 6 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.175 -0.852 19444
1355 1 6 . 1 1 74 74 VAL H H 74 7.729 7.729 8.154 -0.425 19444
1356 1 6 . 1 1 75 75 THR N N 75 108.826 108.826 109.760 -0.934 19444
1357 1 6 . 1 1 75 75 THR HA H 75 5.015 5.015 4.592 0.423 19444
1358 1 6 . 1 1 75 75 THR CA C 75 59.822 59.822 59.177 0.645 19444
1359 1 6 . 1 1 75 75 THR CB C 75 74.087 74.087 71.915 2.172 19444
1360 1 6 . 1 1 75 75 THR H H 75 8.763 8.763 8.160 0.603 19444
1361 1 6 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.727 0.203 19444
1362 1 6 . 1 1 77 77 SER N N 77 114.493 114.493 114.745 -0.252 19444
1363 1 6 . 1 1 77 77 SER HA H 77 4.133 4.133 4.099 0.034 19444
1364 1 6 . 1 1 77 77 SER CA C 77 60.600 60.600 61.838 -1.238 19444
1365 1 6 . 1 1 77 77 SER CB C 77 62.378 62.378 62.724 -0.346 19444
1366 1 6 . 1 1 77 77 SER H H 77 8.231 8.231 8.325 -0.094 19444
1367 1 6 . 1 1 78 78 ASP N N 78 120.698 120.698 122.640 -1.942 19444
1368 1 6 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.312 0.096 19444
1369 1 6 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.382 0.697 19444
1370 1 6 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.346 2.988 19444
1371 1 6 . 1 1 78 78 ASP H H 78 7.388 7.388 8.090 -0.702 19444
1372 1 6 . 1 1 79 79 ALA N N 79 120.570 120.570 122.568 -1.998 19444
1373 1 6 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.781 -0.057 19444
1374 1 6 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.048 -0.147 19444
1375 1 6 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.150 1.596 19444
1376 1 6 . 1 1 79 79 ALA H H 79 7.873 7.873 8.160 -0.287 19444
1377 1 6 . 1 1 80 80 ARG N N 80 116.347 116.347 119.078 -2.731 19444
1378 1 6 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.053 -0.245 19444
1379 1 6 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.484 2.083 19444
1380 1 6 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.426 0.005 19444
1381 1 6 . 1 1 80 80 ARG H H 80 8.117 8.117 8.244 -0.127 19444
1382 1 6 . 1 1 81 81 VAL N N 81 119.158 119.158 120.076 -0.918 19444
1383 1 6 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.854 -0.186 19444
1384 1 6 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.795 0.118 19444
1385 1 6 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.690 0.082 19444
1386 1 6 . 1 1 81 81 VAL H H 81 7.373 7.373 8.289 -0.916 19444
1387 1 6 . 1 1 82 82 LEU N N 82 118.515 118.515 121.349 -2.834 19444
1388 1 6 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.943 0.169 19444
1389 1 6 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.675 -0.420 19444
1390 1 6 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.550 -0.046 19444
1391 1 6 . 1 1 82 82 LEU H H 82 7.589 7.589 8.349 -0.760 19444
1392 1 6 . 1 1 83 83 ILE N N 83 121.181 121.181 119.630 1.551 19444
1393 1 6 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.682 0.092 19444
1394 1 6 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.746 0.085 19444
1395 1 6 . 1 1 83 83 ILE CB C 83 38.588 38.588 38.012 0.576 19444
1396 1 6 . 1 1 83 83 ILE H H 83 8.755 8.755 8.247 0.508 19444
1397 1 6 . 1 1 84 84 PHE N N 84 123.192 123.192 120.204 2.988 19444
1398 1 6 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.084 0.078 19444
1399 1 6 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.054 0.602 19444
1400 1 6 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.224 -0.160 19444
1401 1 6 . 1 1 84 84 PHE H H 84 8.683 8.683 8.612 0.071 19444
1402 1 6 . 1 1 85 85 ASN N N 85 118.056 118.056 117.801 0.255 19444
1403 1 6 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.252 0.213 19444
1404 1 6 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.824 -0.677 19444
1405 1 6 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.529 -0.626 19444
1406 1 6 . 1 1 85 85 ASN H H 85 8.892 8.892 8.674 0.218 19444
1407 1 6 . 1 1 86 86 ASP N N 86 120.374 120.374 121.471 -1.097 19444
1408 1 6 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.422 0.030 19444
1409 1 6 . 1 1 86 86 ASP CA C 86 57.297 57.297 58.077 -0.780 19444
1410 1 6 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.817 1.450 19444
1411 1 6 . 1 1 86 86 ASP H H 86 8.146 8.146 8.420 -0.274 19444
1412 1 6 . 1 1 87 87 TRP N N 87 121.401 121.401 121.743 -0.342 19444
1413 1 6 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.125 -0.168 19444
1414 1 6 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.372 0.415 19444
1415 1 6 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.540 -1.594 19444
1416 1 6 . 1 1 87 87 TRP H H 87 8.121 8.121 8.448 -0.327 19444
1417 1 6 . 1 1 88 88 GLU N N 88 117.779 117.779 118.817 -1.038 19444
1418 1 6 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.128 -0.182 19444
1419 1 6 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.450 0.219 19444
1420 1 6 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.734 0.806 19444
1421 1 6 . 1 1 88 88 GLU H H 88 8.613 8.613 8.358 0.255 19444
1422 1 6 . 1 1 89 89 GLU N N 89 116.209 116.209 119.592 -3.383 19444
1423 1 6 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.918 0.083 19444
1424 1 6 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.230 -0.740 19444
1425 1 6 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.456 0.433 19444
1426 1 6 . 1 1 89 89 GLU H H 89 7.456 7.456 7.898 -0.442 19444
1427 1 6 . 1 1 90 90 ARG N N 90 119.957 119.957 118.371 1.586 19444
1428 1 6 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.975 -0.022 19444
1429 1 6 . 1 1 90 90 ARG CA C 90 58.577 58.577 57.666 0.911 19444
1430 1 6 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.724 2.006 19444
1431 1 6 . 1 1 90 90 ARG H H 90 8.134 8.134 8.219 -0.085 19444
1432 1 6 . 1 1 91 91 LYS N N 91 118.871 118.871 120.787 -1.916 19444
1433 1 6 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.019 -0.347 19444
1434 1 6 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.552 -0.842 19444
1435 1 6 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.629 -1.124 19444
1436 1 6 . 1 1 91 91 LYS H H 91 8.325 8.325 7.969 0.356 19444
1437 1 6 . 1 1 92 92 ARG N N 92 117.453 117.453 118.471 -1.018 19444
1438 1 6 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.960 -0.085 19444
1439 1 6 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.582 0.299 19444
1440 1 6 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.127 -0.342 19444
1441 1 6 . 1 1 92 92 ARG H H 92 7.069 7.069 7.819 -0.750 19444
1442 1 6 . 1 1 93 93 SER N N 93 110.842 110.842 113.645 -2.803 19444
1443 1 6 . 1 1 93 93 SER HA H 93 4.513 4.513 4.229 0.284 19444
1444 1 6 . 1 1 93 93 SER CA C 93 58.762 58.762 60.434 -1.672 19444
1445 1 6 . 1 1 93 93 SER CB C 93 64.164 64.164 63.927 0.237 19444
1446 1 6 . 1 1 93 93 SER H H 93 7.427 7.427 7.719 -0.292 19444
1447 1 6 . 1 1 94 94 GLU N N 94 121.732 121.732 118.814 2.918 19444
1448 1 6 . 1 1 94 94 GLU HA H 94 3.677 3.677 3.974 -0.297 19444
1449 1 6 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.804 0.082 19444
1450 1 6 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.156 -0.102 19444
1451 1 6 . 1 1 94 94 GLU H H 94 7.629 7.629 7.669 -0.040 19444
1452 1 6 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.326 -0.018 19444
1453 1 6 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.317 0.314 19444
1454 1 6 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.815 -0.331 19444
1455 1 6 . 1 1 96 96 TRP N N 96 115.321 115.321 116.060 -0.739 19444
1456 1 6 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.741 -0.086 19444
1457 1 6 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.563 2.203 19444
1458 1 6 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.860 -0.844 19444
1459 1 6 . 1 1 96 96 TRP H H 96 6.840 6.840 7.051 -0.211 19444
1460 1 6 . 1 1 97 97 LEU N N 97 125.159 125.159 124.384 0.775 19444
1461 1 6 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.481 -0.304 19444
1462 1 6 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.675 1.425 19444
1463 1 6 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.232 0.996 19444
1464 1 6 . 1 1 97 97 LEU H H 97 7.287 7.287 7.302 -0.015 19444
1465 1 6 . 1 1 98 98 ARG N N 98 128.515 128.515 128.242 0.273 19444
1466 1 6 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.736 -0.148 19444
1467 1 6 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.873 -0.783 19444
1468 1 6 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.250 0.086 19444
1469 1 6 . 1 1 98 98 ARG H H 98 8.898 8.898 8.632 0.266 19444
1470 1 6 . 1 1 99 99 LEU N N 99 127.834 127.834 123.753 4.081 19444
1471 1 6 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.207 -0.611 19444
1472 1 6 . 1 1 99 99 LEU CA C 99 54.578 54.578 53.949 0.629 19444
1473 1 6 . 1 1 99 99 LEU CB C 99 40.174 40.174 43.112 -2.938 19444
1474 1 6 . 1 1 99 99 LEU H H 99 8.362 8.362 8.268 0.094 19444
1475 1 6 . 1 1 100 100 ASP N N 100 127.038 127.038 127.375 -0.337 19444
1476 1 6 . 1 1 100 100 ASP HA H 100 4.712 4.712 5.077 -0.365 19444
1477 1 6 . 1 1 100 100 ASP CA C 100 53.014 53.014 53.954 -0.940 19444
1478 1 6 . 1 1 100 100 ASP CB C 100 41.398 41.398 43.163 -1.765 19444
1479 1 6 . 1 1 100 100 ASP H H 100 7.998 7.998 8.440 -0.442 19444
1480 1 6 . 1 1 101 101 MET N N 101 122.551 122.551 119.503 3.048 19444
1481 1 6 . 1 1 101 101 MET HA H 101 4.533 4.533 4.797 -0.264 19444
1482 1 6 . 1 1 101 101 MET CA C 101 53.583 53.583 55.313 -1.730 19444
1483 1 6 . 1 1 101 101 MET CB C 101 33.400 33.400 34.107 -0.707 19444
1484 1 6 . 1 1 101 101 MET H H 101 8.761 8.761 8.354 0.407 19444
1485 1 6 . 1 1 102 102 SER N N 102 116.261 116.261 118.021 -1.760 19444
1486 1 6 . 1 1 102 102 SER HA H 102 4.191 4.191 4.136 0.055 19444
1487 1 6 . 1 1 102 102 SER CA C 102 58.655 58.655 57.737 0.918 19444
1488 1 6 . 1 1 102 102 SER CB C 102 64.764 64.764 64.406 0.358 19444
1489 1 6 . 1 1 102 102 SER H H 102 8.212 8.212 8.091 0.121 19444
1490 1 6 . 1 1 103 103 ASP N N 103 121.700 121.700 123.933 -2.233 19444
1491 1 6 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.067 -0.254 19444
1492 1 6 . 1 1 103 103 ASP CA C 103 57.468 57.468 56.996 0.472 19444
1493 1 6 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.267 -1.483 19444
1494 1 6 . 1 1 103 103 ASP H H 103 8.791 8.791 8.722 0.069 19444
1495 1 6 . 1 1 104 104 LYS N N 104 116.308 116.308 119.732 -3.424 19444
1496 1 6 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.239 -0.458 19444
1497 1 6 . 1 1 104 104 LYS CA C 104 59.839 59.839 59.163 0.676 19444
1498 1 6 . 1 1 104 104 LYS CB C 104 32.172 32.172 32.374 -0.202 19444
1499 1 6 . 1 1 104 104 LYS H H 104 7.886 7.886 7.772 0.114 19444
1500 1 6 . 1 1 105 105 ALA N N 105 122.364 122.364 122.402 -0.038 19444
1501 1 6 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.172 -0.212 19444
1502 1 6 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.948 0.090 19444
1503 1 6 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.200 -0.259 19444
1504 1 6 . 1 1 105 105 ALA H H 105 7.343 7.343 7.664 -0.321 19444
1505 1 6 . 1 1 106 106 ILE N N 106 119.713 119.713 119.560 0.153 19444
1506 1 6 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.752 -0.274 19444
1507 1 6 . 1 1 106 106 ILE CA C 106 66.198 66.198 63.479 2.719 19444
1508 1 6 . 1 1 106 106 ILE CB C 106 37.523 37.523 36.253 1.270 19444
1509 1 6 . 1 1 106 106 ILE H H 106 8.124 8.124 8.018 0.106 19444
1510 1 6 . 1 1 107 107 PHE N N 107 117.557 117.557 118.633 -1.076 19444
1511 1 6 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.585 -0.139 19444
1512 1 6 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.771 -2.844 19444
1513 1 6 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.898 -0.634 19444
1514 1 6 . 1 1 107 107 PHE H H 107 8.448 8.448 8.361 0.087 19444
1515 1 6 . 1 1 108 108 ARG N N 108 117.407 117.407 118.402 -0.995 19444
1516 1 6 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.232 -0.149 19444
1517 1 6 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.050 0.579 19444
1518 1 6 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.860 0.600 19444
1519 1 6 . 1 1 108 108 ARG H H 108 7.568 7.568 8.222 -0.654 19444
1520 1 6 . 1 1 109 109 ARG N N 109 117.561 117.561 116.879 0.682 19444
1521 1 6 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.176 -0.178 19444
1522 1 6 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.050 -0.495 19444
1523 1 6 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.472 0.115 19444
1524 1 6 . 1 1 109 109 ARG H H 109 7.281 7.281 7.924 -0.643 19444
1525 1 6 . 1 1 110 110 TYR N N 110 116.115 116.115 117.470 -1.355 19444
1526 1 6 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.090 0.238 19444
1527 1 6 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.329 -0.827 19444
1528 1 6 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.471 -0.982 19444
1529 1 6 . 1 1 110 110 TYR H H 110 8.877 8.877 8.316 0.561 19444
1530 1 6 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.617 -0.138 19444
1531 1 6 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.387 0.406 19444
1532 1 6 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.199 -0.528 19444
1533 1 6 . 1 1 112 112 HIS N N 112 116.277 116.277 114.939 1.338 19444
1534 1 6 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.462 -0.030 19444
1535 1 6 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.047 1.427 19444
1536 1 6 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.766 1.055 19444
1537 1 6 . 1 1 112 112 HIS H H 112 8.300 8.300 8.490 -0.190 19444
1538 1 6 . 1 1 113 113 LEU N N 113 120.770 120.770 119.635 1.135 19444
1539 1 6 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.136 -0.035 19444
1540 1 6 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.261 -1.058 19444
1541 1 6 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.381 1.496 19444
1542 1 6 . 1 1 113 113 LEU H H 113 7.518 7.518 7.066 0.452 19444
1543 1 7 . 1 1 59 59 ALA N N 59 123.352 123.352 121.865 1.487 19444
1544 1 7 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.128 0.156 19444
1545 1 7 . 1 1 59 59 ALA CA C 59 52.296 52.296 52.436 -0.140 19444
1546 1 7 . 1 1 59 59 ALA CB C 59 19.633 19.633 18.840 0.793 19444
1547 1 7 . 1 1 59 59 ALA H H 59 7.997 7.997 8.165 -0.168 19444
1548 1 7 . 1 1 60 60 LEU N N 60 120.985 120.985 120.981 0.004 19444
1549 1 7 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.349 0.104 19444
1550 1 7 . 1 1 60 60 LEU CA C 60 54.287 54.287 55.083 -0.796 19444
1551 1 7 . 1 1 60 60 LEU CB C 60 43.255 43.255 42.851 0.404 19444
1552 1 7 . 1 1 60 60 LEU H H 60 8.169 8.169 8.233 -0.064 19444
1553 1 7 . 1 1 61 61 ALA N N 61 125.303 125.303 124.299 1.004 19444
1554 1 7 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.587 -0.090 19444
1555 1 7 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.654 0.573 19444
1556 1 7 . 1 1 61 61 ALA CB C 61 20.176 20.176 21.507 -1.331 19444
1557 1 7 . 1 1 61 61 ALA H H 61 8.445 8.445 7.952 0.493 19444
1558 1 7 . 1 1 62 62 ALA N N 62 127.804 127.804 125.520 2.284 19444
1559 1 7 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.671 -0.355 19444
1560 1 7 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.156 0.853 19444
1561 1 7 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.872 -0.887 19444
1562 1 7 . 1 1 62 62 ALA H H 62 8.583 8.583 9.072 -0.489 19444
1563 1 7 . 1 1 63 63 LEU N N 63 120.096 120.096 121.405 -1.309 19444
1564 1 7 . 1 1 63 63 LEU HA H 63 4.884 4.884 5.005 -0.121 19444
1565 1 7 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.801 -0.909 19444
1566 1 7 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.485 -1.353 19444
1567 1 7 . 1 1 63 63 LEU H H 63 8.077 8.077 8.259 -0.182 19444
1568 1 7 . 1 1 64 64 HIS N N 64 122.245 122.245 118.760 3.485 19444
1569 1 7 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.603 -0.363 19444
1570 1 7 . 1 1 64 64 HIS CA C 64 58.026 58.026 56.953 1.073 19444
1571 1 7 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.406 -0.068 19444
1572 1 7 . 1 1 64 64 HIS H H 64 8.629 8.629 8.658 -0.029 19444
1573 1 7 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.302 0.048 19444
1574 1 7 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.115 0.234 19444
1575 1 7 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.721 -0.003 19444
1576 1 7 . 1 1 66 66 ASP N N 66 115.211 115.211 115.147 0.064 19444
1577 1 7 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.732 -0.043 19444
1578 1 7 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.250 -0.728 19444
1579 1 7 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.786 -0.035 19444
1580 1 7 . 1 1 66 66 ASP H H 66 7.869 7.869 7.789 0.080 19444
1581 1 7 . 1 1 67 67 GLY N N 67 105.349 105.349 109.818 -4.469 19444
1582 1 7 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.084 0.182 19444
1583 1 7 . 1 1 67 67 GLY H H 67 8.441 8.441 8.384 0.057 19444
1584 1 7 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.251 -0.132 19444
1585 1 7 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.011 -0.807 19444
1586 1 7 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.609 -0.088 19444
1587 1 7 . 1 1 69 69 HIS N N 69 116.893 116.893 115.332 1.561 19444
1588 1 7 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.726 -0.041 19444
1589 1 7 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.647 0.340 19444
1590 1 7 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.336 0.141 19444
1591 1 7 . 1 1 69 69 HIS H H 69 8.503 8.503 8.123 0.380 19444
1592 1 7 . 1 1 70 70 ALA N N 70 120.705 120.705 122.015 -1.310 19444
1593 1 7 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.119 -0.552 19444
1594 1 7 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.666 0.113 19444
1595 1 7 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.284 -0.084 19444
1596 1 7 . 1 1 70 70 ALA H H 70 6.892 6.892 7.483 -0.591 19444
1597 1 7 . 1 1 71 71 GLY N N 71 109.407 109.407 113.759 -4.352 19444
1598 1 7 . 1 1 71 71 GLY CA C 71 45.346 45.346 44.993 0.353 19444
1599 1 7 . 1 1 71 71 GLY H H 71 9.144 9.144 8.998 0.146 19444
1600 1 7 . 1 1 72 72 LEU N N 72 119.969 119.969 121.834 -1.865 19444
1601 1 7 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.724 0.136 19444
1602 1 7 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.434 -0.358 19444
1603 1 7 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.742 -0.278 19444
1604 1 7 . 1 1 72 72 LEU H H 72 8.255 8.255 8.082 0.173 19444
1605 1 7 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.678 0.160 19444
1606 1 7 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.698 -1.188 19444
1607 1 7 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.194 -0.787 19444
1608 1 7 . 1 1 74 74 VAL N N 74 121.438 121.438 120.397 1.041 19444
1609 1 7 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.907 -0.418 19444
1610 1 7 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.126 1.527 19444
1611 1 7 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.129 -0.806 19444
1612 1 7 . 1 1 74 74 VAL H H 74 7.729 7.729 8.272 -0.543 19444
1613 1 7 . 1 1 75 75 THR N N 75 108.826 108.826 109.992 -1.166 19444
1614 1 7 . 1 1 75 75 THR HA H 75 5.015 5.015 4.593 0.422 19444
1615 1 7 . 1 1 75 75 THR CA C 75 59.822 59.822 59.265 0.557 19444
1616 1 7 . 1 1 75 75 THR CB C 75 74.087 74.087 71.871 2.216 19444
1617 1 7 . 1 1 75 75 THR H H 75 8.763 8.763 8.207 0.556 19444
1618 1 7 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.745 0.185 19444
1619 1 7 . 1 1 77 77 SER N N 77 114.493 114.493 115.225 -0.732 19444
1620 1 7 . 1 1 77 77 SER HA H 77 4.133 4.133 4.135 -0.002 19444
1621 1 7 . 1 1 77 77 SER CA C 77 60.600 60.600 61.397 -0.797 19444
1622 1 7 . 1 1 77 77 SER CB C 77 62.378 62.378 62.613 -0.235 19444
1623 1 7 . 1 1 77 77 SER H H 77 8.231 8.231 8.260 -0.029 19444
1624 1 7 . 1 1 78 78 ASP N N 78 120.698 120.698 122.537 -1.839 19444
1625 1 7 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.317 0.091 19444
1626 1 7 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.347 0.732 19444
1627 1 7 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.356 2.978 19444
1628 1 7 . 1 1 78 78 ASP H H 78 7.388 7.388 8.003 -0.615 19444
1629 1 7 . 1 1 79 79 ALA N N 79 120.570 120.570 122.645 -2.075 19444
1630 1 7 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.831 -0.107 19444
1631 1 7 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.125 -0.224 19444
1632 1 7 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.197 1.549 19444
1633 1 7 . 1 1 79 79 ALA H H 79 7.873 7.873 8.244 -0.371 19444
1634 1 7 . 1 1 80 80 ARG N N 80 116.347 116.347 119.544 -3.197 19444
1635 1 7 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.029 -0.221 19444
1636 1 7 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.306 2.261 19444
1637 1 7 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.304 0.127 19444
1638 1 7 . 1 1 80 80 ARG H H 80 8.117 8.117 8.115 0.002 19444
1639 1 7 . 1 1 81 81 VAL N N 81 119.158 119.158 120.465 -1.307 19444
1640 1 7 . 1 1 81 81 VAL HA H 81 3.668 3.668 4.102 -0.434 19444
1641 1 7 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.484 0.429 19444
1642 1 7 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.787 -0.015 19444
1643 1 7 . 1 1 81 81 VAL H H 81 7.373 7.373 8.262 -0.889 19444
1644 1 7 . 1 1 82 82 LEU N N 82 118.515 118.515 121.438 -2.923 19444
1645 1 7 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.882 0.230 19444
1646 1 7 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.700 -0.445 19444
1647 1 7 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.575 -0.071 19444
1648 1 7 . 1 1 82 82 LEU H H 82 7.589 7.589 8.357 -0.768 19444
1649 1 7 . 1 1 83 83 ILE N N 83 121.181 121.181 119.443 1.738 19444
1650 1 7 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.681 0.093 19444
1651 1 7 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.759 0.072 19444
1652 1 7 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.956 0.632 19444
1653 1 7 . 1 1 83 83 ILE H H 83 8.755 8.755 8.269 0.486 19444
1654 1 7 . 1 1 84 84 PHE N N 84 123.192 123.192 120.547 2.645 19444
1655 1 7 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.075 0.087 19444
1656 1 7 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.728 -0.073 19444
1657 1 7 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.191 -0.127 19444
1658 1 7 . 1 1 84 84 PHE H H 84 8.683 8.683 8.634 0.049 19444
1659 1 7 . 1 1 85 85 ASN N N 85 118.056 118.056 117.639 0.417 19444
1660 1 7 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.417 0.048 19444
1661 1 7 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.119 0.028 19444
1662 1 7 . 1 1 85 85 ASN CB C 85 37.903 37.903 37.814 0.089 19444
1663 1 7 . 1 1 85 85 ASN H H 85 8.892 8.892 8.741 0.151 19444
1664 1 7 . 1 1 86 86 ASP N N 86 120.374 120.374 121.987 -1.613 19444
1665 1 7 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.440 0.012 19444
1666 1 7 . 1 1 86 86 ASP CA C 86 57.297 57.297 58.031 -0.734 19444
1667 1 7 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.986 1.281 19444
1668 1 7 . 1 1 86 86 ASP H H 86 8.146 8.146 8.534 -0.388 19444
1669 1 7 . 1 1 87 87 TRP N N 87 121.401 121.401 121.900 -0.499 19444
1670 1 7 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.119 -0.162 19444
1671 1 7 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.671 0.116 19444
1672 1 7 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.477 -1.532 19444
1673 1 7 . 1 1 87 87 TRP H H 87 8.121 8.121 8.511 -0.390 19444
1674 1 7 . 1 1 88 88 GLU N N 88 117.779 117.779 118.573 -0.794 19444
1675 1 7 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.015 -0.069 19444
1676 1 7 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.472 0.198 19444
1677 1 7 . 1 1 88 88 GLU CB C 88 29.540 29.540 29.118 0.422 19444
1678 1 7 . 1 1 88 88 GLU H H 88 8.613 8.613 8.416 0.197 19444
1679 1 7 . 1 1 89 89 GLU N N 89 116.209 116.209 119.687 -3.478 19444
1680 1 7 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.895 0.106 19444
1681 1 7 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.471 -0.981 19444
1682 1 7 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.526 0.362 19444
1683 1 7 . 1 1 89 89 GLU H H 89 7.456 7.456 8.007 -0.551 19444
1684 1 7 . 1 1 90 90 ARG N N 90 119.957 119.957 118.205 1.752 19444
1685 1 7 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.945 0.008 19444
1686 1 7 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.900 -0.323 19444
1687 1 7 . 1 1 90 90 ARG CB C 90 31.731 31.731 30.176 1.555 19444
1688 1 7 . 1 1 90 90 ARG H H 90 8.134 8.134 8.040 0.094 19444
1689 1 7 . 1 1 91 91 LYS N N 91 118.871 118.871 120.405 -1.534 19444
1690 1 7 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.061 -0.389 19444
1691 1 7 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.461 -0.751 19444
1692 1 7 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.724 -1.220 19444
1693 1 7 . 1 1 91 91 LYS H H 91 8.325 8.325 8.039 0.286 19444
1694 1 7 . 1 1 92 92 ARG N N 92 117.453 117.453 118.565 -1.112 19444
1695 1 7 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.977 -0.102 19444
1696 1 7 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.106 0.775 19444
1697 1 7 . 1 1 92 92 ARG CB C 92 29.785 29.785 29.625 0.160 19444
1698 1 7 . 1 1 92 92 ARG H H 92 7.069 7.069 7.936 -0.867 19444
1699 1 7 . 1 1 93 93 SER N N 93 110.842 110.842 114.205 -3.363 19444
1700 1 7 . 1 1 93 93 SER HA H 93 4.513 4.513 4.248 0.265 19444
1701 1 7 . 1 1 93 93 SER CA C 93 58.762 58.762 60.483 -1.722 19444
1702 1 7 . 1 1 93 93 SER CB C 93 64.164 64.164 63.935 0.229 19444
1703 1 7 . 1 1 93 93 SER H H 93 7.427 7.427 7.624 -0.197 19444
1704 1 7 . 1 1 94 94 GLU N N 94 121.732 121.732 118.719 3.013 19444
1705 1 7 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.071 -0.394 19444
1706 1 7 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.859 0.027 19444
1707 1 7 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.500 -0.446 19444
1708 1 7 . 1 1 94 94 GLU H H 94 7.629 7.629 7.759 -0.130 19444
1709 1 7 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.366 -0.058 19444
1710 1 7 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.257 0.374 19444
1711 1 7 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.841 -0.357 19444
1712 1 7 . 1 1 96 96 TRP N N 96 115.321 115.321 115.959 -0.638 19444
1713 1 7 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.761 -0.106 19444
1714 1 7 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.684 2.083 19444
1715 1 7 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.479 -0.463 19444
1716 1 7 . 1 1 96 96 TRP H H 96 6.840 6.840 6.860 -0.020 19444
1717 1 7 . 1 1 97 97 LEU N N 97 125.159 125.159 123.444 1.715 19444
1718 1 7 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.476 -0.299 19444
1719 1 7 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.649 1.450 19444
1720 1 7 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.385 0.843 19444
1721 1 7 . 1 1 97 97 LEU H H 97 7.287 7.287 7.155 0.132 19444
1722 1 7 . 1 1 98 98 ARG N N 98 128.515 128.515 127.818 0.697 19444
1723 1 7 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.527 0.061 19444
1724 1 7 . 1 1 98 98 ARG CA C 98 55.090 55.090 56.287 -1.197 19444
1725 1 7 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.189 0.147 19444
1726 1 7 . 1 1 98 98 ARG H H 98 8.898 8.898 8.574 0.324 19444
1727 1 7 . 1 1 99 99 LEU N N 99 127.834 127.834 123.112 4.722 19444
1728 1 7 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.273 -0.677 19444
1729 1 7 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.066 0.512 19444
1730 1 7 . 1 1 99 99 LEU CB C 99 40.174 40.174 41.838 -1.664 19444
1731 1 7 . 1 1 99 99 LEU H H 99 8.362 8.362 8.372 -0.010 19444
1732 1 7 . 1 1 100 100 ASP N N 100 127.038 127.038 128.600 -1.562 19444
1733 1 7 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.951 -0.239 19444
1734 1 7 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.047 -1.033 19444
1735 1 7 . 1 1 100 100 ASP CB C 100 41.398 41.398 41.931 -0.533 19444
1736 1 7 . 1 1 100 100 ASP H H 100 7.998 7.998 8.700 -0.702 19444
1737 1 7 . 1 1 101 101 MET N N 101 122.551 122.551 117.870 4.681 19444
1738 1 7 . 1 1 101 101 MET HA H 101 4.533 4.533 4.725 -0.192 19444
1739 1 7 . 1 1 101 101 MET CA C 101 53.583 53.583 54.792 -1.209 19444
1740 1 7 . 1 1 101 101 MET CB C 101 33.400 33.400 33.468 -0.068 19444
1741 1 7 . 1 1 101 101 MET H H 101 8.761 8.761 8.264 0.497 19444
1742 1 7 . 1 1 102 102 SER N N 102 116.261 116.261 117.129 -0.868 19444
1743 1 7 . 1 1 102 102 SER HA H 102 4.191 4.191 4.254 -0.063 19444
1744 1 7 . 1 1 102 102 SER CA C 102 58.655 58.655 57.719 0.936 19444
1745 1 7 . 1 1 102 102 SER CB C 102 64.764 64.764 64.886 -0.122 19444
1746 1 7 . 1 1 102 102 SER H H 102 8.212 8.212 8.114 0.098 19444
1747 1 7 . 1 1 103 103 ASP N N 103 121.700 121.700 122.272 -0.572 19444
1748 1 7 . 1 1 103 103 ASP HA H 103 3.813 3.813 3.897 -0.084 19444
1749 1 7 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.319 0.149 19444
1750 1 7 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.156 -1.372 19444
1751 1 7 . 1 1 103 103 ASP H H 103 8.791 8.791 8.787 0.004 19444
1752 1 7 . 1 1 104 104 LYS N N 104 116.308 116.308 120.866 -4.558 19444
1753 1 7 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.212 -0.431 19444
1754 1 7 . 1 1 104 104 LYS CA C 104 59.839 59.839 59.031 0.808 19444
1755 1 7 . 1 1 104 104 LYS CB C 104 32.172 32.172 32.195 -0.023 19444
1756 1 7 . 1 1 104 104 LYS H H 104 7.886 7.886 8.005 -0.119 19444
1757 1 7 . 1 1 105 105 ALA N N 105 122.364 122.364 122.052 0.312 19444
1758 1 7 . 1 1 105 105 ALA HA H 105 3.960 3.960 3.803 0.157 19444
1759 1 7 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.764 0.274 19444
1760 1 7 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.131 -0.190 19444
1761 1 7 . 1 1 105 105 ALA H H 105 7.343 7.343 7.700 -0.357 19444
1762 1 7 . 1 1 106 106 ILE N N 106 119.713 119.713 119.426 0.287 19444
1763 1 7 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.565 -0.087 19444
1764 1 7 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.500 0.698 19444
1765 1 7 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.610 -0.087 19444
1766 1 7 . 1 1 106 106 ILE H H 106 8.124 8.124 8.209 -0.085 19444
1767 1 7 . 1 1 107 107 PHE N N 107 117.557 117.557 118.710 -1.153 19444
1768 1 7 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.557 -0.111 19444
1769 1 7 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.470 -2.543 19444
1770 1 7 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.977 -0.713 19444
1771 1 7 . 1 1 107 107 PHE H H 107 8.448 8.448 8.035 0.413 19444
1772 1 7 . 1 1 108 108 ARG N N 108 117.407 117.407 118.630 -1.223 19444
1773 1 7 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.180 -0.097 19444
1774 1 7 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.002 0.627 19444
1775 1 7 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.774 0.686 19444
1776 1 7 . 1 1 108 108 ARG H H 108 7.568 7.568 8.183 -0.615 19444
1777 1 7 . 1 1 109 109 ARG N N 109 117.561 117.561 117.323 0.238 19444
1778 1 7 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.035 -0.037 19444
1779 1 7 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.479 -0.924 19444
1780 1 7 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.143 0.444 19444
1781 1 7 . 1 1 109 109 ARG H H 109 7.281 7.281 7.964 -0.683 19444
1782 1 7 . 1 1 110 110 TYR N N 110 116.115 116.115 116.675 -0.560 19444
1783 1 7 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.057 0.271 19444
1784 1 7 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.255 -0.754 19444
1785 1 7 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.494 -1.005 19444
1786 1 7 . 1 1 110 110 TYR H H 110 8.877 8.877 8.096 0.781 19444
1787 1 7 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.613 -0.134 19444
1788 1 7 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.411 0.382 19444
1789 1 7 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.188 -0.517 19444
1790 1 7 . 1 1 112 112 HIS N N 112 116.277 116.277 114.864 1.413 19444
1791 1 7 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.456 -0.024 19444
1792 1 7 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.052 1.422 19444
1793 1 7 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.669 1.152 19444
1794 1 7 . 1 1 112 112 HIS H H 112 8.300 8.300 8.482 -0.182 19444
1795 1 7 . 1 1 113 113 LEU N N 113 120.770 120.770 119.811 0.959 19444
1796 1 7 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.087 0.014 19444
1797 1 7 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.466 -1.263 19444
1798 1 7 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.433 1.444 19444
1799 1 7 . 1 1 113 113 LEU H H 113 7.518 7.518 7.170 0.348 19444
1800 1 8 . 1 1 59 59 ALA N N 59 123.352 123.352 121.614 1.738 19444
1801 1 8 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.046 0.238 19444
1802 1 8 . 1 1 59 59 ALA CA C 59 52.296 52.296 52.422 -0.126 19444
1803 1 8 . 1 1 59 59 ALA CB C 59 19.633 19.633 19.218 0.415 19444
1804 1 8 . 1 1 59 59 ALA H H 59 7.997 7.997 8.104 -0.107 19444
1805 1 8 . 1 1 60 60 LEU N N 60 120.985 120.985 121.497 -0.512 19444
1806 1 8 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.575 -0.122 19444
1807 1 8 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.552 -0.265 19444
1808 1 8 . 1 1 60 60 LEU CB C 60 43.255 43.255 44.035 -0.780 19444
1809 1 8 . 1 1 60 60 LEU H H 60 8.169 8.169 8.196 -0.027 19444
1810 1 8 . 1 1 61 61 ALA N N 61 125.303 125.303 128.366 -3.063 19444
1811 1 8 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.581 -0.084 19444
1812 1 8 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.756 0.471 19444
1813 1 8 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.096 0.080 19444
1814 1 8 . 1 1 61 61 ALA H H 61 8.445 8.445 8.244 0.201 19444
1815 1 8 . 1 1 62 62 ALA N N 62 127.804 127.804 127.320 0.484 19444
1816 1 8 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.603 -0.287 19444
1817 1 8 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.351 0.658 19444
1818 1 8 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.833 -0.848 19444
1819 1 8 . 1 1 62 62 ALA H H 62 8.583 8.583 9.073 -0.490 19444
1820 1 8 . 1 1 63 63 LEU N N 63 120.096 120.096 121.984 -1.888 19444
1821 1 8 . 1 1 63 63 LEU HA H 63 4.884 4.884 5.008 -0.124 19444
1822 1 8 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.818 -0.926 19444
1823 1 8 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.224 -1.092 19444
1824 1 8 . 1 1 63 63 LEU H H 63 8.077 8.077 8.286 -0.209 19444
1825 1 8 . 1 1 64 64 HIS N N 64 122.245 122.245 119.020 3.225 19444
1826 1 8 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.585 -0.345 19444
1827 1 8 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.126 0.900 19444
1828 1 8 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.478 -0.140 19444
1829 1 8 . 1 1 64 64 HIS H H 64 8.629 8.629 8.751 -0.122 19444
1830 1 8 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.313 0.037 19444
1831 1 8 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.089 0.260 19444
1832 1 8 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.727 -0.009 19444
1833 1 8 . 1 1 66 66 ASP N N 66 115.211 115.211 115.165 0.046 19444
1834 1 8 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.735 -0.046 19444
1835 1 8 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.273 -0.751 19444
1836 1 8 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.805 -0.054 19444
1837 1 8 . 1 1 66 66 ASP H H 66 7.869 7.869 7.795 0.074 19444
1838 1 8 . 1 1 67 67 GLY N N 67 105.349 105.349 109.722 -4.373 19444
1839 1 8 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.030 0.236 19444
1840 1 8 . 1 1 67 67 GLY H H 67 8.441 8.441 8.369 0.072 19444
1841 1 8 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.244 -0.125 19444
1842 1 8 . 1 1 68 68 PRO CA C 68 64.204 64.204 64.995 -0.791 19444
1843 1 8 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.603 -0.082 19444
1844 1 8 . 1 1 69 69 HIS N N 69 116.893 116.893 115.340 1.553 19444
1845 1 8 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.716 -0.031 19444
1846 1 8 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.649 0.337 19444
1847 1 8 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.333 0.144 19444
1848 1 8 . 1 1 69 69 HIS H H 69 8.503 8.503 8.121 0.382 19444
1849 1 8 . 1 1 70 70 ALA N N 70 120.705 120.705 121.983 -1.278 19444
1850 1 8 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.094 -0.527 19444
1851 1 8 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.703 0.076 19444
1852 1 8 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.301 -0.101 19444
1853 1 8 . 1 1 70 70 ALA H H 70 6.892 6.892 7.482 -0.590 19444
1854 1 8 . 1 1 71 71 GLY N N 71 109.407 109.407 113.781 -4.374 19444
1855 1 8 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.003 0.343 19444
1856 1 8 . 1 1 71 71 GLY H H 71 9.144 9.144 9.013 0.131 19444
1857 1 8 . 1 1 72 72 LEU N N 72 119.969 119.969 121.857 -1.888 19444
1858 1 8 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.750 0.110 19444
1859 1 8 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.594 -0.518 19444
1860 1 8 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.661 -0.197 19444
1861 1 8 . 1 1 72 72 LEU H H 72 8.255 8.255 8.090 0.165 19444
1862 1 8 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.625 0.213 19444
1863 1 8 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.817 -1.307 19444
1864 1 8 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.119 -0.712 19444
1865 1 8 . 1 1 74 74 VAL N N 74 121.438 121.438 120.599 0.839 19444
1866 1 8 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.836 -0.347 19444
1867 1 8 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.208 1.445 19444
1868 1 8 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.085 -0.762 19444
1869 1 8 . 1 1 74 74 VAL H H 74 7.729 7.729 8.390 -0.661 19444
1870 1 8 . 1 1 75 75 THR N N 75 108.826 108.826 109.665 -0.839 19444
1871 1 8 . 1 1 75 75 THR HA H 75 5.015 5.015 4.579 0.436 19444
1872 1 8 . 1 1 75 75 THR CA C 75 59.822 59.822 59.205 0.617 19444
1873 1 8 . 1 1 75 75 THR CB C 75 74.087 74.087 71.807 2.280 19444
1874 1 8 . 1 1 75 75 THR H H 75 8.763 8.763 8.093 0.670 19444
1875 1 8 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.698 0.232 19444
1876 1 8 . 1 1 77 77 SER N N 77 114.493 114.493 114.378 0.115 19444
1877 1 8 . 1 1 77 77 SER HA H 77 4.133 4.133 4.084 0.049 19444
1878 1 8 . 1 1 77 77 SER CA C 77 60.600 60.600 61.657 -1.057 19444
1879 1 8 . 1 1 77 77 SER CB C 77 62.378 62.378 62.816 -0.439 19444
1880 1 8 . 1 1 77 77 SER H H 77 8.231 8.231 8.299 -0.068 19444
1881 1 8 . 1 1 78 78 ASP N N 78 120.698 120.698 122.624 -1.926 19444
1882 1 8 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.313 0.095 19444
1883 1 8 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.371 0.708 19444
1884 1 8 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.385 2.949 19444
1885 1 8 . 1 1 78 78 ASP H H 78 7.388 7.388 8.012 -0.624 19444
1886 1 8 . 1 1 79 79 ALA N N 79 120.570 120.570 122.635 -2.065 19444
1887 1 8 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.776 -0.052 19444
1888 1 8 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.097 -0.196 19444
1889 1 8 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.133 1.613 19444
1890 1 8 . 1 1 79 79 ALA H H 79 7.873 7.873 8.291 -0.418 19444
1891 1 8 . 1 1 80 80 ARG N N 80 116.347 116.347 119.079 -2.732 19444
1892 1 8 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.021 -0.213 19444
1893 1 8 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.441 2.126 19444
1894 1 8 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.340 0.091 19444
1895 1 8 . 1 1 80 80 ARG H H 80 8.117 8.117 7.959 0.158 19444
1896 1 8 . 1 1 81 81 VAL N N 81 119.158 119.158 119.980 -0.822 19444
1897 1 8 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.873 -0.205 19444
1898 1 8 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.682 0.231 19444
1899 1 8 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.663 0.109 19444
1900 1 8 . 1 1 81 81 VAL H H 81 7.373 7.373 8.087 -0.714 19444
1901 1 8 . 1 1 82 82 LEU N N 82 118.515 118.515 122.215 -3.700 19444
1902 1 8 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.891 0.221 19444
1903 1 8 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.718 -0.462 19444
1904 1 8 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.925 -0.421 19444
1905 1 8 . 1 1 82 82 LEU H H 82 7.589 7.589 8.360 -0.771 19444
1906 1 8 . 1 1 83 83 ILE N N 83 121.181 121.181 119.485 1.696 19444
1907 1 8 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.676 0.098 19444
1908 1 8 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.806 0.025 19444
1909 1 8 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.999 0.589 19444
1910 1 8 . 1 1 83 83 ILE H H 83 8.755 8.755 8.248 0.507 19444
1911 1 8 . 1 1 84 84 PHE N N 84 123.192 123.192 120.143 3.049 19444
1912 1 8 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.119 0.043 19444
1913 1 8 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.422 0.234 19444
1914 1 8 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.156 -0.092 19444
1915 1 8 . 1 1 84 84 PHE H H 84 8.683 8.683 8.556 0.127 19444
1916 1 8 . 1 1 85 85 ASN N N 85 118.056 118.056 118.458 -0.402 19444
1917 1 8 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.319 0.146 19444
1918 1 8 . 1 1 85 85 ASN CA C 85 56.147 56.147 57.292 -1.145 19444
1919 1 8 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.313 -0.410 19444
1920 1 8 . 1 1 85 85 ASN H H 85 8.892 8.892 8.560 0.332 19444
1921 1 8 . 1 1 86 86 ASP N N 86 120.374 120.374 121.555 -1.181 19444
1922 1 8 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.372 0.080 19444
1923 1 8 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.769 -0.471 19444
1924 1 8 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.970 1.297 19444
1925 1 8 . 1 1 86 86 ASP H H 86 8.146 8.146 8.367 -0.221 19444
1926 1 8 . 1 1 87 87 TRP N N 87 121.401 121.401 121.617 -0.216 19444
1927 1 8 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.088 -0.131 19444
1928 1 8 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.750 0.037 19444
1929 1 8 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.441 -1.495 19444
1930 1 8 . 1 1 87 87 TRP H H 87 8.121 8.121 8.631 -0.510 19444
1931 1 8 . 1 1 88 88 GLU N N 88 117.779 117.779 118.431 -0.652 19444
1932 1 8 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.019 -0.073 19444
1933 1 8 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.802 -0.132 19444
1934 1 8 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.807 0.733 19444
1935 1 8 . 1 1 88 88 GLU H H 88 8.613 8.613 8.452 0.161 19444
1936 1 8 . 1 1 89 89 GLU N N 89 116.209 116.209 119.553 -3.344 19444
1937 1 8 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.891 0.110 19444
1938 1 8 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.232 -0.742 19444
1939 1 8 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.376 0.512 19444
1940 1 8 . 1 1 89 89 GLU H H 89 7.456 7.456 7.850 -0.394 19444
1941 1 8 . 1 1 90 90 ARG N N 90 119.957 119.957 117.662 2.295 19444
1942 1 8 . 1 1 90 90 ARG HA H 90 3.953 3.953 4.036 -0.083 19444
1943 1 8 . 1 1 90 90 ARG CA C 90 58.577 58.577 57.805 0.772 19444
1944 1 8 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.729 2.002 19444
1945 1 8 . 1 1 90 90 ARG H H 90 8.134 8.134 8.380 -0.246 19444
1946 1 8 . 1 1 91 91 LYS N N 91 118.871 118.871 120.852 -1.981 19444
1947 1 8 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.098 -0.426 19444
1948 1 8 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.498 -0.788 19444
1949 1 8 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.750 -1.245 19444
1950 1 8 . 1 1 91 91 LYS H H 91 8.325 8.325 8.005 0.320 19444
1951 1 8 . 1 1 92 92 ARG N N 92 117.453 117.453 118.507 -1.054 19444
1952 1 8 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.900 -0.025 19444
1953 1 8 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.444 0.437 19444
1954 1 8 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.163 -0.378 19444
1955 1 8 . 1 1 92 92 ARG H H 92 7.069 7.069 8.140 -1.071 19444
1956 1 8 . 1 1 93 93 SER N N 93 110.842 110.842 113.407 -2.565 19444
1957 1 8 . 1 1 93 93 SER HA H 93 4.513 4.513 4.297 0.216 19444
1958 1 8 . 1 1 93 93 SER CA C 93 58.762 58.762 59.351 -0.589 19444
1959 1 8 . 1 1 93 93 SER CB C 93 64.164 64.164 64.258 -0.094 19444
1960 1 8 . 1 1 93 93 SER H H 93 7.427 7.427 7.819 -0.392 19444
1961 1 8 . 1 1 94 94 GLU N N 94 121.732 121.732 121.383 0.349 19444
1962 1 8 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.163 -0.486 19444
1963 1 8 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.428 0.458 19444
1964 1 8 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.360 -0.306 19444
1965 1 8 . 1 1 94 94 GLU H H 94 7.629 7.629 7.813 -0.184 19444
1966 1 8 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.447 -0.139 19444
1967 1 8 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.290 0.341 19444
1968 1 8 . 1 1 95 95 PRO CB C 95 31.484 31.484 32.146 -0.662 19444
1969 1 8 . 1 1 96 96 TRP N N 96 115.321 115.321 115.227 0.094 19444
1970 1 8 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.674 -0.019 19444
1971 1 8 . 1 1 96 96 TRP CA C 96 56.766 56.766 55.701 1.065 19444
1972 1 8 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.099 -0.083 19444
1973 1 8 . 1 1 96 96 TRP H H 96 6.840 6.840 6.956 -0.116 19444
1974 1 8 . 1 1 97 97 LEU N N 97 125.159 125.159 123.678 1.481 19444
1975 1 8 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.363 -0.186 19444
1976 1 8 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.867 1.232 19444
1977 1 8 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.474 0.754 19444
1978 1 8 . 1 1 97 97 LEU H H 97 7.287 7.287 7.085 0.202 19444
1979 1 8 . 1 1 98 98 ARG N N 98 128.515 128.515 127.127 1.388 19444
1980 1 8 . 1 1 98 98 ARG HA H 98 4.588 4.588 3.566 1.022 19444
1981 1 8 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.281 -0.191 19444
1982 1 8 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.267 0.069 19444
1983 1 8 . 1 1 98 98 ARG H H 98 8.898 8.898 8.571 0.327 19444
1984 1 8 . 1 1 99 99 LEU N N 99 127.834 127.834 125.264 2.570 19444
1985 1 8 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.197 -0.601 19444
1986 1 8 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.146 0.432 19444
1987 1 8 . 1 1 99 99 LEU CB C 99 40.174 40.174 41.897 -1.723 19444
1988 1 8 . 1 1 99 99 LEU H H 99 8.362 8.362 7.644 0.718 19444
1989 1 8 . 1 1 100 100 ASP N N 100 127.038 127.038 128.707 -1.669 19444
1990 1 8 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.861 -0.149 19444
1991 1 8 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.138 -1.124 19444
1992 1 8 . 1 1 100 100 ASP CB C 100 41.398 41.398 42.784 -1.386 19444
1993 1 8 . 1 1 100 100 ASP H H 100 7.998 7.998 8.426 -0.428 19444
1994 1 8 . 1 1 101 101 MET N N 101 122.551 122.551 120.928 1.623 19444
1995 1 8 . 1 1 101 101 MET HA H 101 4.533 4.533 4.608 -0.075 19444
1996 1 8 . 1 1 101 101 MET CA C 101 53.583 53.583 54.862 -1.279 19444
1997 1 8 . 1 1 101 101 MET CB C 101 33.400 33.400 33.581 -0.181 19444
1998 1 8 . 1 1 101 101 MET H H 101 8.761 8.761 8.099 0.662 19444
1999 1 8 . 1 1 102 102 SER N N 102 116.261 116.261 116.844 -0.583 19444
2000 1 8 . 1 1 102 102 SER HA H 102 4.191 4.191 4.404 -0.213 19444
2001 1 8 . 1 1 102 102 SER CA C 102 58.655 58.655 57.639 1.016 19444
2002 1 8 . 1 1 102 102 SER CB C 102 64.764 64.764 64.996 -0.232 19444
2003 1 8 . 1 1 102 102 SER H H 102 8.212 8.212 7.972 0.240 19444
2004 1 8 . 1 1 103 103 ASP N N 103 121.700 121.700 123.566 -1.866 19444
2005 1 8 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.174 -0.361 19444
2006 1 8 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.175 0.293 19444
2007 1 8 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.514 -1.730 19444
2008 1 8 . 1 1 103 103 ASP H H 103 8.791 8.791 8.866 -0.075 19444
2009 1 8 . 1 1 104 104 LYS N N 104 116.308 116.308 119.533 -3.225 19444
2010 1 8 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.296 -0.515 19444
2011 1 8 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.918 0.921 19444
2012 1 8 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.977 0.195 19444
2013 1 8 . 1 1 104 104 LYS H H 104 7.886 7.886 7.998 -0.112 19444
2014 1 8 . 1 1 105 105 ALA N N 105 122.364 122.364 122.824 -0.460 19444
2015 1 8 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.141 -0.181 19444
2016 1 8 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.926 0.112 19444
2017 1 8 . 1 1 105 105 ALA CB C 105 17.941 17.941 17.979 -0.038 19444
2018 1 8 . 1 1 105 105 ALA H H 105 7.343 7.343 7.616 -0.273 19444
2019 1 8 . 1 1 106 106 ILE N N 106 119.713 119.713 119.446 0.267 19444
2020 1 8 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.747 -0.269 19444
2021 1 8 . 1 1 106 106 ILE CA C 106 66.198 66.198 63.459 2.740 19444
2022 1 8 . 1 1 106 106 ILE CB C 106 37.523 37.523 36.239 1.284 19444
2023 1 8 . 1 1 106 106 ILE H H 106 8.124 8.124 8.010 0.114 19444
2024 1 8 . 1 1 107 107 PHE N N 107 117.557 117.557 118.600 -1.043 19444
2025 1 8 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.619 -0.173 19444
2026 1 8 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.930 -3.003 19444
2027 1 8 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.909 -0.645 19444
2028 1 8 . 1 1 107 107 PHE H H 107 8.448 8.448 8.038 0.410 19444
2029 1 8 . 1 1 108 108 ARG N N 108 117.407 117.407 118.543 -1.136 19444
2030 1 8 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.247 -0.164 19444
2031 1 8 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.129 0.500 19444
2032 1 8 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.936 0.524 19444
2033 1 8 . 1 1 108 108 ARG H H 108 7.568 7.568 8.430 -0.862 19444
2034 1 8 . 1 1 109 109 ARG N N 109 117.561 117.561 118.370 -0.809 19444
2035 1 8 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.127 -0.129 19444
2036 1 8 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.278 -0.723 19444
2037 1 8 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.528 0.059 19444
2038 1 8 . 1 1 109 109 ARG H H 109 7.281 7.281 7.846 -0.565 19444
2039 1 8 . 1 1 110 110 TYR N N 110 116.115 116.115 117.485 -1.370 19444
2040 1 8 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.105 0.223 19444
2041 1 8 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.024 -0.522 19444
2042 1 8 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.529 -1.040 19444
2043 1 8 . 1 1 110 110 TYR H H 110 8.877 8.877 8.344 0.533 19444
2044 1 8 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.690 -0.211 19444
2045 1 8 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.275 0.518 19444
2046 1 8 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.206 -0.535 19444
2047 1 8 . 1 1 112 112 HIS N N 112 116.277 116.277 116.881 -0.604 19444
2048 1 8 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.539 -0.107 19444
2049 1 8 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.474 1.000 19444
2050 1 8 . 1 1 112 112 HIS CB C 112 28.821 28.821 28.085 0.736 19444
2051 1 8 . 1 1 112 112 HIS H H 112 8.300 8.300 8.530 -0.230 19444
2052 1 8 . 1 1 113 113 LEU N N 113 120.770 120.770 119.884 0.886 19444
2053 1 8 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.172 -0.071 19444
2054 1 8 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.342 -1.139 19444
2055 1 8 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.658 1.219 19444
2056 1 8 . 1 1 113 113 LEU H H 113 7.518 7.518 7.165 0.353 19444
2057 1 9 . 1 1 59 59 ALA N N 59 123.352 123.352 125.356 -2.004 19444
2058 1 9 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.549 -0.265 19444
2059 1 9 . 1 1 59 59 ALA CA C 59 52.296 52.296 52.073 0.223 19444
2060 1 9 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.765 -1.131 19444
2061 1 9 . 1 1 59 59 ALA H H 59 7.997 7.997 8.365 -0.368 19444
2062 1 9 . 1 1 60 60 LEU N N 60 120.985 120.985 121.276 -0.291 19444
2063 1 9 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.449 0.004 19444
2064 1 9 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.438 -0.151 19444
2065 1 9 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.357 -0.102 19444
2066 1 9 . 1 1 60 60 LEU H H 60 8.169 8.169 8.262 -0.093 19444
2067 1 9 . 1 1 61 61 ALA N N 61 125.303 125.303 125.793 -0.490 19444
2068 1 9 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.497 -0.000 19444
2069 1 9 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.908 0.319 19444
2070 1 9 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.194 -0.018 19444
2071 1 9 . 1 1 61 61 ALA H H 61 8.445 8.445 8.205 0.240 19444
2072 1 9 . 1 1 62 62 ALA N N 62 127.804 127.804 126.670 1.134 19444
2073 1 9 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.642 -0.326 19444
2074 1 9 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.277 0.732 19444
2075 1 9 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.811 -0.827 19444
2076 1 9 . 1 1 62 62 ALA H H 62 8.583 8.583 9.058 -0.475 19444
2077 1 9 . 1 1 63 63 LEU N N 63 120.096 120.096 122.114 -2.018 19444
2078 1 9 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.985 -0.101 19444
2079 1 9 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.799 -0.907 19444
2080 1 9 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.192 -1.060 19444
2081 1 9 . 1 1 63 63 LEU H H 63 8.077 8.077 8.318 -0.241 19444
2082 1 9 . 1 1 64 64 HIS N N 64 122.245 122.245 119.006 3.239 19444
2083 1 9 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.584 -0.344 19444
2084 1 9 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.100 0.926 19444
2085 1 9 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.394 -0.056 19444
2086 1 9 . 1 1 64 64 HIS H H 64 8.629 8.629 8.701 -0.072 19444
2087 1 9 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.294 0.056 19444
2088 1 9 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.191 0.157 19444
2089 1 9 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.683 0.035 19444
2090 1 9 . 1 1 66 66 ASP N N 66 115.211 115.211 114.990 0.221 19444
2091 1 9 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.732 -0.043 19444
2092 1 9 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.257 -0.735 19444
2093 1 9 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.806 -0.055 19444
2094 1 9 . 1 1 66 66 ASP H H 66 7.869 7.869 7.794 0.075 19444
2095 1 9 . 1 1 67 67 GLY N N 67 105.349 105.349 109.718 -4.369 19444
2096 1 9 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.032 0.233 19444
2097 1 9 . 1 1 67 67 GLY H H 67 8.441 8.441 8.371 0.070 19444
2098 1 9 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.252 -0.133 19444
2099 1 9 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.002 -0.798 19444
2100 1 9 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.620 -0.099 19444
2101 1 9 . 1 1 69 69 HIS N N 69 116.893 116.893 115.415 1.478 19444
2102 1 9 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.731 -0.046 19444
2103 1 9 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.617 0.369 19444
2104 1 9 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.299 0.178 19444
2105 1 9 . 1 1 69 69 HIS H H 69 8.503 8.503 8.159 0.344 19444
2106 1 9 . 1 1 70 70 ALA N N 70 120.705 120.705 121.998 -1.293 19444
2107 1 9 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.105 -0.538 19444
2108 1 9 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.695 0.084 19444
2109 1 9 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.290 -0.090 19444
2110 1 9 . 1 1 70 70 ALA H H 70 6.892 6.892 7.492 -0.600 19444
2111 1 9 . 1 1 71 71 GLY N N 71 109.407 109.407 112.560 -3.153 19444
2112 1 9 . 1 1 71 71 GLY CA C 71 45.346 45.346 44.998 0.348 19444
2113 1 9 . 1 1 71 71 GLY H H 71 9.144 9.144 8.988 0.156 19444
2114 1 9 . 1 1 72 72 LEU N N 72 119.969 119.969 122.789 -2.820 19444
2115 1 9 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.685 0.175 19444
2116 1 9 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.119 -0.043 19444
2117 1 9 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.561 -0.097 19444
2118 1 9 . 1 1 72 72 LEU H H 72 8.255 8.255 8.217 0.038 19444
2119 1 9 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.645 0.193 19444
2120 1 9 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.766 -1.256 19444
2121 1 9 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.194 -0.787 19444
2122 1 9 . 1 1 74 74 VAL N N 74 121.438 121.438 120.421 1.017 19444
2123 1 9 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.909 -0.420 19444
2124 1 9 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.100 1.553 19444
2125 1 9 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.149 -0.826 19444
2126 1 9 . 1 1 74 74 VAL H H 74 7.729 7.729 8.314 -0.585 19444
2127 1 9 . 1 1 75 75 THR N N 75 108.826 108.826 109.942 -1.116 19444
2128 1 9 . 1 1 75 75 THR HA H 75 5.015 5.015 4.572 0.443 19444
2129 1 9 . 1 1 75 75 THR CA C 75 59.822 59.822 59.241 0.581 19444
2130 1 9 . 1 1 75 75 THR CB C 75 74.087 74.087 71.799 2.288 19444
2131 1 9 . 1 1 75 75 THR H H 75 8.763 8.763 8.093 0.670 19444
2132 1 9 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.685 0.245 19444
2133 1 9 . 1 1 77 77 SER N N 77 114.493 114.493 114.411 0.082 19444
2134 1 9 . 1 1 77 77 SER HA H 77 4.133 4.133 4.026 0.107 19444
2135 1 9 . 1 1 77 77 SER CA C 77 60.600 60.600 61.762 -1.162 19444
2136 1 9 . 1 1 77 77 SER CB C 77 62.378 62.378 62.835 -0.457 19444
2137 1 9 . 1 1 77 77 SER H H 77 8.231 8.231 8.343 -0.112 19444
2138 1 9 . 1 1 78 78 ASP N N 78 120.698 120.698 122.411 -1.713 19444
2139 1 9 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.301 0.107 19444
2140 1 9 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.358 0.721 19444
2141 1 9 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.369 2.965 19444
2142 1 9 . 1 1 78 78 ASP H H 78 7.388 7.388 7.983 -0.595 19444
2143 1 9 . 1 1 79 79 ALA N N 79 120.570 120.570 122.717 -2.147 19444
2144 1 9 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.807 -0.083 19444
2145 1 9 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.051 -0.150 19444
2146 1 9 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.129 1.617 19444
2147 1 9 . 1 1 79 79 ALA H H 79 7.873 7.873 8.287 -0.414 19444
2148 1 9 . 1 1 80 80 ARG N N 80 116.347 116.347 119.127 -2.780 19444
2149 1 9 . 1 1 80 80 ARG HA H 80 3.808 3.808 3.892 -0.084 19444
2150 1 9 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.419 2.148 19444
2151 1 9 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.221 0.210 19444
2152 1 9 . 1 1 80 80 ARG H H 80 8.117 8.117 8.077 0.040 19444
2153 1 9 . 1 1 81 81 VAL N N 81 119.158 119.158 119.989 -0.831 19444
2154 1 9 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.852 -0.184 19444
2155 1 9 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.710 0.202 19444
2156 1 9 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.733 0.039 19444
2157 1 9 . 1 1 81 81 VAL H H 81 7.373 7.373 8.067 -0.694 19444
2158 1 9 . 1 1 82 82 LEU N N 82 118.515 118.515 121.798 -3.283 19444
2159 1 9 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.847 0.265 19444
2160 1 9 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.684 -0.429 19444
2161 1 9 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.884 -0.380 19444
2162 1 9 . 1 1 82 82 LEU H H 82 7.589 7.589 8.352 -0.763 19444
2163 1 9 . 1 1 83 83 ILE N N 83 121.181 121.181 119.332 1.849 19444
2164 1 9 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.649 0.125 19444
2165 1 9 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.802 0.029 19444
2166 1 9 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.980 0.608 19444
2167 1 9 . 1 1 83 83 ILE H H 83 8.755 8.755 8.180 0.575 19444
2168 1 9 . 1 1 84 84 PHE N N 84 123.192 123.192 120.770 2.422 19444
2169 1 9 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.142 0.020 19444
2170 1 9 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.524 0.132 19444
2171 1 9 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.201 -0.137 19444
2172 1 9 . 1 1 84 84 PHE H H 84 8.683 8.683 8.744 -0.061 19444
2173 1 9 . 1 1 85 85 ASN N N 85 118.056 118.056 117.912 0.144 19444
2174 1 9 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.379 0.086 19444
2175 1 9 . 1 1 85 85 ASN CA C 85 56.147 56.147 55.990 0.157 19444
2176 1 9 . 1 1 85 85 ASN CB C 85 37.903 37.903 37.758 0.145 19444
2177 1 9 . 1 1 85 85 ASN H H 85 8.892 8.892 8.681 0.211 19444
2178 1 9 . 1 1 86 86 ASP N N 86 120.374 120.374 121.578 -1.204 19444
2179 1 9 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.393 0.059 19444
2180 1 9 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.720 -0.423 19444
2181 1 9 . 1 1 86 86 ASP CB C 86 42.267 42.267 41.049 1.218 19444
2182 1 9 . 1 1 86 86 ASP H H 86 8.146 8.146 8.312 -0.166 19444
2183 1 9 . 1 1 87 87 TRP N N 87 121.401 121.401 121.704 -0.303 19444
2184 1 9 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.128 -0.171 19444
2185 1 9 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.747 0.040 19444
2186 1 9 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.556 -1.610 19444
2187 1 9 . 1 1 87 87 TRP H H 87 8.121 8.121 8.549 -0.428 19444
2188 1 9 . 1 1 88 88 GLU N N 88 117.779 117.779 117.634 0.145 19444
2189 1 9 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.159 -0.213 19444
2190 1 9 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.680 -0.010 19444
2191 1 9 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.952 0.588 19444
2192 1 9 . 1 1 88 88 GLU H H 88 8.613 8.613 8.427 0.186 19444
2193 1 9 . 1 1 89 89 GLU N N 89 116.209 116.209 120.488 -4.279 19444
2194 1 9 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.960 0.041 19444
2195 1 9 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.034 -0.544 19444
2196 1 9 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.336 0.552 19444
2197 1 9 . 1 1 89 89 GLU H H 89 7.456 7.456 7.961 -0.505 19444
2198 1 9 . 1 1 90 90 ARG N N 90 119.957 119.957 118.709 1.248 19444
2199 1 9 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.965 -0.012 19444
2200 1 9 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.139 0.438 19444
2201 1 9 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.720 2.011 19444
2202 1 9 . 1 1 90 90 ARG H H 90 8.134 8.134 8.249 -0.115 19444
2203 1 9 . 1 1 91 91 LYS N N 91 118.871 118.871 119.940 -1.069 19444
2204 1 9 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.099 -0.427 19444
2205 1 9 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.145 -0.435 19444
2206 1 9 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.597 -1.092 19444
2207 1 9 . 1 1 91 91 LYS H H 91 8.325 8.325 8.172 0.153 19444
2208 1 9 . 1 1 92 92 ARG N N 92 117.453 117.453 118.831 -1.378 19444
2209 1 9 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.933 -0.058 19444
2210 1 9 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.466 0.415 19444
2211 1 9 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.095 -0.310 19444
2212 1 9 . 1 1 92 92 ARG H H 92 7.069 7.069 7.682 -0.613 19444
2213 1 9 . 1 1 93 93 SER N N 93 110.842 110.842 113.686 -2.844 19444
2214 1 9 . 1 1 93 93 SER HA H 93 4.513 4.513 4.216 0.297 19444
2215 1 9 . 1 1 93 93 SER CA C 93 58.762 58.762 60.399 -1.637 19444
2216 1 9 . 1 1 93 93 SER CB C 93 64.164 64.164 63.926 0.238 19444
2217 1 9 . 1 1 93 93 SER H H 93 7.427 7.427 7.693 -0.266 19444
2218 1 9 . 1 1 94 94 GLU N N 94 121.732 121.732 118.929 2.803 19444
2219 1 9 . 1 1 94 94 GLU HA H 94 3.677 3.677 3.996 -0.319 19444
2220 1 9 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.741 0.145 19444
2221 1 9 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.198 -0.144 19444
2222 1 9 . 1 1 94 94 GLU H H 94 7.629 7.629 7.748 -0.119 19444
2223 1 9 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.409 -0.101 19444
2224 1 9 . 1 1 95 95 PRO CA C 95 64.631 64.631 63.681 0.950 19444
2225 1 9 . 1 1 95 95 PRO CB C 95 31.484 31.484 32.076 -0.592 19444
2226 1 9 . 1 1 96 96 TRP N N 96 115.321 115.321 115.513 -0.192 19444
2227 1 9 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.704 -0.049 19444
2228 1 9 . 1 1 96 96 TRP CA C 96 56.766 56.766 55.131 1.635 19444
2229 1 9 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.264 -0.248 19444
2230 1 9 . 1 1 96 96 TRP H H 96 6.840 6.840 6.881 -0.041 19444
2231 1 9 . 1 1 97 97 LEU N N 97 125.159 125.159 122.876 2.283 19444
2232 1 9 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.340 -0.163 19444
2233 1 9 . 1 1 97 97 LEU CA C 97 56.099 56.099 55.257 0.842 19444
2234 1 9 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.568 0.660 19444
2235 1 9 . 1 1 97 97 LEU H H 97 7.287 7.287 7.172 0.115 19444
2236 1 9 . 1 1 98 98 ARG N N 98 128.515 128.515 123.892 4.623 19444
2237 1 9 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.704 -0.116 19444
2238 1 9 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.052 0.038 19444
2239 1 9 . 1 1 98 98 ARG CB C 98 31.336 31.336 32.761 -1.425 19444
2240 1 9 . 1 1 98 98 ARG H H 98 8.898 8.898 8.481 0.417 19444
2241 1 9 . 1 1 99 99 LEU N N 99 127.834 127.834 124.371 3.463 19444
2242 1 9 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.465 -0.869 19444
2243 1 9 . 1 1 99 99 LEU CA C 99 54.578 54.578 53.567 1.011 19444
2244 1 9 . 1 1 99 99 LEU CB C 99 40.174 40.174 44.214 -4.040 19444
2245 1 9 . 1 1 99 99 LEU H H 99 8.362 8.362 8.933 -0.571 19444
2246 1 9 . 1 1 100 100 ASP N N 100 127.038 127.038 128.499 -1.461 19444
2247 1 9 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.894 -0.182 19444
2248 1 9 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.089 -1.075 19444
2249 1 9 . 1 1 100 100 ASP CB C 100 41.398 41.398 41.944 -0.547 19444
2250 1 9 . 1 1 100 100 ASP H H 100 7.998 7.998 8.698 -0.701 19444
2251 1 9 . 1 1 101 101 MET N N 101 122.551 122.551 118.387 4.164 19444
2252 1 9 . 1 1 101 101 MET HA H 101 4.533 4.533 4.586 -0.053 19444
2253 1 9 . 1 1 101 101 MET CA C 101 53.583 53.583 54.436 -0.853 19444
2254 1 9 . 1 1 101 101 MET CB C 101 33.400 33.400 33.746 -0.346 19444
2255 1 9 . 1 1 101 101 MET H H 101 8.761 8.761 7.765 0.996 19444
2256 1 9 . 1 1 102 102 SER N N 102 116.261 116.261 116.017 0.244 19444
2257 1 9 . 1 1 102 102 SER HA H 102 4.191 4.191 4.316 -0.125 19444
2258 1 9 . 1 1 102 102 SER CA C 102 58.655 58.655 57.861 0.794 19444
2259 1 9 . 1 1 102 102 SER CB C 102 64.764 64.764 64.493 0.271 19444
2260 1 9 . 1 1 102 102 SER H H 102 8.212 8.212 7.687 0.525 19444
2261 1 9 . 1 1 103 103 ASP N N 103 121.700 121.700 121.230 0.470 19444
2262 1 9 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.092 -0.279 19444
2263 1 9 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.344 0.124 19444
2264 1 9 . 1 1 103 103 ASP CB C 103 38.784 38.784 39.996 -1.212 19444
2265 1 9 . 1 1 103 103 ASP H H 103 8.791 8.791 8.949 -0.158 19444
2266 1 9 . 1 1 104 104 LYS N N 104 116.308 116.308 119.847 -3.539 19444
2267 1 9 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.265 -0.484 19444
2268 1 9 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.705 1.135 19444
2269 1 9 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.881 0.291 19444
2270 1 9 . 1 1 104 104 LYS H H 104 7.886 7.886 8.244 -0.358 19444
2271 1 9 . 1 1 105 105 ALA N N 105 122.364 122.364 123.649 -1.285 19444
2272 1 9 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.273 -0.313 19444
2273 1 9 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.980 0.058 19444
2274 1 9 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.404 -0.463 19444
2275 1 9 . 1 1 105 105 ALA H H 105 7.343 7.343 7.793 -0.450 19444
2276 1 9 . 1 1 106 106 ILE N N 106 119.713 119.713 119.214 0.499 19444
2277 1 9 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.608 -0.130 19444
2278 1 9 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.705 0.493 19444
2279 1 9 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.717 -0.194 19444
2280 1 9 . 1 1 106 106 ILE H H 106 8.124 8.124 8.286 -0.162 19444
2281 1 9 . 1 1 107 107 PHE N N 107 117.557 117.557 118.944 -1.387 19444
2282 1 9 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.608 -0.162 19444
2283 1 9 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.695 -2.768 19444
2284 1 9 . 1 1 107 107 PHE CB C 107 37.264 37.264 38.061 -0.797 19444
2285 1 9 . 1 1 107 107 PHE H H 107 8.448 8.448 8.080 0.368 19444
2286 1 9 . 1 1 108 108 ARG N N 108 117.407 117.407 119.008 -1.601 19444
2287 1 9 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.153 -0.070 19444
2288 1 9 . 1 1 108 108 ARG CA C 108 58.629 58.629 59.043 -0.414 19444
2289 1 9 . 1 1 108 108 ARG CB C 108 30.460 30.460 30.266 0.194 19444
2290 1 9 . 1 1 108 108 ARG H H 108 7.568 7.568 8.466 -0.898 19444
2291 1 9 . 1 1 109 109 ARG N N 109 117.561 117.561 118.528 -0.967 19444
2292 1 9 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.114 -0.116 19444
2293 1 9 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.356 -0.801 19444
2294 1 9 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.453 0.134 19444
2295 1 9 . 1 1 109 109 ARG H H 109 7.281 7.281 7.855 -0.574 19444
2296 1 9 . 1 1 110 110 TYR N N 110 116.115 116.115 117.357 -1.242 19444
2297 1 9 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.105 0.223 19444
2298 1 9 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.034 -0.532 19444
2299 1 9 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.502 -1.012 19444
2300 1 9 . 1 1 110 110 TYR H H 110 8.877 8.877 8.302 0.575 19444
2301 1 9 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.616 -0.137 19444
2302 1 9 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.385 0.408 19444
2303 1 9 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.169 -0.498 19444
2304 1 9 . 1 1 112 112 HIS N N 112 116.277 116.277 115.058 1.219 19444
2305 1 9 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.455 -0.023 19444
2306 1 9 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.201 1.273 19444
2307 1 9 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.778 1.043 19444
2308 1 9 . 1 1 112 112 HIS H H 112 8.300 8.300 8.492 -0.192 19444
2309 1 9 . 1 1 113 113 LEU N N 113 120.770 120.770 119.455 1.315 19444
2310 1 9 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.107 -0.006 19444
2311 1 9 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.426 -1.223 19444
2312 1 9 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.418 1.459 19444
2313 1 9 . 1 1 113 113 LEU H H 113 7.518 7.518 7.103 0.415 19444
2314 1 10 . 1 1 59 59 ALA N N 59 123.352 123.352 122.294 1.058 19444
2315 1 10 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.504 -0.220 19444
2316 1 10 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.650 0.646 19444
2317 1 10 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.329 -0.696 19444
2318 1 10 . 1 1 59 59 ALA H H 59 7.997 7.997 7.693 0.304 19444
2319 1 10 . 1 1 60 60 LEU N N 60 120.985 120.985 119.982 1.003 19444
2320 1 10 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.514 -0.061 19444
2321 1 10 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.294 -0.007 19444
2322 1 10 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.040 0.215 19444
2323 1 10 . 1 1 60 60 LEU H H 60 8.169 8.169 8.007 0.162 19444
2324 1 10 . 1 1 61 61 ALA N N 61 125.303 125.303 123.516 1.787 19444
2325 1 10 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.709 -0.212 19444
2326 1 10 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.741 0.486 19444
2327 1 10 . 1 1 61 61 ALA CB C 61 20.176 20.176 21.666 -1.490 19444
2328 1 10 . 1 1 61 61 ALA H H 61 8.445 8.445 8.229 0.216 19444
2329 1 10 . 1 1 62 62 ALA N N 62 127.804 127.804 125.194 2.610 19444
2330 1 10 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.741 -0.425 19444
2331 1 10 . 1 1 62 62 ALA CA C 62 52.009 52.009 50.940 1.069 19444
2332 1 10 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.985 -1.000 19444
2333 1 10 . 1 1 62 62 ALA H H 62 8.583 8.583 9.085 -0.502 19444
2334 1 10 . 1 1 63 63 LEU N N 63 120.096 120.096 121.550 -1.454 19444
2335 1 10 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.973 -0.089 19444
2336 1 10 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.836 -0.944 19444
2337 1 10 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.318 -1.186 19444
2338 1 10 . 1 1 63 63 LEU H H 63 8.077 8.077 8.309 -0.232 19444
2339 1 10 . 1 1 64 64 HIS N N 64 122.245 122.245 118.828 3.417 19444
2340 1 10 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.588 -0.348 19444
2341 1 10 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.052 0.974 19444
2342 1 10 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.422 -0.084 19444
2343 1 10 . 1 1 64 64 HIS H H 64 8.629 8.629 8.714 -0.085 19444
2344 1 10 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.298 0.052 19444
2345 1 10 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.154 0.195 19444
2346 1 10 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.697 0.021 19444
2347 1 10 . 1 1 66 66 ASP N N 66 115.211 115.211 115.049 0.162 19444
2348 1 10 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.730 -0.041 19444
2349 1 10 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.253 -0.731 19444
2350 1 10 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.783 -0.032 19444
2351 1 10 . 1 1 66 66 ASP H H 66 7.869 7.869 7.791 0.078 19444
2352 1 10 . 1 1 67 67 GLY N N 67 105.349 105.349 109.750 -4.401 19444
2353 1 10 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.056 0.210 19444
2354 1 10 . 1 1 67 67 GLY H H 67 8.441 8.441 8.377 0.064 19444
2355 1 10 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.254 -0.135 19444
2356 1 10 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.001 -0.797 19444
2357 1 10 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.615 -0.094 19444
2358 1 10 . 1 1 69 69 HIS N N 69 116.893 116.893 115.357 1.536 19444
2359 1 10 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.726 -0.041 19444
2360 1 10 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.623 0.363 19444
2361 1 10 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.314 0.162 19444
2362 1 10 . 1 1 69 69 HIS H H 69 8.503 8.503 8.130 0.373 19444
2363 1 10 . 1 1 70 70 ALA N N 70 120.705 120.705 122.008 -1.303 19444
2364 1 10 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.102 -0.535 19444
2365 1 10 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.688 0.091 19444
2366 1 10 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.289 -0.089 19444
2367 1 10 . 1 1 70 70 ALA H H 70 6.892 6.892 7.494 -0.602 19444
2368 1 10 . 1 1 71 71 GLY N N 71 109.407 109.407 113.865 -4.458 19444
2369 1 10 . 1 1 71 71 GLY CA C 71 45.346 45.346 44.996 0.350 19444
2370 1 10 . 1 1 71 71 GLY H H 71 9.144 9.144 9.017 0.127 19444
2371 1 10 . 1 1 72 72 LEU N N 72 119.969 119.969 121.816 -1.847 19444
2372 1 10 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.741 0.119 19444
2373 1 10 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.507 -0.431 19444
2374 1 10 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.698 -0.234 19444
2375 1 10 . 1 1 72 72 LEU H H 72 8.255 8.255 8.197 0.058 19444
2376 1 10 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.654 0.184 19444
2377 1 10 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.742 -1.232 19444
2378 1 10 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.207 -0.800 19444
2379 1 10 . 1 1 74 74 VAL N N 74 121.438 121.438 119.546 1.892 19444
2380 1 10 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.963 -0.474 19444
2381 1 10 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.210 1.443 19444
2382 1 10 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.276 -0.953 19444
2383 1 10 . 1 1 74 74 VAL H H 74 7.729 7.729 8.184 -0.455 19444
2384 1 10 . 1 1 75 75 THR N N 75 108.826 108.826 109.624 -0.798 19444
2385 1 10 . 1 1 75 75 THR HA H 75 5.015 5.015 4.567 0.448 19444
2386 1 10 . 1 1 75 75 THR CA C 75 59.822 59.822 59.002 0.820 19444
2387 1 10 . 1 1 75 75 THR CB C 75 74.087 74.087 71.811 2.276 19444
2388 1 10 . 1 1 75 75 THR H H 75 8.763 8.763 8.080 0.683 19444
2389 1 10 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.666 0.264 19444
2390 1 10 . 1 1 77 77 SER N N 77 114.493 114.493 113.915 0.578 19444
2391 1 10 . 1 1 77 77 SER HA H 77 4.133 4.133 4.055 0.078 19444
2392 1 10 . 1 1 77 77 SER CA C 77 60.600 60.600 61.735 -1.135 19444
2393 1 10 . 1 1 77 77 SER CB C 77 62.378 62.378 62.764 -0.386 19444
2394 1 10 . 1 1 77 77 SER H H 77 8.231 8.231 8.041 0.190 19444
2395 1 10 . 1 1 78 78 ASP N N 78 120.698 120.698 122.649 -1.951 19444
2396 1 10 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.278 0.130 19444
2397 1 10 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.395 0.684 19444
2398 1 10 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.367 2.967 19444
2399 1 10 . 1 1 78 78 ASP H H 78 7.388 7.388 7.990 -0.602 19444
2400 1 10 . 1 1 79 79 ALA N N 79 120.570 120.570 122.630 -2.060 19444
2401 1 10 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.780 -0.056 19444
2402 1 10 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.037 -0.136 19444
2403 1 10 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.145 1.601 19444
2404 1 10 . 1 1 79 79 ALA H H 79 7.873 7.873 8.192 -0.319 19444
2405 1 10 . 1 1 80 80 ARG N N 80 116.347 116.347 119.059 -2.712 19444
2406 1 10 . 1 1 80 80 ARG HA H 80 3.808 3.808 3.902 -0.094 19444
2407 1 10 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.400 2.167 19444
2408 1 10 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.204 0.227 19444
2409 1 10 . 1 1 80 80 ARG H H 80 8.117 8.117 8.095 0.022 19444
2410 1 10 . 1 1 81 81 VAL N N 81 119.158 119.158 119.963 -0.805 19444
2411 1 10 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.833 -0.165 19444
2412 1 10 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.798 0.115 19444
2413 1 10 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.663 0.109 19444
2414 1 10 . 1 1 81 81 VAL H H 81 7.373 7.373 8.205 -0.832 19444
2415 1 10 . 1 1 82 82 LEU N N 82 118.515 118.515 121.851 -3.336 19444
2416 1 10 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.831 0.281 19444
2417 1 10 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.697 -0.442 19444
2418 1 10 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.856 -0.352 19444
2419 1 10 . 1 1 82 82 LEU H H 82 7.589 7.589 8.291 -0.702 19444
2420 1 10 . 1 1 83 83 ILE N N 83 121.181 121.181 119.300 1.881 19444
2421 1 10 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.643 0.131 19444
2422 1 10 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.784 0.047 19444
2423 1 10 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.965 0.623 19444
2424 1 10 . 1 1 83 83 ILE H H 83 8.755 8.755 8.177 0.578 19444
2425 1 10 . 1 1 84 84 PHE N N 84 123.192 123.192 119.948 3.244 19444
2426 1 10 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.099 0.063 19444
2427 1 10 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.356 0.300 19444
2428 1 10 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.057 0.007 19444
2429 1 10 . 1 1 84 84 PHE H H 84 8.683 8.683 8.701 -0.018 19444
2430 1 10 . 1 1 85 85 ASN N N 85 118.056 118.056 117.771 0.285 19444
2431 1 10 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.295 0.170 19444
2432 1 10 . 1 1 85 85 ASN CA C 85 56.147 56.147 57.014 -0.867 19444
2433 1 10 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.454 -0.551 19444
2434 1 10 . 1 1 85 85 ASN H H 85 8.892 8.892 8.676 0.216 19444
2435 1 10 . 1 1 86 86 ASP N N 86 120.374 120.374 121.055 -0.681 19444
2436 1 10 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.362 0.090 19444
2437 1 10 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.831 -0.534 19444
2438 1 10 . 1 1 86 86 ASP CB C 86 42.267 42.267 41.000 1.267 19444
2439 1 10 . 1 1 86 86 ASP H H 86 8.146 8.146 8.267 -0.121 19444
2440 1 10 . 1 1 87 87 TRP N N 87 121.401 121.401 121.935 -0.534 19444
2441 1 10 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.132 -0.175 19444
2442 1 10 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.434 0.353 19444
2443 1 10 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.557 -1.611 19444
2444 1 10 . 1 1 87 87 TRP H H 87 8.121 8.121 8.646 -0.525 19444
2445 1 10 . 1 1 88 88 GLU N N 88 117.779 117.779 118.937 -1.158 19444
2446 1 10 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.137 -0.191 19444
2447 1 10 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.504 0.166 19444
2448 1 10 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.729 0.811 19444
2449 1 10 . 1 1 88 88 GLU H H 88 8.613 8.613 8.385 0.228 19444
2450 1 10 . 1 1 89 89 GLU N N 89 116.209 116.209 119.557 -3.348 19444
2451 1 10 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.881 0.120 19444
2452 1 10 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.609 -1.119 19444
2453 1 10 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.527 0.361 19444
2454 1 10 . 1 1 89 89 GLU H H 89 7.456 7.456 7.932 -0.476 19444
2455 1 10 . 1 1 90 90 ARG N N 90 119.957 119.957 118.142 1.815 19444
2456 1 10 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.993 -0.040 19444
2457 1 10 . 1 1 90 90 ARG CA C 90 58.577 58.577 57.761 0.816 19444
2458 1 10 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.748 1.983 19444
2459 1 10 . 1 1 90 90 ARG H H 90 8.134 8.134 8.200 -0.066 19444
2460 1 10 . 1 1 91 91 LYS N N 91 118.871 118.871 120.743 -1.872 19444
2461 1 10 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.006 -0.334 19444
2462 1 10 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.624 -0.914 19444
2463 1 10 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.700 -1.195 19444
2464 1 10 . 1 1 91 91 LYS H H 91 8.325 8.325 8.059 0.266 19444
2465 1 10 . 1 1 92 92 ARG N N 92 117.453 117.453 118.163 -0.710 19444
2466 1 10 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.993 -0.118 19444
2467 1 10 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.179 0.702 19444
2468 1 10 . 1 1 92 92 ARG CB C 92 29.785 29.785 29.749 0.036 19444
2469 1 10 . 1 1 92 92 ARG H H 92 7.069 7.069 7.996 -0.927 19444
2470 1 10 . 1 1 93 93 SER N N 93 110.842 110.842 114.061 -3.219 19444
2471 1 10 . 1 1 93 93 SER HA H 93 4.513 4.513 4.263 0.250 19444
2472 1 10 . 1 1 93 93 SER CA C 93 58.762 58.762 60.422 -1.661 19444
2473 1 10 . 1 1 93 93 SER CB C 93 64.164 64.164 63.978 0.186 19444
2474 1 10 . 1 1 93 93 SER H H 93 7.427 7.427 7.696 -0.269 19444
2475 1 10 . 1 1 94 94 GLU N N 94 121.732 121.732 118.912 2.820 19444
2476 1 10 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.059 -0.382 19444
2477 1 10 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.816 0.070 19444
2478 1 10 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.305 -0.251 19444
2479 1 10 . 1 1 94 94 GLU H H 94 7.629 7.629 7.673 -0.044 19444
2480 1 10 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.354 -0.046 19444
2481 1 10 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.245 0.386 19444
2482 1 10 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.810 -0.326 19444
2483 1 10 . 1 1 96 96 TRP N N 96 115.321 115.321 116.227 -0.906 19444
2484 1 10 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.736 -0.081 19444
2485 1 10 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.546 2.220 19444
2486 1 10 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.780 -0.764 19444
2487 1 10 . 1 1 96 96 TRP H H 96 6.840 6.840 6.955 -0.115 19444
2488 1 10 . 1 1 97 97 LEU N N 97 125.159 125.159 124.166 0.993 19444
2489 1 10 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.447 -0.270 19444
2490 1 10 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.785 1.314 19444
2491 1 10 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.221 1.007 19444
2492 1 10 . 1 1 97 97 LEU H H 97 7.287 7.287 7.332 -0.045 19444
2493 1 10 . 1 1 98 98 ARG N N 98 128.515 128.515 128.164 0.351 19444
2494 1 10 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.665 -0.077 19444
2495 1 10 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.756 -0.666 19444
2496 1 10 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.449 -0.113 19444
2497 1 10 . 1 1 98 98 ARG H H 98 8.898 8.898 8.679 0.219 19444
2498 1 10 . 1 1 99 99 LEU N N 99 127.834 127.834 125.535 2.299 19444
2499 1 10 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.303 -0.707 19444
2500 1 10 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.246 0.332 19444
2501 1 10 . 1 1 99 99 LEU CB C 99 40.174 40.174 43.108 -2.934 19444
2502 1 10 . 1 1 99 99 LEU H H 99 8.362 8.362 8.391 -0.029 19444
2503 1 10 . 1 1 100 100 ASP N N 100 127.038 127.038 127.263 -0.225 19444
2504 1 10 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.929 -0.217 19444
2505 1 10 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.178 -1.164 19444
2506 1 10 . 1 1 100 100 ASP CB C 100 41.398 41.398 42.432 -1.034 19444
2507 1 10 . 1 1 100 100 ASP H H 100 7.998 7.998 8.558 -0.560 19444
2508 1 10 . 1 1 101 101 MET N N 101 122.551 122.551 117.791 4.760 19444
2509 1 10 . 1 1 101 101 MET HA H 101 4.533 4.533 4.565 -0.032 19444
2510 1 10 . 1 1 101 101 MET CA C 101 53.583 53.583 54.489 -0.906 19444
2511 1 10 . 1 1 101 101 MET CB C 101 33.400 33.400 33.779 -0.379 19444
2512 1 10 . 1 1 101 101 MET H H 101 8.761 8.761 7.876 0.885 19444
2513 1 10 . 1 1 102 102 SER N N 102 116.261 116.261 115.889 0.372 19444
2514 1 10 . 1 1 102 102 SER HA H 102 4.191 4.191 4.317 -0.126 19444
2515 1 10 . 1 1 102 102 SER CA C 102 58.655 58.655 57.863 0.792 19444
2516 1 10 . 1 1 102 102 SER CB C 102 64.764 64.764 65.306 -0.542 19444
2517 1 10 . 1 1 102 102 SER H H 102 8.212 8.212 7.657 0.555 19444
2518 1 10 . 1 1 103 103 ASP N N 103 121.700 121.700 121.291 0.409 19444
2519 1 10 . 1 1 103 103 ASP HA H 103 3.813 3.813 3.961 -0.148 19444
2520 1 10 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.620 -0.152 19444
2521 1 10 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.258 -1.474 19444
2522 1 10 . 1 1 103 103 ASP H H 103 8.791 8.791 8.953 -0.162 19444
2523 1 10 . 1 1 104 104 LYS N N 104 116.308 116.308 120.870 -4.562 19444
2524 1 10 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.156 -0.375 19444
2525 1 10 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.949 0.890 19444
2526 1 10 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.966 0.206 19444
2527 1 10 . 1 1 104 104 LYS H H 104 7.886 7.886 7.926 -0.040 19444
2528 1 10 . 1 1 105 105 ALA N N 105 122.364 122.364 122.094 0.270 19444
2529 1 10 . 1 1 105 105 ALA HA H 105 3.960 3.960 3.897 0.063 19444
2530 1 10 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.830 0.208 19444
2531 1 10 . 1 1 105 105 ALA CB C 105 17.941 17.941 17.982 -0.041 19444
2532 1 10 . 1 1 105 105 ALA H H 105 7.343 7.343 7.598 -0.255 19444
2533 1 10 . 1 1 106 106 ILE N N 106 119.713 119.713 119.107 0.606 19444
2534 1 10 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.582 -0.104 19444
2535 1 10 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.697 0.501 19444
2536 1 10 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.734 -0.212 19444
2537 1 10 . 1 1 106 106 ILE H H 106 8.124 8.124 8.237 -0.113 19444
2538 1 10 . 1 1 107 107 PHE N N 107 117.557 117.557 118.784 -1.227 19444
2539 1 10 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.570 -0.124 19444
2540 1 10 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.671 -2.744 19444
2541 1 10 . 1 1 107 107 PHE CB C 107 37.264 37.264 38.105 -0.841 19444
2542 1 10 . 1 1 107 107 PHE H H 107 8.448 8.448 8.106 0.342 19444
2543 1 10 . 1 1 108 108 ARG N N 108 117.407 117.407 118.582 -1.175 19444
2544 1 10 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.255 -0.172 19444
2545 1 10 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.127 0.502 19444
2546 1 10 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.975 0.485 19444
2547 1 10 . 1 1 108 108 ARG H H 108 7.568 7.568 8.419 -0.851 19444
2548 1 10 . 1 1 109 109 ARG N N 109 117.561 117.561 118.356 -0.795 19444
2549 1 10 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.101 -0.103 19444
2550 1 10 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.229 -0.674 19444
2551 1 10 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.422 0.165 19444
2552 1 10 . 1 1 109 109 ARG H H 109 7.281 7.281 7.935 -0.654 19444
2553 1 10 . 1 1 110 110 TYR N N 110 116.115 116.115 117.626 -1.511 19444
2554 1 10 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.101 0.227 19444
2555 1 10 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.003 -0.501 19444
2556 1 10 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.186 -0.697 19444
2557 1 10 . 1 1 110 110 TYR H H 110 8.877 8.877 8.287 0.590 19444
2558 1 10 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.611 -0.132 19444
2559 1 10 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.456 0.337 19444
2560 1 10 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.117 -0.446 19444
2561 1 10 . 1 1 112 112 HIS N N 112 116.277 116.277 116.934 -0.657 19444
2562 1 10 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.483 -0.051 19444
2563 1 10 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.663 0.811 19444
2564 1 10 . 1 1 112 112 HIS CB C 112 28.821 28.821 28.044 0.777 19444
2565 1 10 . 1 1 112 112 HIS H H 112 8.300 8.300 8.470 -0.170 19444
2566 1 10 . 1 1 113 113 LEU N N 113 120.770 120.770 119.655 1.115 19444
2567 1 10 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.078 0.023 19444
2568 1 10 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.574 -1.371 19444
2569 1 10 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.383 1.494 19444
2570 1 10 . 1 1 113 113 LEU H H 113 7.518 7.518 7.145 0.373 19444
2571 1 11 . 1 1 59 59 ALA N N 59 123.352 123.352 120.921 2.431 19444
2572 1 11 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.101 0.183 19444
2573 1 11 . 1 1 59 59 ALA CA C 59 52.296 52.296 52.456 -0.160 19444
2574 1 11 . 1 1 59 59 ALA CB C 59 19.633 19.633 19.016 0.617 19444
2575 1 11 . 1 1 59 59 ALA H H 59 7.997 7.997 8.118 -0.121 19444
2576 1 11 . 1 1 60 60 LEU N N 60 120.985 120.985 120.658 0.327 19444
2577 1 11 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.472 -0.019 19444
2578 1 11 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.766 -0.478 19444
2579 1 11 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.526 -0.271 19444
2580 1 11 . 1 1 60 60 LEU H H 60 8.169 8.169 8.175 -0.006 19444
2581 1 11 . 1 1 61 61 ALA N N 61 125.303 125.303 127.474 -2.171 19444
2582 1 11 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.554 -0.057 19444
2583 1 11 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.892 0.335 19444
2584 1 11 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.295 -0.119 19444
2585 1 11 . 1 1 61 61 ALA H H 61 8.445 8.445 8.139 0.306 19444
2586 1 11 . 1 1 62 62 ALA N N 62 127.804 127.804 126.283 1.521 19444
2587 1 11 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.660 -0.344 19444
2588 1 11 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.113 0.896 19444
2589 1 11 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.965 -0.980 19444
2590 1 11 . 1 1 62 62 ALA H H 62 8.583 8.583 9.082 -0.499 19444
2591 1 11 . 1 1 63 63 LEU N N 63 120.096 120.096 121.372 -1.276 19444
2592 1 11 . 1 1 63 63 LEU HA H 63 4.884 4.884 5.012 -0.128 19444
2593 1 11 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.801 -0.909 19444
2594 1 11 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.442 -1.310 19444
2595 1 11 . 1 1 63 63 LEU H H 63 8.077 8.077 8.266 -0.189 19444
2596 1 11 . 1 1 64 64 HIS N N 64 122.245 122.245 118.832 3.413 19444
2597 1 11 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.602 -0.362 19444
2598 1 11 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.014 1.012 19444
2599 1 11 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.439 -0.101 19444
2600 1 11 . 1 1 64 64 HIS H H 64 8.629 8.629 8.682 -0.053 19444
2601 1 11 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.359 -0.009 19444
2602 1 11 . 1 1 65 65 ALA CA C 65 53.349 53.349 52.847 0.502 19444
2603 1 11 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.762 -0.044 19444
2604 1 11 . 1 1 66 66 ASP N N 66 115.211 115.211 115.861 -0.650 19444
2605 1 11 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.777 -0.088 19444
2606 1 11 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.470 -0.948 19444
2607 1 11 . 1 1 66 66 ASP CB C 66 42.751 42.751 44.176 -1.425 19444
2608 1 11 . 1 1 66 66 ASP H H 66 7.869 7.869 7.887 -0.018 19444
2609 1 11 . 1 1 67 67 GLY N N 67 105.349 105.349 108.878 -3.529 19444
2610 1 11 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.019 0.247 19444
2611 1 11 . 1 1 67 67 GLY H H 67 8.441 8.441 8.390 0.051 19444
2612 1 11 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.249 -0.130 19444
2613 1 11 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.011 -0.807 19444
2614 1 11 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.616 -0.095 19444
2615 1 11 . 1 1 69 69 HIS N N 69 116.893 116.893 115.417 1.476 19444
2616 1 11 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.729 -0.044 19444
2617 1 11 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.645 0.341 19444
2618 1 11 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.309 0.168 19444
2619 1 11 . 1 1 69 69 HIS H H 69 8.503 8.503 8.154 0.349 19444
2620 1 11 . 1 1 70 70 ALA N N 70 120.705 120.705 121.995 -1.290 19444
2621 1 11 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.105 -0.538 19444
2622 1 11 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.691 0.088 19444
2623 1 11 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.298 -0.098 19444
2624 1 11 . 1 1 70 70 ALA H H 70 6.892 6.892 7.482 -0.590 19444
2625 1 11 . 1 1 71 71 GLY N N 71 109.407 109.407 113.625 -4.218 19444
2626 1 11 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.019 0.327 19444
2627 1 11 . 1 1 71 71 GLY H H 71 9.144 9.144 9.011 0.133 19444
2628 1 11 . 1 1 72 72 LEU N N 72 119.969 119.969 121.747 -1.778 19444
2629 1 11 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.762 0.098 19444
2630 1 11 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.419 -0.343 19444
2631 1 11 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.736 -0.272 19444
2632 1 11 . 1 1 72 72 LEU H H 72 8.255 8.255 8.079 0.176 19444
2633 1 11 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.676 0.162 19444
2634 1 11 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.722 -1.212 19444
2635 1 11 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.159 -0.752 19444
2636 1 11 . 1 1 74 74 VAL N N 74 121.438 121.438 120.715 0.723 19444
2637 1 11 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.857 -0.368 19444
2638 1 11 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.212 1.442 19444
2639 1 11 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.099 -0.776 19444
2640 1 11 . 1 1 74 74 VAL H H 74 7.729 7.729 8.272 -0.543 19444
2641 1 11 . 1 1 75 75 THR N N 75 108.826 108.826 109.983 -1.157 19444
2642 1 11 . 1 1 75 75 THR HA H 75 5.015 5.015 4.592 0.423 19444
2643 1 11 . 1 1 75 75 THR CA C 75 59.822 59.822 59.279 0.543 19444
2644 1 11 . 1 1 75 75 THR CB C 75 74.087 74.087 71.834 2.253 19444
2645 1 11 . 1 1 75 75 THR H H 75 8.763 8.763 8.220 0.543 19444
2646 1 11 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.851 0.079 19444
2647 1 11 . 1 1 77 77 SER N N 77 114.493 114.493 114.339 0.154 19444
2648 1 11 . 1 1 77 77 SER HA H 77 4.133 4.133 4.157 -0.024 19444
2649 1 11 . 1 1 77 77 SER CA C 77 60.600 60.600 61.197 -0.597 19444
2650 1 11 . 1 1 77 77 SER CB C 77 62.378 62.378 62.531 -0.153 19444
2651 1 11 . 1 1 77 77 SER H H 77 8.231 8.231 7.904 0.327 19444
2652 1 11 . 1 1 78 78 ASP N N 78 120.698 120.698 121.909 -1.211 19444
2653 1 11 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.311 0.097 19444
2654 1 11 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.370 0.709 19444
2655 1 11 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.420 2.913 19444
2656 1 11 . 1 1 78 78 ASP H H 78 7.388 7.388 8.002 -0.614 19444
2657 1 11 . 1 1 79 79 ALA N N 79 120.570 120.570 122.605 -2.035 19444
2658 1 11 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.791 -0.067 19444
2659 1 11 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.062 -0.161 19444
2660 1 11 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.199 1.547 19444
2661 1 11 . 1 1 79 79 ALA H H 79 7.873 7.873 8.264 -0.391 19444
2662 1 11 . 1 1 80 80 ARG N N 80 116.347 116.347 119.347 -3.000 19444
2663 1 11 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.015 -0.207 19444
2664 1 11 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.505 2.062 19444
2665 1 11 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.302 0.129 19444
2666 1 11 . 1 1 80 80 ARG H H 80 8.117 8.117 8.172 -0.055 19444
2667 1 11 . 1 1 81 81 VAL N N 81 119.158 119.158 119.593 -0.435 19444
2668 1 11 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.885 -0.217 19444
2669 1 11 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.732 0.181 19444
2670 1 11 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.663 0.109 19444
2671 1 11 . 1 1 81 81 VAL H H 81 7.373 7.373 8.265 -0.892 19444
2672 1 11 . 1 1 82 82 LEU N N 82 118.515 118.515 121.459 -2.944 19444
2673 1 11 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.883 0.229 19444
2674 1 11 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.633 -0.378 19444
2675 1 11 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.587 -0.083 19444
2676 1 11 . 1 1 82 82 LEU H H 82 7.589 7.589 8.329 -0.740 19444
2677 1 11 . 1 1 83 83 ILE N N 83 121.181 121.181 119.644 1.537 19444
2678 1 11 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.689 0.085 19444
2679 1 11 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.761 0.070 19444
2680 1 11 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.977 0.611 19444
2681 1 11 . 1 1 83 83 ILE H H 83 8.755 8.755 8.298 0.457 19444
2682 1 11 . 1 1 84 84 PHE N N 84 123.192 123.192 120.264 2.928 19444
2683 1 11 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.101 0.061 19444
2684 1 11 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.344 0.312 19444
2685 1 11 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.095 -0.031 19444
2686 1 11 . 1 1 84 84 PHE H H 84 8.683 8.683 8.611 0.072 19444
2687 1 11 . 1 1 85 85 ASN N N 85 118.056 118.056 117.551 0.505 19444
2688 1 11 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.279 0.186 19444
2689 1 11 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.002 0.145 19444
2690 1 11 . 1 1 85 85 ASN CB C 85 37.903 37.903 37.754 0.149 19444
2691 1 11 . 1 1 85 85 ASN H H 85 8.892 8.892 8.704 0.188 19444
2692 1 11 . 1 1 86 86 ASP N N 86 120.374 120.374 121.546 -1.172 19444
2693 1 11 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.398 0.054 19444
2694 1 11 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.731 -0.434 19444
2695 1 11 . 1 1 86 86 ASP CB C 86 42.267 42.267 41.068 1.199 19444
2696 1 11 . 1 1 86 86 ASP H H 86 8.146 8.146 8.419 -0.273 19444
2697 1 11 . 1 1 87 87 TRP N N 87 121.401 121.401 121.827 -0.426 19444
2698 1 11 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.103 -0.146 19444
2699 1 11 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.742 0.045 19444
2700 1 11 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.561 -1.615 19444
2701 1 11 . 1 1 87 87 TRP H H 87 8.121 8.121 8.328 -0.207 19444
2702 1 11 . 1 1 88 88 GLU N N 88 117.779 117.779 118.828 -1.049 19444
2703 1 11 . 1 1 88 88 GLU HA H 88 2.946 2.946 2.993 -0.047 19444
2704 1 11 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.569 0.100 19444
2705 1 11 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.975 0.565 19444
2706 1 11 . 1 1 88 88 GLU H H 88 8.613 8.613 8.349 0.264 19444
2707 1 11 . 1 1 89 89 GLU N N 89 116.209 116.209 119.605 -3.396 19444
2708 1 11 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.895 0.106 19444
2709 1 11 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.291 -0.801 19444
2710 1 11 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.342 0.546 19444
2711 1 11 . 1 1 89 89 GLU H H 89 7.456 7.456 7.892 -0.436 19444
2712 1 11 . 1 1 90 90 ARG N N 90 119.957 119.957 118.224 1.733 19444
2713 1 11 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.976 -0.023 19444
2714 1 11 . 1 1 90 90 ARG CA C 90 58.577 58.577 57.788 0.789 19444
2715 1 11 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.722 2.009 19444
2716 1 11 . 1 1 90 90 ARG H H 90 8.134 8.134 7.983 0.151 19444
2717 1 11 . 1 1 91 91 LYS N N 91 118.871 118.871 120.407 -1.536 19444
2718 1 11 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.131 -0.459 19444
2719 1 11 . 1 1 91 91 LYS CA C 91 57.710 57.710 57.798 -0.089 19444
2720 1 11 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.541 -1.036 19444
2721 1 11 . 1 1 91 91 LYS H H 91 8.325 8.325 7.972 0.353 19444
2722 1 11 . 1 1 92 92 ARG N N 92 117.453 117.453 118.779 -1.326 19444
2723 1 11 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.923 -0.048 19444
2724 1 11 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.490 0.391 19444
2725 1 11 . 1 1 92 92 ARG CB C 92 29.785 29.785 29.965 -0.180 19444
2726 1 11 . 1 1 92 92 ARG H H 92 7.069 7.069 7.991 -0.922 19444
2727 1 11 . 1 1 93 93 SER N N 93 110.842 110.842 113.872 -3.030 19444
2728 1 11 . 1 1 93 93 SER HA H 93 4.513 4.513 4.209 0.304 19444
2729 1 11 . 1 1 93 93 SER CA C 93 58.762 58.762 60.245 -1.483 19444
2730 1 11 . 1 1 93 93 SER CB C 93 64.164 64.164 63.734 0.430 19444
2731 1 11 . 1 1 93 93 SER H H 93 7.427 7.427 7.850 -0.423 19444
2732 1 11 . 1 1 94 94 GLU N N 94 121.732 121.732 119.272 2.460 19444
2733 1 11 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.033 -0.356 19444
2734 1 11 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.586 0.301 19444
2735 1 11 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.312 -0.258 19444
2736 1 11 . 1 1 94 94 GLU H H 94 7.629 7.629 7.773 -0.144 19444
2737 1 11 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.364 -0.056 19444
2738 1 11 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.318 0.313 19444
2739 1 11 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.833 -0.349 19444
2740 1 11 . 1 1 96 96 TRP N N 96 115.321 115.321 116.669 -1.348 19444
2741 1 11 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.748 -0.093 19444
2742 1 11 . 1 1 96 96 TRP CA C 96 56.766 56.766 55.004 1.762 19444
2743 1 11 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.175 -0.159 19444
2744 1 11 . 1 1 96 96 TRP H H 96 6.840 6.840 6.831 0.009 19444
2745 1 11 . 1 1 97 97 LEU N N 97 125.159 125.159 123.716 1.443 19444
2746 1 11 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.443 -0.266 19444
2747 1 11 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.658 1.441 19444
2748 1 11 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.839 0.389 19444
2749 1 11 . 1 1 97 97 LEU H H 97 7.287 7.287 7.160 0.127 19444
2750 1 11 . 1 1 98 98 ARG N N 98 128.515 128.515 128.435 0.080 19444
2751 1 11 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.618 -0.030 19444
2752 1 11 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.931 -0.841 19444
2753 1 11 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.299 0.037 19444
2754 1 11 . 1 1 98 98 ARG H H 98 8.898 8.898 8.667 0.231 19444
2755 1 11 . 1 1 99 99 LEU N N 99 127.834 127.834 124.470 3.364 19444
2756 1 11 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.337 -0.741 19444
2757 1 11 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.053 0.525 19444
2758 1 11 . 1 1 99 99 LEU CB C 99 40.174 40.174 42.286 -2.112 19444
2759 1 11 . 1 1 99 99 LEU H H 99 8.362 8.362 8.212 0.150 19444
2760 1 11 . 1 1 100 100 ASP N N 100 127.038 127.038 128.544 -1.506 19444
2761 1 11 . 1 1 100 100 ASP HA H 100 4.712 4.712 5.044 -0.332 19444
2762 1 11 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.323 -1.309 19444
2763 1 11 . 1 1 100 100 ASP CB C 100 41.398 41.398 44.381 -2.983 19444
2764 1 11 . 1 1 100 100 ASP H H 100 7.998 7.998 8.518 -0.520 19444
2765 1 11 . 1 1 101 101 MET N N 101 122.551 122.551 118.552 3.999 19444
2766 1 11 . 1 1 101 101 MET HA H 101 4.533 4.533 4.804 -0.271 19444
2767 1 11 . 1 1 101 101 MET CA C 101 53.583 53.583 55.465 -1.882 19444
2768 1 11 . 1 1 101 101 MET CB C 101 33.400 33.400 33.588 -0.188 19444
2769 1 11 . 1 1 101 101 MET H H 101 8.761 8.761 9.186 -0.425 19444
2770 1 11 . 1 1 102 102 SER N N 102 116.261 116.261 117.756 -1.495 19444
2771 1 11 . 1 1 102 102 SER HA H 102 4.191 4.191 4.617 -0.426 19444
2772 1 11 . 1 1 102 102 SER CA C 102 58.655 58.655 57.221 1.433 19444
2773 1 11 . 1 1 102 102 SER CB C 102 64.764 64.764 65.345 -0.581 19444
2774 1 11 . 1 1 102 102 SER H H 102 8.212 8.212 8.035 0.177 19444
2775 1 11 . 1 1 103 103 ASP N N 103 121.700 121.700 121.663 0.037 19444
2776 1 11 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.090 -0.277 19444
2777 1 11 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.367 0.101 19444
2778 1 11 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.252 -1.468 19444
2779 1 11 . 1 1 103 103 ASP H H 103 8.791 8.791 9.007 -0.216 19444
2780 1 11 . 1 1 104 104 LYS N N 104 116.308 116.308 120.279 -3.971 19444
2781 1 11 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.270 -0.489 19444
2782 1 11 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.392 1.448 19444
2783 1 11 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.904 0.268 19444
2784 1 11 . 1 1 104 104 LYS H H 104 7.886 7.886 8.203 -0.317 19444
2785 1 11 . 1 1 105 105 ALA N N 105 122.364 122.364 121.909 0.455 19444
2786 1 11 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.223 -0.263 19444
2787 1 11 . 1 1 105 105 ALA CA C 105 55.038 55.038 55.073 -0.035 19444
2788 1 11 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.244 -0.303 19444
2789 1 11 . 1 1 105 105 ALA H H 105 7.343 7.343 7.891 -0.548 19444
2790 1 11 . 1 1 106 106 ILE N N 106 119.713 119.713 119.320 0.393 19444
2791 1 11 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.636 -0.158 19444
2792 1 11 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.650 0.548 19444
2793 1 11 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.719 -0.196 19444
2794 1 11 . 1 1 106 106 ILE H H 106 8.124 8.124 8.179 -0.055 19444
2795 1 11 . 1 1 107 107 PHE N N 107 117.557 117.557 118.743 -1.186 19444
2796 1 11 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.613 -0.167 19444
2797 1 11 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.603 -2.676 19444
2798 1 11 . 1 1 107 107 PHE CB C 107 37.264 37.264 38.005 -0.741 19444
2799 1 11 . 1 1 107 107 PHE H H 107 8.448 8.448 8.158 0.290 19444
2800 1 11 . 1 1 108 108 ARG N N 108 117.407 117.407 118.777 -1.370 19444
2801 1 11 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.273 -0.190 19444
2802 1 11 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.191 0.438 19444
2803 1 11 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.941 0.519 19444
2804 1 11 . 1 1 108 108 ARG H H 108 7.568 7.568 8.374 -0.806 19444
2805 1 11 . 1 1 109 109 ARG N N 109 117.561 117.561 116.920 0.641 19444
2806 1 11 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.160 -0.162 19444
2807 1 11 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.172 -0.617 19444
2808 1 11 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.390 0.197 19444
2809 1 11 . 1 1 109 109 ARG H H 109 7.281 7.281 8.094 -0.813 19444
2810 1 11 . 1 1 110 110 TYR N N 110 116.115 116.115 117.411 -1.296 19444
2811 1 11 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.059 0.269 19444
2812 1 11 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.335 -0.833 19444
2813 1 11 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.851 -1.362 19444
2814 1 11 . 1 1 110 110 TYR H H 110 8.877 8.877 8.207 0.670 19444
2815 1 11 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.746 -0.267 19444
2816 1 11 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.201 0.592 19444
2817 1 11 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.263 -0.592 19444
2818 1 11 . 1 1 112 112 HIS N N 112 116.277 116.277 115.112 1.165 19444
2819 1 11 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.514 -0.082 19444
2820 1 11 . 1 1 112 112 HIS CA C 112 58.474 58.474 56.962 1.512 19444
2821 1 11 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.864 0.957 19444
2822 1 11 . 1 1 112 112 HIS H H 112 8.300 8.300 8.525 -0.225 19444
2823 1 11 . 1 1 113 113 LEU N N 113 120.770 120.770 120.057 0.713 19444
2824 1 11 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.142 -0.041 19444
2825 1 11 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.450 -1.247 19444
2826 1 11 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.717 1.161 19444
2827 1 11 . 1 1 113 113 LEU H H 113 7.518 7.518 7.185 0.333 19444
2828 1 12 . 1 1 59 59 ALA N N 59 123.352 123.352 122.338 1.014 19444
2829 1 12 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.790 -0.506 19444
2830 1 12 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.687 0.609 19444
2831 1 12 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.634 -1.001 19444
2832 1 12 . 1 1 59 59 ALA H H 59 7.997 7.997 7.868 0.129 19444
2833 1 12 . 1 1 60 60 LEU N N 60 120.985 120.985 120.897 0.088 19444
2834 1 12 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.658 -0.205 19444
2835 1 12 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.665 -0.378 19444
2836 1 12 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.788 -0.533 19444
2837 1 12 . 1 1 60 60 LEU H H 60 8.169 8.169 8.297 -0.128 19444
2838 1 12 . 1 1 61 61 ALA N N 61 125.303 125.303 123.868 1.435 19444
2839 1 12 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.718 -0.221 19444
2840 1 12 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.818 0.409 19444
2841 1 12 . 1 1 61 61 ALA CB C 61 20.176 20.176 21.035 -0.859 19444
2842 1 12 . 1 1 61 61 ALA H H 61 8.445 8.445 8.270 0.175 19444
2843 1 12 . 1 1 62 62 ALA N N 62 127.804 127.804 125.451 2.353 19444
2844 1 12 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.707 -0.391 19444
2845 1 12 . 1 1 62 62 ALA CA C 62 52.009 52.009 50.969 1.040 19444
2846 1 12 . 1 1 62 62 ALA CB C 62 18.985 18.985 20.003 -1.018 19444
2847 1 12 . 1 1 62 62 ALA H H 62 8.583 8.583 9.005 -0.422 19444
2848 1 12 . 1 1 63 63 LEU N N 63 120.096 120.096 121.528 -1.432 19444
2849 1 12 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.873 0.011 19444
2850 1 12 . 1 1 63 63 LEU CA C 63 51.892 51.892 53.610 -1.718 19444
2851 1 12 . 1 1 63 63 LEU CB C 63 44.132 44.132 46.077 -1.945 19444
2852 1 12 . 1 1 63 63 LEU H H 63 8.077 8.077 8.300 -0.223 19444
2853 1 12 . 1 1 64 64 HIS N N 64 122.245 122.245 119.519 2.726 19444
2854 1 12 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.626 -0.386 19444
2855 1 12 . 1 1 64 64 HIS CA C 64 58.026 58.026 56.718 1.308 19444
2856 1 12 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.209 0.129 19444
2857 1 12 . 1 1 64 64 HIS H H 64 8.629 8.629 8.705 -0.076 19444
2858 1 12 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.319 0.031 19444
2859 1 12 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.026 0.323 19444
2860 1 12 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.758 -0.040 19444
2861 1 12 . 1 1 66 66 ASP N N 66 115.211 115.211 115.332 -0.121 19444
2862 1 12 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.741 -0.052 19444
2863 1 12 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.253 -0.731 19444
2864 1 12 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.853 -0.102 19444
2865 1 12 . 1 1 66 66 ASP H H 66 7.869 7.869 7.798 0.071 19444
2866 1 12 . 1 1 67 67 GLY N N 67 105.349 105.349 109.757 -4.408 19444
2867 1 12 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.020 0.246 19444
2868 1 12 . 1 1 67 67 GLY H H 67 8.441 8.441 8.371 0.070 19444
2869 1 12 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.247 -0.128 19444
2870 1 12 . 1 1 68 68 PRO CA C 68 64.204 64.204 64.989 -0.785 19444
2871 1 12 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.611 -0.090 19444
2872 1 12 . 1 1 69 69 HIS N N 69 116.893 116.893 115.413 1.480 19444
2873 1 12 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.728 -0.043 19444
2874 1 12 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.654 0.332 19444
2875 1 12 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.316 0.161 19444
2876 1 12 . 1 1 69 69 HIS H H 69 8.503 8.503 8.151 0.352 19444
2877 1 12 . 1 1 70 70 ALA N N 70 120.705 120.705 121.971 -1.266 19444
2878 1 12 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.126 -0.559 19444
2879 1 12 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.671 0.108 19444
2880 1 12 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.303 -0.103 19444
2881 1 12 . 1 1 70 70 ALA H H 70 6.892 6.892 7.478 -0.586 19444
2882 1 12 . 1 1 71 71 GLY N N 71 109.407 109.407 113.501 -4.094 19444
2883 1 12 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.013 0.333 19444
2884 1 12 . 1 1 71 71 GLY H H 71 9.144 9.144 8.980 0.164 19444
2885 1 12 . 1 1 72 72 LEU N N 72 119.969 119.969 121.261 -1.292 19444
2886 1 12 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.842 0.018 19444
2887 1 12 . 1 1 72 72 LEU CA C 72 52.076 52.076 51.997 0.079 19444
2888 1 12 . 1 1 72 72 LEU CB C 72 41.464 41.464 42.083 -0.619 19444
2889 1 12 . 1 1 72 72 LEU H H 72 8.255 8.255 8.132 0.123 19444
2890 1 12 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.608 0.230 19444
2891 1 12 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.856 -1.346 19444
2892 1 12 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.184 -0.777 19444
2893 1 12 . 1 1 74 74 VAL N N 74 121.438 121.438 119.712 1.726 19444
2894 1 12 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.956 -0.467 19444
2895 1 12 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.027 1.626 19444
2896 1 12 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.201 -0.878 19444
2897 1 12 . 1 1 74 74 VAL H H 74 7.729 7.729 8.247 -0.518 19444
2898 1 12 . 1 1 75 75 THR N N 75 108.826 108.826 109.983 -1.157 19444
2899 1 12 . 1 1 75 75 THR HA H 75 5.015 5.015 4.616 0.399 19444
2900 1 12 . 1 1 75 75 THR CA C 75 59.822 59.822 59.268 0.554 19444
2901 1 12 . 1 1 75 75 THR CB C 75 74.087 74.087 71.862 2.225 19444
2902 1 12 . 1 1 75 75 THR H H 75 8.763 8.763 8.260 0.503 19444
2903 1 12 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.751 0.179 19444
2904 1 12 . 1 1 77 77 SER N N 77 114.493 114.493 114.907 -0.414 19444
2905 1 12 . 1 1 77 77 SER HA H 77 4.133 4.133 4.062 0.071 19444
2906 1 12 . 1 1 77 77 SER CA C 77 60.600 60.600 61.877 -1.277 19444
2907 1 12 . 1 1 77 77 SER CB C 77 62.378 62.378 62.715 -0.338 19444
2908 1 12 . 1 1 77 77 SER H H 77 8.231 8.231 8.356 -0.125 19444
2909 1 12 . 1 1 78 78 ASP N N 78 120.698 120.698 122.537 -1.839 19444
2910 1 12 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.324 0.084 19444
2911 1 12 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.338 0.741 19444
2912 1 12 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.330 3.004 19444
2913 1 12 . 1 1 78 78 ASP H H 78 7.388 7.388 7.999 -0.611 19444
2914 1 12 . 1 1 79 79 ALA N N 79 120.570 120.570 122.685 -2.115 19444
2915 1 12 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.827 -0.103 19444
2916 1 12 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.102 -0.201 19444
2917 1 12 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.195 1.551 19444
2918 1 12 . 1 1 79 79 ALA H H 79 7.873 7.873 8.272 -0.399 19444
2919 1 12 . 1 1 80 80 ARG N N 80 116.347 116.347 119.126 -2.779 19444
2920 1 12 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.032 -0.224 19444
2921 1 12 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.440 2.127 19444
2922 1 12 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.364 0.067 19444
2923 1 12 . 1 1 80 80 ARG H H 80 8.117 8.117 8.104 0.013 19444
2924 1 12 . 1 1 81 81 VAL N N 81 119.158 119.158 120.312 -1.154 19444
2925 1 12 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.803 -0.135 19444
2926 1 12 . 1 1 81 81 VAL CA C 81 66.913 66.913 67.006 -0.093 19444
2927 1 12 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.716 0.056 19444
2928 1 12 . 1 1 81 81 VAL H H 81 7.373 7.373 8.265 -0.892 19444
2929 1 12 . 1 1 82 82 LEU N N 82 118.515 118.515 120.594 -2.079 19444
2930 1 12 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.953 0.159 19444
2931 1 12 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.440 -0.185 19444
2932 1 12 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.601 -0.097 19444
2933 1 12 . 1 1 82 82 LEU H H 82 7.589 7.589 8.227 -0.638 19444
2934 1 12 . 1 1 83 83 ILE N N 83 121.181 121.181 119.780 1.401 19444
2935 1 12 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.676 0.098 19444
2936 1 12 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.864 -0.033 19444
2937 1 12 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.987 0.601 19444
2938 1 12 . 1 1 83 83 ILE H H 83 8.755 8.755 8.407 0.348 19444
2939 1 12 . 1 1 84 84 PHE N N 84 123.192 123.192 119.701 3.491 19444
2940 1 12 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.121 0.041 19444
2941 1 12 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.101 0.555 19444
2942 1 12 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.209 -0.145 19444
2943 1 12 . 1 1 84 84 PHE H H 84 8.683 8.683 8.578 0.105 19444
2944 1 12 . 1 1 85 85 ASN N N 85 118.056 118.056 117.839 0.217 19444
2945 1 12 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.284 0.181 19444
2946 1 12 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.890 -0.743 19444
2947 1 12 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.529 -0.626 19444
2948 1 12 . 1 1 85 85 ASN H H 85 8.892 8.892 8.723 0.169 19444
2949 1 12 . 1 1 86 86 ASP N N 86 120.374 120.374 121.155 -0.781 19444
2950 1 12 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.454 -0.002 19444
2951 1 12 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.697 -0.400 19444
2952 1 12 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.806 1.461 19444
2953 1 12 . 1 1 86 86 ASP H H 86 8.146 8.146 8.325 -0.179 19444
2954 1 12 . 1 1 87 87 TRP N N 87 121.401 121.401 122.156 -0.755 19444
2955 1 12 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.133 -0.176 19444
2956 1 12 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.392 0.395 19444
2957 1 12 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.574 -1.628 19444
2958 1 12 . 1 1 87 87 TRP H H 87 8.121 8.121 8.540 -0.419 19444
2959 1 12 . 1 1 88 88 GLU N N 88 117.779 117.779 118.684 -0.905 19444
2960 1 12 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.056 -0.110 19444
2961 1 12 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.671 -0.001 19444
2962 1 12 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.955 0.585 19444
2963 1 12 . 1 1 88 88 GLU H H 88 8.613 8.613 8.502 0.111 19444
2964 1 12 . 1 1 89 89 GLU N N 89 116.209 116.209 119.631 -3.422 19444
2965 1 12 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.931 0.070 19444
2966 1 12 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.340 -0.850 19444
2967 1 12 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.537 0.351 19444
2968 1 12 . 1 1 89 89 GLU H H 89 7.456 7.456 7.970 -0.514 19444
2969 1 12 . 1 1 90 90 ARG N N 90 119.957 119.957 118.848 1.109 19444
2970 1 12 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.875 0.078 19444
2971 1 12 . 1 1 90 90 ARG CA C 90 58.577 58.577 59.180 -0.603 19444
2972 1 12 . 1 1 90 90 ARG CB C 90 31.731 31.731 30.122 1.609 19444
2973 1 12 . 1 1 90 90 ARG H H 90 8.134 8.134 8.072 0.062 19444
2974 1 12 . 1 1 91 91 LYS N N 91 118.871 118.871 120.290 -1.419 19444
2975 1 12 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.008 -0.336 19444
2976 1 12 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.550 -0.840 19444
2977 1 12 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.636 -1.131 19444
2978 1 12 . 1 1 91 91 LYS H H 91 8.325 8.325 7.999 0.326 19444
2979 1 12 . 1 1 92 92 ARG N N 92 117.453 117.453 118.647 -1.194 19444
2980 1 12 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.928 -0.053 19444
2981 1 12 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.501 0.381 19444
2982 1 12 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.118 -0.333 19444
2983 1 12 . 1 1 92 92 ARG H H 92 7.069 7.069 7.904 -0.835 19444
2984 1 12 . 1 1 93 93 SER N N 93 110.842 110.842 113.676 -2.834 19444
2985 1 12 . 1 1 93 93 SER HA H 93 4.513 4.513 4.243 0.270 19444
2986 1 12 . 1 1 93 93 SER CA C 93 58.762 58.762 60.367 -1.605 19444
2987 1 12 . 1 1 93 93 SER CB C 93 64.164 64.164 63.998 0.166 19444
2988 1 12 . 1 1 93 93 SER H H 93 7.427 7.427 7.605 -0.178 19444
2989 1 12 . 1 1 94 94 GLU N N 94 121.732 121.732 118.851 2.881 19444
2990 1 12 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.053 -0.376 19444
2991 1 12 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.877 0.009 19444
2992 1 12 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.383 -0.329 19444
2993 1 12 . 1 1 94 94 GLU H H 94 7.629 7.629 7.772 -0.143 19444
2994 1 12 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.356 -0.048 19444
2995 1 12 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.254 0.377 19444
2996 1 12 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.834 -0.350 19444
2997 1 12 . 1 1 96 96 TRP N N 96 115.321 115.321 116.103 -0.782 19444
2998 1 12 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.719 -0.064 19444
2999 1 12 . 1 1 96 96 TRP CA C 96 56.766 56.766 55.082 1.684 19444
3000 1 12 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.173 -0.157 19444
3001 1 12 . 1 1 96 96 TRP H H 96 6.840 6.840 6.831 0.009 19444
3002 1 12 . 1 1 97 97 LEU N N 97 125.159 125.159 123.529 1.630 19444
3003 1 12 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.395 -0.218 19444
3004 1 12 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.799 1.300 19444
3005 1 12 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.562 0.666 19444
3006 1 12 . 1 1 97 97 LEU H H 97 7.287 7.287 7.168 0.119 19444
3007 1 12 . 1 1 98 98 ARG N N 98 128.515 128.515 128.861 -0.346 19444
3008 1 12 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.605 -0.017 19444
3009 1 12 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.827 -0.737 19444
3010 1 12 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.207 0.129 19444
3011 1 12 . 1 1 98 98 ARG H H 98 8.898 8.898 8.660 0.238 19444
3012 1 12 . 1 1 99 99 LEU N N 99 127.834 127.834 123.918 3.916 19444
3013 1 12 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.235 -0.639 19444
3014 1 12 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.089 0.489 19444
3015 1 12 . 1 1 99 99 LEU CB C 99 40.174 40.174 43.125 -2.951 19444
3016 1 12 . 1 1 99 99 LEU H H 99 8.362 8.362 8.237 0.125 19444
3017 1 12 . 1 1 100 100 ASP N N 100 127.038 127.038 126.866 0.172 19444
3018 1 12 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.886 -0.174 19444
3019 1 12 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.265 -1.251 19444
3020 1 12 . 1 1 100 100 ASP CB C 100 41.398 41.398 42.259 -0.861 19444
3021 1 12 . 1 1 100 100 ASP H H 100 7.998 7.998 8.510 -0.512 19444
3022 1 12 . 1 1 101 101 MET N N 101 122.551 122.551 118.204 4.347 19444
3023 1 12 . 1 1 101 101 MET HA H 101 4.533 4.533 4.781 -0.248 19444
3024 1 12 . 1 1 101 101 MET CA C 101 53.583 53.583 55.199 -1.616 19444
3025 1 12 . 1 1 101 101 MET CB C 101 33.400 33.400 34.104 -0.704 19444
3026 1 12 . 1 1 101 101 MET H H 101 8.761 8.761 7.947 0.814 19444
3027 1 12 . 1 1 102 102 SER N N 102 116.261 116.261 119.280 -3.019 19444
3028 1 12 . 1 1 102 102 SER HA H 102 4.191 4.191 4.344 -0.153 19444
3029 1 12 . 1 1 102 102 SER CA C 102 58.655 58.655 58.869 -0.214 19444
3030 1 12 . 1 1 102 102 SER CB C 102 64.764 64.764 64.511 0.253 19444
3031 1 12 . 1 1 102 102 SER H H 102 8.212 8.212 8.005 0.207 19444
3032 1 12 . 1 1 103 103 ASP N N 103 121.700 121.700 124.673 -2.973 19444
3033 1 12 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.104 -0.291 19444
3034 1 12 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.849 -0.382 19444
3035 1 12 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.429 -1.645 19444
3036 1 12 . 1 1 103 103 ASP H H 103 8.791 8.791 8.896 -0.105 19444
3037 1 12 . 1 1 104 104 LYS N N 104 116.308 116.308 119.376 -3.068 19444
3038 1 12 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.285 -0.504 19444
3039 1 12 . 1 1 104 104 LYS CA C 104 59.839 59.839 59.211 0.628 19444
3040 1 12 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.804 0.368 19444
3041 1 12 . 1 1 104 104 LYS H H 104 7.886 7.886 8.535 -0.649 19444
3042 1 12 . 1 1 105 105 ALA N N 105 122.364 122.364 122.490 -0.126 19444
3043 1 12 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.170 -0.210 19444
3044 1 12 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.889 0.149 19444
3045 1 12 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.054 -0.113 19444
3046 1 12 . 1 1 105 105 ALA H H 105 7.343 7.343 7.609 -0.266 19444
3047 1 12 . 1 1 106 106 ILE N N 106 119.713 119.713 119.403 0.310 19444
3048 1 12 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.628 -0.150 19444
3049 1 12 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.587 0.611 19444
3050 1 12 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.635 -0.112 19444
3051 1 12 . 1 1 106 106 ILE H H 106 8.124 8.124 8.026 0.098 19444
3052 1 12 . 1 1 107 107 PHE N N 107 117.557 117.557 118.461 -0.904 19444
3053 1 12 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.587 -0.141 19444
3054 1 12 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.466 -2.539 19444
3055 1 12 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.951 -0.687 19444
3056 1 12 . 1 1 107 107 PHE H H 107 8.448 8.448 8.251 0.197 19444
3057 1 12 . 1 1 108 108 ARG N N 108 117.407 117.407 118.454 -1.047 19444
3058 1 12 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.237 -0.154 19444
3059 1 12 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.040 0.589 19444
3060 1 12 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.929 0.531 19444
3061 1 12 . 1 1 108 108 ARG H H 108 7.568 7.568 8.209 -0.641 19444
3062 1 12 . 1 1 109 109 ARG N N 109 117.561 117.561 117.272 0.289 19444
3063 1 12 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.150 -0.152 19444
3064 1 12 . 1 1 109 109 ARG CA C 109 57.555 57.555 57.496 0.059 19444
3065 1 12 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.143 0.444 19444
3066 1 12 . 1 1 109 109 ARG H H 109 7.281 7.281 8.055 -0.774 19444
3067 1 12 . 1 1 110 110 TYR N N 110 116.115 116.115 117.609 -1.494 19444
3068 1 12 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.097 0.231 19444
3069 1 12 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.315 -0.813 19444
3070 1 12 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.500 -1.011 19444
3071 1 12 . 1 1 110 110 TYR H H 110 8.877 8.877 8.269 0.608 19444
3072 1 12 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.658 -0.179 19444
3073 1 12 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.379 0.414 19444
3074 1 12 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.185 -0.514 19444
3075 1 12 . 1 1 112 112 HIS N N 112 116.277 116.277 116.974 -0.697 19444
3076 1 12 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.502 -0.070 19444
3077 1 12 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.558 0.916 19444
3078 1 12 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.988 0.834 19444
3079 1 12 . 1 1 112 112 HIS H H 112 8.300 8.300 8.518 -0.218 19444
3080 1 12 . 1 1 113 113 LEU N N 113 120.770 120.770 119.665 1.105 19444
3081 1 12 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.114 -0.013 19444
3082 1 12 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.361 -1.157 19444
3083 1 12 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.425 1.452 19444
3084 1 12 . 1 1 113 113 LEU H H 113 7.518 7.518 7.155 0.363 19444
3085 1 13 . 1 1 59 59 ALA N N 59 123.352 123.352 125.445 -2.093 19444
3086 1 13 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.652 -0.368 19444
3087 1 13 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.768 0.528 19444
3088 1 13 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.966 -1.333 19444
3089 1 13 . 1 1 59 59 ALA H H 59 7.997 7.997 8.333 -0.336 19444
3090 1 13 . 1 1 60 60 LEU N N 60 120.985 120.985 121.013 -0.028 19444
3091 1 13 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.443 0.010 19444
3092 1 13 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.648 -0.361 19444
3093 1 13 . 1 1 60 60 LEU CB C 60 43.255 43.255 42.728 0.527 19444
3094 1 13 . 1 1 60 60 LEU H H 60 8.169 8.169 8.346 -0.177 19444
3095 1 13 . 1 1 61 61 ALA N N 61 125.303 125.303 124.132 1.171 19444
3096 1 13 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.620 -0.123 19444
3097 1 13 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.804 0.423 19444
3098 1 13 . 1 1 61 61 ALA CB C 61 20.176 20.176 21.137 -0.961 19444
3099 1 13 . 1 1 61 61 ALA H H 61 8.445 8.445 8.139 0.306 19444
3100 1 13 . 1 1 62 62 ALA N N 62 127.804 127.804 126.445 1.359 19444
3101 1 13 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.647 -0.331 19444
3102 1 13 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.252 0.757 19444
3103 1 13 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.853 -0.868 19444
3104 1 13 . 1 1 62 62 ALA H H 62 8.583 8.583 9.075 -0.492 19444
3105 1 13 . 1 1 63 63 LEU N N 63 120.096 120.096 121.552 -1.456 19444
3106 1 13 . 1 1 63 63 LEU HA H 63 4.884 4.884 5.007 -0.123 19444
3107 1 13 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.770 -0.878 19444
3108 1 13 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.420 -1.288 19444
3109 1 13 . 1 1 63 63 LEU H H 63 8.077 8.077 8.258 -0.181 19444
3110 1 13 . 1 1 64 64 HIS N N 64 122.245 122.245 118.875 3.370 19444
3111 1 13 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.599 -0.359 19444
3112 1 13 . 1 1 64 64 HIS CA C 64 58.026 58.026 56.964 1.062 19444
3113 1 13 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.341 -0.003 19444
3114 1 13 . 1 1 64 64 HIS H H 64 8.629 8.629 8.645 -0.016 19444
3115 1 13 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.286 0.064 19444
3116 1 13 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.221 0.127 19444
3117 1 13 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.673 0.045 19444
3118 1 13 . 1 1 66 66 ASP N N 66 115.211 115.211 114.947 0.264 19444
3119 1 13 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.730 -0.041 19444
3120 1 13 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.253 -0.731 19444
3121 1 13 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.805 -0.054 19444
3122 1 13 . 1 1 66 66 ASP H H 66 7.869 7.869 7.791 0.078 19444
3123 1 13 . 1 1 67 67 GLY N N 67 105.349 105.349 109.793 -4.444 19444
3124 1 13 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.057 0.209 19444
3125 1 13 . 1 1 67 67 GLY H H 67 8.441 8.441 8.377 0.064 19444
3126 1 13 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.249 -0.130 19444
3127 1 13 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.021 -0.817 19444
3128 1 13 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.615 -0.094 19444
3129 1 13 . 1 1 69 69 HIS N N 69 116.893 116.893 115.378 1.515 19444
3130 1 13 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.728 -0.043 19444
3131 1 13 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.640 0.346 19444
3132 1 13 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.314 0.163 19444
3133 1 13 . 1 1 69 69 HIS H H 69 8.503 8.503 8.162 0.341 19444
3134 1 13 . 1 1 70 70 ALA N N 70 120.705 120.705 122.011 -1.306 19444
3135 1 13 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.120 -0.553 19444
3136 1 13 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.677 0.102 19444
3137 1 13 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.297 -0.096 19444
3138 1 13 . 1 1 70 70 ALA H H 70 6.892 6.892 7.479 -0.587 19444
3139 1 13 . 1 1 71 71 GLY N N 71 109.407 109.407 113.755 -4.348 19444
3140 1 13 . 1 1 71 71 GLY CA C 71 45.346 45.346 44.999 0.346 19444
3141 1 13 . 1 1 71 71 GLY H H 71 9.144 9.144 9.016 0.128 19444
3142 1 13 . 1 1 72 72 LEU N N 72 119.969 119.969 121.876 -1.907 19444
3143 1 13 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.727 0.133 19444
3144 1 13 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.477 -0.401 19444
3145 1 13 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.729 -0.265 19444
3146 1 13 . 1 1 72 72 LEU H H 72 8.255 8.255 8.086 0.169 19444
3147 1 13 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.685 0.153 19444
3148 1 13 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.708 -1.198 19444
3149 1 13 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.219 -0.812 19444
3150 1 13 . 1 1 74 74 VAL N N 74 121.438 121.438 120.390 1.048 19444
3151 1 13 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.946 -0.457 19444
3152 1 13 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.089 1.564 19444
3153 1 13 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.145 -0.822 19444
3154 1 13 . 1 1 74 74 VAL H H 74 7.729 7.729 8.312 -0.583 19444
3155 1 13 . 1 1 75 75 THR N N 75 108.826 108.826 110.118 -1.292 19444
3156 1 13 . 1 1 75 75 THR HA H 75 5.015 5.015 4.597 0.418 19444
3157 1 13 . 1 1 75 75 THR CA C 75 59.822 59.822 59.283 0.539 19444
3158 1 13 . 1 1 75 75 THR CB C 75 74.087 74.087 71.868 2.220 19444
3159 1 13 . 1 1 75 75 THR H H 75 8.763 8.763 8.230 0.533 19444
3160 1 13 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.779 0.151 19444
3161 1 13 . 1 1 77 77 SER N N 77 114.493 114.493 114.793 -0.300 19444
3162 1 13 . 1 1 77 77 SER HA H 77 4.133 4.133 4.081 0.052 19444
3163 1 13 . 1 1 77 77 SER CA C 77 60.600 60.600 62.103 -1.504 19444
3164 1 13 . 1 1 77 77 SER CB C 77 62.378 62.378 62.752 -0.374 19444
3165 1 13 . 1 1 77 77 SER H H 77 8.231 8.231 8.304 -0.073 19444
3166 1 13 . 1 1 78 78 ASP N N 78 120.698 120.698 122.401 -1.703 19444
3167 1 13 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.304 0.104 19444
3168 1 13 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.405 0.674 19444
3169 1 13 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.385 2.949 19444
3170 1 13 . 1 1 78 78 ASP H H 78 7.388 7.388 8.023 -0.635 19444
3171 1 13 . 1 1 79 79 ALA N N 79 120.570 120.570 122.643 -2.073 19444
3172 1 13 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.869 -0.145 19444
3173 1 13 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.102 -0.201 19444
3174 1 13 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.219 1.527 19444
3175 1 13 . 1 1 79 79 ALA H H 79 7.873 7.873 8.253 -0.380 19444
3176 1 13 . 1 1 80 80 ARG N N 80 116.347 116.347 119.192 -2.845 19444
3177 1 13 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.025 -0.217 19444
3178 1 13 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.495 2.072 19444
3179 1 13 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.332 0.099 19444
3180 1 13 . 1 1 80 80 ARG H H 80 8.117 8.117 8.161 -0.044 19444
3181 1 13 . 1 1 81 81 VAL N N 81 119.158 119.158 120.239 -1.081 19444
3182 1 13 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.901 -0.233 19444
3183 1 13 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.691 0.222 19444
3184 1 13 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.747 0.025 19444
3185 1 13 . 1 1 81 81 VAL H H 81 7.373 7.373 8.420 -1.047 19444
3186 1 13 . 1 1 82 82 LEU N N 82 118.515 118.515 121.447 -2.932 19444
3187 1 13 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.882 0.230 19444
3188 1 13 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.639 -0.384 19444
3189 1 13 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.610 -0.106 19444
3190 1 13 . 1 1 82 82 LEU H H 82 7.589 7.589 8.277 -0.688 19444
3191 1 13 . 1 1 83 83 ILE N N 83 121.181 121.181 119.499 1.682 19444
3192 1 13 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.688 0.086 19444
3193 1 13 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.756 0.075 19444
3194 1 13 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.993 0.595 19444
3195 1 13 . 1 1 83 83 ILE H H 83 8.755 8.755 8.244 0.511 19444
3196 1 13 . 1 1 84 84 PHE N N 84 123.192 123.192 120.503 2.689 19444
3197 1 13 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.164 -0.002 19444
3198 1 13 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.157 0.499 19444
3199 1 13 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.185 -0.122 19444
3200 1 13 . 1 1 84 84 PHE H H 84 8.683 8.683 8.803 -0.120 19444
3201 1 13 . 1 1 85 85 ASN N N 85 118.056 118.056 117.330 0.726 19444
3202 1 13 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.253 0.212 19444
3203 1 13 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.728 -0.581 19444
3204 1 13 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.478 -0.575 19444
3205 1 13 . 1 1 85 85 ASN H H 85 8.892 8.892 8.574 0.318 19444
3206 1 13 . 1 1 86 86 ASP N N 86 120.374 120.374 121.205 -0.831 19444
3207 1 13 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.352 0.100 19444
3208 1 13 . 1 1 86 86 ASP CA C 86 57.297 57.297 58.061 -0.764 19444
3209 1 13 . 1 1 86 86 ASP CB C 86 42.267 42.267 41.027 1.240 19444
3210 1 13 . 1 1 86 86 ASP H H 86 8.146 8.146 8.293 -0.147 19444
3211 1 13 . 1 1 87 87 TRP N N 87 121.401 121.401 121.733 -0.332 19444
3212 1 13 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.131 -0.174 19444
3213 1 13 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.467 0.320 19444
3214 1 13 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.535 -1.589 19444
3215 1 13 . 1 1 87 87 TRP H H 87 8.121 8.121 8.426 -0.305 19444
3216 1 13 . 1 1 88 88 GLU N N 88 117.779 117.779 118.440 -0.661 19444
3217 1 13 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.087 -0.141 19444
3218 1 13 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.430 0.240 19444
3219 1 13 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.759 0.780 19444
3220 1 13 . 1 1 88 88 GLU H H 88 8.613 8.613 8.359 0.254 19444
3221 1 13 . 1 1 89 89 GLU N N 89 116.209 116.209 119.671 -3.462 19444
3222 1 13 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.871 0.130 19444
3223 1 13 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.448 -0.958 19444
3224 1 13 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.527 0.361 19444
3225 1 13 . 1 1 89 89 GLU H H 89 7.456 7.456 7.899 -0.443 19444
3226 1 13 . 1 1 90 90 ARG N N 90 119.957 119.957 117.696 2.261 19444
3227 1 13 . 1 1 90 90 ARG HA H 90 3.953 3.953 4.009 -0.056 19444
3228 1 13 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.660 -0.083 19444
3229 1 13 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.993 1.738 19444
3230 1 13 . 1 1 90 90 ARG H H 90 8.134 8.134 8.315 -0.181 19444
3231 1 13 . 1 1 91 91 LYS N N 91 118.871 118.871 120.413 -1.542 19444
3232 1 13 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.088 -0.416 19444
3233 1 13 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.159 -0.449 19444
3234 1 13 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.614 -1.109 19444
3235 1 13 . 1 1 91 91 LYS H H 91 8.325 8.325 8.086 0.239 19444
3236 1 13 . 1 1 92 92 ARG N N 92 117.453 117.453 119.168 -1.715 19444
3237 1 13 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.955 -0.080 19444
3238 1 13 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.827 0.054 19444
3239 1 13 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.221 -0.436 19444
3240 1 13 . 1 1 92 92 ARG H H 92 7.069 7.069 7.810 -0.741 19444
3241 1 13 . 1 1 93 93 SER N N 93 110.842 110.842 112.357 -1.515 19444
3242 1 13 . 1 1 93 93 SER HA H 93 4.513 4.513 4.309 0.204 19444
3243 1 13 . 1 1 93 93 SER CA C 93 58.762 58.762 59.327 -0.565 19444
3244 1 13 . 1 1 93 93 SER CB C 93 64.164 64.164 64.274 -0.110 19444
3245 1 13 . 1 1 93 93 SER H H 93 7.427 7.427 7.751 -0.324 19444
3246 1 13 . 1 1 94 94 GLU N N 94 121.732 121.732 121.270 0.462 19444
3247 1 13 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.120 -0.443 19444
3248 1 13 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.423 0.463 19444
3249 1 13 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.269 -0.215 19444
3250 1 13 . 1 1 94 94 GLU H H 94 7.629 7.629 7.822 -0.193 19444
3251 1 13 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.413 -0.105 19444
3252 1 13 . 1 1 95 95 PRO CA C 95 64.631 64.631 63.611 1.020 19444
3253 1 13 . 1 1 95 95 PRO CB C 95 31.484 31.484 32.003 -0.519 19444
3254 1 13 . 1 1 96 96 TRP N N 96 115.321 115.321 116.287 -0.966 19444
3255 1 13 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.735 -0.080 19444
3256 1 13 . 1 1 96 96 TRP CA C 96 56.766 56.766 55.218 1.548 19444
3257 1 13 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.615 -0.599 19444
3258 1 13 . 1 1 96 96 TRP H H 96 6.840 6.840 6.758 0.082 19444
3259 1 13 . 1 1 97 97 LEU N N 97 125.159 125.159 123.753 1.406 19444
3260 1 13 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.417 -0.240 19444
3261 1 13 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.799 1.300 19444
3262 1 13 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.262 0.966 19444
3263 1 13 . 1 1 97 97 LEU H H 97 7.287 7.287 7.159 0.128 19444
3264 1 13 . 1 1 98 98 ARG N N 98 128.515 128.515 127.952 0.563 19444
3265 1 13 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.567 0.021 19444
3266 1 13 . 1 1 98 98 ARG CA C 98 55.090 55.090 56.071 -0.981 19444
3267 1 13 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.564 -0.227 19444
3268 1 13 . 1 1 98 98 ARG H H 98 8.898 8.898 8.633 0.265 19444
3269 1 13 . 1 1 99 99 LEU N N 99 127.834 127.834 126.428 1.406 19444
3270 1 13 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.311 -0.715 19444
3271 1 13 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.263 0.315 19444
3272 1 13 . 1 1 99 99 LEU CB C 99 40.174 40.174 42.370 -2.196 19444
3273 1 13 . 1 1 99 99 LEU H H 99 8.362 8.362 8.467 -0.105 19444
3274 1 13 . 1 1 100 100 ASP N N 100 127.038 127.038 126.502 0.536 19444
3275 1 13 . 1 1 100 100 ASP HA H 100 4.712 4.712 5.278 -0.566 19444
3276 1 13 . 1 1 100 100 ASP CA C 100 53.014 53.014 53.916 -0.902 19444
3277 1 13 . 1 1 100 100 ASP CB C 100 41.398 41.398 43.158 -1.760 19444
3278 1 13 . 1 1 100 100 ASP H H 100 7.998 7.998 8.480 -0.482 19444
3279 1 13 . 1 1 101 101 MET N N 101 122.551 122.551 120.521 2.030 19444
3280 1 13 . 1 1 101 101 MET HA H 101 4.533 4.533 4.767 -0.234 19444
3281 1 13 . 1 1 101 101 MET CA C 101 53.583 53.583 54.971 -1.388 19444
3282 1 13 . 1 1 101 101 MET CB C 101 33.400 33.400 33.212 0.188 19444
3283 1 13 . 1 1 101 101 MET H H 101 8.761 8.761 8.420 0.341 19444
3284 1 13 . 1 1 102 102 SER N N 102 116.261 116.261 117.559 -1.298 19444
3285 1 13 . 1 1 102 102 SER HA H 102 4.191 4.191 4.455 -0.264 19444
3286 1 13 . 1 1 102 102 SER CA C 102 58.655 58.655 58.237 0.418 19444
3287 1 13 . 1 1 102 102 SER CB C 102 64.764 64.764 65.063 -0.299 19444
3288 1 13 . 1 1 102 102 SER H H 102 8.212 8.212 8.299 -0.087 19444
3289 1 13 . 1 1 103 103 ASP N N 103 121.700 121.700 123.112 -1.412 19444
3290 1 13 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.040 -0.227 19444
3291 1 13 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.764 -0.296 19444
3292 1 13 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.173 -1.389 19444
3293 1 13 . 1 1 103 103 ASP H H 103 8.791 8.791 8.925 -0.134 19444
3294 1 13 . 1 1 104 104 LYS N N 104 116.308 116.308 119.569 -3.261 19444
3295 1 13 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.166 -0.385 19444
3296 1 13 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.811 1.028 19444
3297 1 13 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.861 0.311 19444
3298 1 13 . 1 1 104 104 LYS H H 104 7.886 7.886 8.134 -0.248 19444
3299 1 13 . 1 1 105 105 ALA N N 105 122.364 122.364 122.404 -0.040 19444
3300 1 13 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.038 -0.078 19444
3301 1 13 . 1 1 105 105 ALA CA C 105 55.038 55.038 55.174 -0.136 19444
3302 1 13 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.298 -0.357 19444
3303 1 13 . 1 1 105 105 ALA H H 105 7.343 7.343 7.940 -0.597 19444
3304 1 13 . 1 1 106 106 ILE N N 106 119.713 119.713 119.451 0.262 19444
3305 1 13 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.637 -0.159 19444
3306 1 13 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.626 0.572 19444
3307 1 13 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.697 -0.174 19444
3308 1 13 . 1 1 106 106 ILE H H 106 8.124 8.124 8.117 0.007 19444
3309 1 13 . 1 1 107 107 PHE N N 107 117.557 117.557 118.876 -1.319 19444
3310 1 13 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.593 -0.147 19444
3311 1 13 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.112 -2.185 19444
3312 1 13 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.913 -0.649 19444
3313 1 13 . 1 1 107 107 PHE H H 107 8.448 8.448 8.208 0.240 19444
3314 1 13 . 1 1 108 108 ARG N N 108 117.407 117.407 118.453 -1.046 19444
3315 1 13 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.211 -0.128 19444
3316 1 13 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.248 0.381 19444
3317 1 13 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.951 0.509 19444
3318 1 13 . 1 1 108 108 ARG H H 108 7.568 7.568 8.427 -0.859 19444
3319 1 13 . 1 1 109 109 ARG N N 109 117.561 117.561 118.178 -0.617 19444
3320 1 13 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.147 -0.149 19444
3321 1 13 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.311 -0.756 19444
3322 1 13 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.570 0.017 19444
3323 1 13 . 1 1 109 109 ARG H H 109 7.281 7.281 7.899 -0.618 19444
3324 1 13 . 1 1 110 110 TYR N N 110 116.115 116.115 117.676 -1.561 19444
3325 1 13 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.106 0.222 19444
3326 1 13 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.065 -0.563 19444
3327 1 13 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.496 -1.008 19444
3328 1 13 . 1 1 110 110 TYR H H 110 8.877 8.877 8.295 0.582 19444
3329 1 13 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.621 -0.142 19444
3330 1 13 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.383 0.410 19444
3331 1 13 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.202 -0.531 19444
3332 1 13 . 1 1 112 112 HIS N N 112 116.277 116.277 116.725 -0.448 19444
3333 1 13 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.503 -0.071 19444
3334 1 13 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.538 0.935 19444
3335 1 13 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.998 0.823 19444
3336 1 13 . 1 1 112 112 HIS H H 112 8.300 8.300 8.497 -0.197 19444
3337 1 13 . 1 1 113 113 LEU N N 113 120.770 120.770 119.794 0.976 19444
3338 1 13 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.146 -0.045 19444
3339 1 13 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.281 -1.078 19444
3340 1 13 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.528 1.349 19444
3341 1 13 . 1 1 113 113 LEU H H 113 7.518 7.518 7.156 0.362 19444
3342 1 14 . 1 1 59 59 ALA N N 59 123.352 123.352 122.291 1.061 19444
3343 1 14 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.720 -0.436 19444
3344 1 14 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.764 0.532 19444
3345 1 14 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.358 -0.725 19444
3346 1 14 . 1 1 59 59 ALA H H 59 7.997 7.997 7.907 0.090 19444
3347 1 14 . 1 1 60 60 LEU N N 60 120.985 120.985 121.345 -0.360 19444
3348 1 14 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.473 -0.020 19444
3349 1 14 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.537 -0.250 19444
3350 1 14 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.245 0.011 19444
3351 1 14 . 1 1 60 60 LEU H H 60 8.169 8.169 8.334 -0.165 19444
3352 1 14 . 1 1 61 61 ALA N N 61 125.303 125.303 124.487 0.816 19444
3353 1 14 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.512 -0.015 19444
3354 1 14 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.981 0.246 19444
3355 1 14 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.127 0.049 19444
3356 1 14 . 1 1 61 61 ALA H H 61 8.445 8.445 8.164 0.281 19444
3357 1 14 . 1 1 62 62 ALA N N 62 127.804 127.804 126.707 1.097 19444
3358 1 14 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.668 -0.352 19444
3359 1 14 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.133 0.876 19444
3360 1 14 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.918 -0.933 19444
3361 1 14 . 1 1 62 62 ALA H H 62 8.583 8.583 9.028 -0.445 19444
3362 1 14 . 1 1 63 63 LEU N N 63 120.096 120.096 121.883 -1.787 19444
3363 1 14 . 1 1 63 63 LEU HA H 63 4.884 4.884 5.005 -0.121 19444
3364 1 14 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.833 -0.941 19444
3365 1 14 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.322 -1.190 19444
3366 1 14 . 1 1 63 63 LEU H H 63 8.077 8.077 8.320 -0.243 19444
3367 1 14 . 1 1 64 64 HIS N N 64 122.245 122.245 118.876 3.369 19444
3368 1 14 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.579 -0.339 19444
3369 1 14 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.135 0.892 19444
3370 1 14 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.482 -0.144 19444
3371 1 14 . 1 1 64 64 HIS H H 64 8.629 8.629 8.715 -0.086 19444
3372 1 14 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.361 -0.011 19444
3373 1 14 . 1 1 65 65 ALA CA C 65 53.349 53.349 52.810 0.539 19444
3374 1 14 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.769 -0.051 19444
3375 1 14 . 1 1 66 66 ASP N N 66 115.211 115.211 115.887 -0.676 19444
3376 1 14 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.775 -0.086 19444
3377 1 14 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.472 -0.950 19444
3378 1 14 . 1 1 66 66 ASP CB C 66 42.751 42.751 44.162 -1.411 19444
3379 1 14 . 1 1 66 66 ASP H H 66 7.869 7.869 7.885 -0.016 19444
3380 1 14 . 1 1 67 67 GLY N N 67 105.349 105.349 108.907 -3.558 19444
3381 1 14 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.045 0.221 19444
3382 1 14 . 1 1 67 67 GLY H H 67 8.441 8.441 8.395 0.046 19444
3383 1 14 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.250 -0.131 19444
3384 1 14 . 1 1 68 68 PRO CA C 68 64.204 64.204 64.992 -0.788 19444
3385 1 14 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.607 -0.086 19444
3386 1 14 . 1 1 69 69 HIS N N 69 116.893 116.893 115.369 1.524 19444
3387 1 14 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.720 -0.035 19444
3388 1 14 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.657 0.329 19444
3389 1 14 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.333 0.144 19444
3390 1 14 . 1 1 69 69 HIS H H 69 8.503 8.503 8.105 0.398 19444
3391 1 14 . 1 1 70 70 ALA N N 70 120.705 120.705 121.984 -1.279 19444
3392 1 14 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.103 -0.536 19444
3393 1 14 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.687 0.092 19444
3394 1 14 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.297 -0.097 19444
3395 1 14 . 1 1 70 70 ALA H H 70 6.892 6.892 7.488 -0.596 19444
3396 1 14 . 1 1 71 71 GLY N N 71 109.407 109.407 112.539 -3.132 19444
3397 1 14 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.006 0.340 19444
3398 1 14 . 1 1 71 71 GLY H H 71 9.144 9.144 8.971 0.173 19444
3399 1 14 . 1 1 72 72 LEU N N 72 119.969 119.969 122.824 -2.855 19444
3400 1 14 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.668 0.192 19444
3401 1 14 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.133 -0.057 19444
3402 1 14 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.590 -0.126 19444
3403 1 14 . 1 1 72 72 LEU H H 72 8.255 8.255 8.119 0.136 19444
3404 1 14 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.638 0.200 19444
3405 1 14 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.778 -1.268 19444
3406 1 14 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.152 -0.745 19444
3407 1 14 . 1 1 74 74 VAL N N 74 121.438 121.438 120.816 0.622 19444
3408 1 14 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.869 -0.380 19444
3409 1 14 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.128 1.525 19444
3410 1 14 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.114 -0.791 19444
3411 1 14 . 1 1 74 74 VAL H H 74 7.729 7.729 8.348 -0.619 19444
3412 1 14 . 1 1 75 75 THR N N 75 108.826 108.826 110.645 -1.819 19444
3413 1 14 . 1 1 75 75 THR HA H 75 5.015 5.015 4.560 0.455 19444
3414 1 14 . 1 1 75 75 THR CA C 75 59.822 59.822 59.425 0.397 19444
3415 1 14 . 1 1 75 75 THR CB C 75 74.087 74.087 71.764 2.323 19444
3416 1 14 . 1 1 75 75 THR H H 75 8.763 8.763 8.294 0.469 19444
3417 1 14 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.823 0.107 19444
3418 1 14 . 1 1 77 77 SER N N 77 114.493 114.493 115.371 -0.878 19444
3419 1 14 . 1 1 77 77 SER HA H 77 4.133 4.133 4.097 0.036 19444
3420 1 14 . 1 1 77 77 SER CA C 77 60.600 60.600 62.218 -1.618 19444
3421 1 14 . 1 1 77 77 SER CB C 77 62.378 62.378 62.789 -0.412 19444
3422 1 14 . 1 1 77 77 SER H H 77 8.231 8.231 8.310 -0.079 19444
3423 1 14 . 1 1 78 78 ASP N N 78 120.698 120.698 122.174 -1.476 19444
3424 1 14 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.303 0.105 19444
3425 1 14 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.395 0.683 19444
3426 1 14 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.374 2.960 19444
3427 1 14 . 1 1 78 78 ASP H H 78 7.388 7.388 8.038 -0.650 19444
3428 1 14 . 1 1 79 79 ALA N N 79 120.570 120.570 122.689 -2.119 19444
3429 1 14 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.862 -0.139 19444
3430 1 14 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.122 -0.221 19444
3431 1 14 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.220 1.526 19444
3432 1 14 . 1 1 79 79 ALA H H 79 7.873 7.873 8.221 -0.348 19444
3433 1 14 . 1 1 80 80 ARG N N 80 116.347 116.347 119.191 -2.844 19444
3434 1 14 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.038 -0.230 19444
3435 1 14 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.420 2.147 19444
3436 1 14 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.367 0.064 19444
3437 1 14 . 1 1 80 80 ARG H H 80 8.117 8.117 7.989 0.128 19444
3438 1 14 . 1 1 81 81 VAL N N 81 119.158 119.158 120.224 -1.066 19444
3439 1 14 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.844 -0.176 19444
3440 1 14 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.990 -0.077 19444
3441 1 14 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.699 0.073 19444
3442 1 14 . 1 1 81 81 VAL H H 81 7.373 7.373 8.401 -1.028 19444
3443 1 14 . 1 1 82 82 LEU N N 82 118.515 118.515 121.332 -2.817 19444
3444 1 14 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.924 0.188 19444
3445 1 14 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.693 -0.438 19444
3446 1 14 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.827 -0.323 19444
3447 1 14 . 1 1 82 82 LEU H H 82 7.589 7.589 8.268 -0.679 19444
3448 1 14 . 1 1 83 83 ILE N N 83 121.181 121.181 119.379 1.802 19444
3449 1 14 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.670 0.104 19444
3450 1 14 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.883 -0.052 19444
3451 1 14 . 1 1 83 83 ILE CB C 83 38.588 38.588 38.030 0.558 19444
3452 1 14 . 1 1 83 83 ILE H H 83 8.755 8.755 8.228 0.527 19444
3453 1 14 . 1 1 84 84 PHE N N 84 123.192 123.192 120.165 3.027 19444
3454 1 14 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.149 0.013 19444
3455 1 14 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.382 0.274 19444
3456 1 14 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.172 -0.108 19444
3457 1 14 . 1 1 84 84 PHE H H 84 8.683 8.683 8.632 0.051 19444
3458 1 14 . 1 1 85 85 ASN N N 85 118.056 118.056 117.506 0.550 19444
3459 1 14 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.274 0.191 19444
3460 1 14 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.856 -0.709 19444
3461 1 14 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.458 -0.555 19444
3462 1 14 . 1 1 85 85 ASN H H 85 8.892 8.892 8.683 0.209 19444
3463 1 14 . 1 1 86 86 ASP N N 86 120.374 120.374 121.040 -0.666 19444
3464 1 14 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.401 0.051 19444
3465 1 14 . 1 1 86 86 ASP CA C 86 57.297 57.297 58.031 -0.733 19444
3466 1 14 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.931 1.336 19444
3467 1 14 . 1 1 86 86 ASP H H 86 8.146 8.146 8.309 -0.163 19444
3468 1 14 . 1 1 87 87 TRP N N 87 121.401 121.401 121.800 -0.399 19444
3469 1 14 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.138 -0.181 19444
3470 1 14 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.770 0.017 19444
3471 1 14 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.584 -1.638 19444
3472 1 14 . 1 1 87 87 TRP H H 87 8.121 8.121 8.558 -0.437 19444
3473 1 14 . 1 1 88 88 GLU N N 88 117.779 117.779 118.384 -0.605 19444
3474 1 14 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.120 -0.174 19444
3475 1 14 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.291 0.379 19444
3476 1 14 . 1 1 88 88 GLU CB C 88 29.540 29.540 29.128 0.412 19444
3477 1 14 . 1 1 88 88 GLU H H 88 8.613 8.613 8.412 0.201 19444
3478 1 14 . 1 1 89 89 GLU N N 89 116.209 116.209 120.214 -4.005 19444
3479 1 14 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.913 0.088 19444
3480 1 14 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.502 -1.012 19444
3481 1 14 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.550 0.338 19444
3482 1 14 . 1 1 89 89 GLU H H 89 7.456 7.456 8.040 -0.584 19444
3483 1 14 . 1 1 90 90 ARG N N 90 119.957 119.957 117.774 2.183 19444
3484 1 14 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.974 -0.021 19444
3485 1 14 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.824 -0.247 19444
3486 1 14 . 1 1 90 90 ARG CB C 90 31.731 31.731 30.188 1.543 19444
3487 1 14 . 1 1 90 90 ARG H H 90 8.134 8.134 8.160 -0.026 19444
3488 1 14 . 1 1 91 91 LYS N N 91 118.871 118.871 120.747 -1.876 19444
3489 1 14 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.019 -0.347 19444
3490 1 14 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.694 -0.984 19444
3491 1 14 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.668 -1.163 19444
3492 1 14 . 1 1 91 91 LYS H H 91 8.325 8.325 8.040 0.285 19444
3493 1 14 . 1 1 92 92 ARG N N 92 117.453 117.453 118.710 -1.257 19444
3494 1 14 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.920 -0.045 19444
3495 1 14 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.504 0.377 19444
3496 1 14 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.092 -0.307 19444
3497 1 14 . 1 1 92 92 ARG H H 92 7.069 7.069 7.772 -0.703 19444
3498 1 14 . 1 1 93 93 SER N N 93 110.842 110.842 113.803 -2.961 19444
3499 1 14 . 1 1 93 93 SER HA H 93 4.513 4.513 4.215 0.298 19444
3500 1 14 . 1 1 93 93 SER CA C 93 58.762 58.762 60.470 -1.708 19444
3501 1 14 . 1 1 93 93 SER CB C 93 64.164 64.164 63.913 0.251 19444
3502 1 14 . 1 1 93 93 SER H H 93 7.427 7.427 7.608 -0.181 19444
3503 1 14 . 1 1 94 94 GLU N N 94 121.732 121.732 118.584 3.148 19444
3504 1 14 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.052 -0.375 19444
3505 1 14 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.879 0.007 19444
3506 1 14 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.509 -0.455 19444
3507 1 14 . 1 1 94 94 GLU H H 94 7.629 7.629 7.761 -0.132 19444
3508 1 14 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.363 -0.055 19444
3509 1 14 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.230 0.401 19444
3510 1 14 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.841 -0.357 19444
3511 1 14 . 1 1 96 96 TRP N N 96 115.321 115.321 116.972 -1.651 19444
3512 1 14 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.819 -0.164 19444
3513 1 14 . 1 1 96 96 TRP CA C 96 56.766 56.766 53.431 3.335 19444
3514 1 14 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.335 -0.319 19444
3515 1 14 . 1 1 96 96 TRP H H 96 6.840 6.840 6.836 0.004 19444
3516 1 14 . 1 1 97 97 LEU N N 97 125.159 125.159 124.592 0.567 19444
3517 1 14 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.465 -0.288 19444
3518 1 14 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.044 2.055 19444
3519 1 14 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.506 0.722 19444
3520 1 14 . 1 1 97 97 LEU H H 97 7.287 7.287 7.429 -0.142 19444
3521 1 14 . 1 1 98 98 ARG N N 98 128.515 128.515 126.894 1.621 19444
3522 1 14 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.575 0.013 19444
3523 1 14 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.141 -0.050 19444
3524 1 14 . 1 1 98 98 ARG CB C 98 31.336 31.336 30.768 0.568 19444
3525 1 14 . 1 1 98 98 ARG H H 98 8.898 8.898 8.674 0.224 19444
3526 1 14 . 1 1 99 99 LEU N N 99 127.834 127.834 123.291 4.543 19444
3527 1 14 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.382 -0.786 19444
3528 1 14 . 1 1 99 99 LEU CA C 99 54.578 54.578 53.705 0.873 19444
3529 1 14 . 1 1 99 99 LEU CB C 99 40.174 40.174 44.258 -4.084 19444
3530 1 14 . 1 1 99 99 LEU H H 99 8.362 8.362 8.171 0.191 19444
3531 1 14 . 1 1 100 100 ASP N N 100 127.038 127.038 127.050 -0.012 19444
3532 1 14 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.957 -0.245 19444
3533 1 14 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.222 -1.208 19444
3534 1 14 . 1 1 100 100 ASP CB C 100 41.398 41.398 42.879 -1.481 19444
3535 1 14 . 1 1 100 100 ASP H H 100 7.998 7.998 8.537 -0.539 19444
3536 1 14 . 1 1 101 101 MET N N 101 122.551 122.551 119.239 3.312 19444
3537 1 14 . 1 1 101 101 MET HA H 101 4.533 4.533 4.670 -0.137 19444
3538 1 14 . 1 1 101 101 MET CA C 101 53.583 53.583 55.058 -1.475 19444
3539 1 14 . 1 1 101 101 MET CB C 101 33.400 33.400 33.870 -0.470 19444
3540 1 14 . 1 1 101 101 MET H H 101 8.761 8.761 8.052 0.709 19444
3541 1 14 . 1 1 102 102 SER N N 102 116.261 116.261 118.155 -1.894 19444
3542 1 14 . 1 1 102 102 SER HA H 102 4.191 4.191 4.389 -0.198 19444
3543 1 14 . 1 1 102 102 SER CA C 102 58.655 58.655 57.878 0.777 19444
3544 1 14 . 1 1 102 102 SER CB C 102 64.764 64.764 64.215 0.549 19444
3545 1 14 . 1 1 102 102 SER H H 102 8.212 8.212 7.929 0.283 19444
3546 1 14 . 1 1 103 103 ASP N N 103 121.700 121.700 122.490 -0.790 19444
3547 1 14 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.082 -0.269 19444
3548 1 14 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.651 -0.183 19444
3549 1 14 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.340 -1.556 19444
3550 1 14 . 1 1 103 103 ASP H H 103 8.791 8.791 8.861 -0.070 19444
3551 1 14 . 1 1 104 104 LYS N N 104 116.308 116.308 119.285 -2.977 19444
3552 1 14 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.349 -0.568 19444
3553 1 14 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.439 1.400 19444
3554 1 14 . 1 1 104 104 LYS CB C 104 32.172 32.172 32.029 0.143 19444
3555 1 14 . 1 1 104 104 LYS H H 104 7.886 7.886 8.453 -0.567 19444
3556 1 14 . 1 1 105 105 ALA N N 105 122.364 122.364 122.753 -0.389 19444
3557 1 14 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.158 -0.198 19444
3558 1 14 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.953 0.085 19444
3559 1 14 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.065 -0.124 19444
3560 1 14 . 1 1 105 105 ALA H H 105 7.343 7.343 7.537 -0.194 19444
3561 1 14 . 1 1 106 106 ILE N N 106 119.713 119.713 119.465 0.248 19444
3562 1 14 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.605 -0.127 19444
3563 1 14 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.674 0.523 19444
3564 1 14 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.660 -0.137 19444
3565 1 14 . 1 1 106 106 ILE H H 106 8.124 8.124 8.096 0.028 19444
3566 1 14 . 1 1 107 107 PHE N N 107 117.557 117.557 118.707 -1.150 19444
3567 1 14 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.565 -0.119 19444
3568 1 14 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.893 -2.966 19444
3569 1 14 . 1 1 107 107 PHE CB C 107 37.264 37.264 38.042 -0.778 19444
3570 1 14 . 1 1 107 107 PHE H H 107 8.448 8.448 8.074 0.374 19444
3571 1 14 . 1 1 108 108 ARG N N 108 117.407 117.407 118.509 -1.102 19444
3572 1 14 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.162 -0.079 19444
3573 1 14 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.782 -0.153 19444
3574 1 14 . 1 1 108 108 ARG CB C 108 30.460 30.460 30.291 0.168 19444
3575 1 14 . 1 1 108 108 ARG H H 108 7.568 7.568 8.173 -0.605 19444
3576 1 14 . 1 1 109 109 ARG N N 109 117.561 117.561 118.598 -1.037 19444
3577 1 14 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.148 -0.150 19444
3578 1 14 . 1 1 109 109 ARG CA C 109 57.555 57.555 57.762 -0.207 19444
3579 1 14 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.349 0.238 19444
3580 1 14 . 1 1 109 109 ARG H H 109 7.281 7.281 7.881 -0.600 19444
3581 1 14 . 1 1 110 110 TYR N N 110 116.115 116.115 118.062 -1.947 19444
3582 1 14 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.117 0.211 19444
3583 1 14 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.140 -0.638 19444
3584 1 14 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.163 -0.674 19444
3585 1 14 . 1 1 110 110 TYR H H 110 8.877 8.877 8.309 0.568 19444
3586 1 14 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.637 -0.158 19444
3587 1 14 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.355 0.438 19444
3588 1 14 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.179 -0.508 19444
3589 1 14 . 1 1 112 112 HIS N N 112 116.277 116.277 116.819 -0.542 19444
3590 1 14 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.506 -0.074 19444
3591 1 14 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.565 0.909 19444
3592 1 14 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.989 0.832 19444
3593 1 14 . 1 1 112 112 HIS H H 112 8.300 8.300 8.501 -0.201 19444
3594 1 14 . 1 1 113 113 LEU N N 113 120.770 120.770 119.595 1.175 19444
3595 1 14 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.233 -0.132 19444
3596 1 14 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.104 -0.901 19444
3597 1 14 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.362 1.515 19444
3598 1 14 . 1 1 113 113 LEU H H 113 7.518 7.518 7.198 0.320 19444
3599 1 15 . 1 1 59 59 ALA N N 59 123.352 123.352 123.300 0.052 19444
3600 1 15 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.498 -0.214 19444
3601 1 15 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.614 0.682 19444
3602 1 15 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.632 -0.999 19444
3603 1 15 . 1 1 59 59 ALA H H 59 7.997 7.997 8.165 -0.168 19444
3604 1 15 . 1 1 60 60 LEU N N 60 120.985 120.985 121.082 -0.097 19444
3605 1 15 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.444 0.009 19444
3606 1 15 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.751 -0.464 19444
3607 1 15 . 1 1 60 60 LEU CB C 60 43.255 43.255 42.651 0.604 19444
3608 1 15 . 1 1 60 60 LEU H H 60 8.169 8.169 8.346 -0.177 19444
3609 1 15 . 1 1 61 61 ALA N N 61 125.303 125.303 124.054 1.249 19444
3610 1 15 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.629 -0.132 19444
3611 1 15 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.925 0.302 19444
3612 1 15 . 1 1 61 61 ALA CB C 61 20.176 20.176 21.675 -1.499 19444
3613 1 15 . 1 1 61 61 ALA H H 61 8.445 8.445 8.092 0.353 19444
3614 1 15 . 1 1 62 62 ALA N N 62 127.804 127.804 126.125 1.679 19444
3615 1 15 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.672 -0.356 19444
3616 1 15 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.132 0.877 19444
3617 1 15 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.913 -0.928 19444
3618 1 15 . 1 1 62 62 ALA H H 62 8.583 8.583 9.061 -0.478 19444
3619 1 15 . 1 1 63 63 LEU N N 63 120.096 120.096 121.289 -1.193 19444
3620 1 15 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.992 -0.108 19444
3621 1 15 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.808 -0.916 19444
3622 1 15 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.398 -1.266 19444
3623 1 15 . 1 1 63 63 LEU H H 63 8.077 8.077 8.251 -0.174 19444
3624 1 15 . 1 1 64 64 HIS N N 64 122.245 122.245 118.858 3.387 19444
3625 1 15 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.592 -0.352 19444
3626 1 15 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.018 1.008 19444
3627 1 15 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.351 -0.013 19444
3628 1 15 . 1 1 64 64 HIS H H 64 8.629 8.629 8.655 -0.026 19444
3629 1 15 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.285 0.065 19444
3630 1 15 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.219 0.129 19444
3631 1 15 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.672 0.046 19444
3632 1 15 . 1 1 66 66 ASP N N 66 115.211 115.211 114.932 0.279 19444
3633 1 15 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.730 -0.041 19444
3634 1 15 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.253 -0.731 19444
3635 1 15 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.799 -0.048 19444
3636 1 15 . 1 1 66 66 ASP H H 66 7.869 7.869 7.790 0.079 19444
3637 1 15 . 1 1 67 67 GLY N N 67 105.349 105.349 109.779 -4.430 19444
3638 1 15 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.059 0.207 19444
3639 1 15 . 1 1 67 67 GLY H H 67 8.441 8.441 8.378 0.063 19444
3640 1 15 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.256 -0.137 19444
3641 1 15 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.005 -0.801 19444
3642 1 15 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.618 -0.097 19444
3643 1 15 . 1 1 69 69 HIS N N 69 116.893 116.893 115.417 1.476 19444
3644 1 15 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.728 -0.043 19444
3645 1 15 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.602 0.384 19444
3646 1 15 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.268 0.209 19444
3647 1 15 . 1 1 69 69 HIS H H 69 8.503 8.503 8.155 0.348 19444
3648 1 15 . 1 1 70 70 ALA N N 70 120.705 120.705 122.010 -1.305 19444
3649 1 15 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.113 -0.546 19444
3650 1 15 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.677 0.102 19444
3651 1 15 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.279 -0.079 19444
3652 1 15 . 1 1 70 70 ALA H H 70 6.892 6.892 7.482 -0.590 19444
3653 1 15 . 1 1 71 71 GLY N N 71 109.407 109.407 112.508 -3.101 19444
3654 1 15 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.008 0.339 19444
3655 1 15 . 1 1 71 71 GLY H H 71 9.144 9.144 8.969 0.175 19444
3656 1 15 . 1 1 72 72 LEU N N 72 119.969 119.969 122.676 -2.707 19444
3657 1 15 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.687 0.173 19444
3658 1 15 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.008 0.068 19444
3659 1 15 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.648 -0.184 19444
3660 1 15 . 1 1 72 72 LEU H H 72 8.255 8.255 8.213 0.042 19444
3661 1 15 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.697 0.141 19444
3662 1 15 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.747 -1.237 19444
3663 1 15 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.219 -0.812 19444
3664 1 15 . 1 1 74 74 VAL N N 74 121.438 121.438 119.814 1.624 19444
3665 1 15 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.965 -0.476 19444
3666 1 15 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.285 1.368 19444
3667 1 15 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.282 -0.959 19444
3668 1 15 . 1 1 74 74 VAL H H 74 7.729 7.729 8.240 -0.511 19444
3669 1 15 . 1 1 75 75 THR N N 75 108.826 108.826 109.688 -0.862 19444
3670 1 15 . 1 1 75 75 THR HA H 75 5.015 5.015 4.633 0.382 19444
3671 1 15 . 1 1 75 75 THR CA C 75 59.822 59.822 59.129 0.693 19444
3672 1 15 . 1 1 75 75 THR CB C 75 74.087 74.087 71.885 2.201 19444
3673 1 15 . 1 1 75 75 THR H H 75 8.763 8.763 8.228 0.535 19444
3674 1 15 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.820 0.110 19444
3675 1 15 . 1 1 77 77 SER N N 77 114.493 114.493 115.509 -1.016 19444
3676 1 15 . 1 1 77 77 SER HA H 77 4.133 4.133 4.079 0.054 19444
3677 1 15 . 1 1 77 77 SER CA C 77 60.600 60.600 62.123 -1.523 19444
3678 1 15 . 1 1 77 77 SER CB C 77 62.378 62.378 62.751 -0.373 19444
3679 1 15 . 1 1 77 77 SER H H 77 8.231 8.231 8.407 -0.176 19444
3680 1 15 . 1 1 78 78 ASP N N 78 120.698 120.698 122.603 -1.905 19444
3681 1 15 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.312 0.096 19444
3682 1 15 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.380 0.699 19444
3683 1 15 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.367 2.967 19444
3684 1 15 . 1 1 78 78 ASP H H 78 7.388 7.388 7.985 -0.597 19444
3685 1 15 . 1 1 79 79 ALA N N 79 120.570 120.570 122.630 -2.060 19444
3686 1 15 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.864 -0.140 19444
3687 1 15 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.121 -0.220 19444
3688 1 15 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.236 1.510 19444
3689 1 15 . 1 1 79 79 ALA H H 79 7.873 7.873 8.169 -0.296 19444
3690 1 15 . 1 1 80 80 ARG N N 80 116.347 116.347 119.101 -2.754 19444
3691 1 15 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.021 -0.213 19444
3692 1 15 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.483 2.084 19444
3693 1 15 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.365 0.066 19444
3694 1 15 . 1 1 80 80 ARG H H 80 8.117 8.117 8.195 -0.078 19444
3695 1 15 . 1 1 81 81 VAL N N 81 119.158 119.158 120.068 -0.910 19444
3696 1 15 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.837 -0.169 19444
3697 1 15 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.937 -0.024 19444
3698 1 15 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.698 0.074 19444
3699 1 15 . 1 1 81 81 VAL H H 81 7.373 7.373 8.255 -0.882 19444
3700 1 15 . 1 1 82 82 LEU N N 82 118.515 118.515 121.382 -2.867 19444
3701 1 15 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.872 0.240 19444
3702 1 15 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.591 -0.336 19444
3703 1 15 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.518 -0.014 19444
3704 1 15 . 1 1 82 82 LEU H H 82 7.589 7.589 8.346 -0.757 19444
3705 1 15 . 1 1 83 83 ILE N N 83 121.181 121.181 119.635 1.546 19444
3706 1 15 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.645 0.129 19444
3707 1 15 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.790 0.041 19444
3708 1 15 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.909 0.679 19444
3709 1 15 . 1 1 83 83 ILE H H 83 8.755 8.755 8.203 0.552 19444
3710 1 15 . 1 1 84 84 PHE N N 84 123.192 123.192 119.883 3.309 19444
3711 1 15 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.035 0.127 19444
3712 1 15 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.268 0.388 19444
3713 1 15 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.070 -0.006 19444
3714 1 15 . 1 1 84 84 PHE H H 84 8.683 8.683 8.645 0.038 19444
3715 1 15 . 1 1 85 85 ASN N N 85 118.056 118.056 117.496 0.560 19444
3716 1 15 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.306 0.159 19444
3717 1 15 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.292 -0.145 19444
3718 1 15 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.188 -0.285 19444
3719 1 15 . 1 1 85 85 ASN H H 85 8.892 8.892 8.632 0.260 19444
3720 1 15 . 1 1 86 86 ASP N N 86 120.374 120.374 121.211 -0.837 19444
3721 1 15 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.408 0.044 19444
3722 1 15 . 1 1 86 86 ASP CA C 86 57.297 57.297 58.156 -0.859 19444
3723 1 15 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.864 1.403 19444
3724 1 15 . 1 1 86 86 ASP H H 86 8.146 8.146 8.305 -0.159 19444
3725 1 15 . 1 1 87 87 TRP N N 87 121.401 121.401 121.785 -0.384 19444
3726 1 15 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.107 -0.150 19444
3727 1 15 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.419 0.368 19444
3728 1 15 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.498 -1.552 19444
3729 1 15 . 1 1 87 87 TRP H H 87 8.121 8.121 8.478 -0.357 19444
3730 1 15 . 1 1 88 88 GLU N N 88 117.779 117.779 118.701 -0.922 19444
3731 1 15 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.166 -0.220 19444
3732 1 15 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.460 0.210 19444
3733 1 15 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.761 0.779 19444
3734 1 15 . 1 1 88 88 GLU H H 88 8.613 8.613 8.266 0.347 19444
3735 1 15 . 1 1 89 89 GLU N N 89 116.209 116.209 119.571 -3.362 19444
3736 1 15 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.927 0.074 19444
3737 1 15 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.295 -0.805 19444
3738 1 15 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.478 0.410 19444
3739 1 15 . 1 1 89 89 GLU H H 89 7.456 7.456 7.911 -0.455 19444
3740 1 15 . 1 1 90 90 ARG N N 90 119.957 119.957 118.193 1.764 19444
3741 1 15 . 1 1 90 90 ARG HA H 90 3.953 3.953 4.004 -0.051 19444
3742 1 15 . 1 1 90 90 ARG CA C 90 58.577 58.577 57.494 1.083 19444
3743 1 15 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.725 2.006 19444
3744 1 15 . 1 1 90 90 ARG H H 90 8.134 8.134 8.231 -0.097 19444
3745 1 15 . 1 1 91 91 LYS N N 91 118.871 118.871 121.025 -2.154 19444
3746 1 15 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.034 -0.362 19444
3747 1 15 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.621 -0.911 19444
3748 1 15 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.650 -1.145 19444
3749 1 15 . 1 1 91 91 LYS H H 91 8.325 8.325 7.999 0.326 19444
3750 1 15 . 1 1 92 92 ARG N N 92 117.453 117.453 118.577 -1.124 19444
3751 1 15 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.974 -0.099 19444
3752 1 15 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.641 0.240 19444
3753 1 15 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.145 -0.360 19444
3754 1 15 . 1 1 92 92 ARG H H 92 7.069 7.069 7.841 -0.772 19444
3755 1 15 . 1 1 93 93 SER N N 93 110.842 110.842 113.727 -2.885 19444
3756 1 15 . 1 1 93 93 SER HA H 93 4.513 4.513 4.229 0.284 19444
3757 1 15 . 1 1 93 93 SER CA C 93 58.762 58.762 60.515 -1.753 19444
3758 1 15 . 1 1 93 93 SER CB C 93 64.164 64.164 63.923 0.241 19444
3759 1 15 . 1 1 93 93 SER H H 93 7.427 7.427 7.733 -0.306 19444
3760 1 15 . 1 1 94 94 GLU N N 94 121.732 121.732 118.738 2.994 19444
3761 1 15 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.034 -0.357 19444
3762 1 15 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.849 0.037 19444
3763 1 15 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.241 -0.186 19444
3764 1 15 . 1 1 94 94 GLU H H 94 7.629 7.629 7.766 -0.137 19444
3765 1 15 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.369 -0.061 19444
3766 1 15 . 1 1 95 95 PRO CA C 95 64.631 64.631 63.590 1.042 19444
3767 1 15 . 1 1 95 95 PRO CB C 95 31.484 31.484 32.127 -0.643 19444
3768 1 15 . 1 1 96 96 TRP N N 96 115.321 115.321 114.969 0.352 19444
3769 1 15 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.784 -0.129 19444
3770 1 15 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.964 1.802 19444
3771 1 15 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.980 -0.964 19444
3772 1 15 . 1 1 96 96 TRP H H 96 6.840 6.840 6.951 -0.111 19444
3773 1 15 . 1 1 97 97 LEU N N 97 125.159 125.159 124.009 1.150 19444
3774 1 15 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.436 -0.259 19444
3775 1 15 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.773 1.326 19444
3776 1 15 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.221 1.007 19444
3777 1 15 . 1 1 97 97 LEU H H 97 7.287 7.287 7.316 -0.029 19444
3778 1 15 . 1 1 98 98 ARG N N 98 128.515 128.515 127.463 1.052 19444
3779 1 15 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.665 -0.077 19444
3780 1 15 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.709 -0.619 19444
3781 1 15 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.443 -0.107 19444
3782 1 15 . 1 1 98 98 ARG H H 98 8.898 8.898 8.683 0.215 19444
3783 1 15 . 1 1 99 99 LEU N N 99 127.834 127.834 126.006 1.828 19444
3784 1 15 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.252 -0.656 19444
3785 1 15 . 1 1 99 99 LEU CA C 99 54.578 54.578 53.901 0.677 19444
3786 1 15 . 1 1 99 99 LEU CB C 99 40.174 40.174 41.835 -1.661 19444
3787 1 15 . 1 1 99 99 LEU H H 99 8.362 8.362 8.589 -0.227 19444
3788 1 15 . 1 1 100 100 ASP N N 100 127.038 127.038 126.623 0.415 19444
3789 1 15 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.847 -0.135 19444
3790 1 15 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.070 -1.056 19444
3791 1 15 . 1 1 100 100 ASP CB C 100 41.398 41.398 43.220 -1.822 19444
3792 1 15 . 1 1 100 100 ASP H H 100 7.998 7.998 8.451 -0.453 19444
3793 1 15 . 1 1 101 101 MET N N 101 122.551 122.551 119.533 3.018 19444
3794 1 15 . 1 1 101 101 MET HA H 101 4.533 4.533 4.617 -0.084 19444
3795 1 15 . 1 1 101 101 MET CA C 101 53.583 53.583 54.877 -1.294 19444
3796 1 15 . 1 1 101 101 MET CB C 101 33.400 33.400 33.302 0.098 19444
3797 1 15 . 1 1 101 101 MET H H 101 8.761 8.761 7.928 0.833 19444
3798 1 15 . 1 1 102 102 SER N N 102 116.261 116.261 117.012 -0.751 19444
3799 1 15 . 1 1 102 102 SER HA H 102 4.191 4.191 4.443 -0.252 19444
3800 1 15 . 1 1 102 102 SER CA C 102 58.655 58.655 57.489 1.166 19444
3801 1 15 . 1 1 102 102 SER CB C 102 64.764 64.764 65.141 -0.377 19444
3802 1 15 . 1 1 102 102 SER H H 102 8.212 8.212 7.957 0.255 19444
3803 1 15 . 1 1 103 103 ASP N N 103 121.700 121.700 124.173 -2.473 19444
3804 1 15 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.036 -0.223 19444
3805 1 15 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.383 0.085 19444
3806 1 15 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.505 -1.721 19444
3807 1 15 . 1 1 103 103 ASP H H 103 8.791 8.791 8.791 0.000 19444
3808 1 15 . 1 1 104 104 LYS N N 104 116.308 116.308 119.092 -2.784 19444
3809 1 15 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.219 -0.438 19444
3810 1 15 . 1 1 104 104 LYS CA C 104 59.839 59.839 59.290 0.549 19444
3811 1 15 . 1 1 104 104 LYS CB C 104 32.172 32.172 32.275 -0.103 19444
3812 1 15 . 1 1 104 104 LYS H H 104 7.886 7.886 7.645 0.241 19444
3813 1 15 . 1 1 105 105 ALA N N 105 122.364 122.364 122.866 -0.502 19444
3814 1 15 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.169 -0.209 19444
3815 1 15 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.769 0.269 19444
3816 1 15 . 1 1 105 105 ALA CB C 105 17.941 17.941 17.999 -0.058 19444
3817 1 15 . 1 1 105 105 ALA H H 105 7.343 7.343 7.362 -0.019 19444
3818 1 15 . 1 1 106 106 ILE N N 106 119.713 119.713 119.278 0.435 19444
3819 1 15 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.639 -0.161 19444
3820 1 15 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.668 0.530 19444
3821 1 15 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.729 -0.206 19444
3822 1 15 . 1 1 106 106 ILE H H 106 8.124 8.124 8.218 -0.094 19444
3823 1 15 . 1 1 107 107 PHE N N 107 117.557 117.557 119.128 -1.571 19444
3824 1 15 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.531 -0.085 19444
3825 1 15 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.048 -2.121 19444
3826 1 15 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.908 -0.644 19444
3827 1 15 . 1 1 107 107 PHE H H 107 8.448 8.448 8.090 0.358 19444
3828 1 15 . 1 1 108 108 ARG N N 108 117.407 117.407 118.234 -0.827 19444
3829 1 15 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.173 -0.090 19444
3830 1 15 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.390 0.239 19444
3831 1 15 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.991 0.469 19444
3832 1 15 . 1 1 108 108 ARG H H 108 7.568 7.568 8.363 -0.795 19444
3833 1 15 . 1 1 109 109 ARG N N 109 117.561 117.561 118.051 -0.490 19444
3834 1 15 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.147 -0.149 19444
3835 1 15 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.275 -0.720 19444
3836 1 15 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.615 -0.028 19444
3837 1 15 . 1 1 109 109 ARG H H 109 7.281 7.281 7.883 -0.602 19444
3838 1 15 . 1 1 110 110 TYR N N 110 116.115 116.115 117.623 -1.508 19444
3839 1 15 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.113 0.215 19444
3840 1 15 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.067 -0.565 19444
3841 1 15 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.379 -0.890 19444
3842 1 15 . 1 1 110 110 TYR H H 110 8.877 8.877 8.302 0.575 19444
3843 1 15 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.546 -0.067 19444
3844 1 15 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.406 0.387 19444
3845 1 15 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.117 -0.446 19444
3846 1 15 . 1 1 112 112 HIS N N 112 116.277 116.277 116.882 -0.605 19444
3847 1 15 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.472 -0.040 19444
3848 1 15 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.664 0.810 19444
3849 1 15 . 1 1 112 112 HIS CB C 112 28.821 28.821 28.056 0.765 19444
3850 1 15 . 1 1 112 112 HIS H H 112 8.300 8.300 8.458 -0.158 19444
3851 1 15 . 1 1 113 113 LEU N N 113 120.770 120.770 119.645 1.125 19444
3852 1 15 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.133 -0.032 19444
3853 1 15 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.258 -1.055 19444
3854 1 15 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.498 1.379 19444
3855 1 15 . 1 1 113 113 LEU H H 113 7.518 7.518 7.048 0.470 19444
3856 1 16 . 1 1 59 59 ALA N N 59 123.352 123.352 122.952 0.400 19444
3857 1 16 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.513 -0.229 19444
3858 1 16 . 1 1 59 59 ALA CA C 59 52.296 52.296 52.354 -0.058 19444
3859 1 16 . 1 1 59 59 ALA CB C 59 19.633 19.633 19.806 -0.173 19444
3860 1 16 . 1 1 59 59 ALA H H 59 7.997 7.997 7.806 0.191 19444
3861 1 16 . 1 1 60 60 LEU N N 60 120.985 120.985 120.551 0.434 19444
3862 1 16 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.471 -0.018 19444
3863 1 16 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.493 -0.206 19444
3864 1 16 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.587 -0.332 19444
3865 1 16 . 1 1 60 60 LEU H H 60 8.169 8.169 8.034 0.135 19444
3866 1 16 . 1 1 61 61 ALA N N 61 125.303 125.303 123.782 1.521 19444
3867 1 16 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.693 -0.196 19444
3868 1 16 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.818 0.409 19444
3869 1 16 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.742 -0.566 19444
3870 1 16 . 1 1 61 61 ALA H H 61 8.445 8.445 8.274 0.171 19444
3871 1 16 . 1 1 62 62 ALA N N 62 127.804 127.804 126.247 1.557 19444
3872 1 16 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.713 -0.397 19444
3873 1 16 . 1 1 62 62 ALA CA C 62 52.009 52.009 50.901 1.108 19444
3874 1 16 . 1 1 62 62 ALA CB C 62 18.985 18.985 20.102 -1.117 19444
3875 1 16 . 1 1 62 62 ALA H H 62 8.583 8.583 9.046 -0.463 19444
3876 1 16 . 1 1 63 63 LEU N N 63 120.096 120.096 121.166 -1.070 19444
3877 1 16 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.993 -0.109 19444
3878 1 16 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.847 -0.955 19444
3879 1 16 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.387 -1.255 19444
3880 1 16 . 1 1 63 63 LEU H H 63 8.077 8.077 8.284 -0.207 19444
3881 1 16 . 1 1 64 64 HIS N N 64 122.245 122.245 118.911 3.334 19444
3882 1 16 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.610 -0.370 19444
3883 1 16 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.000 1.026 19444
3884 1 16 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.424 -0.086 19444
3885 1 16 . 1 1 64 64 HIS H H 64 8.629 8.629 8.719 -0.090 19444
3886 1 16 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.356 -0.006 19444
3887 1 16 . 1 1 65 65 ALA CA C 65 53.349 53.349 52.892 0.457 19444
3888 1 16 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.757 -0.039 19444
3889 1 16 . 1 1 66 66 ASP N N 66 115.211 115.211 115.767 -0.556 19444
3890 1 16 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.778 -0.089 19444
3891 1 16 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.465 -0.943 19444
3892 1 16 . 1 1 66 66 ASP CB C 66 42.751 42.751 44.172 -1.421 19444
3893 1 16 . 1 1 66 66 ASP H H 66 7.869 7.869 7.892 -0.023 19444
3894 1 16 . 1 1 67 67 GLY N N 67 105.349 105.349 108.869 -3.520 19444
3895 1 16 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.021 0.245 19444
3896 1 16 . 1 1 67 67 GLY H H 67 8.441 8.441 8.392 0.049 19444
3897 1 16 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.251 -0.132 19444
3898 1 16 . 1 1 68 68 PRO CA C 68 64.204 64.204 64.999 -0.795 19444
3899 1 16 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.615 -0.094 19444
3900 1 16 . 1 1 69 69 HIS N N 69 116.893 116.893 115.407 1.486 19444
3901 1 16 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.734 -0.049 19444
3902 1 16 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.648 0.338 19444
3903 1 16 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.320 0.157 19444
3904 1 16 . 1 1 69 69 HIS H H 69 8.503 8.503 8.144 0.359 19444
3905 1 16 . 1 1 70 70 ALA N N 70 120.705 120.705 122.004 -1.299 19444
3906 1 16 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.106 -0.539 19444
3907 1 16 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.697 0.082 19444
3908 1 16 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.298 -0.098 19444
3909 1 16 . 1 1 70 70 ALA H H 70 6.892 6.892 7.487 -0.595 19444
3910 1 16 . 1 1 71 71 GLY N N 71 109.407 109.407 112.544 -3.137 19444
3911 1 16 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.010 0.336 19444
3912 1 16 . 1 1 71 71 GLY H H 71 9.144 9.144 8.974 0.170 19444
3913 1 16 . 1 1 72 72 LEU N N 72 119.969 119.969 122.802 -2.833 19444
3914 1 16 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.690 0.170 19444
3915 1 16 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.134 -0.058 19444
3916 1 16 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.583 -0.119 19444
3917 1 16 . 1 1 72 72 LEU H H 72 8.255 8.255 8.126 0.129 19444
3918 1 16 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.677 0.161 19444
3919 1 16 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.773 -1.264 19444
3920 1 16 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.196 -0.789 19444
3921 1 16 . 1 1 74 74 VAL N N 74 121.438 121.438 120.452 0.986 19444
3922 1 16 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.852 -0.363 19444
3923 1 16 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.202 1.451 19444
3924 1 16 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.107 -0.784 19444
3925 1 16 . 1 1 74 74 VAL H H 74 7.729 7.729 8.277 -0.548 19444
3926 1 16 . 1 1 75 75 THR N N 75 108.826 108.826 109.651 -0.825 19444
3927 1 16 . 1 1 75 75 THR HA H 75 5.015 5.015 4.611 0.404 19444
3928 1 16 . 1 1 75 75 THR CA C 75 59.822 59.822 59.232 0.590 19444
3929 1 16 . 1 1 75 75 THR CB C 75 74.087 74.087 71.836 2.251 19444
3930 1 16 . 1 1 75 75 THR H H 75 8.763 8.763 8.151 0.612 19444
3931 1 16 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.690 0.240 19444
3932 1 16 . 1 1 77 77 SER N N 77 114.493 114.493 114.026 0.467 19444
3933 1 16 . 1 1 77 77 SER HA H 77 4.133 4.133 4.178 -0.045 19444
3934 1 16 . 1 1 77 77 SER CA C 77 60.600 60.600 61.376 -0.776 19444
3935 1 16 . 1 1 77 77 SER CB C 77 62.378 62.378 62.661 -0.283 19444
3936 1 16 . 1 1 77 77 SER H H 77 8.231 8.231 8.314 -0.083 19444
3937 1 16 . 1 1 78 78 ASP N N 78 120.698 120.698 122.656 -1.958 19444
3938 1 16 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.329 0.080 19444
3939 1 16 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.370 0.709 19444
3940 1 16 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.363 2.971 19444
3941 1 16 . 1 1 78 78 ASP H H 78 7.388 7.388 8.013 -0.625 19444
3942 1 16 . 1 1 79 79 ALA N N 79 120.570 120.570 122.618 -2.048 19444
3943 1 16 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.836 -0.112 19444
3944 1 16 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.101 -0.200 19444
3945 1 16 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.211 1.535 19444
3946 1 16 . 1 1 79 79 ALA H H 79 7.873 7.873 8.312 -0.439 19444
3947 1 16 . 1 1 80 80 ARG N N 80 116.347 116.347 119.104 -2.757 19444
3948 1 16 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.037 -0.229 19444
3949 1 16 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.465 2.102 19444
3950 1 16 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.395 0.036 19444
3951 1 16 . 1 1 80 80 ARG H H 80 8.117 8.117 8.110 0.007 19444
3952 1 16 . 1 1 81 81 VAL N N 81 119.158 119.158 120.144 -0.986 19444
3953 1 16 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.855 -0.187 19444
3954 1 16 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.957 -0.044 19444
3955 1 16 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.728 0.044 19444
3956 1 16 . 1 1 81 81 VAL H H 81 7.373 7.373 8.243 -0.870 19444
3957 1 16 . 1 1 82 82 LEU N N 82 118.515 118.515 121.131 -2.616 19444
3958 1 16 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.920 0.192 19444
3959 1 16 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.606 -0.351 19444
3960 1 16 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.541 -0.037 19444
3961 1 16 . 1 1 82 82 LEU H H 82 7.589 7.589 8.315 -0.726 19444
3962 1 16 . 1 1 83 83 ILE N N 83 121.181 121.181 119.459 1.722 19444
3963 1 16 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.653 0.121 19444
3964 1 16 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.704 0.127 19444
3965 1 16 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.955 0.633 19444
3966 1 16 . 1 1 83 83 ILE H H 83 8.755 8.755 8.207 0.548 19444
3967 1 16 . 1 1 84 84 PHE N N 84 123.192 123.192 119.643 3.549 19444
3968 1 16 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.031 0.131 19444
3969 1 16 . 1 1 84 84 PHE CA C 84 62.656 62.656 61.852 0.804 19444
3970 1 16 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.153 -0.089 19444
3971 1 16 . 1 1 84 84 PHE H H 84 8.683 8.683 8.544 0.138 19444
3972 1 16 . 1 1 85 85 ASN N N 85 118.056 118.056 118.563 -0.507 19444
3973 1 16 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.463 0.002 19444
3974 1 16 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.228 -0.081 19444
3975 1 16 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.706 -0.804 19444
3976 1 16 . 1 1 85 85 ASN H H 85 8.892 8.892 8.621 0.271 19444
3977 1 16 . 1 1 86 86 ASP N N 86 120.374 120.374 121.955 -1.581 19444
3978 1 16 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.347 0.105 19444
3979 1 16 . 1 1 86 86 ASP CA C 86 57.297 57.297 58.100 -0.803 19444
3980 1 16 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.893 1.374 19444
3981 1 16 . 1 1 86 86 ASP H H 86 8.146 8.146 8.389 -0.243 19444
3982 1 16 . 1 1 87 87 TRP N N 87 121.401 121.401 121.406 -0.005 19444
3983 1 16 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.096 -0.139 19444
3984 1 16 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.895 -0.108 19444
3985 1 16 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.513 -1.567 19444
3986 1 16 . 1 1 87 87 TRP H H 87 8.121 8.121 8.253 -0.132 19444
3987 1 16 . 1 1 88 88 GLU N N 88 117.779 117.779 118.073 -0.294 19444
3988 1 16 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.188 -0.242 19444
3989 1 16 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.695 -0.025 19444
3990 1 16 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.918 0.622 19444
3991 1 16 . 1 1 88 88 GLU H H 88 8.613 8.613 8.389 0.224 19444
3992 1 16 . 1 1 89 89 GLU N N 89 116.209 116.209 119.717 -3.508 19444
3993 1 16 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.877 0.124 19444
3994 1 16 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.261 -0.771 19444
3995 1 16 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.502 0.386 19444
3996 1 16 . 1 1 89 89 GLU H H 89 7.456 7.456 7.919 -0.463 19444
3997 1 16 . 1 1 90 90 ARG N N 90 119.957 119.957 118.327 1.630 19444
3998 1 16 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.908 0.045 19444
3999 1 16 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.705 -0.128 19444
4000 1 16 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.858 1.873 19444
4001 1 16 . 1 1 90 90 ARG H H 90 8.134 8.134 8.423 -0.289 19444
4002 1 16 . 1 1 91 91 LYS N N 91 118.871 118.871 120.393 -1.522 19444
4003 1 16 . 1 1 91 91 LYS HA H 91 3.672 3.672 3.940 -0.268 19444
4004 1 16 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.652 -0.942 19444
4005 1 16 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.590 -1.085 19444
4006 1 16 . 1 1 91 91 LYS H H 91 8.325 8.325 8.080 0.245 19444
4007 1 16 . 1 1 92 92 ARG N N 92 117.453 117.453 118.452 -0.999 19444
4008 1 16 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.922 -0.047 19444
4009 1 16 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.470 0.411 19444
4010 1 16 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.103 -0.318 19444
4011 1 16 . 1 1 92 92 ARG H H 92 7.069 7.069 7.864 -0.795 19444
4012 1 16 . 1 1 93 93 SER N N 93 110.842 110.842 113.666 -2.824 19444
4013 1 16 . 1 1 93 93 SER HA H 93 4.513 4.513 4.244 0.269 19444
4014 1 16 . 1 1 93 93 SER CA C 93 58.762 58.762 60.308 -1.546 19444
4015 1 16 . 1 1 93 93 SER CB C 93 64.164 64.164 63.996 0.168 19444
4016 1 16 . 1 1 93 93 SER H H 93 7.427 7.427 7.694 -0.267 19444
4017 1 16 . 1 1 94 94 GLU N N 94 121.732 121.732 118.953 2.779 19444
4018 1 16 . 1 1 94 94 GLU HA H 94 3.677 3.677 3.999 -0.322 19444
4019 1 16 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.808 0.078 19444
4020 1 16 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.140 -0.086 19444
4021 1 16 . 1 1 94 94 GLU H H 94 7.629 7.629 7.670 -0.041 19444
4022 1 16 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.324 -0.016 19444
4023 1 16 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.213 0.418 19444
4024 1 16 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.795 -0.311 19444
4025 1 16 . 1 1 96 96 TRP N N 96 115.321 115.321 116.421 -1.100 19444
4026 1 16 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.688 -0.033 19444
4027 1 16 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.826 1.940 19444
4028 1 16 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.220 -0.204 19444
4029 1 16 . 1 1 96 96 TRP H H 96 6.840 6.840 6.905 -0.065 19444
4030 1 16 . 1 1 97 97 LEU N N 97 125.159 125.159 123.274 1.885 19444
4031 1 16 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.348 -0.171 19444
4032 1 16 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.700 1.399 19444
4033 1 16 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.441 0.787 19444
4034 1 16 . 1 1 97 97 LEU H H 97 7.287 7.287 7.065 0.222 19444
4035 1 16 . 1 1 98 98 ARG N N 98 128.515 128.515 127.517 0.998 19444
4036 1 16 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.734 -0.146 19444
4037 1 16 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.281 -0.191 19444
4038 1 16 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.634 -0.298 19444
4039 1 16 . 1 1 98 98 ARG H H 98 8.898 8.898 8.639 0.259 19444
4040 1 16 . 1 1 99 99 LEU N N 99 127.834 127.834 124.328 3.506 19444
4041 1 16 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.490 -0.894 19444
4042 1 16 . 1 1 99 99 LEU CA C 99 54.578 54.578 53.493 1.085 19444
4043 1 16 . 1 1 99 99 LEU CB C 99 40.174 40.174 44.317 -4.143 19444
4044 1 16 . 1 1 99 99 LEU H H 99 8.362 8.362 9.041 -0.679 19444
4045 1 16 . 1 1 100 100 ASP N N 100 127.038 127.038 128.477 -1.439 19444
4046 1 16 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.987 -0.275 19444
4047 1 16 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.011 -0.997 19444
4048 1 16 . 1 1 100 100 ASP CB C 100 41.398 41.398 41.740 -0.342 19444
4049 1 16 . 1 1 100 100 ASP H H 100 7.998 7.998 8.685 -0.687 19444
4050 1 16 . 1 1 101 101 MET N N 101 122.551 122.551 118.931 3.620 19444
4051 1 16 . 1 1 101 101 MET HA H 101 4.533 4.533 4.734 -0.201 19444
4052 1 16 . 1 1 101 101 MET CA C 101 53.583 53.583 54.571 -0.988 19444
4053 1 16 . 1 1 101 101 MET CB C 101 33.400 33.400 33.936 -0.536 19444
4054 1 16 . 1 1 101 101 MET H H 101 8.761 8.761 7.656 1.105 19444
4055 1 16 . 1 1 102 102 SER N N 102 116.261 116.261 117.334 -1.073 19444
4056 1 16 . 1 1 102 102 SER HA H 102 4.191 4.191 4.440 -0.249 19444
4057 1 16 . 1 1 102 102 SER CA C 102 58.655 58.655 57.651 1.004 19444
4058 1 16 . 1 1 102 102 SER CB C 102 64.764 64.764 64.294 0.470 19444
4059 1 16 . 1 1 102 102 SER H H 102 8.212 8.212 7.971 0.241 19444
4060 1 16 . 1 1 103 103 ASP N N 103 121.700 121.700 124.778 -3.078 19444
4061 1 16 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.142 -0.329 19444
4062 1 16 . 1 1 103 103 ASP CA C 103 57.468 57.468 58.246 -0.778 19444
4063 1 16 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.657 -1.873 19444
4064 1 16 . 1 1 103 103 ASP H H 103 8.791 8.791 9.012 -0.221 19444
4065 1 16 . 1 1 104 104 LYS N N 104 116.308 116.308 119.254 -2.946 19444
4066 1 16 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.277 -0.496 19444
4067 1 16 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.834 1.005 19444
4068 1 16 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.899 0.273 19444
4069 1 16 . 1 1 104 104 LYS H H 104 7.886 7.886 8.058 -0.172 19444
4070 1 16 . 1 1 105 105 ALA N N 105 122.364 122.364 122.616 -0.252 19444
4071 1 16 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.167 -0.207 19444
4072 1 16 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.885 0.153 19444
4073 1 16 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.017 -0.076 19444
4074 1 16 . 1 1 105 105 ALA H H 105 7.343 7.343 7.553 -0.210 19444
4075 1 16 . 1 1 106 106 ILE N N 106 119.713 119.713 119.399 0.314 19444
4076 1 16 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.599 -0.121 19444
4077 1 16 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.653 0.545 19444
4078 1 16 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.631 -0.108 19444
4079 1 16 . 1 1 106 106 ILE H H 106 8.124 8.124 8.026 0.098 19444
4080 1 16 . 1 1 107 107 PHE N N 107 117.557 117.557 118.483 -0.926 19444
4081 1 16 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.665 -0.219 19444
4082 1 16 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.617 -2.690 19444
4083 1 16 . 1 1 107 107 PHE CB C 107 37.264 37.264 38.106 -0.842 19444
4084 1 16 . 1 1 107 107 PHE H H 107 8.448 8.448 7.958 0.490 19444
4085 1 16 . 1 1 108 108 ARG N N 108 117.407 117.407 118.835 -1.428 19444
4086 1 16 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.203 -0.120 19444
4087 1 16 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.841 -0.212 19444
4088 1 16 . 1 1 108 108 ARG CB C 108 30.460 30.460 30.279 0.181 19444
4089 1 16 . 1 1 108 108 ARG H H 108 7.568 7.568 8.379 -0.811 19444
4090 1 16 . 1 1 109 109 ARG N N 109 117.561 117.561 118.755 -1.194 19444
4091 1 16 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.115 -0.117 19444
4092 1 16 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.386 -0.831 19444
4093 1 16 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.470 0.117 19444
4094 1 16 . 1 1 109 109 ARG H H 109 7.281 7.281 7.819 -0.538 19444
4095 1 16 . 1 1 110 110 TYR N N 110 116.115 116.115 117.308 -1.193 19444
4096 1 16 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.104 0.224 19444
4097 1 16 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.057 -0.555 19444
4098 1 16 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.719 -1.230 19444
4099 1 16 . 1 1 110 110 TYR H H 110 8.877 8.877 8.217 0.660 19444
4100 1 16 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.659 -0.180 19444
4101 1 16 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.354 0.439 19444
4102 1 16 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.248 -0.577 19444
4103 1 16 . 1 1 112 112 HIS N N 112 116.277 116.277 114.898 1.379 19444
4104 1 16 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.463 -0.031 19444
4105 1 16 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.149 1.325 19444
4106 1 16 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.724 1.097 19444
4107 1 16 . 1 1 112 112 HIS H H 112 8.300 8.300 8.534 -0.234 19444
4108 1 16 . 1 1 113 113 LEU N N 113 120.770 120.770 119.466 1.304 19444
4109 1 16 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.143 -0.042 19444
4110 1 16 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.309 -1.105 19444
4111 1 16 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.510 1.367 19444
4112 1 16 . 1 1 113 113 LEU H H 113 7.518 7.518 7.118 0.400 19444
4113 1 17 . 1 1 59 59 ALA N N 59 123.352 123.352 124.742 -1.390 19444
4114 1 17 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.525 -0.241 19444
4115 1 17 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.878 0.418 19444
4116 1 17 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.724 -1.091 19444
4117 1 17 . 1 1 59 59 ALA H H 59 7.997 7.997 8.272 -0.275 19444
4118 1 17 . 1 1 60 60 LEU N N 60 120.985 120.985 121.413 -0.428 19444
4119 1 17 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.458 -0.005 19444
4120 1 17 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.547 -0.260 19444
4121 1 17 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.135 0.120 19444
4122 1 17 . 1 1 60 60 LEU H H 60 8.169 8.169 8.368 -0.199 19444
4123 1 17 . 1 1 61 61 ALA N N 61 125.303 125.303 125.428 -0.125 19444
4124 1 17 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.553 -0.056 19444
4125 1 17 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.781 0.447 19444
4126 1 17 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.639 -0.463 19444
4127 1 17 . 1 1 61 61 ALA H H 61 8.445 8.445 8.179 0.266 19444
4128 1 17 . 1 1 62 62 ALA N N 62 127.804 127.804 126.585 1.219 19444
4129 1 17 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.621 -0.305 19444
4130 1 17 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.406 0.603 19444
4131 1 17 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.756 -0.771 19444
4132 1 17 . 1 1 62 62 ALA H H 62 8.583 8.583 9.066 -0.483 19444
4133 1 17 . 1 1 63 63 LEU N N 63 120.096 120.096 122.122 -2.026 19444
4134 1 17 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.993 -0.109 19444
4135 1 17 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.775 -0.883 19444
4136 1 17 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.173 -1.041 19444
4137 1 17 . 1 1 63 63 LEU H H 63 8.077 8.077 8.291 -0.214 19444
4138 1 17 . 1 1 64 64 HIS N N 64 122.245 122.245 119.063 3.182 19444
4139 1 17 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.591 -0.351 19444
4140 1 17 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.049 0.977 19444
4141 1 17 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.345 -0.007 19444
4142 1 17 . 1 1 64 64 HIS H H 64 8.629 8.629 8.703 -0.074 19444
4143 1 17 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.285 0.065 19444
4144 1 17 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.249 0.099 19444
4145 1 17 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.665 0.053 19444
4146 1 17 . 1 1 66 66 ASP N N 66 115.211 115.211 114.878 0.333 19444
4147 1 17 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.731 -0.042 19444
4148 1 17 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.251 -0.729 19444
4149 1 17 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.803 -0.052 19444
4150 1 17 . 1 1 66 66 ASP H H 66 7.869 7.869 7.795 0.074 19444
4151 1 17 . 1 1 67 67 GLY N N 67 105.349 105.349 109.717 -4.368 19444
4152 1 17 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.041 0.225 19444
4153 1 17 . 1 1 67 67 GLY H H 67 8.441 8.441 8.374 0.067 19444
4154 1 17 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.250 -0.131 19444
4155 1 17 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.002 -0.798 19444
4156 1 17 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.615 -0.094 19444
4157 1 17 . 1 1 69 69 HIS N N 69 116.893 116.893 115.384 1.509 19444
4158 1 17 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.728 -0.043 19444
4159 1 17 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.635 0.351 19444
4160 1 17 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.318 0.159 19444
4161 1 17 . 1 1 69 69 HIS H H 69 8.503 8.503 8.154 0.349 19444
4162 1 17 . 1 1 70 70 ALA N N 70 120.705 120.705 122.006 -1.301 19444
4163 1 17 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.108 -0.541 19444
4164 1 17 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.701 0.078 19444
4165 1 17 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.298 -0.098 19444
4166 1 17 . 1 1 70 70 ALA H H 70 6.892 6.892 7.489 -0.597 19444
4167 1 17 . 1 1 71 71 GLY N N 71 109.407 109.407 112.567 -3.160 19444
4168 1 17 . 1 1 71 71 GLY CA C 71 45.346 45.346 44.989 0.357 19444
4169 1 17 . 1 1 71 71 GLY H H 71 9.144 9.144 8.997 0.147 19444
4170 1 17 . 1 1 72 72 LEU N N 72 119.969 119.969 122.875 -2.906 19444
4171 1 17 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.665 0.195 19444
4172 1 17 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.146 -0.070 19444
4173 1 17 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.574 -0.110 19444
4174 1 17 . 1 1 72 72 LEU H H 72 8.255 8.255 8.213 0.042 19444
4175 1 17 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.644 0.194 19444
4176 1 17 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.807 -1.297 19444
4177 1 17 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.197 -0.790 19444
4178 1 17 . 1 1 74 74 VAL N N 74 121.438 121.438 120.209 1.229 19444
4179 1 17 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.925 -0.436 19444
4180 1 17 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.489 1.164 19444
4181 1 17 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.233 -0.910 19444
4182 1 17 . 1 1 74 74 VAL H H 74 7.729 7.729 8.375 -0.646 19444
4183 1 17 . 1 1 75 75 THR N N 75 108.826 108.826 109.591 -0.765 19444
4184 1 17 . 1 1 75 75 THR HA H 75 5.015 5.015 4.608 0.407 19444
4185 1 17 . 1 1 75 75 THR CA C 75 59.822 59.822 59.168 0.654 19444
4186 1 17 . 1 1 75 75 THR CB C 75 74.087 74.087 71.745 2.342 19444
4187 1 17 . 1 1 75 75 THR H H 75 8.763 8.763 8.075 0.688 19444
4188 1 17 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.687 0.243 19444
4189 1 17 . 1 1 77 77 SER N N 77 114.493 114.493 114.293 0.200 19444
4190 1 17 . 1 1 77 77 SER HA H 77 4.133 4.133 4.148 -0.015 19444
4191 1 17 . 1 1 77 77 SER CA C 77 60.600 60.600 61.410 -0.810 19444
4192 1 17 . 1 1 77 77 SER CB C 77 62.378 62.378 62.652 -0.274 19444
4193 1 17 . 1 1 77 77 SER H H 77 8.231 8.231 8.297 -0.066 19444
4194 1 17 . 1 1 78 78 ASP N N 78 120.698 120.698 122.599 -1.901 19444
4195 1 17 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.308 0.100 19444
4196 1 17 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.382 0.697 19444
4197 1 17 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.383 2.951 19444
4198 1 17 . 1 1 78 78 ASP H H 78 7.388 7.388 7.978 -0.590 19444
4199 1 17 . 1 1 79 79 ALA N N 79 120.570 120.570 122.752 -2.182 19444
4200 1 17 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.844 -0.120 19444
4201 1 17 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.170 -0.269 19444
4202 1 17 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.177 1.569 19444
4203 1 17 . 1 1 79 79 ALA H H 79 7.873 7.873 8.357 -0.484 19444
4204 1 17 . 1 1 80 80 ARG N N 80 116.347 116.347 119.175 -2.828 19444
4205 1 17 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.005 -0.197 19444
4206 1 17 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.358 2.209 19444
4207 1 17 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.310 0.121 19444
4208 1 17 . 1 1 80 80 ARG H H 80 8.117 8.117 8.095 0.022 19444
4209 1 17 . 1 1 81 81 VAL N N 81 119.158 119.158 120.481 -1.323 19444
4210 1 17 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.820 -0.152 19444
4211 1 17 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.837 0.076 19444
4212 1 17 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.761 0.011 19444
4213 1 17 . 1 1 81 81 VAL H H 81 7.373 7.373 8.076 -0.703 19444
4214 1 17 . 1 1 82 82 LEU N N 82 118.515 118.515 121.750 -3.235 19444
4215 1 17 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.857 0.255 19444
4216 1 17 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.700 -0.445 19444
4217 1 17 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.918 -0.414 19444
4218 1 17 . 1 1 82 82 LEU H H 82 7.589 7.589 8.371 -0.782 19444
4219 1 17 . 1 1 83 83 ILE N N 83 121.181 121.181 119.111 2.070 19444
4220 1 17 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.655 0.119 19444
4221 1 17 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.781 0.050 19444
4222 1 17 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.964 0.624 19444
4223 1 17 . 1 1 83 83 ILE H H 83 8.755 8.755 8.254 0.501 19444
4224 1 17 . 1 1 84 84 PHE N N 84 123.192 123.192 120.142 3.050 19444
4225 1 17 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.051 0.111 19444
4226 1 17 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.390 0.266 19444
4227 1 17 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.028 0.036 19444
4228 1 17 . 1 1 84 84 PHE H H 84 8.683 8.683 8.601 0.082 19444
4229 1 17 . 1 1 85 85 ASN N N 85 118.056 118.056 118.447 -0.391 19444
4230 1 17 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.307 0.158 19444
4231 1 17 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.456 -0.309 19444
4232 1 17 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.564 -0.661 19444
4233 1 17 . 1 1 85 85 ASN H H 85 8.892 8.892 8.569 0.323 19444
4234 1 17 . 1 1 86 86 ASP N N 86 120.374 120.374 120.972 -0.598 19444
4235 1 17 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.354 0.098 19444
4236 1 17 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.872 -0.575 19444
4237 1 17 . 1 1 86 86 ASP CB C 86 42.267 42.267 41.017 1.250 19444
4238 1 17 . 1 1 86 86 ASP H H 86 8.146 8.146 8.370 -0.224 19444
4239 1 17 . 1 1 87 87 TRP N N 87 121.401 121.401 121.564 -0.163 19444
4240 1 17 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.150 -0.193 19444
4241 1 17 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.756 0.031 19444
4242 1 17 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.621 -1.675 19444
4243 1 17 . 1 1 87 87 TRP H H 87 8.121 8.121 8.549 -0.428 19444
4244 1 17 . 1 1 88 88 GLU N N 88 117.779 117.779 118.169 -0.390 19444
4245 1 17 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.153 -0.207 19444
4246 1 17 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.583 0.087 19444
4247 1 17 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.954 0.586 19444
4248 1 17 . 1 1 88 88 GLU H H 88 8.613 8.613 8.487 0.126 19444
4249 1 17 . 1 1 89 89 GLU N N 89 116.209 116.209 119.775 -3.566 19444
4250 1 17 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.930 0.071 19444
4251 1 17 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.041 -0.551 19444
4252 1 17 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.350 0.538 19444
4253 1 17 . 1 1 89 89 GLU H H 89 7.456 7.456 8.015 -0.559 19444
4254 1 17 . 1 1 90 90 ARG N N 90 119.957 119.957 118.286 1.671 19444
4255 1 17 . 1 1 90 90 ARG HA H 90 3.953 3.953 4.051 -0.098 19444
4256 1 17 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.645 -0.068 19444
4257 1 17 . 1 1 90 90 ARG CB C 90 31.731 31.731 30.218 1.513 19444
4258 1 17 . 1 1 90 90 ARG H H 90 8.134 8.134 8.070 0.064 19444
4259 1 17 . 1 1 91 91 LYS N N 91 118.871 118.871 120.965 -2.094 19444
4260 1 17 . 1 1 91 91 LYS HA H 91 3.672 3.672 3.993 -0.321 19444
4261 1 17 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.634 -0.924 19444
4262 1 17 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.673 -1.168 19444
4263 1 17 . 1 1 91 91 LYS H H 91 8.325 8.325 8.008 0.317 19444
4264 1 17 . 1 1 92 92 ARG N N 92 117.453 117.453 118.735 -1.282 19444
4265 1 17 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.929 -0.054 19444
4266 1 17 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.528 0.353 19444
4267 1 17 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.216 -0.431 19444
4268 1 17 . 1 1 92 92 ARG H H 92 7.069 7.069 8.012 -0.943 19444
4269 1 17 . 1 1 93 93 SER N N 93 110.842 110.842 113.185 -2.343 19444
4270 1 17 . 1 1 93 93 SER HA H 93 4.513 4.513 4.300 0.213 19444
4271 1 17 . 1 1 93 93 SER CA C 93 58.762 58.762 59.454 -0.692 19444
4272 1 17 . 1 1 93 93 SER CB C 93 64.164 64.164 64.245 -0.081 19444
4273 1 17 . 1 1 93 93 SER H H 93 7.427 7.427 7.775 -0.348 19444
4274 1 17 . 1 1 94 94 GLU N N 94 121.732 121.732 121.019 0.713 19444
4275 1 17 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.102 -0.425 19444
4276 1 17 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.621 0.265 19444
4277 1 17 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.472 -0.418 19444
4278 1 17 . 1 1 94 94 GLU H H 94 7.629 7.629 7.884 -0.255 19444
4279 1 17 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.361 -0.053 19444
4280 1 17 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.159 0.472 19444
4281 1 17 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.818 -0.334 19444
4282 1 17 . 1 1 96 96 TRP N N 96 115.321 115.321 116.878 -1.557 19444
4283 1 17 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.749 -0.094 19444
4284 1 17 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.986 1.780 19444
4285 1 17 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.113 -0.097 19444
4286 1 17 . 1 1 96 96 TRP H H 96 6.840 6.840 6.819 0.021 19444
4287 1 17 . 1 1 97 97 LEU N N 97 125.159 125.159 122.777 2.382 19444
4288 1 17 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.469 -0.292 19444
4289 1 17 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.982 1.117 19444
4290 1 17 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.590 0.638 19444
4291 1 17 . 1 1 97 97 LEU H H 97 7.287 7.287 7.013 0.274 19444
4292 1 17 . 1 1 98 98 ARG N N 98 128.515 128.515 127.293 1.222 19444
4293 1 17 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.465 0.123 19444
4294 1 17 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.996 -0.906 19444
4295 1 17 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.323 0.013 19444
4296 1 17 . 1 1 98 98 ARG H H 98 8.898 8.898 8.672 0.226 19444
4297 1 17 . 1 1 99 99 LEU N N 99 127.834 127.834 124.368 3.466 19444
4298 1 17 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.306 -0.710 19444
4299 1 17 . 1 1 99 99 LEU CA C 99 54.578 54.578 53.976 0.602 19444
4300 1 17 . 1 1 99 99 LEU CB C 99 40.174 40.174 42.375 -2.201 19444
4301 1 17 . 1 1 99 99 LEU H H 99 8.362 8.362 8.431 -0.069 19444
4302 1 17 . 1 1 100 100 ASP N N 100 127.038 127.038 128.921 -1.883 19444
4303 1 17 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.998 -0.286 19444
4304 1 17 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.098 -1.084 19444
4305 1 17 . 1 1 100 100 ASP CB C 100 41.398 41.398 41.023 0.375 19444
4306 1 17 . 1 1 100 100 ASP H H 100 7.998 7.998 8.911 -0.913 19444
4307 1 17 . 1 1 101 101 MET N N 101 122.551 122.551 116.923 5.628 19444
4308 1 17 . 1 1 101 101 MET HA H 101 4.533 4.533 4.645 -0.112 19444
4309 1 17 . 1 1 101 101 MET CA C 101 53.583 53.583 54.428 -0.845 19444
4310 1 17 . 1 1 101 101 MET CB C 101 33.400 33.400 33.790 -0.390 19444
4311 1 17 . 1 1 101 101 MET H H 101 8.761 8.761 7.804 0.957 19444
4312 1 17 . 1 1 102 102 SER N N 102 116.261 116.261 117.695 -1.434 19444
4313 1 17 . 1 1 102 102 SER HA H 102 4.191 4.191 3.712 0.479 19444
4314 1 17 . 1 1 102 102 SER CA C 102 58.655 58.655 57.212 1.443 19444
4315 1 17 . 1 1 102 102 SER CB C 102 64.764 64.764 64.366 0.398 19444
4316 1 17 . 1 1 102 102 SER H H 102 8.212 8.212 8.043 0.169 19444
4317 1 17 . 1 1 103 103 ASP N N 103 121.700 121.700 123.799 -2.099 19444
4318 1 17 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.089 -0.276 19444
4319 1 17 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.235 0.233 19444
4320 1 17 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.383 -1.599 19444
4321 1 17 . 1 1 103 103 ASP H H 103 8.791 8.791 8.728 0.063 19444
4322 1 17 . 1 1 104 104 LYS N N 104 116.308 116.308 119.909 -3.601 19444
4323 1 17 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.191 -0.410 19444
4324 1 17 . 1 1 104 104 LYS CA C 104 59.839 59.839 59.062 0.777 19444
4325 1 17 . 1 1 104 104 LYS CB C 104 32.172 32.172 32.296 -0.124 19444
4326 1 17 . 1 1 104 104 LYS H H 104 7.886 7.886 7.951 -0.065 19444
4327 1 17 . 1 1 105 105 ALA N N 105 122.364 122.364 122.378 -0.014 19444
4328 1 17 . 1 1 105 105 ALA HA H 105 3.960 3.960 3.991 -0.031 19444
4329 1 17 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.591 0.447 19444
4330 1 17 . 1 1 105 105 ALA CB C 105 17.941 17.941 17.728 0.213 19444
4331 1 17 . 1 1 105 105 ALA H H 105 7.343 7.343 7.269 0.074 19444
4332 1 17 . 1 1 106 106 ILE N N 106 119.713 119.713 119.343 0.370 19444
4333 1 17 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.563 -0.085 19444
4334 1 17 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.589 0.609 19444
4335 1 17 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.631 -0.108 19444
4336 1 17 . 1 1 106 106 ILE H H 106 8.124 8.124 8.078 0.046 19444
4337 1 17 . 1 1 107 107 PHE N N 107 117.557 117.557 118.583 -1.026 19444
4338 1 17 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.622 -0.176 19444
4339 1 17 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.542 -2.615 19444
4340 1 17 . 1 1 107 107 PHE CB C 107 37.264 37.264 38.206 -0.942 19444
4341 1 17 . 1 1 107 107 PHE H H 107 8.448 8.448 8.136 0.312 19444
4342 1 17 . 1 1 108 108 ARG N N 108 117.407 117.407 118.480 -1.073 19444
4343 1 17 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.215 -0.132 19444
4344 1 17 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.211 0.418 19444
4345 1 17 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.976 0.484 19444
4346 1 17 . 1 1 108 108 ARG H H 108 7.568 7.568 8.320 -0.752 19444
4347 1 17 . 1 1 109 109 ARG N N 109 117.561 117.561 118.278 -0.717 19444
4348 1 17 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.125 -0.127 19444
4349 1 17 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.309 -0.754 19444
4350 1 17 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.560 0.027 19444
4351 1 17 . 1 1 109 109 ARG H H 109 7.281 7.281 7.876 -0.595 19444
4352 1 17 . 1 1 110 110 TYR N N 110 116.115 116.115 117.186 -1.071 19444
4353 1 17 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.105 0.223 19444
4354 1 17 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.083 -0.581 19444
4355 1 17 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.613 -1.124 19444
4356 1 17 . 1 1 110 110 TYR H H 110 8.877 8.877 8.192 0.685 19444
4357 1 17 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.602 -0.123 19444
4358 1 17 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.437 0.356 19444
4359 1 17 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.140 -0.469 19444
4360 1 17 . 1 1 112 112 HIS N N 112 116.277 116.277 115.151 1.126 19444
4361 1 17 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.446 -0.014 19444
4362 1 17 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.397 1.077 19444
4363 1 17 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.781 1.040 19444
4364 1 17 . 1 1 112 112 HIS H H 112 8.300 8.300 8.505 -0.205 19444
4365 1 17 . 1 1 113 113 LEU N N 113 120.770 120.770 119.313 1.457 19444
4366 1 17 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.099 0.002 19444
4367 1 17 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.581 -1.378 19444
4368 1 17 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.482 1.395 19444
4369 1 17 . 1 1 113 113 LEU H H 113 7.518 7.518 7.111 0.407 19444
4370 1 18 . 1 1 59 59 ALA N N 59 123.352 123.352 125.196 -1.844 19444
4371 1 18 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.609 -0.325 19444
4372 1 18 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.861 0.435 19444
4373 1 18 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.858 -1.225 19444
4374 1 18 . 1 1 59 59 ALA H H 59 7.997 7.997 8.352 -0.355 19444
4375 1 18 . 1 1 60 60 LEU N N 60 120.985 120.985 121.062 -0.077 19444
4376 1 18 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.441 0.012 19444
4377 1 18 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.706 -0.419 19444
4378 1 18 . 1 1 60 60 LEU CB C 60 43.255 43.255 42.684 0.572 19444
4379 1 18 . 1 1 60 60 LEU H H 60 8.169 8.169 8.335 -0.166 19444
4380 1 18 . 1 1 61 61 ALA N N 61 125.303 125.303 123.715 1.588 19444
4381 1 18 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.607 -0.110 19444
4382 1 18 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.833 0.394 19444
4383 1 18 . 1 1 61 61 ALA CB C 61 20.176 20.176 21.507 -1.331 19444
4384 1 18 . 1 1 61 61 ALA H H 61 8.445 8.445 8.084 0.361 19444
4385 1 18 . 1 1 62 62 ALA N N 62 127.804 127.804 125.858 1.946 19444
4386 1 18 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.672 -0.356 19444
4387 1 18 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.260 0.749 19444
4388 1 18 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.796 -0.811 19444
4389 1 18 . 1 1 62 62 ALA H H 62 8.583 8.583 9.102 -0.519 19444
4390 1 18 . 1 1 63 63 LEU N N 63 120.096 120.096 122.155 -2.059 19444
4391 1 18 . 1 1 63 63 LEU HA H 63 4.884 4.884 5.004 -0.120 19444
4392 1 18 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.836 -0.944 19444
4393 1 18 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.143 -1.011 19444
4394 1 18 . 1 1 63 63 LEU H H 63 8.077 8.077 8.314 -0.237 19444
4395 1 18 . 1 1 64 64 HIS N N 64 122.245 122.245 119.099 3.146 19444
4396 1 18 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.585 -0.345 19444
4397 1 18 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.133 0.894 19444
4398 1 18 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.410 -0.072 19444
4399 1 18 . 1 1 64 64 HIS H H 64 8.629 8.629 8.723 -0.094 19444
4400 1 18 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.299 0.051 19444
4401 1 18 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.186 0.163 19444
4402 1 18 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.689 0.029 19444
4403 1 18 . 1 1 66 66 ASP N N 66 115.211 115.211 115.002 0.209 19444
4404 1 18 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.734 -0.045 19444
4405 1 18 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.267 -0.745 19444
4406 1 18 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.799 -0.048 19444
4407 1 18 . 1 1 66 66 ASP H H 66 7.869 7.869 7.799 0.070 19444
4408 1 18 . 1 1 67 67 GLY N N 67 105.349 105.349 109.729 -4.380 19444
4409 1 18 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.037 0.229 19444
4410 1 18 . 1 1 67 67 GLY H H 67 8.441 8.441 8.374 0.067 19444
4411 1 18 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.246 -0.127 19444
4412 1 18 . 1 1 68 68 PRO CA C 68 64.204 64.204 64.990 -0.786 19444
4413 1 18 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.608 -0.087 19444
4414 1 18 . 1 1 69 69 HIS N N 69 116.893 116.893 115.374 1.519 19444
4415 1 18 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.727 -0.042 19444
4416 1 18 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.665 0.321 19444
4417 1 18 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.351 0.126 19444
4418 1 18 . 1 1 69 69 HIS H H 69 8.503 8.503 8.139 0.364 19444
4419 1 18 . 1 1 70 70 ALA N N 70 120.705 120.705 121.999 -1.294 19444
4420 1 18 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.107 -0.540 19444
4421 1 18 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.706 0.073 19444
4422 1 18 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.297 -0.097 19444
4423 1 18 . 1 1 70 70 ALA H H 70 6.892 6.892 7.487 -0.595 19444
4424 1 18 . 1 1 71 71 GLY N N 71 109.407 109.407 112.578 -3.171 19444
4425 1 18 . 1 1 71 71 GLY CA C 71 45.346 45.346 44.991 0.355 19444
4426 1 18 . 1 1 71 71 GLY H H 71 9.144 9.144 8.990 0.154 19444
4427 1 18 . 1 1 72 72 LEU N N 72 119.969 119.969 122.920 -2.951 19444
4428 1 18 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.693 0.167 19444
4429 1 18 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.206 -0.130 19444
4430 1 18 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.583 -0.118 19444
4431 1 18 . 1 1 72 72 LEU H H 72 8.255 8.255 8.228 0.027 19444
4432 1 18 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.634 0.204 19444
4433 1 18 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.847 -1.337 19444
4434 1 18 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.165 -0.758 19444
4435 1 18 . 1 1 74 74 VAL N N 74 121.438 121.438 120.743 0.695 19444
4436 1 18 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.872 -0.383 19444
4437 1 18 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.246 1.407 19444
4438 1 18 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.120 -0.797 19444
4439 1 18 . 1 1 74 74 VAL H H 74 7.729 7.729 8.390 -0.661 19444
4440 1 18 . 1 1 75 75 THR N N 75 108.826 108.826 109.841 -1.015 19444
4441 1 18 . 1 1 75 75 THR HA H 75 5.015 5.015 4.587 0.428 19444
4442 1 18 . 1 1 75 75 THR CA C 75 59.822 59.822 59.286 0.535 19444
4443 1 18 . 1 1 75 75 THR CB C 75 74.087 74.087 71.784 2.304 19444
4444 1 18 . 1 1 75 75 THR H H 75 8.763 8.763 8.146 0.617 19444
4445 1 18 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.718 0.212 19444
4446 1 18 . 1 1 77 77 SER N N 77 114.493 114.493 113.501 0.992 19444
4447 1 18 . 1 1 77 77 SER HA H 77 4.133 4.133 4.109 0.024 19444
4448 1 18 . 1 1 77 77 SER CA C 77 60.600 60.600 61.372 -0.772 19444
4449 1 18 . 1 1 77 77 SER CB C 77 62.378 62.378 62.788 -0.410 19444
4450 1 18 . 1 1 77 77 SER H H 77 8.231 8.231 7.888 0.343 19444
4451 1 18 . 1 1 78 78 ASP N N 78 120.698 120.698 122.048 -1.350 19444
4452 1 18 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.289 0.119 19444
4453 1 18 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.413 0.666 19444
4454 1 18 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.436 2.898 19444
4455 1 18 . 1 1 78 78 ASP H H 78 7.388 7.388 7.970 -0.582 19444
4456 1 18 . 1 1 79 79 ALA N N 79 120.570 120.570 122.665 -2.095 19444
4457 1 18 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.825 -0.101 19444
4458 1 18 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.098 -0.197 19444
4459 1 18 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.165 1.581 19444
4460 1 18 . 1 1 79 79 ALA H H 79 7.873 7.873 8.347 -0.474 19444
4461 1 18 . 1 1 80 80 ARG N N 80 116.347 116.347 119.178 -2.831 19444
4462 1 18 . 1 1 80 80 ARG HA H 80 3.808 3.808 3.993 -0.185 19444
4463 1 18 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.447 2.120 19444
4464 1 18 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.336 0.095 19444
4465 1 18 . 1 1 80 80 ARG H H 80 8.117 8.117 7.975 0.142 19444
4466 1 18 . 1 1 81 81 VAL N N 81 119.158 119.158 120.030 -0.872 19444
4467 1 18 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.839 -0.171 19444
4468 1 18 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.947 -0.034 19444
4469 1 18 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.694 0.078 19444
4470 1 18 . 1 1 81 81 VAL H H 81 7.373 7.373 8.246 -0.874 19444
4471 1 18 . 1 1 82 82 LEU N N 82 118.515 118.515 121.820 -3.305 19444
4472 1 18 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.857 0.255 19444
4473 1 18 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.683 -0.428 19444
4474 1 18 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.885 -0.381 19444
4475 1 18 . 1 1 82 82 LEU H H 82 7.589 7.589 8.325 -0.736 19444
4476 1 18 . 1 1 83 83 ILE N N 83 121.181 121.181 119.235 1.946 19444
4477 1 18 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.671 0.103 19444
4478 1 18 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.775 0.056 19444
4479 1 18 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.961 0.627 19444
4480 1 18 . 1 1 83 83 ILE H H 83 8.755 8.755 8.150 0.605 19444
4481 1 18 . 1 1 84 84 PHE N N 84 123.192 123.192 120.398 2.794 19444
4482 1 18 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.084 0.078 19444
4483 1 18 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.138 0.518 19444
4484 1 18 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.198 -0.134 19444
4485 1 18 . 1 1 84 84 PHE H H 84 8.683 8.683 8.671 0.012 19444
4486 1 18 . 1 1 85 85 ASN N N 85 118.056 118.056 118.536 -0.480 19444
4487 1 18 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.511 -0.046 19444
4488 1 18 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.210 -0.063 19444
4489 1 18 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.733 -0.830 19444
4490 1 18 . 1 1 85 85 ASN H H 85 8.892 8.892 8.674 0.218 19444
4491 1 18 . 1 1 86 86 ASP N N 86 120.374 120.374 122.562 -2.188 19444
4492 1 18 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.395 0.057 19444
4493 1 18 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.732 -0.435 19444
4494 1 18 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.816 1.452 19444
4495 1 18 . 1 1 86 86 ASP H H 86 8.146 8.146 8.407 -0.261 19444
4496 1 18 . 1 1 87 87 TRP N N 87 121.401 121.401 121.339 0.062 19444
4497 1 18 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.156 -0.199 19444
4498 1 18 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.370 0.417 19444
4499 1 18 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.604 -1.658 19444
4500 1 18 . 1 1 87 87 TRP H H 87 8.121 8.121 8.360 -0.239 19444
4501 1 18 . 1 1 88 88 GLU N N 88 117.779 117.779 117.887 -0.108 19444
4502 1 18 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.128 -0.182 19444
4503 1 18 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.653 0.017 19444
4504 1 18 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.890 0.650 19444
4505 1 18 . 1 1 88 88 GLU H H 88 8.613 8.613 8.493 0.120 19444
4506 1 18 . 1 1 89 89 GLU N N 89 116.209 116.209 119.667 -3.458 19444
4507 1 18 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.891 0.110 19444
4508 1 18 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.304 -0.814 19444
4509 1 18 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.566 0.322 19444
4510 1 18 . 1 1 89 89 GLU H H 89 7.456 7.456 7.880 -0.424 19444
4511 1 18 . 1 1 90 90 ARG N N 90 119.957 119.957 117.881 2.076 19444
4512 1 18 . 1 1 90 90 ARG HA H 90 3.953 3.953 4.039 -0.086 19444
4513 1 18 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.011 0.566 19444
4514 1 18 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.771 1.960 19444
4515 1 18 . 1 1 90 90 ARG H H 90 8.134 8.134 8.472 -0.338 19444
4516 1 18 . 1 1 91 91 LYS N N 91 118.871 118.871 120.496 -1.625 19444
4517 1 18 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.076 -0.404 19444
4518 1 18 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.418 -0.708 19444
4519 1 18 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.641 -1.136 19444
4520 1 18 . 1 1 91 91 LYS H H 91 8.325 8.325 8.117 0.208 19444
4521 1 18 . 1 1 92 92 ARG N N 92 117.453 117.453 119.239 -1.786 19444
4522 1 18 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.947 -0.072 19444
4523 1 18 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.672 0.209 19444
4524 1 18 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.263 -0.478 19444
4525 1 18 . 1 1 92 92 ARG H H 92 7.069 7.069 7.768 -0.699 19444
4526 1 18 . 1 1 93 93 SER N N 93 110.842 110.842 112.373 -1.531 19444
4527 1 18 . 1 1 93 93 SER HA H 93 4.513 4.513 4.312 0.201 19444
4528 1 18 . 1 1 93 93 SER CA C 93 58.762 58.762 59.391 -0.629 19444
4529 1 18 . 1 1 93 93 SER CB C 93 64.164 64.164 64.257 -0.093 19444
4530 1 18 . 1 1 93 93 SER H H 93 7.427 7.427 7.751 -0.324 19444
4531 1 18 . 1 1 94 94 GLU N N 94 121.732 121.732 121.211 0.521 19444
4532 1 18 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.128 -0.451 19444
4533 1 18 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.453 0.433 19444
4534 1 18 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.323 -0.269 19444
4535 1 18 . 1 1 94 94 GLU H H 94 7.629 7.629 7.846 -0.217 19444
4536 1 18 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.407 -0.099 19444
4537 1 18 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.275 0.356 19444
4538 1 18 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.854 -0.370 19444
4539 1 18 . 1 1 96 96 TRP N N 96 115.321 115.321 116.213 -0.892 19444
4540 1 18 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.765 -0.110 19444
4541 1 18 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.763 2.003 19444
4542 1 18 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.511 -0.495 19444
4543 1 18 . 1 1 96 96 TRP H H 96 6.840 6.840 6.925 -0.085 19444
4544 1 18 . 1 1 97 97 LEU N N 97 125.159 125.159 124.181 0.978 19444
4545 1 18 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.545 -0.368 19444
4546 1 18 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.360 1.739 19444
4547 1 18 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.317 0.911 19444
4548 1 18 . 1 1 97 97 LEU H H 97 7.287 7.287 7.213 0.074 19444
4549 1 18 . 1 1 98 98 ARG N N 98 128.515 128.515 128.002 0.513 19444
4550 1 18 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.600 -0.012 19444
4551 1 18 . 1 1 98 98 ARG CA C 98 55.090 55.090 56.288 -1.198 19444
4552 1 18 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.384 -0.047 19444
4553 1 18 . 1 1 98 98 ARG H H 98 8.898 8.898 8.611 0.287 19444
4554 1 18 . 1 1 99 99 LEU N N 99 127.834 127.834 127.997 -0.163 19444
4555 1 18 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.396 -0.800 19444
4556 1 18 . 1 1 99 99 LEU CA C 99 54.578 54.578 53.938 0.640 19444
4557 1 18 . 1 1 99 99 LEU CB C 99 40.174 40.174 43.036 -2.862 19444
4558 1 18 . 1 1 99 99 LEU H H 99 8.362 8.362 8.573 -0.211 19444
4559 1 18 . 1 1 100 100 ASP N N 100 127.038 127.038 124.746 2.292 19444
4560 1 18 . 1 1 100 100 ASP HA H 100 4.712 4.712 5.011 -0.299 19444
4561 1 18 . 1 1 100 100 ASP CA C 100 53.014 53.014 53.475 -0.461 19444
4562 1 18 . 1 1 100 100 ASP CB C 100 41.398 41.398 43.036 -1.638 19444
4563 1 18 . 1 1 100 100 ASP H H 100 7.998 7.998 8.548 -0.550 19444
4564 1 18 . 1 1 101 101 MET N N 101 122.551 122.551 117.564 4.987 19444
4565 1 18 . 1 1 101 101 MET HA H 101 4.533 4.533 4.674 -0.141 19444
4566 1 18 . 1 1 101 101 MET CA C 101 53.583 53.583 54.676 -1.093 19444
4567 1 18 . 1 1 101 101 MET CB C 101 33.400 33.400 33.102 0.298 19444
4568 1 18 . 1 1 101 101 MET H H 101 8.761 8.761 8.427 0.334 19444
4569 1 18 . 1 1 102 102 SER N N 102 116.261 116.261 117.970 -1.709 19444
4570 1 18 . 1 1 102 102 SER HA H 102 4.191 4.191 3.832 0.359 19444
4571 1 18 . 1 1 102 102 SER CA C 102 58.655 58.655 58.312 0.343 19444
4572 1 18 . 1 1 102 102 SER CB C 102 64.764 64.764 64.646 0.118 19444
4573 1 18 . 1 1 102 102 SER H H 102 8.212 8.212 7.868 0.344 19444
4574 1 18 . 1 1 103 103 ASP N N 103 121.700 121.700 124.582 -2.882 19444
4575 1 18 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.153 -0.340 19444
4576 1 18 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.176 0.292 19444
4577 1 18 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.423 -1.639 19444
4578 1 18 . 1 1 103 103 ASP H H 103 8.791 8.791 8.753 0.038 19444
4579 1 18 . 1 1 104 104 LYS N N 104 116.308 116.308 119.577 -3.269 19444
4580 1 18 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.229 -0.448 19444
4581 1 18 . 1 1 104 104 LYS CA C 104 59.839 59.839 59.048 0.791 19444
4582 1 18 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.878 0.294 19444
4583 1 18 . 1 1 104 104 LYS H H 104 7.886 7.886 7.735 0.151 19444
4584 1 18 . 1 1 105 105 ALA N N 105 122.364 122.364 122.311 0.053 19444
4585 1 18 . 1 1 105 105 ALA HA H 105 3.960 3.960 3.929 0.031 19444
4586 1 18 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.674 0.364 19444
4587 1 18 . 1 1 105 105 ALA CB C 105 17.941 17.941 17.768 0.173 19444
4588 1 18 . 1 1 105 105 ALA H H 105 7.343 7.343 7.427 -0.084 19444
4589 1 18 . 1 1 106 106 ILE N N 106 119.713 119.713 119.331 0.382 19444
4590 1 18 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.561 -0.083 19444
4591 1 18 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.609 0.589 19444
4592 1 18 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.614 -0.091 19444
4593 1 18 . 1 1 106 106 ILE H H 106 8.124 8.124 7.954 0.170 19444
4594 1 18 . 1 1 107 107 PHE N N 107 117.557 117.557 118.651 -1.094 19444
4595 1 18 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.576 -0.130 19444
4596 1 18 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.836 -2.909 19444
4597 1 18 . 1 1 107 107 PHE CB C 107 37.264 37.264 38.082 -0.818 19444
4598 1 18 . 1 1 107 107 PHE H H 107 8.448 8.448 8.126 0.322 19444
4599 1 18 . 1 1 108 108 ARG N N 108 117.407 117.407 118.688 -1.281 19444
4600 1 18 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.142 -0.059 19444
4601 1 18 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.894 -0.265 19444
4602 1 18 . 1 1 108 108 ARG CB C 108 30.460 30.460 30.176 0.284 19444
4603 1 18 . 1 1 108 108 ARG H H 108 7.568 7.568 8.355 -0.787 19444
4604 1 18 . 1 1 109 109 ARG N N 109 117.561 117.561 116.999 0.562 19444
4605 1 18 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.148 -0.150 19444
4606 1 18 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.018 -0.463 19444
4607 1 18 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.592 -0.005 19444
4608 1 18 . 1 1 109 109 ARG H H 109 7.281 7.281 7.744 -0.463 19444
4609 1 18 . 1 1 110 110 TYR N N 110 116.115 116.115 117.789 -1.674 19444
4610 1 18 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.064 0.265 19444
4611 1 18 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.343 -0.841 19444
4612 1 18 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.544 -1.055 19444
4613 1 18 . 1 1 110 110 TYR H H 110 8.877 8.877 8.240 0.637 19444
4614 1 18 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.663 -0.184 19444
4615 1 18 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.266 0.527 19444
4616 1 18 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.182 -0.511 19444
4617 1 18 . 1 1 112 112 HIS N N 112 116.277 116.277 115.064 1.213 19444
4618 1 18 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.482 -0.050 19444
4619 1 18 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.166 1.308 19444
4620 1 18 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.831 0.990 19444
4621 1 18 . 1 1 112 112 HIS H H 112 8.300 8.300 8.516 -0.216 19444
4622 1 18 . 1 1 113 113 LEU N N 113 120.770 120.770 119.313 1.457 19444
4623 1 18 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.132 -0.031 19444
4624 1 18 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.472 -1.269 19444
4625 1 18 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.627 1.250 19444
4626 1 18 . 1 1 113 113 LEU H H 113 7.518 7.518 7.200 0.318 19444
4627 1 19 . 1 1 59 59 ALA N N 59 123.352 123.352 124.654 -1.302 19444
4628 1 19 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.594 -0.310 19444
4629 1 19 . 1 1 59 59 ALA CA C 59 52.296 52.296 52.050 0.246 19444
4630 1 19 . 1 1 59 59 ALA CB C 59 19.633 19.633 21.106 -1.473 19444
4631 1 19 . 1 1 59 59 ALA H H 59 7.997 7.997 8.296 -0.299 19444
4632 1 19 . 1 1 60 60 LEU N N 60 120.985 120.985 121.349 -0.364 19444
4633 1 19 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.588 -0.135 19444
4634 1 19 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.399 -0.112 19444
4635 1 19 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.831 -0.576 19444
4636 1 19 . 1 1 60 60 LEU H H 60 8.169 8.169 8.297 -0.128 19444
4637 1 19 . 1 1 61 61 ALA N N 61 125.303 125.303 128.100 -2.797 19444
4638 1 19 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.541 -0.044 19444
4639 1 19 . 1 1 61 61 ALA CA C 61 51.227 51.227 51.008 0.219 19444
4640 1 19 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.136 0.041 19444
4641 1 19 . 1 1 61 61 ALA H H 61 8.445 8.445 8.249 0.196 19444
4642 1 19 . 1 1 62 62 ALA N N 62 127.804 127.804 126.504 1.300 19444
4643 1 19 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.673 -0.357 19444
4644 1 19 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.132 0.877 19444
4645 1 19 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.930 -0.945 19444
4646 1 19 . 1 1 62 62 ALA H H 62 8.583 8.583 9.055 -0.472 19444
4647 1 19 . 1 1 63 63 LEU N N 63 120.096 120.096 121.861 -1.765 19444
4648 1 19 . 1 1 63 63 LEU HA H 63 4.884 4.884 5.007 -0.123 19444
4649 1 19 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.814 -0.922 19444
4650 1 19 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.282 -1.150 19444
4651 1 19 . 1 1 63 63 LEU H H 63 8.077 8.077 8.313 -0.236 19444
4652 1 19 . 1 1 64 64 HIS N N 64 122.245 122.245 118.974 3.271 19444
4653 1 19 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.588 -0.348 19444
4654 1 19 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.094 0.932 19444
4655 1 19 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.443 -0.105 19444
4656 1 19 . 1 1 64 64 HIS H H 64 8.629 8.629 8.744 -0.115 19444
4657 1 19 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.354 -0.004 19444
4658 1 19 . 1 1 65 65 ALA CA C 65 53.349 53.349 52.894 0.455 19444
4659 1 19 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.741 -0.023 19444
4660 1 19 . 1 1 66 66 ASP N N 66 115.211 115.211 115.732 -0.521 19444
4661 1 19 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.775 -0.086 19444
4662 1 19 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.471 -0.949 19444
4663 1 19 . 1 1 66 66 ASP CB C 66 42.751 42.751 44.165 -1.414 19444
4664 1 19 . 1 1 66 66 ASP H H 66 7.869 7.869 7.891 -0.022 19444
4665 1 19 . 1 1 67 67 GLY N N 67 105.349 105.349 108.858 -3.509 19444
4666 1 19 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.005 0.261 19444
4667 1 19 . 1 1 67 67 GLY H H 67 8.441 8.441 8.386 0.055 19444
4668 1 19 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.243 -0.124 19444
4669 1 19 . 1 1 68 68 PRO CA C 68 64.204 64.204 64.994 -0.790 19444
4670 1 19 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.611 -0.090 19444
4671 1 19 . 1 1 69 69 HIS N N 69 116.893 116.893 115.400 1.493 19444
4672 1 19 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.717 -0.032 19444
4673 1 19 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.657 0.329 19444
4674 1 19 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.320 0.157 19444
4675 1 19 . 1 1 69 69 HIS H H 69 8.503 8.503 8.142 0.361 19444
4676 1 19 . 1 1 70 70 ALA N N 70 120.705 120.705 121.974 -1.269 19444
4677 1 19 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.089 -0.522 19444
4678 1 19 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.712 0.066 19444
4679 1 19 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.321 -0.121 19444
4680 1 19 . 1 1 70 70 ALA H H 70 6.892 6.892 7.480 -0.588 19444
4681 1 19 . 1 1 71 71 GLY N N 71 109.407 109.407 113.737 -4.330 19444
4682 1 19 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.009 0.337 19444
4683 1 19 . 1 1 71 71 GLY H H 71 9.144 9.144 9.029 0.115 19444
4684 1 19 . 1 1 72 72 LEU N N 72 119.969 119.969 121.872 -1.903 19444
4685 1 19 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.751 0.109 19444
4686 1 19 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.538 -0.462 19444
4687 1 19 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.730 -0.266 19444
4688 1 19 . 1 1 72 72 LEU H H 72 8.255 8.255 8.194 0.061 19444
4689 1 19 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.636 0.202 19444
4690 1 19 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.810 -1.300 19444
4691 1 19 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.142 -0.735 19444
4692 1 19 . 1 1 74 74 VAL N N 74 121.438 121.438 120.699 0.739 19444
4693 1 19 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.884 -0.395 19444
4694 1 19 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.096 1.557 19444
4695 1 19 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.132 -0.808 19444
4696 1 19 . 1 1 74 74 VAL H H 74 7.729 7.729 8.309 -0.580 19444
4697 1 19 . 1 1 75 75 THR N N 75 108.826 108.826 110.695 -1.869 19444
4698 1 19 . 1 1 75 75 THR HA H 75 5.015 5.015 4.553 0.462 19444
4699 1 19 . 1 1 75 75 THR CA C 75 59.822 59.822 59.459 0.363 19444
4700 1 19 . 1 1 75 75 THR CB C 75 74.087 74.087 71.698 2.389 19444
4701 1 19 . 1 1 75 75 THR H H 75 8.763 8.763 8.252 0.511 19444
4702 1 19 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.800 0.130 19444
4703 1 19 . 1 1 77 77 SER N N 77 114.493 114.493 115.041 -0.548 19444
4704 1 19 . 1 1 77 77 SER HA H 77 4.133 4.133 4.066 0.067 19444
4705 1 19 . 1 1 77 77 SER CA C 77 60.600 60.600 62.101 -1.501 19444
4706 1 19 . 1 1 77 77 SER CB C 77 62.378 62.378 62.759 -0.381 19444
4707 1 19 . 1 1 77 77 SER H H 77 8.231 8.231 8.360 -0.129 19444
4708 1 19 . 1 1 78 78 ASP N N 78 120.698 120.698 122.538 -1.840 19444
4709 1 19 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.304 0.104 19444
4710 1 19 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.441 0.638 19444
4711 1 19 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.394 2.940 19444
4712 1 19 . 1 1 78 78 ASP H H 78 7.388 7.388 8.048 -0.660 19444
4713 1 19 . 1 1 79 79 ALA N N 79 120.570 120.570 122.639 -2.069 19444
4714 1 19 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.839 -0.115 19444
4715 1 19 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.115 -0.214 19444
4716 1 19 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.233 1.513 19444
4717 1 19 . 1 1 79 79 ALA H H 79 7.873 7.873 8.236 -0.363 19444
4718 1 19 . 1 1 80 80 ARG N N 80 116.347 116.347 118.847 -2.500 19444
4719 1 19 . 1 1 80 80 ARG HA H 80 3.808 3.808 3.982 -0.174 19444
4720 1 19 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.645 1.923 19444
4721 1 19 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.285 0.146 19444
4722 1 19 . 1 1 80 80 ARG H H 80 8.117 8.117 8.048 0.069 19444
4723 1 19 . 1 1 81 81 VAL N N 81 119.158 119.158 120.016 -0.858 19444
4724 1 19 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.871 -0.203 19444
4725 1 19 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.941 -0.028 19444
4726 1 19 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.743 0.029 19444
4727 1 19 . 1 1 81 81 VAL H H 81 7.373 7.373 8.284 -0.911 19444
4728 1 19 . 1 1 82 82 LEU N N 82 118.515 118.515 121.915 -3.400 19444
4729 1 19 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.873 0.239 19444
4730 1 19 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.739 -0.484 19444
4731 1 19 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.931 -0.427 19444
4732 1 19 . 1 1 82 82 LEU H H 82 7.589 7.589 8.280 -0.691 19444
4733 1 19 . 1 1 83 83 ILE N N 83 121.181 121.181 119.210 1.971 19444
4734 1 19 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.690 0.084 19444
4735 1 19 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.764 0.067 19444
4736 1 19 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.996 0.592 19444
4737 1 19 . 1 1 83 83 ILE H H 83 8.755 8.755 8.223 0.532 19444
4738 1 19 . 1 1 84 84 PHE N N 84 123.192 123.192 120.365 2.827 19444
4739 1 19 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.098 0.064 19444
4740 1 19 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.100 0.556 19444
4741 1 19 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.214 -0.150 19444
4742 1 19 . 1 1 84 84 PHE H H 84 8.683 8.683 8.566 0.117 19444
4743 1 19 . 1 1 85 85 ASN N N 85 118.056 118.056 118.534 -0.478 19444
4744 1 19 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.484 -0.019 19444
4745 1 19 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.279 -0.132 19444
4746 1 19 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.713 -0.810 19444
4747 1 19 . 1 1 85 85 ASN H H 85 8.892 8.892 8.666 0.226 19444
4748 1 19 . 1 1 86 86 ASP N N 86 120.374 120.374 122.021 -1.647 19444
4749 1 19 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.350 0.102 19444
4750 1 19 . 1 1 86 86 ASP CA C 86 57.297 57.297 58.170 -0.873 19444
4751 1 19 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.947 1.319 19444
4752 1 19 . 1 1 86 86 ASP H H 86 8.146 8.146 8.347 -0.201 19444
4753 1 19 . 1 1 87 87 TRP N N 87 121.401 121.401 121.500 -0.099 19444
4754 1 19 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.129 -0.172 19444
4755 1 19 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.905 -0.118 19444
4756 1 19 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.581 -1.635 19444
4757 1 19 . 1 1 87 87 TRP H H 87 8.121 8.121 8.418 -0.297 19444
4758 1 19 . 1 1 88 88 GLU N N 88 117.779 117.779 118.305 -0.526 19444
4759 1 19 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.169 -0.223 19444
4760 1 19 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.711 -0.041 19444
4761 1 19 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.850 0.690 19444
4762 1 19 . 1 1 88 88 GLU H H 88 8.613 8.613 8.460 0.153 19444
4763 1 19 . 1 1 89 89 GLU N N 89 116.209 116.209 119.240 -3.031 19444
4764 1 19 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.930 0.071 19444
4765 1 19 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.166 -0.676 19444
4766 1 19 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.440 0.448 19444
4767 1 19 . 1 1 89 89 GLU H H 89 7.456 7.456 7.861 -0.405 19444
4768 1 19 . 1 1 90 90 ARG N N 90 119.957 119.957 118.050 1.907 19444
4769 1 19 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.964 -0.011 19444
4770 1 19 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.863 -0.286 19444
4771 1 19 . 1 1 90 90 ARG CB C 90 31.731 31.731 30.030 1.701 19444
4772 1 19 . 1 1 90 90 ARG H H 90 8.134 8.134 8.208 -0.074 19444
4773 1 19 . 1 1 91 91 LYS N N 91 118.871 118.871 120.130 -1.259 19444
4774 1 19 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.106 -0.434 19444
4775 1 19 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.055 -0.345 19444
4776 1 19 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.571 -1.066 19444
4777 1 19 . 1 1 91 91 LYS H H 91 8.325 8.325 8.131 0.194 19444
4778 1 19 . 1 1 92 92 ARG N N 92 117.453 117.453 118.635 -1.182 19444
4779 1 19 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.950 -0.075 19444
4780 1 19 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.465 0.416 19444
4781 1 19 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.004 -0.219 19444
4782 1 19 . 1 1 92 92 ARG H H 92 7.069 7.069 7.825 -0.756 19444
4783 1 19 . 1 1 93 93 SER N N 93 110.842 110.842 113.946 -3.104 19444
4784 1 19 . 1 1 93 93 SER HA H 93 4.513 4.513 4.224 0.289 19444
4785 1 19 . 1 1 93 93 SER CA C 93 58.762 58.762 60.288 -1.526 19444
4786 1 19 . 1 1 93 93 SER CB C 93 64.164 64.164 63.774 0.390 19444
4787 1 19 . 1 1 93 93 SER H H 93 7.427 7.427 7.800 -0.373 19444
4788 1 19 . 1 1 94 94 GLU N N 94 121.732 121.732 119.242 2.490 19444
4789 1 19 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.079 -0.402 19444
4790 1 19 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.663 0.223 19444
4791 1 19 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.464 -0.410 19444
4792 1 19 . 1 1 94 94 GLU H H 94 7.629 7.629 7.819 -0.190 19444
4793 1 19 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.397 -0.089 19444
4794 1 19 . 1 1 95 95 PRO CA C 95 64.631 64.631 63.626 1.005 19444
4795 1 19 . 1 1 95 95 PRO CB C 95 31.484 31.484 32.018 -0.534 19444
4796 1 19 . 1 1 96 96 TRP N N 96 115.321 115.321 116.396 -1.075 19444
4797 1 19 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.737 -0.082 19444
4798 1 19 . 1 1 96 96 TRP CA C 96 56.766 56.766 55.002 1.764 19444
4799 1 19 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.275 -0.259 19444
4800 1 19 . 1 1 96 96 TRP H H 96 6.840 6.840 6.669 0.171 19444
4801 1 19 . 1 1 97 97 LEU N N 97 125.159 125.159 123.923 1.236 19444
4802 1 19 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.465 -0.288 19444
4803 1 19 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.425 1.674 19444
4804 1 19 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.482 0.746 19444
4805 1 19 . 1 1 97 97 LEU H H 97 7.287 7.287 7.242 0.045 19444
4806 1 19 . 1 1 98 98 ARG N N 98 128.515 128.515 127.829 0.686 19444
4807 1 19 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.612 -0.024 19444
4808 1 19 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.447 -0.357 19444
4809 1 19 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.278 0.058 19444
4810 1 19 . 1 1 98 98 ARG H H 98 8.898 8.898 8.623 0.275 19444
4811 1 19 . 1 1 99 99 LEU N N 99 127.834 127.834 122.933 4.901 19444
4812 1 19 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.309 -0.713 19444
4813 1 19 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.162 0.416 19444
4814 1 19 . 1 1 99 99 LEU CB C 99 40.174 40.174 42.673 -2.499 19444
4815 1 19 . 1 1 99 99 LEU H H 99 8.362 8.362 8.272 0.090 19444
4816 1 19 . 1 1 100 100 ASP N N 100 127.038 127.038 127.293 -0.255 19444
4817 1 19 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.851 -0.139 19444
4818 1 19 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.201 -1.187 19444
4819 1 19 . 1 1 100 100 ASP CB C 100 41.398 41.398 42.779 -1.381 19444
4820 1 19 . 1 1 100 100 ASP H H 100 7.998 7.998 8.646 -0.648 19444
4821 1 19 . 1 1 101 101 MET N N 101 122.551 122.551 116.749 5.802 19444
4822 1 19 . 1 1 101 101 MET HA H 101 4.533 4.533 4.675 -0.142 19444
4823 1 19 . 1 1 101 101 MET CA C 101 53.583 53.583 54.415 -0.832 19444
4824 1 19 . 1 1 101 101 MET CB C 101 33.400 33.400 33.574 -0.174 19444
4825 1 19 . 1 1 101 101 MET H H 101 8.761 8.761 8.125 0.636 19444
4826 1 19 . 1 1 102 102 SER N N 102 116.261 116.261 115.965 0.296 19444
4827 1 19 . 1 1 102 102 SER HA H 102 4.191 4.191 4.219 -0.028 19444
4828 1 19 . 1 1 102 102 SER CA C 102 58.655 58.655 57.805 0.850 19444
4829 1 19 . 1 1 102 102 SER CB C 102 64.764 64.764 65.759 -0.995 19444
4830 1 19 . 1 1 102 102 SER H H 102 8.212 8.212 7.732 0.480 19444
4831 1 19 . 1 1 103 103 ASP N N 103 121.700 121.700 120.764 0.936 19444
4832 1 19 . 1 1 103 103 ASP HA H 103 3.813 3.813 3.987 -0.174 19444
4833 1 19 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.456 0.011 19444
4834 1 19 . 1 1 103 103 ASP CB C 103 38.784 38.784 39.823 -1.039 19444
4835 1 19 . 1 1 103 103 ASP H H 103 8.791 8.791 8.922 -0.131 19444
4836 1 19 . 1 1 104 104 LYS N N 104 116.308 116.308 119.746 -3.438 19444
4837 1 19 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.144 -0.363 19444
4838 1 19 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.582 1.257 19444
4839 1 19 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.448 0.724 19444
4840 1 19 . 1 1 104 104 LYS H H 104 7.886 7.886 7.990 -0.104 19444
4841 1 19 . 1 1 105 105 ALA N N 105 122.364 122.364 122.389 -0.025 19444
4842 1 19 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.172 -0.212 19444
4843 1 19 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.946 0.092 19444
4844 1 19 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.016 -0.075 19444
4845 1 19 . 1 1 105 105 ALA H H 105 7.343 7.343 7.725 -0.382 19444
4846 1 19 . 1 1 106 106 ILE N N 106 119.713 119.713 119.311 0.402 19444
4847 1 19 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.655 -0.177 19444
4848 1 19 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.785 0.413 19444
4849 1 19 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.760 -0.236 19444
4850 1 19 . 1 1 106 106 ILE H H 106 8.124 8.124 8.376 -0.252 19444
4851 1 19 . 1 1 107 107 PHE N N 107 117.557 117.557 118.931 -1.374 19444
4852 1 19 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.586 -0.140 19444
4853 1 19 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.524 -2.597 19444
4854 1 19 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.995 -0.731 19444
4855 1 19 . 1 1 107 107 PHE H H 107 8.448 8.448 8.090 0.358 19444
4856 1 19 . 1 1 108 108 ARG N N 108 117.407 117.407 118.523 -1.116 19444
4857 1 19 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.237 -0.154 19444
4858 1 19 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.216 0.413 19444
4859 1 19 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.936 0.524 19444
4860 1 19 . 1 1 108 108 ARG H H 108 7.568 7.568 8.324 -0.756 19444
4861 1 19 . 1 1 109 109 ARG N N 109 117.561 117.561 117.041 0.520 19444
4862 1 19 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.134 -0.136 19444
4863 1 19 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.310 -0.755 19444
4864 1 19 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.376 0.211 19444
4865 1 19 . 1 1 109 109 ARG H H 109 7.281 7.281 8.040 -0.759 19444
4866 1 19 . 1 1 110 110 TYR N N 110 116.115 116.115 117.006 -0.891 19444
4867 1 19 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.083 0.245 19444
4868 1 19 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.297 -0.795 19444
4869 1 19 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.618 -1.129 19444
4870 1 19 . 1 1 110 110 TYR H H 110 8.877 8.877 8.291 0.586 19444
4871 1 19 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.668 -0.189 19444
4872 1 19 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.276 0.517 19444
4873 1 19 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.217 -0.546 19444
4874 1 19 . 1 1 112 112 HIS N N 112 116.277 116.277 115.249 1.028 19444
4875 1 19 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.496 -0.064 19444
4876 1 19 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.249 1.225 19444
4877 1 19 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.869 0.952 19444
4878 1 19 . 1 1 112 112 HIS H H 112 8.300 8.300 8.596 -0.296 19444
4879 1 19 . 1 1 113 113 LEU N N 113 120.770 120.770 119.678 1.092 19444
4880 1 19 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.281 -0.180 19444
4881 1 19 . 1 1 113 113 LEU CA C 113 54.203 54.203 54.897 -0.694 19444
4882 1 19 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.670 1.207 19444
4883 1 19 . 1 1 113 113 LEU H H 113 7.518 7.518 7.301 0.217 19444
4884 1 20 . 1 1 59 59 ALA N N 59 123.352 123.352 122.285 1.067 19444
4885 1 20 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.700 -0.416 19444
4886 1 20 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.841 0.455 19444
4887 1 20 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.963 -1.330 19444
4888 1 20 . 1 1 59 59 ALA H H 59 7.997 7.997 8.056 -0.059 19444
4889 1 20 . 1 1 60 60 LEU N N 60 120.985 120.985 120.896 0.089 19444
4890 1 20 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.520 -0.067 19444
4891 1 20 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.281 0.007 19444
4892 1 20 . 1 1 60 60 LEU CB C 60 43.255 43.255 44.013 -0.758 19444
4893 1 20 . 1 1 60 60 LEU H H 60 8.169 8.169 8.294 -0.125 19444
4894 1 20 . 1 1 61 61 ALA N N 61 125.303 125.303 125.514 -0.211 19444
4895 1 20 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.465 0.032 19444
4896 1 20 . 1 1 61 61 ALA CA C 61 51.227 51.227 51.055 0.172 19444
4897 1 20 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.194 -0.018 19444
4898 1 20 . 1 1 61 61 ALA H H 61 8.445 8.445 8.171 0.274 19444
4899 1 20 . 1 1 62 62 ALA N N 62 127.804 127.804 125.814 1.990 19444
4900 1 20 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.685 -0.369 19444
4901 1 20 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.163 0.846 19444
4902 1 20 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.882 -0.897 19444
4903 1 20 . 1 1 62 62 ALA H H 62 8.583 8.583 9.039 -0.456 19444
4904 1 20 . 1 1 63 63 LEU N N 63 120.096 120.096 121.961 -1.865 19444
4905 1 20 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.994 -0.110 19444
4906 1 20 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.805 -0.913 19444
4907 1 20 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.250 -1.118 19444
4908 1 20 . 1 1 63 63 LEU H H 63 8.077 8.077 8.329 -0.252 19444
4909 1 20 . 1 1 64 64 HIS N N 64 122.245 122.245 118.755 3.490 19444
4910 1 20 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.598 -0.358 19444
4911 1 20 . 1 1 64 64 HIS CA C 64 58.026 58.026 56.876 1.150 19444
4912 1 20 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.727 -0.390 19444
4913 1 20 . 1 1 64 64 HIS H H 64 8.629 8.629 8.680 -0.051 19444
4914 1 20 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.337 0.013 19444
4915 1 20 . 1 1 65 65 ALA CA C 65 53.349 53.349 52.986 0.363 19444
4916 1 20 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.580 0.138 19444
4917 1 20 . 1 1 66 66 ASP N N 66 115.211 115.211 115.056 0.155 19444
4918 1 20 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.673 0.016 19444
4919 1 20 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.077 -0.555 19444
4920 1 20 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.934 -0.183 19444
4921 1 20 . 1 1 66 66 ASP H H 66 7.869 7.869 7.907 -0.038 19444
4922 1 20 . 1 1 67 67 GLY N N 67 105.349 105.349 108.388 -3.039 19444
4923 1 20 . 1 1 67 67 GLY CA C 67 45.266 45.266 44.867 0.399 19444
4924 1 20 . 1 1 67 67 GLY H H 67 8.441 8.441 8.489 -0.048 19444
4925 1 20 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.254 -0.135 19444
4926 1 20 . 1 1 68 68 PRO CA C 68 64.204 64.204 64.997 -0.793 19444
4927 1 20 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.626 -0.105 19444
4928 1 20 . 1 1 69 69 HIS N N 69 116.893 116.893 115.442 1.451 19444
4929 1 20 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.733 -0.048 19444
4930 1 20 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.614 0.372 19444
4931 1 20 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.285 0.192 19444
4932 1 20 . 1 1 69 69 HIS H H 69 8.503 8.503 8.129 0.374 19444
4933 1 20 . 1 1 70 70 ALA N N 70 120.705 120.705 121.985 -1.280 19444
4934 1 20 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.098 -0.531 19444
4935 1 20 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.705 0.074 19444
4936 1 20 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.306 -0.106 19444
4937 1 20 . 1 1 70 70 ALA H H 70 6.892 6.892 7.506 -0.614 19444
4938 1 20 . 1 1 71 71 GLY N N 71 109.407 109.407 112.536 -3.129 19444
4939 1 20 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.018 0.328 19444
4940 1 20 . 1 1 71 71 GLY H H 71 9.144 9.144 8.959 0.185 19444
4941 1 20 . 1 1 72 72 LEU N N 72 119.969 119.969 122.763 -2.794 19444
4942 1 20 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.713 0.147 19444
4943 1 20 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.115 -0.039 19444
4944 1 20 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.601 -0.137 19444
4945 1 20 . 1 1 72 72 LEU H H 72 8.255 8.255 8.221 0.034 19444
4946 1 20 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.653 0.185 19444
4947 1 20 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.769 -1.259 19444
4948 1 20 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.175 -0.768 19444
4949 1 20 . 1 1 74 74 VAL N N 74 121.438 121.438 120.637 0.801 19444
4950 1 20 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.871 -0.382 19444
4951 1 20 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.201 1.452 19444
4952 1 20 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.108 -0.785 19444
4953 1 20 . 1 1 74 74 VAL H H 74 7.729 7.729 8.160 -0.431 19444
4954 1 20 . 1 1 75 75 THR N N 75 108.826 108.826 109.641 -0.815 19444
4955 1 20 . 1 1 75 75 THR HA H 75 5.015 5.015 4.583 0.432 19444
4956 1 20 . 1 1 75 75 THR CA C 75 59.822 59.822 59.230 0.592 19444
4957 1 20 . 1 1 75 75 THR CB C 75 74.087 74.087 71.803 2.284 19444
4958 1 20 . 1 1 75 75 THR H H 75 8.763 8.763 7.948 0.815 19444
4959 1 20 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.656 0.274 19444
4960 1 20 . 1 1 77 77 SER N N 77 114.493 114.493 114.425 0.068 19444
4961 1 20 . 1 1 77 77 SER HA H 77 4.133 4.133 4.041 0.092 19444
4962 1 20 . 1 1 77 77 SER CA C 77 60.600 60.600 61.748 -1.148 19444
4963 1 20 . 1 1 77 77 SER CB C 77 62.378 62.378 62.808 -0.430 19444
4964 1 20 . 1 1 77 77 SER H H 77 8.231 8.231 8.340 -0.109 19444
4965 1 20 . 1 1 78 78 ASP N N 78 120.698 120.698 122.412 -1.714 19444
4966 1 20 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.332 0.076 19444
4967 1 20 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.254 0.825 19444
4968 1 20 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.434 2.900 19444
4969 1 20 . 1 1 78 78 ASP H H 78 7.388 7.388 8.008 -0.620 19444
4970 1 20 . 1 1 79 79 ALA N N 79 120.570 120.570 122.662 -2.092 19444
4971 1 20 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.783 -0.059 19444
4972 1 20 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.043 -0.142 19444
4973 1 20 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.157 1.589 19444
4974 1 20 . 1 1 79 79 ALA H H 79 7.873 7.873 8.291 -0.418 19444
4975 1 20 . 1 1 80 80 ARG N N 80 116.347 116.347 118.778 -2.431 19444
4976 1 20 . 1 1 80 80 ARG HA H 80 3.808 3.808 3.920 -0.112 19444
4977 1 20 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.620 1.947 19444
4978 1 20 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.270 0.161 19444
4979 1 20 . 1 1 80 80 ARG H H 80 8.117 8.117 8.094 0.023 19444
4980 1 20 . 1 1 81 81 VAL N N 81 119.158 119.158 120.095 -0.937 19444
4981 1 20 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.887 -0.219 19444
4982 1 20 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.596 0.318 19444
4983 1 20 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.724 0.048 19444
4984 1 20 . 1 1 81 81 VAL H H 81 7.373 7.373 8.077 -0.704 19444
4985 1 20 . 1 1 82 82 LEU N N 82 118.515 118.515 121.762 -3.247 19444
4986 1 20 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.872 0.240 19444
4987 1 20 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.635 -0.380 19444
4988 1 20 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.914 -0.410 19444
4989 1 20 . 1 1 82 82 LEU H H 82 7.589 7.589 8.267 -0.678 19444
4990 1 20 . 1 1 83 83 ILE N N 83 121.181 121.181 119.422 1.759 19444
4991 1 20 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.681 0.093 19444
4992 1 20 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.832 -0.001 19444
4993 1 20 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.972 0.616 19444
4994 1 20 . 1 1 83 83 ILE H H 83 8.755 8.755 8.256 0.499 19444
4995 1 20 . 1 1 84 84 PHE N N 84 123.192 123.192 120.064 3.128 19444
4996 1 20 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.109 0.053 19444
4997 1 20 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.283 0.373 19444
4998 1 20 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.101 -0.037 19444
4999 1 20 . 1 1 84 84 PHE H H 84 8.683 8.683 8.605 0.078 19444
5000 1 20 . 1 1 85 85 ASN N N 85 118.056 118.056 117.767 0.289 19444
5001 1 20 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.261 0.204 19444
5002 1 20 . 1 1 85 85 ASN CA C 85 56.147 56.147 57.088 -0.941 19444
5003 1 20 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.244 -0.341 19444
5004 1 20 . 1 1 85 85 ASN H H 85 8.892 8.892 8.455 0.437 19444
5005 1 20 . 1 1 86 86 ASP N N 86 120.374 120.374 121.707 -1.333 19444
5006 1 20 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.434 0.019 19444
5007 1 20 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.967 -0.670 19444
5008 1 20 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.932 1.335 19444
5009 1 20 . 1 1 86 86 ASP H H 86 8.146 8.146 8.453 -0.307 19444
5010 1 20 . 1 1 87 87 TRP N N 87 121.401 121.401 122.020 -0.619 19444
5011 1 20 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.129 -0.172 19444
5012 1 20 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.794 -0.007 19444
5013 1 20 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.565 -1.619 19444
5014 1 20 . 1 1 87 87 TRP H H 87 8.121 8.121 8.628 -0.507 19444
5015 1 20 . 1 1 88 88 GLU N N 88 117.779 117.779 118.631 -0.852 19444
5016 1 20 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.005 -0.059 19444
5017 1 20 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.545 0.125 19444
5018 1 20 . 1 1 88 88 GLU CB C 88 29.540 29.540 29.056 0.484 19444
5019 1 20 . 1 1 88 88 GLU H H 88 8.613 8.613 8.514 0.099 19444
5020 1 20 . 1 1 89 89 GLU N N 89 116.209 116.209 119.638 -3.429 19444
5021 1 20 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.882 0.119 19444
5022 1 20 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.485 -0.995 19444
5023 1 20 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.510 0.378 19444
5024 1 20 . 1 1 89 89 GLU H H 89 7.456 7.456 7.985 -0.529 19444
5025 1 20 . 1 1 90 90 ARG N N 90 119.957 119.957 117.874 2.083 19444
5026 1 20 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.935 0.018 19444
5027 1 20 . 1 1 90 90 ARG CA C 90 58.577 58.577 59.086 -0.509 19444
5028 1 20 . 1 1 90 90 ARG CB C 90 31.731 31.731 30.203 1.528 19444
5029 1 20 . 1 1 90 90 ARG H H 90 8.134 8.134 7.999 0.135 19444
5030 1 20 . 1 1 91 91 LYS N N 91 118.871 118.871 120.425 -1.554 19444
5031 1 20 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.187 -0.515 19444
5032 1 20 . 1 1 91 91 LYS CA C 91 57.710 57.710 57.841 -0.131 19444
5033 1 20 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.613 -1.107 19444
5034 1 20 . 1 1 91 91 LYS H H 91 8.325 8.325 8.071 0.254 19444
5035 1 20 . 1 1 92 92 ARG N N 92 117.453 117.453 118.787 -1.334 19444
5036 1 20 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.939 -0.064 19444
5037 1 20 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.567 0.314 19444
5038 1 20 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.006 -0.221 19444
5039 1 20 . 1 1 92 92 ARG H H 92 7.069 7.069 7.966 -0.897 19444
5040 1 20 . 1 1 93 93 SER N N 93 110.842 110.842 114.388 -3.546 19444
5041 1 20 . 1 1 93 93 SER HA H 93 4.513 4.513 4.274 0.239 19444
5042 1 20 . 1 1 93 93 SER CA C 93 58.762 58.762 60.726 -1.964 19444
5043 1 20 . 1 1 93 93 SER CB C 93 64.164 64.164 64.006 0.158 19444
5044 1 20 . 1 1 93 93 SER H H 93 7.427 7.427 7.675 -0.248 19444
5045 1 20 . 1 1 94 94 GLU N N 94 121.732 121.732 119.421 2.311 19444
5046 1 20 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.151 -0.474 19444
5047 1 20 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.717 0.169 19444
5048 1 20 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.194 -0.140 19444
5049 1 20 . 1 1 94 94 GLU H H 94 7.629 7.629 7.828 -0.199 19444
5050 1 20 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.445 -0.137 19444
5051 1 20 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.159 0.472 19444
5052 1 20 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.967 -0.483 19444
5053 1 20 . 1 1 96 96 TRP N N 96 115.321 115.321 116.840 -1.519 19444
5054 1 20 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.809 -0.154 19444
5055 1 20 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.419 2.347 19444
5056 1 20 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.201 -0.185 19444
5057 1 20 . 1 1 96 96 TRP H H 96 6.840 6.840 6.728 0.112 19444
5058 1 20 . 1 1 97 97 LEU N N 97 125.159 125.159 123.505 1.654 19444
5059 1 20 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.535 -0.358 19444
5060 1 20 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.465 1.634 19444
5061 1 20 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.746 0.482 19444
5062 1 20 . 1 1 97 97 LEU H H 97 7.287 7.287 7.098 0.189 19444
5063 1 20 . 1 1 98 98 ARG N N 98 128.515 128.515 126.682 1.833 19444
5064 1 20 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.626 -0.038 19444
5065 1 20 . 1 1 98 98 ARG CA C 98 55.090 55.090 56.125 -1.035 19444
5066 1 20 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.261 0.075 19444
5067 1 20 . 1 1 98 98 ARG H H 98 8.898 8.898 8.649 0.249 19444
5068 1 20 . 1 1 99 99 LEU N N 99 127.834 127.834 123.172 4.662 19444
5069 1 20 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.443 -0.847 19444
5070 1 20 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.123 0.455 19444
5071 1 20 . 1 1 99 99 LEU CB C 99 40.174 40.174 43.515 -3.341 19444
5072 1 20 . 1 1 99 99 LEU H H 99 8.362 8.362 8.572 -0.210 19444
5073 1 20 . 1 1 100 100 ASP N N 100 127.038 127.038 127.786 -0.748 19444
5074 1 20 . 1 1 100 100 ASP HA H 100 4.712 4.712 5.086 -0.374 19444
5075 1 20 . 1 1 100 100 ASP CA C 100 53.014 53.014 53.735 -0.721 19444
5076 1 20 . 1 1 100 100 ASP CB C 100 41.398 41.398 41.512 -0.114 19444
5077 1 20 . 1 1 100 100 ASP H H 100 7.998 7.998 8.599 -0.601 19444
5078 1 20 . 1 1 101 101 MET N N 101 122.551 122.551 117.560 4.991 19444
5079 1 20 . 1 1 101 101 MET HA H 101 4.533 4.533 4.701 -0.168 19444
5080 1 20 . 1 1 101 101 MET CA C 101 53.583 53.583 54.463 -0.880 19444
5081 1 20 . 1 1 101 101 MET CB C 101 33.400 33.400 33.844 -0.444 19444
5082 1 20 . 1 1 101 101 MET H H 101 8.761 8.761 8.020 0.741 19444
5083 1 20 . 1 1 102 102 SER N N 102 116.261 116.261 115.951 0.310 19444
5084 1 20 . 1 1 102 102 SER HA H 102 4.191 4.191 3.769 0.422 19444
5085 1 20 . 1 1 102 102 SER CA C 102 58.655 58.655 57.462 1.193 19444
5086 1 20 . 1 1 102 102 SER CB C 102 64.764 64.764 64.890 -0.126 19444
5087 1 20 . 1 1 102 102 SER H H 102 8.212 8.212 7.935 0.277 19444
5088 1 20 . 1 1 103 103 ASP N N 103 121.700 121.700 121.637 0.063 19444
5089 1 20 . 1 1 103 103 ASP HA H 103 3.813 3.813 3.953 -0.140 19444
5090 1 20 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.383 0.085 19444
5091 1 20 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.317 -1.533 19444
5092 1 20 . 1 1 103 103 ASP H H 103 8.791 8.791 8.915 -0.124 19444
5093 1 20 . 1 1 104 104 LYS N N 104 116.308 116.308 121.245 -4.937 19444
5094 1 20 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.259 -0.478 19444
5095 1 20 . 1 1 104 104 LYS CA C 104 59.839 59.839 59.447 0.392 19444
5096 1 20 . 1 1 104 104 LYS CB C 104 32.172 32.172 32.436 -0.264 19444
5097 1 20 . 1 1 104 104 LYS H H 104 7.886 7.886 7.858 0.028 19444
5098 1 20 . 1 1 105 105 ALA N N 105 122.364 122.364 122.463 -0.099 19444
5099 1 20 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.079 -0.119 19444
5100 1 20 . 1 1 105 105 ALA CA C 105 55.038 55.038 55.064 -0.026 19444
5101 1 20 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.348 -0.407 19444
5102 1 20 . 1 1 105 105 ALA H H 105 7.343 7.343 8.156 -0.813 19444
5103 1 20 . 1 1 106 106 ILE N N 106 119.713 119.713 119.227 0.486 19444
5104 1 20 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.620 -0.142 19444
5105 1 20 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.748 0.450 19444
5106 1 20 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.753 -0.230 19444
5107 1 20 . 1 1 106 106 ILE H H 106 8.124 8.124 8.222 -0.098 19444
5108 1 20 . 1 1 107 107 PHE N N 107 117.557 117.557 118.410 -0.853 19444
5109 1 20 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.559 -0.113 19444
5110 1 20 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.644 -2.717 19444
5111 1 20 . 1 1 107 107 PHE CB C 107 37.264 37.264 38.010 -0.746 19444
5112 1 20 . 1 1 107 107 PHE H H 107 8.448 8.448 8.170 0.278 19444
5113 1 20 . 1 1 108 108 ARG N N 108 117.407 117.407 118.839 -1.432 19444
5114 1 20 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.223 -0.140 19444
5115 1 20 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.200 0.429 19444
5116 1 20 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.892 0.568 19444
5117 1 20 . 1 1 108 108 ARG H H 108 7.568 7.568 8.319 -0.751 19444
5118 1 20 . 1 1 109 109 ARG N N 109 117.561 117.561 116.289 1.272 19444
5119 1 20 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.198 -0.200 19444
5120 1 20 . 1 1 109 109 ARG CA C 109 57.555 57.555 57.692 -0.137 19444
5121 1 20 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.517 0.070 19444
5122 1 20 . 1 1 109 109 ARG H H 109 7.281 7.281 7.975 -0.694 19444
5123 1 20 . 1 1 110 110 TYR N N 110 116.115 116.115 118.276 -2.161 19444
5124 1 20 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.067 0.261 19444
5125 1 20 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.368 -0.866 19444
5126 1 20 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.309 -0.820 19444
5127 1 20 . 1 1 110 110 TYR H H 110 8.877 8.877 8.257 0.620 19444
5128 1 20 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.655 -0.176 19444
5129 1 20 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.360 0.433 19444
5130 1 20 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.133 -0.462 19444
5131 1 20 . 1 1 112 112 HIS N N 112 116.277 116.277 117.121 -0.844 19444
5132 1 20 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.495 -0.063 19444
5133 1 20 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.647 0.827 19444
5134 1 20 . 1 1 112 112 HIS CB C 112 28.821 28.821 28.121 0.700 19444
5135 1 20 . 1 1 112 112 HIS H H 112 8.300 8.300 8.489 -0.189 19444
5136 1 20 . 1 1 113 113 LEU N N 113 120.770 120.770 119.662 1.108 19444
5137 1 20 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.123 -0.022 19444
5138 1 20 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.455 -1.252 19444
5139 1 20 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.391 1.486 19444
5140 1 20 . 1 1 113 113 LEU H H 113 7.518 7.518 7.150 0.368 19444
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 49 1.972 0.448 1.940 19444
2 1 1 "Average Difference" HA 57 0.262 0.045 0.260 19444
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19444
4 1 1 "Average Difference" CA 54 0.894 -0.040 0.902 19444
5 1 1 "Average Difference" CB 52 0.992 0.042 1.001 19444
6 1 1 "Average Difference" HN 49 0.418 0.093 0.412 19444
7 1 2 "Average Difference" N 49 2.097 0.364 2.086 19444
8 1 2 "Average Difference" HA 57 0.268 0.055 0.264 19444
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19444
10 1 2 "Average Difference" CA 54 1.010 -0.069 1.017 19444
11 1 2 "Average Difference" CB 52 1.076 0.074 1.084 19444
12 1 2 "Average Difference" HN 49 0.420 0.122 0.406 19444
13 1 3 "Average Difference" N 49 2.053 0.279 2.055 19444
14 1 3 "Average Difference" HA 57 0.266 0.038 0.265 19444
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19444
16 1 3 "Average Difference" CA 54 0.940 -0.038 0.948 19444
17 1 3 "Average Difference" CB 52 1.034 0.081 1.041 19444
18 1 3 "Average Difference" HN 49 0.535 0.031 0.539 19444
19 1 4 "Average Difference" N 49 2.049 0.491 2.010 19444
20 1 4 "Average Difference" HA 57 0.278 0.045 0.277 19444
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19444
22 1 4 "Average Difference" CA 54 0.882 -0.008 0.890 19444
23 1 4 "Average Difference" CB 52 1.068 0.017 1.079 19444
24 1 4 "Average Difference" HN 49 0.475 0.054 0.477 19444
25 1 5 "Average Difference" N 49 1.994 0.350 1.984 19444
26 1 5 "Average Difference" HA 57 0.275 0.035 0.276 19444
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19444
28 1 5 "Average Difference" CA 54 0.974 -0.072 0.980 19444
29 1 5 "Average Difference" CB 52 1.027 -0.044 1.036 19444
30 1 5 "Average Difference" HN 49 0.393 0.069 0.391 19444
31 1 6 "Average Difference" N 49 2.010 0.297 2.009 19444
32 1 6 "Average Difference" HA 57 0.271 0.070 0.264 19444
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19444
34 1 6 "Average Difference" CA 54 1.028 -0.080 1.034 19444
35 1 6 "Average Difference" CB 52 1.058 0.057 1.066 19444
36 1 6 "Average Difference" HN 49 0.380 0.080 0.375 19444
37 1 7 "Average Difference" N 49 2.173 0.297 2.175 19444
38 1 7 "Average Difference" HA 57 0.265 0.039 0.264 19444
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19444
40 1 7 "Average Difference" CA 54 0.932 -0.005 0.940 19444
41 1 7 "Average Difference" CB 52 0.916 -0.023 0.925 19444
42 1 7 "Average Difference" HN 49 0.409 0.087 0.404 19444
43 1 8 "Average Difference" N 49 1.933 0.611 1.853 19444
44 1 8 "Average Difference" HA 57 0.298 0.035 0.299 19444
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19444
46 1 8 "Average Difference" CA 54 0.933 -0.042 0.940 19444
47 1 8 "Average Difference" CB 52 0.946 0.005 0.956 19444
48 1 8 "Average Difference" HN 49 0.429 0.074 0.427 19444
49 1 9 "Average Difference" N 49 2.132 0.347 2.126 19444
50 1 9 "Average Difference" HA 57 0.274 0.051 0.272 19444
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19444
52 1 9 "Average Difference" CA 54 0.862 -0.044 0.869 19444
53 1 9 "Average Difference" CB 52 1.063 0.075 1.070 19444
54 1 9 "Average Difference" HN 49 0.434 0.106 0.425 19444
55 1 10 "Average Difference" N 49 2.102 0.254 2.108 19444
56 1 10 "Average Difference" HA 57 0.264 0.043 0.263 19444
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19444
58 1 10 "Average Difference" CA 54 0.923 -0.023 0.931 19444
59 1 10 "Average Difference" CB 52 1.014 0.073 1.021 19444
60 1 10 "Average Difference" HN 49 0.421 0.066 0.420 19444
61 1 11 "Average Difference" N 49 2.001 0.374 1.986 19444
62 1 11 "Average Difference" HA 57 0.280 0.068 0.274 19444
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19444
64 1 11 "Average Difference" CA 54 0.933 -0.050 0.941 19444
65 1 11 "Average Difference" CB 52 1.025 0.074 1.033 19444
66 1 11 "Average Difference" HN 49 0.413 0.116 0.400 19444
67 1 12 "Average Difference" N 49 2.048 0.372 2.035 19444
68 1 12 "Average Difference" HA 57 0.273 0.070 0.266 19444
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19444
70 1 12 "Average Difference" CA 54 0.919 0.039 0.927 19444
71 1 12 "Average Difference" CB 52 1.018 0.097 1.023 19444
72 1 12 "Average Difference" HN 49 0.398 0.093 0.391 19444
73 1 13 "Average Difference" N 49 1.823 0.533 1.762 19444
74 1 13 "Average Difference" HA 57 0.280 0.072 0.272 19444
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19444
76 1 13 "Average Difference" CA 54 0.836 -0.007 0.844 19444
77 1 13 "Average Difference" CB 52 0.973 0.087 0.979 19444
78 1 13 "Average Difference" HN 49 0.401 0.124 0.386 19444
79 1 14 "Average Difference" N 49 2.015 0.434 1.988 19444
80 1 14 "Average Difference" HA 57 0.279 0.067 0.274 19444
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19444
82 1 14 "Average Difference" CA 54 1.030 -0.015 1.039 19444
83 1 14 "Average Difference" CB 52 1.071 0.104 1.076 19444
84 1 14 "Average Difference" HN 49 0.400 0.090 0.394 19444
85 1 15 "Average Difference" N 49 1.901 0.390 1.880 19444
86 1 15 "Average Difference" HA 57 0.262 0.057 0.258 19444
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19444
88 1 15 "Average Difference" CA 54 0.882 -0.038 0.890 19444
89 1 15 "Average Difference" CB 52 0.989 0.069 0.996 19444
90 1 15 "Average Difference" HN 49 0.400 0.074 0.398 19444
91 1 16 "Average Difference" N 49 1.977 0.339 1.968 19444
92 1 16 "Average Difference" HA 57 0.279 0.068 0.273 19444
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19444
94 1 16 "Average Difference" CA 54 0.903 -0.022 0.911 19444
95 1 16 "Average Difference" CB 52 1.089 0.103 1.094 19444
96 1 16 "Average Difference" HN 49 0.436 0.077 0.434 19444
97 1 17 "Average Difference" N 49 2.098 0.457 2.068 19444
98 1 17 "Average Difference" HA 57 0.272 0.038 0.271 19444
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19444
100 1 17 "Average Difference" CA 54 0.842 -0.035 0.849 19444
101 1 17 "Average Difference" CB 52 0.935 0.028 0.944 19444
102 1 17 "Average Difference" HN 49 0.435 0.085 0.431 19444
103 1 18 "Average Difference" N 49 2.017 0.438 1.989 19444
104 1 18 "Average Difference" HA 57 0.280 0.056 0.277 19444
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19444
106 1 18 "Average Difference" CA 54 0.878 -0.048 0.885 19444
107 1 18 "Average Difference" CB 52 1.025 0.082 1.032 19444
108 1 18 "Average Difference" HN 49 0.397 0.086 0.391 19444
109 1 19 "Average Difference" N 49 2.126 0.356 2.118 19444
110 1 19 "Average Difference" HA 57 0.267 0.064 0.261 19444
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19444
112 1 19 "Average Difference" CA 54 0.884 -0.021 0.892 19444
113 1 19 "Average Difference" CB 52 1.001 0.108 1.005 19444
114 1 19 "Average Difference" HN 49 0.405 0.110 0.394 19444
115 1 20 "Average Difference" N 49 2.132 0.281 2.135 19444
116 1 20 "Average Difference" HA 57 0.294 0.052 0.292 19444
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19444
118 1 20 "Average Difference" CA 54 0.913 -0.017 0.921 19444
119 1 20 "Average Difference" CB 52 0.984 0.094 0.989 19444
120 1 20 "Average Difference" HN 49 0.426 0.096 0.419 19444
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 19444
_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 59 59 ALA N N 59 123.352 123.352 123.347 0.005 19444
2 1 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.506 -0.222 19444
3 1 . 1 1 59 59 ALA CA C 59 52.296 52.296 52.008 0.288 19444
4 1 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.248 -0.615 19444
5 1 . 1 1 59 59 ALA H H 59 7.997 7.997 8.103 -0.106 19444
6 1 . 1 1 60 60 LEU N N 60 120.985 120.985 120.979 0.006 19444
7 1 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.472 -0.019 19444
8 1 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.611 -0.324 19444
9 1 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.168 0.087 19444
10 1 . 1 1 60 60 LEU H H 60 8.169 8.169 8.252 -0.083 19444
11 1 . 1 1 61 61 ALA N N 61 125.303 125.303 125.118 0.185 19444
12 1 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.590 -0.093 19444
13 1 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.859 0.368 19444
14 1 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.817 -0.641 19444
15 1 . 1 1 61 61 ALA H H 61 8.445 8.445 8.167 0.278 19444
16 1 . 1 1 62 62 ALA N N 62 127.804 127.804 126.224 1.580 19444
17 1 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.664 -0.348 19444
18 1 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.172 0.837 19444
19 1 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.898 -0.913 19444
20 1 . 1 1 62 62 ALA H H 62 8.583 8.583 9.058 -0.475 19444
21 1 . 1 1 63 63 LEU N N 63 120.096 120.096 121.670 -1.574 19444
22 1 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.991 -0.107 19444
23 1 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.852 -0.960 19444
24 1 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.356 -1.224 19444
25 1 . 1 1 63 63 LEU H H 63 8.077 8.077 8.287 -0.209 19444
26 1 . 1 1 64 64 HIS N N 64 122.245 122.245 118.932 3.313 19444
27 1 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.599 -0.359 19444
28 1 . 1 1 64 64 HIS CA C 64 58.026 58.026 56.990 1.036 19444
29 1 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.441 -0.103 19444
30 1 . 1 1 64 64 HIS H H 64 8.629 8.629 8.698 -0.069 19444
31 1 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.315 0.035 19444
32 1 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.078 0.271 19444
33 1 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.693 0.025 19444
34 1 . 1 1 66 66 ASP N N 66 115.211 115.211 115.197 0.015 19444
35 1 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.733 -0.043 19444
36 1 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.271 -0.749 19444
37 1 . 1 1 66 66 ASP CB C 66 42.751 42.751 43.101 -0.350 19444
38 1 . 1 1 66 66 ASP H H 66 7.869 7.869 7.829 0.040 19444
39 1 . 1 1 67 67 GLY N N 67 105.349 105.349 109.375 -4.026 19444
40 1 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.017 0.249 19444
41 1 . 1 1 67 67 GLY H H 67 8.441 8.441 8.396 0.045 19444
42 1 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.250 -0.131 19444
43 1 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.000 -0.796 19444
44 1 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.614 -0.093 19444
45 1 . 1 1 69 69 HIS N N 69 116.893 116.893 115.390 1.503 19444
46 1 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.728 -0.043 19444
47 1 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.637 0.349 19444
48 1 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.313 0.163 19444
49 1 . 1 1 69 69 HIS H H 69 8.503 8.503 8.138 0.365 19444
50 1 . 1 1 70 70 ALA N N 70 120.705 120.705 122.001 -1.296 19444
51 1 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.108 -0.541 19444
52 1 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.690 0.089 19444
53 1 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.294 -0.094 19444
54 1 . 1 1 70 70 ALA H H 70 6.892 6.892 7.485 -0.593 19444
55 1 . 1 1 71 71 GLY N N 71 109.407 109.407 113.082 -3.674 19444
56 1 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.004 0.342 19444
57 1 . 1 1 71 71 GLY H H 71 9.144 9.144 8.994 0.150 19444
58 1 . 1 1 72 72 LEU N N 72 119.969 119.969 122.329 -2.360 19444
59 1 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.721 0.139 19444
60 1 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.259 -0.183 19444
61 1 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.670 -0.206 19444
62 1 . 1 1 72 72 LEU H H 72 8.255 8.255 8.163 0.092 19444
63 1 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.660 0.178 19444
64 1 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.774 -1.264 19444
65 1 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.185 -0.778 19444
66 1 . 1 1 74 74 VAL N N 74 121.438 121.438 120.278 1.160 19444
67 1 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.907 -0.418 19444
68 1 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.176 1.477 19444
69 1 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.164 -0.841 19444
70 1 . 1 1 74 74 VAL H H 74 7.729 7.729 8.290 -0.561 19444
71 1 . 1 1 75 75 THR N N 75 108.826 108.826 109.776 -0.950 19444
72 1 . 1 1 75 75 THR HA H 75 5.015 5.015 4.589 0.426 19444
73 1 . 1 1 75 75 THR CA C 75 59.822 59.822 59.226 0.596 19444
74 1 . 1 1 75 75 THR CB C 75 74.087 74.087 71.825 2.262 19444
75 1 . 1 1 75 75 THR H H 75 8.763 8.763 8.150 0.613 19444
76 1 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.738 0.192 19444
77 1 . 1 1 77 77 SER N N 77 114.493 114.493 114.568 -0.075 19444
78 1 . 1 1 77 77 SER HA H 77 4.133 4.133 4.100 0.033 19444
79 1 . 1 1 77 77 SER CA C 77 60.600 60.600 61.701 -1.101 19444
80 1 . 1 1 77 77 SER CB C 77 62.378 62.378 62.752 -0.374 19444
81 1 . 1 1 77 77 SER H H 77 8.231 8.231 8.247 -0.016 19444
82 1 . 1 1 78 78 ASP N N 78 120.698 120.698 122.558 -1.860 19444
83 1 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.305 0.103 19444
84 1 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.383 0.696 19444
85 1 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.375 2.959 19444
86 1 . 1 1 78 78 ASP H H 78 7.388 7.388 8.022 -0.634 19444
87 1 . 1 1 79 79 ALA N N 79 120.570 120.570 122.630 -2.060 19444
88 1 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.821 -0.097 19444
89 1 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.095 -0.194 19444
90 1 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.184 1.562 19444
91 1 . 1 1 79 79 ALA H H 79 7.873 7.873 8.255 -0.382 19444
92 1 . 1 1 80 80 ARG N N 80 116.347 116.347 119.121 -2.774 19444
93 1 . 1 1 80 80 ARG HA H 80 3.808 3.808 3.996 -0.188 19444
94 1 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.453 2.114 19444
95 1 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.313 0.118 19444
96 1 . 1 1 80 80 ARG H H 80 8.117 8.117 8.075 0.042 19444
97 1 . 1 1 81 81 VAL N N 81 119.158 119.158 120.124 -0.966 19444
98 1 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.863 -0.195 19444
99 1 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.840 0.073 19444
100 1 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.706 0.066 19444
101 1 . 1 1 81 81 VAL H H 81 7.373 7.373 8.224 -0.851 19444
102 1 . 1 1 82 82 LEU N N 82 118.515 118.515 121.515 -3.000 19444
103 1 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.884 0.228 19444
104 1 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.648 -0.393 19444
105 1 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.728 -0.224 19444
106 1 . 1 1 82 82 LEU H H 82 7.589 7.589 8.314 -0.725 19444
107 1 . 1 1 83 83 ILE N N 83 121.181 121.181 119.424 1.757 19444
108 1 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.667 0.107 19444
109 1 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.768 0.063 19444
110 1 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.967 0.622 19444
111 1 . 1 1 83 83 ILE H H 83 8.755 8.755 8.235 0.520 19444
112 1 . 1 1 84 84 PHE N N 84 123.192 123.192 120.221 2.971 19444
113 1 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.097 0.065 19444
114 1 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.248 0.408 19444
115 1 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.155 -0.091 19444
116 1 . 1 1 84 84 PHE H H 84 8.683 8.683 8.633 0.050 19444
117 1 . 1 1 85 85 ASN N N 85 118.056 118.056 118.015 0.041 19444
118 1 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.347 0.118 19444
119 1 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.476 -0.329 19444
120 1 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.360 -0.457 19444
121 1 . 1 1 85 85 ASN H H 85 8.892 8.892 8.638 0.254 19444
122 1 . 1 1 86 86 ASP N N 86 120.374 120.374 121.558 -1.184 19444
123 1 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.389 0.063 19444
124 1 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.929 -0.631 19444
125 1 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.927 1.340 19444
126 1 . 1 1 86 86 ASP H H 86 8.146 8.146 8.381 -0.235 19444
127 1 . 1 1 87 87 TRP N N 87 121.401 121.401 121.694 -0.293 19444
128 1 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.125 -0.168 19444
129 1 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.637 0.150 19444
130 1 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.549 -1.603 19444
131 1 . 1 1 87 87 TRP H H 87 8.121 8.121 8.474 -0.353 19444
132 1 . 1 1 88 88 GLU N N 88 117.779 117.779 118.353 -0.574 19444
133 1 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.123 -0.177 19444
134 1 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.589 0.080 19444
135 1 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.903 0.637 19444
136 1 . 1 1 88 88 GLU H H 88 8.613 8.613 8.413 0.200 19444
137 1 . 1 1 89 89 GLU N N 89 116.209 116.209 119.764 -3.555 19444
138 1 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.911 0.090 19444
139 1 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.291 -0.801 19444
140 1 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.469 0.419 19444
141 1 . 1 1 89 89 GLU H H 89 7.456 7.456 7.935 -0.479 19444
142 1 . 1 1 90 90 ARG N N 90 119.957 119.957 118.201 1.756 19444
143 1 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.967 -0.014 19444
144 1 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.376 0.201 19444
145 1 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.886 1.845 19444
146 1 . 1 1 90 90 ARG H H 90 8.134 8.134 8.243 -0.109 19444
147 1 . 1 1 91 91 LYS N N 91 118.871 118.871 120.505 -1.634 19444
148 1 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.049 -0.377 19444
149 1 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.428 -0.718 19444
150 1 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.636 -1.131 19444
151 1 . 1 1 91 91 LYS H H 91 8.325 8.325 8.065 0.260 19444
152 1 . 1 1 92 92 ARG N N 92 117.453 117.453 118.628 -1.175 19444
153 1 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.941 -0.066 19444
154 1 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.485 0.396 19444
155 1 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.060 -0.276 19444
156 1 . 1 1 92 92 ARG H H 92 7.069 7.069 7.866 -0.797 19444
157 1 . 1 1 93 93 SER N N 93 110.842 110.842 113.676 -2.834 19444
158 1 . 1 1 93 93 SER HA H 93 4.513 4.513 4.249 0.264 19444
159 1 . 1 1 93 93 SER CA C 93 58.762 58.762 60.195 -1.433 19444
160 1 . 1 1 93 93 SER CB C 93 64.164 64.164 63.992 0.172 19444
161 1 . 1 1 93 93 SER H H 93 7.427 7.427 7.718 -0.291 19444
162 1 . 1 1 94 94 GLU N N 94 121.732 121.732 119.432 2.300 19444
163 1 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.066 -0.390 19444
164 1 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.710 0.176 19444
165 1 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.350 -0.296 19444
166 1 . 1 1 94 94 GLU H H 94 7.629 7.629 7.772 -0.143 19444
167 1 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.381 -0.073 19444
168 1 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.066 0.565 19444
169 1 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.934 -0.450 19444
170 1 . 1 1 96 96 TRP N N 96 115.321 115.321 116.321 -1.000 19444
171 1 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.748 -0.093 19444
172 1 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.675 2.091 19444
173 1 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.415 -0.399 19444
174 1 . 1 1 96 96 TRP H H 96 6.840 6.840 6.870 -0.030 19444
175 1 . 1 1 97 97 LEU N N 97 125.159 125.159 123.764 1.395 19444
176 1 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.443 -0.266 19444
177 1 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.734 1.365 19444
178 1 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.379 0.849 19444
179 1 . 1 1 97 97 LEU H H 97 7.287 7.287 7.201 0.086 19444
180 1 . 1 1 98 98 ARG N N 98 128.515 128.515 127.610 0.905 19444
181 1 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.571 0.017 19444
182 1 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.612 -0.522 19444
183 1 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.352 -0.016 19444
184 1 . 1 1 98 98 ARG H H 98 8.898 8.898 8.625 0.273 19444
185 1 . 1 1 99 99 LEU N N 99 127.834 127.834 124.462 3.372 19444
186 1 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.308 -0.712 19444
187 1 . 1 1 99 99 LEU CA C 99 54.578 54.578 53.964 0.614 19444
188 1 . 1 1 99 99 LEU CB C 99 40.174 40.174 42.952 -2.778 19444
189 1 . 1 1 99 99 LEU H H 99 8.362 8.362 8.391 -0.029 19444
190 1 . 1 1 100 100 ASP N N 100 127.038 127.038 127.362 -0.324 19444
191 1 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.886 -0.174 19444
192 1 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.000 -0.986 19444
193 1 . 1 1 100 100 ASP CB C 100 41.398 41.398 42.717 -1.319 19444
194 1 . 1 1 100 100 ASP H H 100 7.998 7.998 8.550 -0.552 19444
195 1 . 1 1 101 101 MET N N 101 122.551 122.551 118.551 3.999 19444
196 1 . 1 1 101 101 MET HA H 101 4.533 4.533 4.675 -0.142 19444
197 1 . 1 1 101 101 MET CA C 101 53.583 53.583 54.770 -1.187 19444
198 1 . 1 1 101 101 MET CB C 101 33.400 33.400 33.727 -0.327 19444
199 1 . 1 1 101 101 MET H H 101 8.761 8.761 8.020 0.741 19444
200 1 . 1 1 102 102 SER N N 102 116.261 116.261 117.205 -0.944 19444
201 1 . 1 1 102 102 SER HA H 102 4.191 4.191 4.216 -0.025 19444
202 1 . 1 1 102 102 SER CA C 102 58.655 58.655 57.882 0.773 19444
203 1 . 1 1 102 102 SER CB C 102 64.764 64.764 64.727 0.037 19444
204 1 . 1 1 102 102 SER H H 102 8.212 8.212 7.917 0.295 19444
205 1 . 1 1 103 103 ASP N N 103 121.700 121.700 123.041 -1.341 19444
206 1 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.047 -0.234 19444
207 1 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.541 -0.073 19444
208 1 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.322 -1.538 19444
209 1 . 1 1 103 103 ASP H H 103 8.791 8.791 8.848 -0.057 19444
210 1 . 1 1 104 104 LYS N N 104 116.308 116.308 119.768 -3.459 19444
211 1 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.224 -0.443 19444
212 1 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.959 0.880 19444
213 1 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.963 0.209 19444
214 1 . 1 1 104 104 LYS H H 104 7.886 7.886 8.034 -0.148 19444
215 1 . 1 1 105 105 ALA N N 105 122.364 122.364 122.511 -0.147 19444
216 1 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.101 -0.141 19444
217 1 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.912 0.126 19444
218 1 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.090 -0.149 19444
219 1 . 1 1 105 105 ALA H H 105 7.343 7.343 7.615 -0.272 19444
220 1 . 1 1 106 106 ILE N N 106 119.713 119.713 119.328 0.385 19444
221 1 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.633 -0.155 19444
222 1 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.219 0.979 19444
223 1 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.404 0.119 19444
224 1 . 1 1 106 106 ILE H H 106 8.124 8.124 8.167 -0.043 19444
225 1 . 1 1 107 107 PHE N N 107 117.557 117.557 118.689 -1.132 19444
226 1 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.589 -0.143 19444
227 1 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.590 -2.663 19444
228 1 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.998 -0.734 19444
229 1 . 1 1 107 107 PHE H H 107 8.448 8.448 8.109 0.339 19444
230 1 . 1 1 108 108 ARG N N 108 117.407 117.407 118.642 -1.235 19444
231 1 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.212 -0.129 19444
232 1 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.347 0.282 19444
233 1 . 1 1 108 108 ARG CB C 108 30.460 30.460 30.010 0.450 19444
234 1 . 1 1 108 108 ARG H H 108 7.568 7.568 8.349 -0.781 19444
235 1 . 1 1 109 109 ARG N N 109 117.561 117.561 117.737 -0.176 19444
236 1 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.133 -0.135 19444
237 1 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.171 -0.616 19444
238 1 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.425 0.162 19444
239 1 . 1 1 109 109 ARG H H 109 7.281 7.281 7.929 -0.648 19444
240 1 . 1 1 110 110 TYR N N 110 116.115 116.115 117.494 -1.379 19444
241 1 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.093 0.235 19444
242 1 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.165 -0.663 19444
243 1 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.461 -0.972 19444
244 1 . 1 1 110 110 TYR H H 110 8.877 8.877 8.259 0.618 19444
245 1 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.641 -0.162 19444
246 1 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.350 0.443 19444
247 1 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.171 -0.500 19444
248 1 . 1 1 112 112 HIS N N 112 116.277 116.277 115.979 0.298 19444
249 1 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.487 -0.055 19444
250 1 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.378 1.096 19444
251 1 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.922 0.899 19444
252 1 . 1 1 112 112 HIS H H 112 8.300 8.300 8.502 -0.202 19444
253 1 . 1 1 113 113 LEU N N 113 120.770 120.770 119.607 1.163 19444
254 1 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.138 -0.037 19444
255 1 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.377 -1.174 19444
256 1 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.517 1.360 19444
257 1 . 1 1 113 113 LEU H H 113 7.518 7.518 7.150 0.368 19444
stop_
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