data_18084
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18084
_Entry.PDB_ID 2LLQ
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 18084
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 GLU N N 83 119.694 119.694 120.863 -1.169 18084
2 1 1 . 1 1 2 2 GLU HA H 83 4.059 4.059 3.999 0.060 18084
3 1 1 . 1 1 2 2 GLU CA C 83 59.784 59.784 59.802 -0.018 18084
4 1 1 . 1 1 2 2 GLU CB C 83 29.191 29.191 29.219 -0.028 18084
5 1 1 . 1 1 2 2 GLU H H 83 8.307 8.307 8.507 -0.200 18084
6 1 1 . 1 1 3 3 GLU N N 84 120.715 120.715 118.963 1.752 18084
7 1 1 . 1 1 3 3 GLU HA H 84 4.064 4.064 4.113 -0.049 18084
8 1 1 . 1 1 3 3 GLU CA C 84 59.505 59.505 59.228 0.277 18084
9 1 1 . 1 1 3 3 GLU CB C 84 30.028 30.028 28.659 1.369 18084
10 1 1 . 1 1 3 3 GLU H H 84 7.675 7.675 8.781 -1.106 18084
11 1 1 . 1 1 4 4 ILE N N 85 121.349 121.349 119.415 1.934 18084
12 1 1 . 1 1 4 4 ILE HA H 85 3.866 3.866 3.869 -0.003 18084
13 1 1 . 1 1 4 4 ILE CA C 85 65.483 65.483 64.743 0.740 18084
14 1 1 . 1 1 4 4 ILE CB C 85 37.465 37.465 37.519 -0.054 18084
15 1 1 . 1 1 4 4 ILE H H 85 7.940 7.940 7.746 0.194 18084
16 1 1 . 1 1 5 5 ARG N N 86 122.126 122.126 120.373 1.753 18084
17 1 1 . 1 1 5 5 ARG HA H 86 4.223 4.223 4.031 0.192 18084
18 1 1 . 1 1 5 5 ARG CA C 86 60.172 60.172 59.768 0.404 18084
19 1 1 . 1 1 5 5 ARG CB C 86 29.624 29.624 30.238 -0.614 18084
20 1 1 . 1 1 5 5 ARG H H 86 8.535 8.535 7.730 0.805 18084
21 1 1 . 1 1 6 6 GLU N N 87 118.362 118.362 118.236 0.126 18084
22 1 1 . 1 1 6 6 GLU HA H 87 4.067 4.067 4.165 -0.098 18084
23 1 1 . 1 1 6 6 GLU CA C 87 59.261 59.261 58.499 0.762 18084
24 1 1 . 1 1 6 6 GLU CB C 87 29.515 29.515 29.209 0.306 18084
25 1 1 . 1 1 6 6 GLU H H 87 8.232 8.232 8.325 -0.093 18084
26 1 1 . 1 1 7 7 ALA N N 88 121.569 121.569 122.846 -1.277 18084
27 1 1 . 1 1 7 7 ALA HA H 88 4.205 4.205 3.954 0.251 18084
28 1 1 . 1 1 7 7 ALA CA C 88 55.505 55.505 54.815 0.690 18084
29 1 1 . 1 1 7 7 ALA CB C 88 17.919 17.919 17.772 0.147 18084
30 1 1 . 1 1 7 7 ALA H H 88 8.011 8.011 7.990 0.021 18084
31 1 1 . 1 1 8 8 PHE N N 89 119.066 119.066 118.722 0.344 18084
32 1 1 . 1 1 8 8 PHE HA H 89 3.295 3.295 3.534 -0.239 18084
33 1 1 . 1 1 8 8 PHE CA C 89 62.428 62.428 61.818 0.610 18084
34 1 1 . 1 1 8 8 PHE CB C 89 39.058 39.058 38.913 0.145 18084
35 1 1 . 1 1 8 8 PHE H H 89 8.682 8.682 7.597 1.085 18084
36 1 1 . 1 1 9 9 ARG N N 90 115.506 115.506 118.310 -2.804 18084
37 1 1 . 1 1 9 9 ARG HA H 90 3.894 3.894 4.104 -0.210 18084
38 1 1 . 1 1 9 9 ARG CA C 90 58.779 58.779 58.525 0.254 18084
39 1 1 . 1 1 9 9 ARG CB C 90 30.526 30.526 29.287 1.239 18084
40 1 1 . 1 1 9 9 ARG H H 90 7.803 7.803 7.500 0.303 18084
41 1 1 . 1 1 10 10 VAL N N 91 118.528 118.528 117.821 0.707 18084
42 1 1 . 1 1 10 10 VAL HA H 91 3.498 3.498 3.910 -0.412 18084
43 1 1 . 1 1 10 10 VAL CA C 91 65.886 65.886 65.566 0.320 18084
44 1 1 . 1 1 10 10 VAL CB C 91 31.135 31.135 31.767 -0.632 18084
45 1 1 . 1 1 10 10 VAL H H 91 7.457 7.457 7.625 -0.168 18084
46 1 1 . 1 1 11 11 PHE N N 92 114.999 114.999 116.139 -1.140 18084
47 1 1 . 1 1 11 11 PHE HA H 92 4.182 4.182 4.315 -0.133 18084
48 1 1 . 1 1 11 11 PHE CA C 92 60.728 60.728 57.622 3.106 18084
49 1 1 . 1 1 11 11 PHE CB C 92 41.596 41.596 38.651 2.945 18084
50 1 1 . 1 1 11 11 PHE H H 92 7.119 7.119 7.955 -0.836 18084
51 1 1 . 1 1 12 12 ASP N N 93 116.105 116.105 119.463 -3.358 18084
52 1 1 . 1 1 12 12 ASP HA H 93 4.609 4.609 4.844 -0.235 18084
53 1 1 . 1 1 12 12 ASP CA C 93 52.575 52.575 53.883 -1.308 18084
54 1 1 . 1 1 12 12 ASP CB C 93 38.699 38.699 40.672 -1.973 18084
55 1 1 . 1 1 12 12 ASP H H 93 7.966 7.966 7.934 0.033 18084
56 1 1 . 1 1 13 13 LYS N N 94 126.306 126.306 127.056 -0.750 18084
57 1 1 . 1 1 13 13 LYS HA H 94 3.956 3.956 4.338 -0.382 18084
58 1 1 . 1 1 13 13 LYS CA C 94 59.124 59.124 57.874 1.250 18084
59 1 1 . 1 1 13 13 LYS CB C 94 32.783 32.783 33.175 -0.392 18084
60 1 1 . 1 1 13 13 LYS H H 94 7.912 7.912 8.595 -0.683 18084
61 1 1 . 1 1 14 14 ASP N N 95 114.408 114.408 118.717 -4.309 18084
62 1 1 . 1 1 14 14 ASP HA H 95 4.574 4.574 4.500 0.074 18084
63 1 1 . 1 1 14 14 ASP CA C 95 53.094 53.094 54.988 -1.894 18084
64 1 1 . 1 1 14 14 ASP CB C 95 39.625 39.625 41.467 -1.841 18084
65 1 1 . 1 1 14 14 ASP H H 95 8.210 8.210 8.113 0.097 18084
66 1 1 . 1 1 15 15 GLY N N 96 109.216 109.216 110.079 -0.863 18084
67 1 1 . 1 1 15 15 GLY CA C 96 47.204 47.204 45.305 1.899 18084
68 1 1 . 1 1 15 15 GLY H H 96 7.789 7.789 8.757 -0.968 18084
69 1 1 . 1 1 16 16 ASN N N 97 119.756 119.756 118.613 1.143 18084
70 1 1 . 1 1 16 16 ASN HA H 97 4.670 4.670 4.855 -0.185 18084
71 1 1 . 1 1 16 16 ASN CA C 97 52.817 52.817 52.053 0.764 18084
72 1 1 . 1 1 16 16 ASN CB C 97 38.260 38.260 39.643 -1.383 18084
73 1 1 . 1 1 16 16 ASN H H 97 8.376 8.376 8.950 -0.574 18084
74 1 1 . 1 1 17 17 GLY N N 98 112.788 112.788 109.238 3.550 18084
75 1 1 . 1 1 17 17 GLY CA C 98 45.075 45.075 46.037 -0.962 18084
76 1 1 . 1 1 17 17 GLY H H 98 10.652 10.652 9.066 1.586 18084
77 1 1 . 1 1 18 18 TYR N N 99 116.107 116.107 117.055 -0.948 18084
78 1 1 . 1 1 18 18 TYR HA H 99 5.061 5.061 5.014 0.047 18084
79 1 1 . 1 1 18 18 TYR CA C 99 56.262 56.262 56.973 -0.711 18084
80 1 1 . 1 1 18 18 TYR CB C 99 43.007 43.007 42.173 0.834 18084
81 1 1 . 1 1 18 18 TYR H H 99 7.674 7.674 7.948 -0.274 18084
82 1 1 . 1 1 19 19 ILE N N 100 127.280 127.280 125.194 2.086 18084
83 1 1 . 1 1 19 19 ILE HA H 100 4.720 4.720 4.141 0.579 18084
84 1 1 . 1 1 19 19 ILE CA C 100 61.231 61.231 60.962 0.269 18084
85 1 1 . 1 1 19 19 ILE CB C 100 39.342 39.342 37.682 1.660 18084
86 1 1 . 1 1 19 19 ILE H H 100 10.172 10.172 8.356 1.816 18084
87 1 1 . 1 1 20 20 SER N N 101 123.721 123.721 122.747 0.974 18084
88 1 1 . 1 1 20 20 SER HA H 101 4.959 4.959 4.701 0.258 18084
89 1 1 . 1 1 20 20 SER CA C 101 55.629 55.629 56.544 -0.915 18084
90 1 1 . 1 1 20 20 SER CB C 101 66.984 66.984 65.261 1.723 18084
91 1 1 . 1 1 20 20 SER H H 101 8.978 8.978 8.236 0.742 18084
92 1 1 . 1 1 21 21 ALA N N 102 123.086 123.086 127.327 -4.241 18084
93 1 1 . 1 1 21 21 ALA HA H 102 3.920 3.920 4.032 -0.112 18084
94 1 1 . 1 1 21 21 ALA CA C 102 55.987 55.987 55.466 0.521 18084
95 1 1 . 1 1 21 21 ALA CB C 102 18.036 18.036 18.615 -0.579 18084
96 1 1 . 1 1 21 21 ALA H H 102 9.212 9.212 9.009 0.203 18084
97 1 1 . 1 1 22 22 ALA N N 103 118.515 118.515 120.137 -1.622 18084
98 1 1 . 1 1 22 22 ALA HA H 103 4.066 4.066 3.979 0.087 18084
99 1 1 . 1 1 22 22 ALA CA C 103 55.277 55.277 54.812 0.465 18084
100 1 1 . 1 1 22 22 ALA CB C 103 18.403 18.403 18.251 0.152 18084
101 1 1 . 1 1 22 22 ALA H H 103 8.234 8.234 8.393 -0.159 18084
102 1 1 . 1 1 23 23 GLU N N 104 120.368 120.368 118.625 1.743 18084
103 1 1 . 1 1 23 23 GLU HA H 104 4.052 4.052 4.072 -0.020 18084
104 1 1 . 1 1 23 23 GLU CA C 104 59.617 59.617 59.115 0.502 18084
105 1 1 . 1 1 23 23 GLU CB C 104 29.263 29.263 29.438 -0.175 18084
106 1 1 . 1 1 23 23 GLU H H 104 7.863 7.863 8.271 -0.408 18084
107 1 1 . 1 1 24 24 LEU N N 105 121.416 121.416 120.995 0.421 18084
108 1 1 . 1 1 24 24 LEU HA H 105 4.187 4.187 3.966 0.221 18084
109 1 1 . 1 1 24 24 LEU CA C 105 58.561 58.561 57.374 1.187 18084
110 1 1 . 1 1 24 24 LEU CB C 105 42.122 42.122 41.715 0.407 18084
111 1 1 . 1 1 24 24 LEU H H 105 8.502 8.502 8.585 -0.083 18084
112 1 1 . 1 1 25 25 ARG N N 106 118.344 118.344 118.978 -0.634 18084
113 1 1 . 1 1 25 25 ARG HA H 106 3.710 3.710 3.805 -0.095 18084
114 1 1 . 1 1 25 25 ARG CA C 106 60.063 60.063 60.302 -0.239 18084
115 1 1 . 1 1 25 25 ARG CB C 106 30.399 30.399 29.753 0.646 18084
116 1 1 . 1 1 25 25 ARG H H 106 8.691 8.691 7.883 0.808 18084
117 1 1 . 1 1 26 26 HIS N N 107 119.487 119.487 119.812 -0.325 18084
118 1 1 . 1 1 26 26 HIS HA H 107 4.307 4.307 4.317 -0.010 18084
119 1 1 . 1 1 26 26 HIS CA C 107 60.105 60.105 59.117 0.988 18084
120 1 1 . 1 1 26 26 HIS CB C 107 30.761 30.761 30.006 0.755 18084
121 1 1 . 1 1 26 26 HIS H H 107 7.960 7.960 7.588 0.372 18084
122 1 1 . 1 1 27 27 VAL N N 108 119.546 119.546 119.877 -0.331 18084
123 1 1 . 1 1 27 27 VAL HA H 108 3.513 3.513 3.391 0.122 18084
124 1 1 . 1 1 27 27 VAL CA C 108 66.746 66.746 66.366 0.380 18084
125 1 1 . 1 1 27 27 VAL CB C 108 31.783 31.783 31.225 0.558 18084
126 1 1 . 1 1 27 27 VAL H H 108 7.896 7.896 7.356 0.540 18084
127 1 1 . 1 1 28 28 MET N N 109 115.613 115.613 116.762 -1.149 18084
128 1 1 . 1 1 28 28 MET HA H 109 4.359 4.359 4.168 0.191 18084
129 1 1 . 1 1 28 28 MET CA C 109 57.020 57.020 57.388 -0.368 18084
130 1 1 . 1 1 28 28 MET CB C 109 29.108 29.108 31.936 -2.828 18084
131 1 1 . 1 1 28 28 MET H H 109 8.348 8.348 8.498 -0.150 18084
132 1 1 . 1 1 29 29 THR N N 110 116.414 116.414 113.785 2.629 18084
133 1 1 . 1 1 29 29 THR HA H 110 4.115 4.115 4.029 0.086 18084
134 1 1 . 1 1 29 29 THR CA C 110 66.511 66.511 65.802 0.709 18084
135 1 1 . 1 1 29 29 THR CB C 110 68.667 68.667 68.353 0.314 18084
136 1 1 . 1 1 29 29 THR H H 110 8.318 8.318 8.294 0.024 18084
137 1 1 . 1 1 30 30 ASN N N 111 123.002 123.002 119.926 3.076 18084
138 1 1 . 1 1 30 30 ASN HA H 111 4.476 4.476 4.432 0.044 18084
139 1 1 . 1 1 30 30 ASN CA C 111 55.892 55.892 55.048 0.843 18084
140 1 1 . 1 1 30 30 ASN CB C 111 38.279 38.279 38.499 -0.220 18084
141 1 1 . 1 1 30 30 ASN H H 111 7.792 7.792 7.595 0.197 18084
142 1 1 . 1 1 31 31 LEU N N 112 119.010 119.010 118.754 0.256 18084
143 1 1 . 1 1 31 31 LEU HA H 112 4.331 4.331 4.082 0.249 18084
144 1 1 . 1 1 31 31 LEU CA C 112 55.619 55.619 56.469 -0.850 18084
145 1 1 . 1 1 31 31 LEU CB C 112 42.190 42.190 42.402 -0.212 18084
146 1 1 . 1 1 31 31 LEU H H 112 7.788 7.788 7.432 0.356 18084
147 1 1 . 1 1 32 32 GLY N N 113 106.844 106.844 105.728 1.116 18084
148 1 1 . 1 1 32 32 GLY CA C 113 45.330 45.330 44.697 0.633 18084
149 1 1 . 1 1 32 32 GLY H H 113 7.816 7.816 7.313 0.503 18084
150 1 1 . 1 1 33 33 GLU N N 114 120.325 120.325 124.402 -4.077 18084
151 1 1 . 1 1 33 33 GLU HA H 114 4.454 4.454 4.268 0.186 18084
152 1 1 . 1 1 33 33 GLU CA C 114 55.014 55.014 56.053 -1.039 18084
153 1 1 . 1 1 33 33 GLU CB C 114 30.494 30.494 29.124 1.370 18084
154 1 1 . 1 1 33 33 GLU H H 114 7.888 7.888 8.694 -0.806 18084
155 1 1 . 1 1 34 34 LYS N N 115 125.103 125.103 125.214 -0.111 18084
156 1 1 . 1 1 34 34 LYS HA H 115 4.401 4.401 4.234 0.167 18084
157 1 1 . 1 1 34 34 LYS CA C 115 55.500 55.500 56.247 -0.747 18084
158 1 1 . 1 1 34 34 LYS CB C 115 31.970 31.970 32.281 -0.311 18084
159 1 1 . 1 1 34 34 LYS H H 115 8.576 8.576 8.160 0.416 18084
160 1 1 . 1 1 35 35 LEU N N 116 124.861 124.861 126.793 -1.932 18084
161 1 1 . 1 1 35 35 LEU HA H 116 4.759 4.759 4.535 0.224 18084
162 1 1 . 1 1 35 35 LEU CA C 116 54.130 54.130 53.620 0.510 18084
163 1 1 . 1 1 35 35 LEU CB C 116 44.629 44.629 43.062 1.567 18084
164 1 1 . 1 1 35 35 LEU H H 116 8.002 8.002 8.430 -0.428 18084
165 1 1 . 1 1 36 36 THR N N 117 114.594 114.594 112.563 2.031 18084
166 1 1 . 1 1 36 36 THR HA H 117 4.601 4.601 4.372 0.229 18084
167 1 1 . 1 1 36 36 THR CA C 117 60.777 60.777 61.154 -0.377 18084
168 1 1 . 1 1 36 36 THR CB C 117 71.180 71.180 70.388 0.792 18084
169 1 1 . 1 1 36 36 THR H H 117 9.238 9.238 9.376 -0.138 18084
170 1 1 . 1 1 37 37 ASP N N 118 121.017 121.017 121.361 -0.344 18084
171 1 1 . 1 1 37 37 ASP HA H 118 4.216 4.216 4.276 -0.060 18084
172 1 1 . 1 1 37 37 ASP CA C 118 58.138 58.138 58.892 -0.753 18084
173 1 1 . 1 1 37 37 ASP CB C 118 39.658 39.658 40.610 -0.952 18084
174 1 1 . 1 1 37 37 ASP H H 118 8.854 8.854 8.838 0.016 18084
175 1 1 . 1 1 38 38 GLU N N 119 119.262 119.262 118.768 0.494 18084
176 1 1 . 1 1 38 38 GLU HA H 119 4.113 4.113 4.094 0.019 18084
177 1 1 . 1 1 38 38 GLU CA C 119 59.919 59.919 59.540 0.379 18084
178 1 1 . 1 1 38 38 GLU CB C 119 29.132 29.132 29.299 -0.167 18084
179 1 1 . 1 1 38 38 GLU H H 119 8.629 8.629 8.814 -0.185 18084
180 1 1 . 1 1 39 39 GLU N N 120 118.567 118.567 120.072 -1.505 18084
181 1 1 . 1 1 39 39 GLU HA H 120 4.074 4.074 4.027 0.047 18084
182 1 1 . 1 1 39 39 GLU CA C 120 59.391 59.391 59.421 -0.030 18084
183 1 1 . 1 1 39 39 GLU CB C 120 30.211 30.211 29.639 0.572 18084
184 1 1 . 1 1 39 39 GLU H H 120 8.097 8.097 7.521 0.576 18084
185 1 1 . 1 1 40 40 VAL N N 121 120.686 120.686 120.412 0.274 18084
186 1 1 . 1 1 40 40 VAL HA H 121 3.465 3.465 3.665 -0.200 18084
187 1 1 . 1 1 40 40 VAL CA C 121 66.809 66.809 67.143 -0.334 18084
188 1 1 . 1 1 40 40 VAL CB C 121 31.587 31.587 31.569 0.018 18084
189 1 1 . 1 1 40 40 VAL H H 121 7.969 7.969 8.161 -0.192 18084
190 1 1 . 1 1 41 41 ASP N N 122 119.330 119.330 120.133 -0.803 18084
191 1 1 . 1 1 41 41 ASP HA H 122 4.348 4.348 4.298 0.050 18084
192 1 1 . 1 1 41 41 ASP CA C 122 57.868 57.868 57.756 0.112 18084
193 1 1 . 1 1 41 41 ASP CB C 122 40.541 40.541 40.997 -0.456 18084
194 1 1 . 1 1 41 41 ASP H H 122 7.972 7.972 8.196 -0.224 18084
195 1 1 . 1 1 42 42 GLU N N 123 119.682 119.682 120.170 -0.488 18084
196 1 1 . 1 1 42 42 GLU HA H 123 3.975 3.975 3.910 0.065 18084
197 1 1 . 1 1 42 42 GLU CA C 123 59.521 59.521 59.432 0.089 18084
198 1 1 . 1 1 42 42 GLU CB C 123 29.566 29.566 29.571 -0.005 18084
199 1 1 . 1 1 42 42 GLU H H 123 8.016 8.016 8.283 -0.267 18084
200 1 1 . 1 1 43 43 MET N N 124 119.466 119.466 117.133 2.333 18084
201 1 1 . 1 1 43 43 MET HA H 124 4.123 4.123 4.154 -0.031 18084
202 1 1 . 1 1 43 43 MET CA C 124 60.111 60.111 59.422 0.689 18084
203 1 1 . 1 1 43 43 MET CB C 124 33.358 33.358 32.715 0.644 18084
204 1 1 . 1 1 43 43 MET H H 124 7.825 7.825 7.885 -0.060 18084
205 1 1 . 1 1 44 44 ILE N N 125 119.195 119.195 115.139 4.056 18084
206 1 1 . 1 1 44 44 ILE HA H 125 3.821 3.821 3.890 -0.069 18084
207 1 1 . 1 1 44 44 ILE CA C 125 63.732 63.732 62.952 0.780 18084
208 1 1 . 1 1 44 44 ILE CB C 125 36.277 36.277 37.224 -0.947 18084
209 1 1 . 1 1 44 44 ILE H H 125 7.952 7.952 7.301 0.651 18084
210 1 1 . 1 1 45 45 ARG N N 126 118.673 118.673 118.903 -0.230 18084
211 1 1 . 1 1 45 45 ARG HA H 126 4.063 4.063 4.130 -0.067 18084
212 1 1 . 1 1 45 45 ARG CA C 126 59.825 59.825 59.135 0.690 18084
213 1 1 . 1 1 45 45 ARG CB C 126 30.427 30.427 30.368 0.059 18084
214 1 1 . 1 1 45 45 ARG H H 126 8.492 8.492 8.277 0.214 18084
215 1 1 . 1 1 46 46 GLU N N 127 116.432 116.432 116.265 0.167 18084
216 1 1 . 1 1 46 46 GLU HA H 127 4.036 4.036 4.346 -0.310 18084
217 1 1 . 1 1 46 46 GLU CA C 127 58.676 58.676 57.270 1.406 18084
218 1 1 . 1 1 46 46 GLU CB C 127 29.842 29.842 29.959 -0.117 18084
219 1 1 . 1 1 46 46 GLU H H 127 7.944 7.944 8.092 -0.148 18084
220 1 1 . 1 1 47 47 ALA N N 128 118.021 118.021 120.322 -2.301 18084
221 1 1 . 1 1 47 47 ALA HA H 128 4.466 4.466 4.462 0.004 18084
222 1 1 . 1 1 47 47 ALA CA C 128 51.798 51.798 51.484 0.314 18084
223 1 1 . 1 1 47 47 ALA CB C 128 22.115 22.115 19.729 2.386 18084
224 1 1 . 1 1 47 47 ALA H H 128 7.195 7.195 7.328 -0.133 18084
225 1 1 . 1 1 48 48 ASP N N 129 117.984 117.984 117.942 0.042 18084
226 1 1 . 1 1 48 48 ASP HA H 129 4.494 4.494 5.002 -0.508 18084
227 1 1 . 1 1 48 48 ASP CA C 129 54.472 54.472 53.774 0.698 18084
228 1 1 . 1 1 48 48 ASP CB C 129 40.753 40.753 42.566 -1.813 18084
229 1 1 . 1 1 48 48 ASP H H 129 8.024 8.024 7.386 0.638 18084
230 1 1 . 1 1 49 49 ILE N N 130 127.861 127.861 125.481 2.380 18084
231 1 1 . 1 1 49 49 ILE HA H 130 3.918 3.918 4.276 -0.358 18084
232 1 1 . 1 1 49 49 ILE CA C 130 63.240 63.240 61.660 1.580 18084
233 1 1 . 1 1 49 49 ILE CB C 130 38.809 38.809 39.634 -0.825 18084
234 1 1 . 1 1 49 49 ILE H H 130 8.302 8.302 9.683 -1.381 18084
235 1 1 . 1 1 50 50 ASP N N 131 116.838 116.838 121.335 -4.497 18084
236 1 1 . 1 1 50 50 ASP HA H 131 4.541 4.541 4.564 -0.023 18084
237 1 1 . 1 1 50 50 ASP CA C 131 54.045 54.045 54.568 -0.523 18084
238 1 1 . 1 1 50 50 ASP CB C 131 39.947 39.947 41.194 -1.247 18084
239 1 1 . 1 1 50 50 ASP H H 131 8.350 8.350 9.055 -0.705 18084
240 1 1 . 1 1 51 51 GLY N N 132 108.737 108.737 109.671 -0.934 18084
241 1 1 . 1 1 51 51 GLY CA C 132 47.528 47.528 45.462 2.066 18084
242 1 1 . 1 1 51 51 GLY H H 132 7.634 7.634 8.439 -0.805 18084
243 1 1 . 1 1 52 52 ASP N N 133 120.912 120.912 120.148 0.764 18084
244 1 1 . 1 1 52 52 ASP HA H 133 4.486 4.486 4.647 -0.161 18084
245 1 1 . 1 1 52 52 ASP CA C 133 53.799 53.799 53.659 0.140 18084
246 1 1 . 1 1 52 52 ASP CB C 133 40.223 40.223 42.674 -2.451 18084
247 1 1 . 1 1 52 52 ASP H H 133 8.390 8.390 9.053 -0.663 18084
248 1 1 . 1 1 53 53 GLY N N 134 112.792 112.792 110.230 2.562 18084
249 1 1 . 1 1 53 53 GLY CA C 134 45.957 45.957 45.517 0.440 18084
250 1 1 . 1 1 53 53 GLY H H 134 10.276 10.276 8.991 1.285 18084
251 1 1 . 1 1 54 54 GLN N N 135 115.190 115.190 117.950 -2.760 18084
252 1 1 . 1 1 54 54 GLN HA H 135 4.960 4.960 4.728 0.232 18084
253 1 1 . 1 1 54 54 GLN CA C 135 53.311 53.311 53.718 -0.407 18084
254 1 1 . 1 1 54 54 GLN CB C 135 32.662 32.662 32.742 -0.080 18084
255 1 1 . 1 1 54 54 GLN H H 135 7.993 7.993 8.096 -0.103 18084
256 1 1 . 1 1 55 55 VAL N N 136 125.623 125.623 117.262 8.361 18084
257 1 1 . 1 1 55 55 VAL HA H 136 5.230 5.230 4.788 0.442 18084
258 1 1 . 1 1 55 55 VAL CA C 136 61.782 61.782 61.197 0.585 18084
259 1 1 . 1 1 55 55 VAL CB C 136 33.899 33.899 32.377 1.522 18084
260 1 1 . 1 1 55 55 VAL H H 136 9.081 9.081 8.055 1.026 18084
261 1 1 . 1 1 56 56 ASN N N 137 129.390 129.390 125.031 4.359 18084
262 1 1 . 1 1 56 56 ASN HA H 137 5.331 5.331 5.147 0.184 18084
263 1 1 . 1 1 56 56 ASN CA C 137 51.131 51.131 50.996 0.135 18084
264 1 1 . 1 1 56 56 ASN CB C 137 38.423 38.423 40.082 -1.659 18084
265 1 1 . 1 1 56 56 ASN H H 137 9.602 9.602 8.363 1.239 18084
266 1 1 . 1 1 57 57 TYR N N 138 118.471 118.471 121.143 -2.672 18084
267 1 1 . 1 1 57 57 TYR HA H 138 3.400 3.400 3.680 -0.280 18084
268 1 1 . 1 1 57 57 TYR CA C 138 62.542 62.542 63.661 -1.119 18084
269 1 1 . 1 1 57 57 TYR CB C 138 37.957 37.957 38.511 -0.554 18084
270 1 1 . 1 1 57 57 TYR H H 138 8.361 8.361 8.887 -0.526 18084
271 1 1 . 1 1 58 58 GLU N N 139 118.571 118.571 117.824 0.747 18084
272 1 1 . 1 1 58 58 GLU HA H 139 3.634 3.634 3.966 -0.332 18084
273 1 1 . 1 1 58 58 GLU CA C 139 60.285 60.285 59.874 0.410 18084
274 1 1 . 1 1 58 58 GLU CB C 139 28.798 28.798 28.751 0.047 18084
275 1 1 . 1 1 58 58 GLU H H 139 8.061 8.061 8.501 -0.440 18084
276 1 1 . 1 1 59 59 GLU N N 140 119.901 119.901 120.470 -0.569 18084
277 1 1 . 1 1 59 59 GLU HA H 140 3.882 3.882 4.068 -0.186 18084
278 1 1 . 1 1 59 59 GLU CA C 140 58.783 58.783 59.345 -0.562 18084
279 1 1 . 1 1 59 59 GLU CB C 140 29.693 29.693 29.663 0.030 18084
280 1 1 . 1 1 59 59 GLU H H 140 8.699 8.699 9.037 -0.338 18084
281 1 1 . 1 1 60 60 PHE N N 141 123.530 123.530 121.240 2.290 18084
282 1 1 . 1 1 60 60 PHE HA H 141 3.555 3.555 4.246 -0.691 18084
283 1 1 . 1 1 60 60 PHE CA C 141 61.934 61.934 61.750 0.184 18084
284 1 1 . 1 1 60 60 PHE CB C 141 40.046 40.046 39.242 0.804 18084
285 1 1 . 1 1 60 60 PHE H H 141 8.604 8.604 8.876 -0.272 18084
286 1 1 . 1 1 61 61 VAL N N 142 119.574 119.574 120.361 -0.787 18084
287 1 1 . 1 1 61 61 VAL HA H 142 3.039 3.039 3.466 -0.427 18084
288 1 1 . 1 1 61 61 VAL CA C 142 67.003 67.003 67.080 -0.077 18084
289 1 1 . 1 1 61 61 VAL CB C 142 31.519 31.519 31.666 -0.147 18084
290 1 1 . 1 1 61 61 VAL H H 142 8.728 8.728 8.331 0.397 18084
291 1 1 . 1 1 62 62 GLN N N 143 118.463 118.463 119.389 -0.926 18084
292 1 1 . 1 1 62 62 GLN HA H 143 3.836 3.836 3.992 -0.156 18084
293 1 1 . 1 1 62 62 GLN CA C 143 58.888 58.888 58.654 0.234 18084
294 1 1 . 1 1 62 62 GLN CB C 143 28.024 28.024 28.936 -0.912 18084
295 1 1 . 1 1 62 62 GLN H H 143 7.528 7.528 8.229 -0.701 18084
296 1 1 . 1 1 63 63 MET N N 144 117.042 117.042 117.734 -0.692 18084
297 1 1 . 1 1 63 63 MET HA H 144 4.188 4.188 4.157 0.031 18084
298 1 1 . 1 1 63 63 MET CA C 144 56.830 56.830 58.172 -1.342 18084
299 1 1 . 1 1 63 63 MET CB C 144 31.919 31.919 32.637 -0.718 18084
300 1 1 . 1 1 63 63 MET H H 144 7.299 7.299 8.166 -0.868 18084
301 1 1 . 1 1 64 64 MET N N 145 115.614 115.614 116.552 -0.938 18084
302 1 1 . 1 1 64 64 MET HA H 145 4.297 4.297 4.238 0.059 18084
303 1 1 . 1 1 64 64 MET CA C 145 55.443 55.443 56.979 -1.536 18084
304 1 1 . 1 1 64 64 MET CB C 145 33.556 33.556 33.292 0.264 18084
305 1 1 . 1 1 64 64 MET H H 145 7.727 7.727 7.759 -0.032 18084
306 1 1 . 1 1 65 65 THR N N 146 110.331 110.331 115.904 -5.573 18084
307 1 1 . 1 1 65 65 THR HA H 146 4.283 4.283 4.440 -0.157 18084
308 1 1 . 1 1 65 65 THR CA C 146 62.323 62.323 61.170 1.153 18084
309 1 1 . 1 1 65 65 THR CB C 146 70.214 70.214 67.289 2.925 18084
310 1 1 . 1 1 65 65 THR H H 146 7.591 7.591 7.948 -0.357 18084
311 1 1 . 1 1 66 66 ALA N N 147 126.381 126.381 128.024 -1.643 18084
312 1 1 . 1 1 66 66 ALA HA H 147 4.319 4.319 4.554 -0.235 18084
313 1 1 . 1 1 66 66 ALA CA C 147 52.896 52.896 51.167 1.729 18084
314 1 1 . 1 1 66 66 ALA CB C 147 19.066 19.066 20.104 -1.038 18084
315 1 1 . 1 1 66 66 ALA H H 147 7.564 7.564 7.873 -0.309 18084
316 1 2 . 1 1 2 2 GLU N N 83 119.694 119.694 122.125 -2.431 18084
317 1 2 . 1 1 2 2 GLU HA H 83 4.059 4.059 4.044 0.015 18084
318 1 2 . 1 1 2 2 GLU CA C 83 59.784 59.784 59.780 0.004 18084
319 1 2 . 1 1 2 2 GLU CB C 83 29.191 29.191 29.006 0.185 18084
320 1 2 . 1 1 2 2 GLU H H 83 8.307 8.307 8.739 -0.432 18084
321 1 2 . 1 1 3 3 GLU N N 84 120.715 120.715 118.459 2.256 18084
322 1 2 . 1 1 3 3 GLU HA H 84 4.064 4.064 4.155 -0.091 18084
323 1 2 . 1 1 3 3 GLU CA C 84 59.505 59.505 59.336 0.169 18084
324 1 2 . 1 1 3 3 GLU CB C 84 30.028 30.028 28.962 1.066 18084
325 1 2 . 1 1 3 3 GLU H H 84 7.675 7.675 8.829 -1.154 18084
326 1 2 . 1 1 4 4 ILE N N 85 121.349 121.349 119.272 2.077 18084
327 1 2 . 1 1 4 4 ILE HA H 85 3.866 3.866 4.047 -0.181 18084
328 1 2 . 1 1 4 4 ILE CA C 85 65.483 65.483 64.259 1.224 18084
329 1 2 . 1 1 4 4 ILE CB C 85 37.465 37.465 36.675 0.790 18084
330 1 2 . 1 1 4 4 ILE H H 85 7.940 7.940 7.941 -0.001 18084
331 1 2 . 1 1 5 5 ARG N N 86 122.126 122.126 121.053 1.073 18084
332 1 2 . 1 1 5 5 ARG HA H 86 4.223 4.223 4.234 -0.011 18084
333 1 2 . 1 1 5 5 ARG CA C 86 60.172 60.172 59.551 0.621 18084
334 1 2 . 1 1 5 5 ARG CB C 86 29.624 29.624 30.209 -0.584 18084
335 1 2 . 1 1 5 5 ARG H H 86 8.535 8.535 8.671 -0.136 18084
336 1 2 . 1 1 6 6 GLU N N 87 118.362 118.362 118.959 -0.597 18084
337 1 2 . 1 1 6 6 GLU HA H 87 4.067 4.067 4.048 0.019 18084
338 1 2 . 1 1 6 6 GLU CA C 87 59.261 59.261 58.984 0.277 18084
339 1 2 . 1 1 6 6 GLU CB C 87 29.515 29.515 29.157 0.358 18084
340 1 2 . 1 1 6 6 GLU H H 87 8.232 8.232 8.589 -0.357 18084
341 1 2 . 1 1 7 7 ALA N N 88 121.569 121.569 122.602 -1.033 18084
342 1 2 . 1 1 7 7 ALA HA H 88 4.205 4.205 3.533 0.672 18084
343 1 2 . 1 1 7 7 ALA CA C 88 55.505 55.505 54.958 0.547 18084
344 1 2 . 1 1 7 7 ALA CB C 88 17.919 17.919 18.158 -0.239 18084
345 1 2 . 1 1 7 7 ALA H H 88 8.011 8.011 8.463 -0.452 18084
346 1 2 . 1 1 8 8 PHE N N 89 119.066 119.066 119.652 -0.586 18084
347 1 2 . 1 1 8 8 PHE HA H 89 3.295 3.295 3.704 -0.409 18084
348 1 2 . 1 1 8 8 PHE CA C 89 62.428 62.428 61.275 1.153 18084
349 1 2 . 1 1 8 8 PHE CB C 89 39.058 39.058 38.933 0.125 18084
350 1 2 . 1 1 8 8 PHE H H 89 8.682 8.682 7.723 0.959 18084
351 1 2 . 1 1 9 9 ARG N N 90 115.506 115.506 118.412 -2.906 18084
352 1 2 . 1 1 9 9 ARG HA H 90 3.894 3.894 3.939 -0.045 18084
353 1 2 . 1 1 9 9 ARG CA C 90 58.779 58.779 58.312 0.467 18084
354 1 2 . 1 1 9 9 ARG CB C 90 30.526 30.526 29.540 0.986 18084
355 1 2 . 1 1 9 9 ARG H H 90 7.803 7.803 7.769 0.034 18084
356 1 2 . 1 1 10 10 VAL N N 91 118.528 118.528 118.401 0.127 18084
357 1 2 . 1 1 10 10 VAL HA H 91 3.498 3.498 3.814 -0.316 18084
358 1 2 . 1 1 10 10 VAL CA C 91 65.886 65.886 65.662 0.224 18084
359 1 2 . 1 1 10 10 VAL CB C 91 31.135 31.135 31.672 -0.537 18084
360 1 2 . 1 1 10 10 VAL H H 91 7.457 7.457 7.625 -0.168 18084
361 1 2 . 1 1 11 11 PHE N N 92 114.999 114.999 117.886 -2.887 18084
362 1 2 . 1 1 11 11 PHE HA H 92 4.182 4.182 4.336 -0.154 18084
363 1 2 . 1 1 11 11 PHE CA C 92 60.728 60.728 58.250 2.478 18084
364 1 2 . 1 1 11 11 PHE CB C 92 41.596 41.596 38.534 3.062 18084
365 1 2 . 1 1 11 11 PHE H H 92 7.119 7.119 8.045 -0.926 18084
366 1 2 . 1 1 12 12 ASP N N 93 116.105 116.105 119.808 -3.703 18084
367 1 2 . 1 1 12 12 ASP HA H 93 4.609 4.609 4.850 -0.241 18084
368 1 2 . 1 1 12 12 ASP CA C 93 52.575 52.575 53.438 -0.863 18084
369 1 2 . 1 1 12 12 ASP CB C 93 38.699 38.699 39.794 -1.095 18084
370 1 2 . 1 1 12 12 ASP H H 93 7.966 7.966 7.740 0.226 18084
371 1 2 . 1 1 13 13 LYS N N 94 126.306 126.306 127.066 -0.760 18084
372 1 2 . 1 1 13 13 LYS HA H 94 3.956 3.956 4.298 -0.342 18084
373 1 2 . 1 1 13 13 LYS CA C 94 59.124 59.124 57.781 1.343 18084
374 1 2 . 1 1 13 13 LYS CB C 94 32.783 32.783 32.907 -0.124 18084
375 1 2 . 1 1 13 13 LYS H H 94 7.912 7.912 8.209 -0.297 18084
376 1 2 . 1 1 14 14 ASP N N 95 114.408 114.408 118.554 -4.146 18084
377 1 2 . 1 1 14 14 ASP HA H 95 4.574 4.574 4.498 0.076 18084
378 1 2 . 1 1 14 14 ASP CA C 95 53.094 53.094 54.732 -1.638 18084
379 1 2 . 1 1 14 14 ASP CB C 95 39.625 39.625 41.373 -1.748 18084
380 1 2 . 1 1 14 14 ASP H H 95 8.210 8.210 8.157 0.053 18084
381 1 2 . 1 1 15 15 GLY N N 96 109.216 109.216 110.197 -0.981 18084
382 1 2 . 1 1 15 15 GLY CA C 96 47.204 47.204 45.275 1.929 18084
383 1 2 . 1 1 15 15 GLY H H 96 7.789 7.789 8.594 -0.805 18084
384 1 2 . 1 1 16 16 ASN N N 97 119.756 119.756 118.464 1.292 18084
385 1 2 . 1 1 16 16 ASN HA H 97 4.670 4.670 4.837 -0.167 18084
386 1 2 . 1 1 16 16 ASN CA C 97 52.817 52.817 52.143 0.674 18084
387 1 2 . 1 1 16 16 ASN CB C 97 38.260 38.260 39.636 -1.376 18084
388 1 2 . 1 1 16 16 ASN H H 97 8.376 8.376 8.623 -0.247 18084
389 1 2 . 1 1 17 17 GLY N N 98 112.788 112.788 109.008 3.780 18084
390 1 2 . 1 1 17 17 GLY CA C 98 45.075 45.075 45.866 -0.791 18084
391 1 2 . 1 1 17 17 GLY H H 98 10.652 10.652 8.761 1.891 18084
392 1 2 . 1 1 18 18 TYR N N 99 116.107 116.107 117.087 -0.980 18084
393 1 2 . 1 1 18 18 TYR HA H 99 5.061 5.061 4.994 0.067 18084
394 1 2 . 1 1 18 18 TYR CA C 99 56.262 56.262 56.844 -0.582 18084
395 1 2 . 1 1 18 18 TYR CB C 99 43.007 43.007 42.151 0.856 18084
396 1 2 . 1 1 18 18 TYR H H 99 7.674 7.674 8.167 -0.493 18084
397 1 2 . 1 1 19 19 ILE N N 100 127.280 127.280 125.148 2.132 18084
398 1 2 . 1 1 19 19 ILE HA H 100 4.720 4.720 4.062 0.658 18084
399 1 2 . 1 1 19 19 ILE CA C 100 61.231 61.231 61.455 -0.224 18084
400 1 2 . 1 1 19 19 ILE CB C 100 39.342 39.342 37.834 1.508 18084
401 1 2 . 1 1 19 19 ILE H H 100 10.172 10.172 8.654 1.518 18084
402 1 2 . 1 1 20 20 SER N N 101 123.721 123.721 122.930 0.791 18084
403 1 2 . 1 1 20 20 SER HA H 101 4.959 4.959 4.639 0.320 18084
404 1 2 . 1 1 20 20 SER CA C 101 55.629 55.629 56.972 -1.343 18084
405 1 2 . 1 1 20 20 SER CB C 101 66.984 66.984 65.103 1.881 18084
406 1 2 . 1 1 20 20 SER H H 101 8.978 8.978 8.756 0.222 18084
407 1 2 . 1 1 21 21 ALA N N 102 123.086 123.086 127.602 -4.516 18084
408 1 2 . 1 1 21 21 ALA HA H 102 3.920 3.920 3.984 -0.064 18084
409 1 2 . 1 1 21 21 ALA CA C 102 55.987 55.987 55.978 0.009 18084
410 1 2 . 1 1 21 21 ALA CB C 102 18.036 18.036 18.624 -0.588 18084
411 1 2 . 1 1 21 21 ALA H H 102 9.212 9.212 9.055 0.157 18084
412 1 2 . 1 1 22 22 ALA N N 103 118.515 118.515 120.672 -2.157 18084
413 1 2 . 1 1 22 22 ALA HA H 103 4.066 4.066 3.916 0.150 18084
414 1 2 . 1 1 22 22 ALA CA C 103 55.277 55.277 55.039 0.238 18084
415 1 2 . 1 1 22 22 ALA CB C 103 18.403 18.403 18.324 0.079 18084
416 1 2 . 1 1 22 22 ALA H H 103 8.234 8.234 8.547 -0.313 18084
417 1 2 . 1 1 23 23 GLU N N 104 120.368 120.368 118.464 1.904 18084
418 1 2 . 1 1 23 23 GLU HA H 104 4.052 4.052 3.992 0.060 18084
419 1 2 . 1 1 23 23 GLU CA C 104 59.617 59.617 58.902 0.715 18084
420 1 2 . 1 1 23 23 GLU CB C 104 29.263 29.263 29.210 0.053 18084
421 1 2 . 1 1 23 23 GLU H H 104 7.863 7.863 7.824 0.039 18084
422 1 2 . 1 1 24 24 LEU N N 105 121.416 121.416 121.099 0.317 18084
423 1 2 . 1 1 24 24 LEU HA H 105 4.187 4.187 3.961 0.226 18084
424 1 2 . 1 1 24 24 LEU CA C 105 58.561 58.561 57.557 1.004 18084
425 1 2 . 1 1 24 24 LEU CB C 105 42.122 42.122 41.734 0.388 18084
426 1 2 . 1 1 24 24 LEU H H 105 8.502 8.502 8.576 -0.074 18084
427 1 2 . 1 1 25 25 ARG N N 106 118.344 118.344 118.422 -0.078 18084
428 1 2 . 1 1 25 25 ARG HA H 106 3.710 3.710 3.827 -0.117 18084
429 1 2 . 1 1 25 25 ARG CA C 106 60.063 60.063 60.564 -0.501 18084
430 1 2 . 1 1 25 25 ARG CB C 106 30.399 30.399 29.823 0.576 18084
431 1 2 . 1 1 25 25 ARG H H 106 8.691 8.691 8.202 0.489 18084
432 1 2 . 1 1 26 26 HIS N N 107 119.487 119.487 118.450 1.037 18084
433 1 2 . 1 1 26 26 HIS HA H 107 4.307 4.307 4.387 -0.080 18084
434 1 2 . 1 1 26 26 HIS CA C 107 60.105 60.105 59.037 1.068 18084
435 1 2 . 1 1 26 26 HIS CB C 107 30.761 30.761 30.069 0.692 18084
436 1 2 . 1 1 26 26 HIS H H 107 7.960 7.960 7.620 0.340 18084
437 1 2 . 1 1 27 27 VAL N N 108 119.546 119.546 120.358 -0.812 18084
438 1 2 . 1 1 27 27 VAL HA H 108 3.513 3.513 3.339 0.174 18084
439 1 2 . 1 1 27 27 VAL CA C 108 66.746 66.746 66.552 0.194 18084
440 1 2 . 1 1 27 27 VAL CB C 108 31.783 31.783 30.934 0.849 18084
441 1 2 . 1 1 27 27 VAL H H 108 7.896 7.896 7.567 0.329 18084
442 1 2 . 1 1 28 28 MET N N 109 115.613 115.613 117.628 -2.015 18084
443 1 2 . 1 1 28 28 MET HA H 109 4.359 4.359 4.085 0.274 18084
444 1 2 . 1 1 28 28 MET CA C 109 57.020 57.020 57.967 -0.947 18084
445 1 2 . 1 1 28 28 MET CB C 109 29.108 29.108 31.645 -2.537 18084
446 1 2 . 1 1 28 28 MET H H 109 8.348 8.348 8.532 -0.184 18084
447 1 2 . 1 1 29 29 THR N N 110 116.414 116.414 115.530 0.884 18084
448 1 2 . 1 1 29 29 THR HA H 110 4.115 4.115 3.883 0.232 18084
449 1 2 . 1 1 29 29 THR CA C 110 66.511 66.511 67.064 -0.553 18084
450 1 2 . 1 1 29 29 THR CB C 110 68.667 68.667 68.451 0.216 18084
451 1 2 . 1 1 29 29 THR H H 110 8.318 8.318 7.778 0.540 18084
452 1 2 . 1 1 30 30 ASN N N 111 123.002 123.002 118.817 4.185 18084
453 1 2 . 1 1 30 30 ASN HA H 111 4.476 4.476 4.521 -0.045 18084
454 1 2 . 1 1 30 30 ASN CA C 111 55.892 55.892 55.108 0.784 18084
455 1 2 . 1 1 30 30 ASN CB C 111 38.279 38.279 38.549 -0.270 18084
456 1 2 . 1 1 30 30 ASN H H 111 7.792 7.792 7.876 -0.084 18084
457 1 2 . 1 1 31 31 LEU N N 112 119.010 119.010 120.091 -1.081 18084
458 1 2 . 1 1 31 31 LEU HA H 112 4.331 4.331 4.186 0.145 18084
459 1 2 . 1 1 31 31 LEU CA C 112 55.619 55.619 56.285 -0.666 18084
460 1 2 . 1 1 31 31 LEU CB C 112 42.190 42.190 42.577 -0.387 18084
461 1 2 . 1 1 31 31 LEU H H 112 7.788 7.788 7.728 0.060 18084
462 1 2 . 1 1 32 32 GLY N N 113 106.844 106.844 105.875 0.969 18084
463 1 2 . 1 1 32 32 GLY CA C 113 45.330 45.330 44.925 0.405 18084
464 1 2 . 1 1 32 32 GLY H H 113 7.816 7.816 7.352 0.464 18084
465 1 2 . 1 1 33 33 GLU N N 114 120.325 120.325 124.034 -3.709 18084
466 1 2 . 1 1 33 33 GLU HA H 114 4.454 4.454 4.332 0.122 18084
467 1 2 . 1 1 33 33 GLU CA C 114 55.014 55.014 55.718 -0.704 18084
468 1 2 . 1 1 33 33 GLU CB C 114 30.494 30.494 29.296 1.198 18084
469 1 2 . 1 1 33 33 GLU H H 114 7.888 7.888 8.457 -0.569 18084
470 1 2 . 1 1 34 34 LYS N N 115 125.103 125.103 126.237 -1.134 18084
471 1 2 . 1 1 34 34 LYS HA H 115 4.401 4.401 4.266 0.135 18084
472 1 2 . 1 1 34 34 LYS CA C 115 55.500 55.500 56.271 -0.771 18084
473 1 2 . 1 1 34 34 LYS CB C 115 31.970 31.970 31.837 0.133 18084
474 1 2 . 1 1 34 34 LYS H H 115 8.576 8.576 8.338 0.238 18084
475 1 2 . 1 1 35 35 LEU N N 116 124.861 124.861 125.593 -0.732 18084
476 1 2 . 1 1 35 35 LEU HA H 116 4.759 4.759 4.637 0.122 18084
477 1 2 . 1 1 35 35 LEU CA C 116 54.130 54.130 52.817 1.313 18084
478 1 2 . 1 1 35 35 LEU CB C 116 44.629 44.629 42.972 1.657 18084
479 1 2 . 1 1 35 35 LEU H H 116 8.002 8.002 8.194 -0.192 18084
480 1 2 . 1 1 36 36 THR N N 117 114.594 114.594 111.497 3.097 18084
481 1 2 . 1 1 36 36 THR HA H 117 4.601 4.601 4.340 0.261 18084
482 1 2 . 1 1 36 36 THR CA C 117 60.777 60.777 60.987 -0.210 18084
483 1 2 . 1 1 36 36 THR CB C 117 71.180 71.180 70.541 0.639 18084
484 1 2 . 1 1 36 36 THR H H 117 9.238 9.238 9.134 0.104 18084
485 1 2 . 1 1 37 37 ASP N N 118 121.017 121.017 120.956 0.061 18084
486 1 2 . 1 1 37 37 ASP HA H 118 4.216 4.216 4.344 -0.128 18084
487 1 2 . 1 1 37 37 ASP CA C 118 58.138 58.138 57.991 0.147 18084
488 1 2 . 1 1 37 37 ASP CB C 118 39.658 39.658 40.946 -1.288 18084
489 1 2 . 1 1 37 37 ASP H H 118 8.854 8.854 8.770 0.084 18084
490 1 2 . 1 1 38 38 GLU N N 119 119.262 119.262 118.494 0.768 18084
491 1 2 . 1 1 38 38 GLU HA H 119 4.113 4.113 4.058 0.055 18084
492 1 2 . 1 1 38 38 GLU CA C 119 59.919 59.919 59.397 0.522 18084
493 1 2 . 1 1 38 38 GLU CB C 119 29.132 29.132 29.463 -0.331 18084
494 1 2 . 1 1 38 38 GLU H H 119 8.629 8.629 8.797 -0.168 18084
495 1 2 . 1 1 39 39 GLU N N 120 118.567 118.567 119.701 -1.134 18084
496 1 2 . 1 1 39 39 GLU HA H 120 4.074 4.074 4.037 0.037 18084
497 1 2 . 1 1 39 39 GLU CA C 120 59.391 59.391 59.360 0.031 18084
498 1 2 . 1 1 39 39 GLU CB C 120 30.211 30.211 29.707 0.504 18084
499 1 2 . 1 1 39 39 GLU H H 120 8.097 8.097 7.547 0.550 18084
500 1 2 . 1 1 40 40 VAL N N 121 120.686 120.686 118.994 1.692 18084
501 1 2 . 1 1 40 40 VAL HA H 121 3.465 3.465 3.711 -0.246 18084
502 1 2 . 1 1 40 40 VAL CA C 121 66.809 66.809 66.052 0.757 18084
503 1 2 . 1 1 40 40 VAL CB C 121 31.587 31.587 30.932 0.655 18084
504 1 2 . 1 1 40 40 VAL H H 121 7.969 7.969 7.465 0.504 18084
505 1 2 . 1 1 41 41 ASP N N 122 119.330 119.330 121.096 -1.766 18084
506 1 2 . 1 1 41 41 ASP HA H 122 4.348 4.348 4.279 0.069 18084
507 1 2 . 1 1 41 41 ASP CA C 122 57.868 57.868 57.996 -0.128 18084
508 1 2 . 1 1 41 41 ASP CB C 122 40.541 40.541 40.917 -0.376 18084
509 1 2 . 1 1 41 41 ASP H H 122 7.972 7.972 8.280 -0.308 18084
510 1 2 . 1 1 42 42 GLU N N 123 119.682 119.682 119.908 -0.226 18084
511 1 2 . 1 1 42 42 GLU HA H 123 3.975 3.975 3.955 0.020 18084
512 1 2 . 1 1 42 42 GLU CA C 123 59.521 59.521 59.369 0.152 18084
513 1 2 . 1 1 42 42 GLU CB C 123 29.566 29.566 29.588 -0.022 18084
514 1 2 . 1 1 42 42 GLU H H 123 8.016 8.016 8.291 -0.275 18084
515 1 2 . 1 1 43 43 MET N N 124 119.466 119.466 118.286 1.180 18084
516 1 2 . 1 1 43 43 MET HA H 124 4.123 4.123 4.028 0.095 18084
517 1 2 . 1 1 43 43 MET CA C 124 60.111 60.111 59.770 0.341 18084
518 1 2 . 1 1 43 43 MET CB C 124 33.358 33.358 32.757 0.601 18084
519 1 2 . 1 1 43 43 MET H H 124 7.825 7.825 7.849 -0.024 18084
520 1 2 . 1 1 44 44 ILE N N 125 119.195 119.195 118.744 0.451 18084
521 1 2 . 1 1 44 44 ILE HA H 125 3.821 3.821 3.776 0.045 18084
522 1 2 . 1 1 44 44 ILE CA C 125 63.732 63.732 64.632 -0.900 18084
523 1 2 . 1 1 44 44 ILE CB C 125 36.277 36.277 36.946 -0.669 18084
524 1 2 . 1 1 44 44 ILE H H 125 7.952 7.952 7.860 0.092 18084
525 1 2 . 1 1 45 45 ARG N N 126 118.673 118.673 119.336 -0.663 18084
526 1 2 . 1 1 45 45 ARG HA H 126 4.063 4.063 3.995 0.068 18084
527 1 2 . 1 1 45 45 ARG CA C 126 59.825 59.825 59.899 -0.074 18084
528 1 2 . 1 1 45 45 ARG CB C 126 30.427 30.427 30.271 0.156 18084
529 1 2 . 1 1 45 45 ARG H H 126 8.492 8.492 8.282 0.210 18084
530 1 2 . 1 1 46 46 GLU N N 127 116.432 116.432 117.151 -0.719 18084
531 1 2 . 1 1 46 46 GLU HA H 127 4.036 4.036 4.231 -0.195 18084
532 1 2 . 1 1 46 46 GLU CA C 127 58.676 58.676 58.078 0.598 18084
533 1 2 . 1 1 46 46 GLU CB C 127 29.842 29.842 30.143 -0.301 18084
534 1 2 . 1 1 46 46 GLU H H 127 7.944 7.944 7.937 0.007 18084
535 1 2 . 1 1 47 47 ALA N N 128 118.021 118.021 119.957 -1.936 18084
536 1 2 . 1 1 47 47 ALA HA H 128 4.466 4.466 4.330 0.137 18084
537 1 2 . 1 1 47 47 ALA CA C 128 51.798 51.798 52.772 -0.974 18084
538 1 2 . 1 1 47 47 ALA CB C 128 22.115 22.115 19.871 2.244 18084
539 1 2 . 1 1 47 47 ALA H H 128 7.195 7.195 7.552 -0.357 18084
540 1 2 . 1 1 48 48 ASP N N 129 117.984 117.984 118.790 -0.806 18084
541 1 2 . 1 1 48 48 ASP HA H 129 4.494 4.494 4.884 -0.390 18084
542 1 2 . 1 1 48 48 ASP CA C 129 54.472 54.472 54.103 0.369 18084
543 1 2 . 1 1 48 48 ASP CB C 129 40.753 40.753 40.919 -0.166 18084
544 1 2 . 1 1 48 48 ASP H H 129 8.024 8.024 8.127 -0.103 18084
545 1 2 . 1 1 49 49 ILE N N 130 127.861 127.861 125.690 2.171 18084
546 1 2 . 1 1 49 49 ILE HA H 130 3.918 3.918 4.118 -0.200 18084
547 1 2 . 1 1 49 49 ILE CA C 130 63.240 63.240 61.985 1.255 18084
548 1 2 . 1 1 49 49 ILE CB C 130 38.809 38.809 38.788 0.021 18084
549 1 2 . 1 1 49 49 ILE H H 130 8.302 8.302 9.267 -0.965 18084
550 1 2 . 1 1 50 50 ASP N N 131 116.838 116.838 120.815 -3.977 18084
551 1 2 . 1 1 50 50 ASP HA H 131 4.541 4.541 4.479 0.062 18084
552 1 2 . 1 1 50 50 ASP CA C 131 54.045 54.045 55.035 -0.990 18084
553 1 2 . 1 1 50 50 ASP CB C 131 39.947 39.947 41.646 -1.699 18084
554 1 2 . 1 1 50 50 ASP H H 131 8.350 8.350 8.887 -0.537 18084
555 1 2 . 1 1 51 51 GLY N N 132 108.737 108.737 109.880 -1.143 18084
556 1 2 . 1 1 51 51 GLY CA C 132 47.528 47.528 45.360 2.168 18084
557 1 2 . 1 1 51 51 GLY H H 132 7.634 7.634 8.541 -0.907 18084
558 1 2 . 1 1 52 52 ASP N N 133 120.912 120.912 120.415 0.497 18084
559 1 2 . 1 1 52 52 ASP HA H 133 4.486 4.486 4.655 -0.169 18084
560 1 2 . 1 1 52 52 ASP CA C 133 53.799 53.799 53.701 0.098 18084
561 1 2 . 1 1 52 52 ASP CB C 133 40.223 40.223 42.739 -2.516 18084
562 1 2 . 1 1 52 52 ASP H H 133 8.390 8.390 8.959 -0.569 18084
563 1 2 . 1 1 53 53 GLY N N 134 112.792 112.792 110.587 2.205 18084
564 1 2 . 1 1 53 53 GLY CA C 134 45.957 45.957 45.306 0.651 18084
565 1 2 . 1 1 53 53 GLY H H 134 10.276 10.276 9.214 1.062 18084
566 1 2 . 1 1 54 54 GLN N N 135 115.190 115.190 117.528 -2.338 18084
567 1 2 . 1 1 54 54 GLN HA H 135 4.960 4.960 4.851 0.109 18084
568 1 2 . 1 1 54 54 GLN CA C 135 53.311 53.311 53.922 -0.612 18084
569 1 2 . 1 1 54 54 GLN CB C 135 32.662 32.662 33.752 -1.090 18084
570 1 2 . 1 1 54 54 GLN H H 135 7.993 7.993 7.914 0.079 18084
571 1 2 . 1 1 55 55 VAL N N 136 125.623 125.623 117.818 7.805 18084
572 1 2 . 1 1 55 55 VAL HA H 136 5.230 5.230 4.928 0.302 18084
573 1 2 . 1 1 55 55 VAL CA C 136 61.782 61.782 60.521 1.261 18084
574 1 2 . 1 1 55 55 VAL CB C 136 33.899 33.899 33.433 0.466 18084
575 1 2 . 1 1 55 55 VAL H H 136 9.081 9.081 8.206 0.875 18084
576 1 2 . 1 1 56 56 ASN N N 137 129.390 129.390 124.551 4.839 18084
577 1 2 . 1 1 56 56 ASN HA H 137 5.331 5.331 5.186 0.145 18084
578 1 2 . 1 1 56 56 ASN CA C 137 51.131 51.131 50.757 0.374 18084
579 1 2 . 1 1 56 56 ASN CB C 137 38.423 38.423 40.169 -1.746 18084
580 1 2 . 1 1 56 56 ASN H H 137 9.602 9.602 8.265 1.337 18084
581 1 2 . 1 1 57 57 TYR N N 138 118.471 118.471 120.975 -2.504 18084
582 1 2 . 1 1 57 57 TYR HA H 138 3.400 3.400 3.382 0.018 18084
583 1 2 . 1 1 57 57 TYR CA C 138 62.542 62.542 63.286 -0.744 18084
584 1 2 . 1 1 57 57 TYR CB C 138 37.957 37.957 38.411 -0.454 18084
585 1 2 . 1 1 57 57 TYR H H 138 8.361 8.361 8.576 -0.215 18084
586 1 2 . 1 1 58 58 GLU N N 139 118.571 118.571 118.479 0.092 18084
587 1 2 . 1 1 58 58 GLU HA H 139 3.634 3.634 3.769 -0.135 18084
588 1 2 . 1 1 58 58 GLU CA C 139 60.285 60.285 60.178 0.107 18084
589 1 2 . 1 1 58 58 GLU CB C 139 28.798 28.798 28.918 -0.120 18084
590 1 2 . 1 1 58 58 GLU H H 139 8.061 8.061 8.409 -0.348 18084
591 1 2 . 1 1 59 59 GLU N N 140 119.901 119.901 119.806 0.095 18084
592 1 2 . 1 1 59 59 GLU HA H 140 3.882 3.882 4.087 -0.205 18084
593 1 2 . 1 1 59 59 GLU CA C 140 58.783 58.783 58.684 0.099 18084
594 1 2 . 1 1 59 59 GLU CB C 140 29.693 29.693 29.681 0.012 18084
595 1 2 . 1 1 59 59 GLU H H 140 8.699 8.699 9.054 -0.355 18084
596 1 2 . 1 1 60 60 PHE N N 141 123.530 123.530 121.691 1.839 18084
597 1 2 . 1 1 60 60 PHE HA H 141 3.555 3.555 4.160 -0.605 18084
598 1 2 . 1 1 60 60 PHE CA C 141 61.934 61.934 61.798 0.135 18084
599 1 2 . 1 1 60 60 PHE CB C 141 40.046 40.046 39.099 0.947 18084
600 1 2 . 1 1 60 60 PHE H H 141 8.604 8.604 8.384 0.220 18084
601 1 2 . 1 1 61 61 VAL N N 142 119.574 119.574 118.091 1.483 18084
602 1 2 . 1 1 61 61 VAL HA H 142 3.039 3.039 3.475 -0.436 18084
603 1 2 . 1 1 61 61 VAL CA C 142 67.003 67.003 66.550 0.453 18084
604 1 2 . 1 1 61 61 VAL CB C 142 31.519 31.519 31.275 0.244 18084
605 1 2 . 1 1 61 61 VAL H H 142 8.728 8.728 7.861 0.867 18084
606 1 2 . 1 1 62 62 GLN N N 143 118.463 118.463 117.551 0.912 18084
607 1 2 . 1 1 62 62 GLN HA H 143 3.836 3.836 4.003 -0.167 18084
608 1 2 . 1 1 62 62 GLN CA C 143 58.888 58.888 58.197 0.691 18084
609 1 2 . 1 1 62 62 GLN CB C 143 28.024 28.024 28.591 -0.567 18084
610 1 2 . 1 1 62 62 GLN H H 143 7.528 7.528 7.435 0.093 18084
611 1 2 . 1 1 63 63 MET N N 144 117.042 117.042 118.499 -1.457 18084
612 1 2 . 1 1 63 63 MET HA H 144 4.188 4.188 4.172 0.016 18084
613 1 2 . 1 1 63 63 MET CA C 144 56.830 56.830 57.347 -0.517 18084
614 1 2 . 1 1 63 63 MET CB C 144 31.919 31.919 32.462 -0.543 18084
615 1 2 . 1 1 63 63 MET H H 144 7.299 7.299 7.460 -0.161 18084
616 1 2 . 1 1 64 64 MET N N 145 115.614 115.614 116.029 -0.415 18084
617 1 2 . 1 1 64 64 MET HA H 145 4.297 4.297 4.243 0.054 18084
618 1 2 . 1 1 64 64 MET CA C 145 55.443 55.443 57.328 -1.885 18084
619 1 2 . 1 1 64 64 MET CB C 145 33.556 33.556 32.963 0.593 18084
620 1 2 . 1 1 64 64 MET H H 145 7.727 7.727 7.572 0.155 18084
621 1 2 . 1 1 65 65 THR N N 146 110.331 110.331 116.257 -5.926 18084
622 1 2 . 1 1 65 65 THR HA H 146 4.283 4.283 4.367 -0.084 18084
623 1 2 . 1 1 65 65 THR CA C 146 62.323 62.323 61.546 0.777 18084
624 1 2 . 1 1 65 65 THR CB C 146 70.214 70.214 66.863 3.351 18084
625 1 2 . 1 1 65 65 THR H H 146 7.591 7.591 7.787 -0.196 18084
626 1 2 . 1 1 66 66 ALA N N 147 126.381 126.381 128.982 -2.601 18084
627 1 2 . 1 1 66 66 ALA HA H 147 4.319 4.319 4.353 -0.034 18084
628 1 2 . 1 1 66 66 ALA CA C 147 52.896 52.896 51.465 1.431 18084
629 1 2 . 1 1 66 66 ALA CB C 147 19.066 19.066 18.197 0.869 18084
630 1 2 . 1 1 66 66 ALA H H 147 7.564 7.564 8.057 -0.493 18084
631 1 3 . 1 1 2 2 GLU N N 83 119.694 119.694 122.371 -2.677 18084
632 1 3 . 1 1 2 2 GLU HA H 83 4.059 4.059 4.024 0.035 18084
633 1 3 . 1 1 2 2 GLU CA C 83 59.784 59.784 59.089 0.695 18084
634 1 3 . 1 1 2 2 GLU CB C 83 29.191 29.191 28.795 0.396 18084
635 1 3 . 1 1 2 2 GLU H H 83 8.307 8.307 8.747 -0.440 18084
636 1 3 . 1 1 3 3 GLU N N 84 120.715 120.715 119.007 1.708 18084
637 1 3 . 1 1 3 3 GLU HA H 84 4.064 4.064 4.128 -0.064 18084
638 1 3 . 1 1 3 3 GLU CA C 84 59.505 59.505 59.177 0.328 18084
639 1 3 . 1 1 3 3 GLU CB C 84 30.028 30.028 28.953 1.075 18084
640 1 3 . 1 1 3 3 GLU H H 84 7.675 7.675 8.853 -1.178 18084
641 1 3 . 1 1 4 4 ILE N N 85 121.349 121.349 119.137 2.212 18084
642 1 3 . 1 1 4 4 ILE HA H 85 3.866 3.866 3.869 -0.003 18084
643 1 3 . 1 1 4 4 ILE CA C 85 65.483 65.483 64.653 0.830 18084
644 1 3 . 1 1 4 4 ILE CB C 85 37.465 37.465 37.428 0.037 18084
645 1 3 . 1 1 4 4 ILE H H 85 7.940 7.940 7.780 0.160 18084
646 1 3 . 1 1 5 5 ARG N N 86 122.126 122.126 120.443 1.683 18084
647 1 3 . 1 1 5 5 ARG HA H 86 4.223 4.223 4.288 -0.065 18084
648 1 3 . 1 1 5 5 ARG CA C 86 60.172 60.172 59.682 0.490 18084
649 1 3 . 1 1 5 5 ARG CB C 86 29.624 29.624 30.071 -0.447 18084
650 1 3 . 1 1 5 5 ARG H H 86 8.535 8.535 8.056 0.479 18084
651 1 3 . 1 1 6 6 GLU N N 87 118.362 118.362 118.748 -0.386 18084
652 1 3 . 1 1 6 6 GLU HA H 87 4.067 4.067 4.132 -0.065 18084
653 1 3 . 1 1 6 6 GLU CA C 87 59.261 59.261 58.960 0.301 18084
654 1 3 . 1 1 6 6 GLU CB C 87 29.515 29.515 29.392 0.123 18084
655 1 3 . 1 1 6 6 GLU H H 87 8.232 8.232 8.065 0.167 18084
656 1 3 . 1 1 7 7 ALA N N 88 121.569 121.569 122.849 -1.280 18084
657 1 3 . 1 1 7 7 ALA HA H 88 4.205 4.205 3.789 0.416 18084
658 1 3 . 1 1 7 7 ALA CA C 88 55.505 55.505 54.839 0.666 18084
659 1 3 . 1 1 7 7 ALA CB C 88 17.919 17.919 17.853 0.066 18084
660 1 3 . 1 1 7 7 ALA H H 88 8.011 8.011 8.458 -0.447 18084
661 1 3 . 1 1 8 8 PHE N N 89 119.066 119.066 118.852 0.214 18084
662 1 3 . 1 1 8 8 PHE HA H 89 3.295 3.295 3.545 -0.250 18084
663 1 3 . 1 1 8 8 PHE CA C 89 62.428 62.428 60.971 1.456 18084
664 1 3 . 1 1 8 8 PHE CB C 89 39.058 39.058 38.958 0.100 18084
665 1 3 . 1 1 8 8 PHE H H 89 8.682 8.682 7.892 0.790 18084
666 1 3 . 1 1 9 9 ARG N N 90 115.506 115.506 118.528 -3.022 18084
667 1 3 . 1 1 9 9 ARG HA H 90 3.894 3.894 3.900 -0.006 18084
668 1 3 . 1 1 9 9 ARG CA C 90 58.779 58.779 58.246 0.533 18084
669 1 3 . 1 1 9 9 ARG CB C 90 30.526 30.526 29.333 1.193 18084
670 1 3 . 1 1 9 9 ARG H H 90 7.803 7.803 7.386 0.417 18084
671 1 3 . 1 1 10 10 VAL N N 91 118.528 118.528 118.554 -0.026 18084
672 1 3 . 1 1 10 10 VAL HA H 91 3.498 3.498 3.814 -0.316 18084
673 1 3 . 1 1 10 10 VAL CA C 91 65.886 65.886 65.879 0.007 18084
674 1 3 . 1 1 10 10 VAL CB C 91 31.135 31.135 31.661 -0.526 18084
675 1 3 . 1 1 10 10 VAL H H 91 7.457 7.457 7.804 -0.347 18084
676 1 3 . 1 1 11 11 PHE N N 92 114.999 114.999 115.848 -0.849 18084
677 1 3 . 1 1 11 11 PHE HA H 92 4.182 4.182 4.350 -0.168 18084
678 1 3 . 1 1 11 11 PHE CA C 92 60.728 60.728 57.358 3.370 18084
679 1 3 . 1 1 11 11 PHE CB C 92 41.596 41.596 38.716 2.880 18084
680 1 3 . 1 1 11 11 PHE H H 92 7.119 7.119 7.889 -0.770 18084
681 1 3 . 1 1 12 12 ASP N N 93 116.105 116.105 119.708 -3.603 18084
682 1 3 . 1 1 12 12 ASP HA H 93 4.609 4.609 4.907 -0.298 18084
683 1 3 . 1 1 12 12 ASP CA C 93 52.575 52.575 52.867 -0.292 18084
684 1 3 . 1 1 12 12 ASP CB C 93 38.699 38.699 39.095 -0.396 18084
685 1 3 . 1 1 12 12 ASP H H 93 7.966 7.966 7.796 0.170 18084
686 1 3 . 1 1 13 13 LYS N N 94 126.306 126.306 123.522 2.784 18084
687 1 3 . 1 1 13 13 LYS HA H 94 3.956 3.956 4.122 -0.166 18084
688 1 3 . 1 1 13 13 LYS CA C 94 59.124 59.124 58.348 0.776 18084
689 1 3 . 1 1 13 13 LYS CB C 94 32.783 32.783 32.574 0.209 18084
690 1 3 . 1 1 13 13 LYS H H 94 7.912 7.912 8.035 -0.123 18084
691 1 3 . 1 1 14 14 ASP N N 95 114.408 114.408 118.544 -4.136 18084
692 1 3 . 1 1 14 14 ASP HA H 95 4.574 4.574 4.448 0.126 18084
693 1 3 . 1 1 14 14 ASP CA C 95 53.094 53.094 54.596 -1.502 18084
694 1 3 . 1 1 14 14 ASP CB C 95 39.625 39.625 40.958 -1.333 18084
695 1 3 . 1 1 14 14 ASP H H 95 8.210 8.210 8.112 0.098 18084
696 1 3 . 1 1 15 15 GLY N N 96 109.216 109.216 110.054 -0.838 18084
697 1 3 . 1 1 15 15 GLY CA C 96 47.204 47.204 45.339 1.865 18084
698 1 3 . 1 1 15 15 GLY H H 96 7.789 7.789 8.312 -0.523 18084
699 1 3 . 1 1 16 16 ASN N N 97 119.756 119.756 119.312 0.444 18084
700 1 3 . 1 1 16 16 ASN HA H 97 4.670 4.670 4.787 -0.117 18084
701 1 3 . 1 1 16 16 ASN CA C 97 52.817 52.817 52.512 0.305 18084
702 1 3 . 1 1 16 16 ASN CB C 97 38.260 38.260 40.167 -1.907 18084
703 1 3 . 1 1 16 16 ASN H H 97 8.376 8.376 9.151 -0.775 18084
704 1 3 . 1 1 17 17 GLY N N 98 112.788 112.788 109.202 3.586 18084
705 1 3 . 1 1 17 17 GLY CA C 98 45.075 45.075 45.642 -0.567 18084
706 1 3 . 1 1 17 17 GLY H H 98 10.652 10.652 9.031 1.621 18084
707 1 3 . 1 1 18 18 TYR N N 99 116.107 116.107 117.047 -0.940 18084
708 1 3 . 1 1 18 18 TYR HA H 99 5.061 5.061 4.847 0.214 18084
709 1 3 . 1 1 18 18 TYR CA C 99 56.262 56.262 56.705 -0.443 18084
710 1 3 . 1 1 18 18 TYR CB C 99 43.007 43.007 41.544 1.463 18084
711 1 3 . 1 1 18 18 TYR H H 99 7.674 7.674 7.716 -0.042 18084
712 1 3 . 1 1 19 19 ILE N N 100 127.280 127.280 125.990 1.290 18084
713 1 3 . 1 1 19 19 ILE HA H 100 4.720 4.720 4.179 0.541 18084
714 1 3 . 1 1 19 19 ILE CA C 100 61.231 61.231 61.610 -0.379 18084
715 1 3 . 1 1 19 19 ILE CB C 100 39.342 39.342 38.012 1.330 18084
716 1 3 . 1 1 19 19 ILE H H 100 10.172 10.172 9.097 1.075 18084
717 1 3 . 1 1 20 20 SER N N 101 123.721 123.721 124.073 -0.352 18084
718 1 3 . 1 1 20 20 SER HA H 101 4.959 4.959 4.841 0.118 18084
719 1 3 . 1 1 20 20 SER CA C 101 55.629 55.629 56.603 -0.974 18084
720 1 3 . 1 1 20 20 SER CB C 101 66.984 66.984 65.595 1.389 18084
721 1 3 . 1 1 20 20 SER H H 101 8.978 8.978 8.067 0.911 18084
722 1 3 . 1 1 21 21 ALA N N 102 123.086 123.086 123.144 -0.058 18084
723 1 3 . 1 1 21 21 ALA HA H 102 3.920 3.920 4.045 -0.125 18084
724 1 3 . 1 1 21 21 ALA CA C 102 55.987 55.987 55.424 0.563 18084
725 1 3 . 1 1 21 21 ALA CB C 102 18.036 18.036 18.407 -0.371 18084
726 1 3 . 1 1 21 21 ALA H H 102 9.212 9.212 8.943 0.269 18084
727 1 3 . 1 1 22 22 ALA N N 103 118.515 118.515 121.172 -2.657 18084
728 1 3 . 1 1 22 22 ALA HA H 103 4.066 4.066 4.112 -0.046 18084
729 1 3 . 1 1 22 22 ALA CA C 103 55.277 55.277 54.935 0.342 18084
730 1 3 . 1 1 22 22 ALA CB C 103 18.403 18.403 18.194 0.209 18084
731 1 3 . 1 1 22 22 ALA H H 103 8.234 8.234 8.409 -0.175 18084
732 1 3 . 1 1 23 23 GLU N N 104 120.368 120.368 118.838 1.530 18084
733 1 3 . 1 1 23 23 GLU HA H 104 4.052 4.052 3.982 0.070 18084
734 1 3 . 1 1 23 23 GLU CA C 104 59.617 59.617 59.119 0.498 18084
735 1 3 . 1 1 23 23 GLU CB C 104 29.263 29.263 29.600 -0.337 18084
736 1 3 . 1 1 23 23 GLU H H 104 7.863 7.863 7.618 0.245 18084
737 1 3 . 1 1 24 24 LEU N N 105 121.416 121.416 120.205 1.211 18084
738 1 3 . 1 1 24 24 LEU HA H 105 4.187 4.187 3.984 0.203 18084
739 1 3 . 1 1 24 24 LEU CA C 105 58.561 58.561 57.320 1.241 18084
740 1 3 . 1 1 24 24 LEU CB C 105 42.122 42.122 42.024 0.098 18084
741 1 3 . 1 1 24 24 LEU H H 105 8.502 8.502 8.091 0.411 18084
742 1 3 . 1 1 25 25 ARG N N 106 118.344 118.344 119.172 -0.828 18084
743 1 3 . 1 1 25 25 ARG HA H 106 3.710 3.710 3.832 -0.122 18084
744 1 3 . 1 1 25 25 ARG CA C 106 60.063 60.063 60.252 -0.189 18084
745 1 3 . 1 1 25 25 ARG CB C 106 30.399 30.399 29.907 0.492 18084
746 1 3 . 1 1 25 25 ARG H H 106 8.691 8.691 8.265 0.426 18084
747 1 3 . 1 1 26 26 HIS N N 107 119.487 119.487 118.495 0.992 18084
748 1 3 . 1 1 26 26 HIS HA H 107 4.307 4.307 4.385 -0.078 18084
749 1 3 . 1 1 26 26 HIS CA C 107 60.105 60.105 58.943 1.162 18084
750 1 3 . 1 1 26 26 HIS CB C 107 30.761 30.761 30.149 0.612 18084
751 1 3 . 1 1 26 26 HIS H H 107 7.960 7.960 7.846 0.114 18084
752 1 3 . 1 1 27 27 VAL N N 108 119.546 119.546 120.402 -0.856 18084
753 1 3 . 1 1 27 27 VAL HA H 108 3.513 3.513 3.607 -0.094 18084
754 1 3 . 1 1 27 27 VAL CA C 108 66.746 66.746 65.613 1.133 18084
755 1 3 . 1 1 27 27 VAL CB C 108 31.783 31.783 31.602 0.181 18084
756 1 3 . 1 1 27 27 VAL H H 108 7.896 7.896 7.611 0.285 18084
757 1 3 . 1 1 28 28 MET N N 109 115.613 115.613 118.266 -2.653 18084
758 1 3 . 1 1 28 28 MET HA H 109 4.359 4.359 4.213 0.146 18084
759 1 3 . 1 1 28 28 MET CA C 109 57.020 57.020 56.589 0.431 18084
760 1 3 . 1 1 28 28 MET CB C 109 29.108 29.108 30.881 -1.773 18084
761 1 3 . 1 1 28 28 MET H H 109 8.348 8.348 8.437 -0.089 18084
762 1 3 . 1 1 29 29 THR N N 110 116.414 116.414 113.050 3.364 18084
763 1 3 . 1 1 29 29 THR HA H 110 4.115 4.115 3.901 0.214 18084
764 1 3 . 1 1 29 29 THR CA C 110 66.511 66.511 66.256 0.255 18084
765 1 3 . 1 1 29 29 THR CB C 110 68.667 68.667 68.116 0.551 18084
766 1 3 . 1 1 29 29 THR H H 110 8.318 8.318 8.092 0.226 18084
767 1 3 . 1 1 30 30 ASN N N 111 123.002 123.002 118.856 4.146 18084
768 1 3 . 1 1 30 30 ASN HA H 111 4.476 4.476 4.452 0.024 18084
769 1 3 . 1 1 30 30 ASN CA C 111 55.892 55.892 55.023 0.869 18084
770 1 3 . 1 1 30 30 ASN CB C 111 38.279 38.279 38.580 -0.301 18084
771 1 3 . 1 1 30 30 ASN H H 111 7.792 7.792 7.442 0.350 18084
772 1 3 . 1 1 31 31 LEU N N 112 119.010 119.010 119.599 -0.589 18084
773 1 3 . 1 1 31 31 LEU HA H 112 4.331 4.331 4.148 0.183 18084
774 1 3 . 1 1 31 31 LEU CA C 112 55.619 55.619 56.288 -0.669 18084
775 1 3 . 1 1 31 31 LEU CB C 112 42.190 42.190 42.651 -0.461 18084
776 1 3 . 1 1 31 31 LEU H H 112 7.788 7.788 7.647 0.141 18084
777 1 3 . 1 1 32 32 GLY N N 113 106.844 106.844 104.728 2.116 18084
778 1 3 . 1 1 32 32 GLY CA C 113 45.330 45.330 44.868 0.462 18084
779 1 3 . 1 1 32 32 GLY H H 113 7.816 7.816 7.621 0.195 18084
780 1 3 . 1 1 33 33 GLU N N 114 120.325 120.325 123.953 -3.628 18084
781 1 3 . 1 1 33 33 GLU HA H 114 4.454 4.454 4.388 0.066 18084
782 1 3 . 1 1 33 33 GLU CA C 114 55.014 55.014 55.133 -0.118 18084
783 1 3 . 1 1 33 33 GLU CB C 114 30.494 30.494 29.253 1.242 18084
784 1 3 . 1 1 33 33 GLU H H 114 7.888 7.888 8.306 -0.418 18084
785 1 3 . 1 1 34 34 LYS N N 115 125.103 125.103 125.685 -0.582 18084
786 1 3 . 1 1 34 34 LYS HA H 115 4.401 4.401 4.279 0.122 18084
787 1 3 . 1 1 34 34 LYS CA C 115 55.500 55.500 56.124 -0.624 18084
788 1 3 . 1 1 34 34 LYS CB C 115 31.970 31.970 31.940 0.030 18084
789 1 3 . 1 1 34 34 LYS H H 115 8.576 8.576 8.146 0.430 18084
790 1 3 . 1 1 35 35 LEU N N 116 124.861 124.861 126.974 -2.113 18084
791 1 3 . 1 1 35 35 LEU HA H 116 4.759 4.759 4.590 0.169 18084
792 1 3 . 1 1 35 35 LEU CA C 116 54.130 54.130 54.128 0.002 18084
793 1 3 . 1 1 35 35 LEU CB C 116 44.629 44.629 42.973 1.656 18084
794 1 3 . 1 1 35 35 LEU H H 116 8.002 8.002 8.200 -0.199 18084
795 1 3 . 1 1 36 36 THR N N 117 114.594 114.594 112.542 2.052 18084
796 1 3 . 1 1 36 36 THR HA H 117 4.601 4.601 4.390 0.211 18084
797 1 3 . 1 1 36 36 THR CA C 117 60.777 60.777 60.705 0.072 18084
798 1 3 . 1 1 36 36 THR CB C 117 71.180 71.180 70.559 0.621 18084
799 1 3 . 1 1 36 36 THR H H 117 9.238 9.238 9.193 0.045 18084
800 1 3 . 1 1 37 37 ASP N N 118 121.017 121.017 121.000 0.017 18084
801 1 3 . 1 1 37 37 ASP HA H 118 4.216 4.216 4.300 -0.084 18084
802 1 3 . 1 1 37 37 ASP CA C 118 58.138 58.138 58.794 -0.656 18084
803 1 3 . 1 1 37 37 ASP CB C 118 39.658 39.658 40.866 -1.208 18084
804 1 3 . 1 1 37 37 ASP H H 118 8.854 8.854 8.775 0.079 18084
805 1 3 . 1 1 38 38 GLU N N 119 119.262 119.262 118.659 0.603 18084
806 1 3 . 1 1 38 38 GLU HA H 119 4.113 4.113 4.037 0.076 18084
807 1 3 . 1 1 38 38 GLU CA C 119 59.919 59.919 59.433 0.486 18084
808 1 3 . 1 1 38 38 GLU CB C 119 29.132 29.132 29.479 -0.347 18084
809 1 3 . 1 1 38 38 GLU H H 119 8.629 8.629 8.629 0.000 18084
810 1 3 . 1 1 39 39 GLU N N 120 118.567 118.567 119.839 -1.272 18084
811 1 3 . 1 1 39 39 GLU HA H 120 4.074 4.074 4.067 0.007 18084
812 1 3 . 1 1 39 39 GLU CA C 120 59.391 59.391 59.064 0.327 18084
813 1 3 . 1 1 39 39 GLU CB C 120 30.211 30.211 29.795 0.416 18084
814 1 3 . 1 1 39 39 GLU H H 120 8.097 8.097 7.590 0.507 18084
815 1 3 . 1 1 40 40 VAL N N 121 120.686 120.686 119.502 1.184 18084
816 1 3 . 1 1 40 40 VAL HA H 121 3.465 3.465 3.634 -0.169 18084
817 1 3 . 1 1 40 40 VAL CA C 121 66.809 66.809 66.861 -0.052 18084
818 1 3 . 1 1 40 40 VAL CB C 121 31.587 31.587 31.428 0.159 18084
819 1 3 . 1 1 40 40 VAL H H 121 7.969 7.969 8.523 -0.554 18084
820 1 3 . 1 1 41 41 ASP N N 122 119.330 119.330 120.716 -1.386 18084
821 1 3 . 1 1 41 41 ASP HA H 122 4.348 4.348 4.257 0.091 18084
822 1 3 . 1 1 41 41 ASP CA C 122 57.868 57.868 58.088 -0.220 18084
823 1 3 . 1 1 41 41 ASP CB C 122 40.541 40.541 40.914 -0.373 18084
824 1 3 . 1 1 41 41 ASP H H 122 7.972 7.972 7.737 0.235 18084
825 1 3 . 1 1 42 42 GLU N N 123 119.682 119.682 119.680 0.002 18084
826 1 3 . 1 1 42 42 GLU HA H 123 3.975 3.975 4.049 -0.074 18084
827 1 3 . 1 1 42 42 GLU CA C 123 59.521 59.521 58.762 0.759 18084
828 1 3 . 1 1 42 42 GLU CB C 123 29.566 29.566 29.752 -0.186 18084
829 1 3 . 1 1 42 42 GLU H H 123 8.016 8.016 7.609 0.407 18084
830 1 3 . 1 1 43 43 MET N N 124 119.466 119.466 118.847 0.619 18084
831 1 3 . 1 1 43 43 MET HA H 124 4.123 4.123 4.192 -0.069 18084
832 1 3 . 1 1 43 43 MET CA C 124 60.111 60.111 59.126 0.985 18084
833 1 3 . 1 1 43 43 MET CB C 124 33.358 33.358 32.764 0.594 18084
834 1 3 . 1 1 43 43 MET H H 124 7.825 7.825 8.026 -0.201 18084
835 1 3 . 1 1 44 44 ILE N N 125 119.195 119.195 114.337 4.858 18084
836 1 3 . 1 1 44 44 ILE HA H 125 3.821 3.821 4.149 -0.328 18084
837 1 3 . 1 1 44 44 ILE CA C 125 63.732 63.732 62.597 1.135 18084
838 1 3 . 1 1 44 44 ILE CB C 125 36.277 36.277 37.896 -1.619 18084
839 1 3 . 1 1 44 44 ILE H H 125 7.952 7.952 7.574 0.378 18084
840 1 3 . 1 1 45 45 ARG N N 126 118.673 118.673 120.932 -2.259 18084
841 1 3 . 1 1 45 45 ARG HA H 126 4.063 4.063 4.140 -0.077 18084
842 1 3 . 1 1 45 45 ARG CA C 126 59.825 59.825 59.407 0.418 18084
843 1 3 . 1 1 45 45 ARG CB C 126 30.427 30.427 30.339 0.088 18084
844 1 3 . 1 1 45 45 ARG H H 126 8.492 8.492 8.117 0.375 18084
845 1 3 . 1 1 46 46 GLU N N 127 116.432 116.432 119.018 -2.586 18084
846 1 3 . 1 1 46 46 GLU HA H 127 4.036 4.036 4.163 -0.127 18084
847 1 3 . 1 1 46 46 GLU CA C 127 58.676 58.676 58.279 0.397 18084
848 1 3 . 1 1 46 46 GLU CB C 127 29.842 29.842 29.833 0.009 18084
849 1 3 . 1 1 46 46 GLU H H 127 7.944 7.944 8.234 -0.290 18084
850 1 3 . 1 1 47 47 ALA N N 128 118.021 118.021 117.764 0.257 18084
851 1 3 . 1 1 47 47 ALA HA H 128 4.466 4.466 4.423 0.043 18084
852 1 3 . 1 1 47 47 ALA CA C 128 51.798 51.798 51.358 0.440 18084
853 1 3 . 1 1 47 47 ALA CB C 128 22.115 22.115 19.520 2.595 18084
854 1 3 . 1 1 47 47 ALA H H 128 7.195 7.195 7.102 0.093 18084
855 1 3 . 1 1 48 48 ASP N N 129 117.984 117.984 119.159 -1.175 18084
856 1 3 . 1 1 48 48 ASP HA H 129 4.494 4.494 4.970 -0.476 18084
857 1 3 . 1 1 48 48 ASP CA C 129 54.472 54.472 53.815 0.657 18084
858 1 3 . 1 1 48 48 ASP CB C 129 40.753 40.753 41.583 -0.830 18084
859 1 3 . 1 1 48 48 ASP H H 129 8.024 8.024 7.480 0.544 18084
860 1 3 . 1 1 49 49 ILE N N 130 127.861 127.861 125.541 2.320 18084
861 1 3 . 1 1 49 49 ILE HA H 130 3.918 3.918 4.142 -0.224 18084
862 1 3 . 1 1 49 49 ILE CA C 130 63.240 63.240 61.914 1.326 18084
863 1 3 . 1 1 49 49 ILE CB C 130 38.809 38.809 38.859 -0.051 18084
864 1 3 . 1 1 49 49 ILE H H 130 8.302 8.302 9.581 -1.279 18084
865 1 3 . 1 1 50 50 ASP N N 131 116.838 116.838 120.339 -3.501 18084
866 1 3 . 1 1 50 50 ASP HA H 131 4.541 4.541 4.489 0.052 18084
867 1 3 . 1 1 50 50 ASP CA C 131 54.045 54.045 54.931 -0.886 18084
868 1 3 . 1 1 50 50 ASP CB C 131 39.947 39.947 41.126 -1.179 18084
869 1 3 . 1 1 50 50 ASP H H 131 8.350 8.350 8.817 -0.467 18084
870 1 3 . 1 1 51 51 GLY N N 132 108.737 108.737 107.920 0.817 18084
871 1 3 . 1 1 51 51 GLY CA C 132 47.528 47.528 45.260 2.268 18084
872 1 3 . 1 1 51 51 GLY H H 132 7.634 7.634 8.387 -0.753 18084
873 1 3 . 1 1 52 52 ASP N N 133 120.912 120.912 120.902 0.010 18084
874 1 3 . 1 1 52 52 ASP HA H 133 4.486 4.486 4.584 -0.098 18084
875 1 3 . 1 1 52 52 ASP CA C 133 53.799 53.799 53.638 0.161 18084
876 1 3 . 1 1 52 52 ASP CB C 133 40.223 40.223 41.278 -1.055 18084
877 1 3 . 1 1 52 52 ASP H H 133 8.390 8.390 8.576 -0.186 18084
878 1 3 . 1 1 53 53 GLY N N 134 112.792 112.792 109.824 2.968 18084
879 1 3 . 1 1 53 53 GLY CA C 134 45.957 45.957 45.476 0.481 18084
880 1 3 . 1 1 53 53 GLY H H 134 10.276 10.276 8.729 1.547 18084
881 1 3 . 1 1 54 54 GLN N N 135 115.190 115.190 117.951 -2.761 18084
882 1 3 . 1 1 54 54 GLN HA H 135 4.960 4.960 4.689 0.271 18084
883 1 3 . 1 1 54 54 GLN CA C 135 53.311 53.311 54.141 -0.829 18084
884 1 3 . 1 1 54 54 GLN CB C 135 32.662 32.662 32.973 -0.311 18084
885 1 3 . 1 1 54 54 GLN H H 135 7.993 7.993 8.063 -0.070 18084
886 1 3 . 1 1 55 55 VAL N N 136 125.623 125.623 122.855 2.768 18084
887 1 3 . 1 1 55 55 VAL HA H 136 5.230 5.230 4.533 0.697 18084
888 1 3 . 1 1 55 55 VAL CA C 136 61.782 61.782 61.042 0.740 18084
889 1 3 . 1 1 55 55 VAL CB C 136 33.899 33.899 33.091 0.808 18084
890 1 3 . 1 1 55 55 VAL H H 136 9.081 9.081 8.902 0.179 18084
891 1 3 . 1 1 56 56 ASN N N 137 129.390 129.390 126.565 2.825 18084
892 1 3 . 1 1 56 56 ASN HA H 137 5.331 5.331 5.321 0.010 18084
893 1 3 . 1 1 56 56 ASN CA C 137 51.131 51.131 51.381 -0.250 18084
894 1 3 . 1 1 56 56 ASN CB C 137 38.423 38.423 39.946 -1.523 18084
895 1 3 . 1 1 56 56 ASN H H 137 9.602 9.602 8.234 1.368 18084
896 1 3 . 1 1 57 57 TYR N N 138 118.471 118.471 120.912 -2.441 18084
897 1 3 . 1 1 57 57 TYR HA H 138 3.400 3.400 3.300 0.100 18084
898 1 3 . 1 1 57 57 TYR CA C 138 62.542 62.542 63.209 -0.667 18084
899 1 3 . 1 1 57 57 TYR CB C 138 37.957 37.957 38.219 -0.262 18084
900 1 3 . 1 1 57 57 TYR H H 138 8.361 8.361 8.890 -0.529 18084
901 1 3 . 1 1 58 58 GLU N N 139 118.571 118.571 117.324 1.247 18084
902 1 3 . 1 1 58 58 GLU HA H 139 3.634 3.634 3.841 -0.207 18084
903 1 3 . 1 1 58 58 GLU CA C 139 60.285 60.285 60.214 0.071 18084
904 1 3 . 1 1 58 58 GLU CB C 139 28.798 28.798 28.892 -0.094 18084
905 1 3 . 1 1 58 58 GLU H H 139 8.061 8.061 8.692 -0.631 18084
906 1 3 . 1 1 59 59 GLU N N 140 119.901 119.901 119.724 0.177 18084
907 1 3 . 1 1 59 59 GLU HA H 140 3.882 3.882 4.100 -0.218 18084
908 1 3 . 1 1 59 59 GLU CA C 140 58.783 58.783 58.549 0.234 18084
909 1 3 . 1 1 59 59 GLU CB C 140 29.693 29.693 29.724 -0.031 18084
910 1 3 . 1 1 59 59 GLU H H 140 8.699 8.699 7.908 0.791 18084
911 1 3 . 1 1 60 60 PHE N N 141 123.530 123.530 122.041 1.489 18084
912 1 3 . 1 1 60 60 PHE HA H 141 3.555 3.555 4.153 -0.598 18084
913 1 3 . 1 1 60 60 PHE CA C 141 61.934 61.934 61.538 0.396 18084
914 1 3 . 1 1 60 60 PHE CB C 141 40.046 40.046 39.143 0.903 18084
915 1 3 . 1 1 60 60 PHE H H 141 8.604 8.604 8.507 0.097 18084
916 1 3 . 1 1 61 61 VAL N N 142 119.574 119.574 118.667 0.907 18084
917 1 3 . 1 1 61 61 VAL HA H 142 3.039 3.039 3.286 -0.247 18084
918 1 3 . 1 1 61 61 VAL CA C 142 67.003 67.003 66.963 0.040 18084
919 1 3 . 1 1 61 61 VAL CB C 142 31.519 31.519 31.239 0.280 18084
920 1 3 . 1 1 61 61 VAL H H 142 8.728 8.728 8.081 0.647 18084
921 1 3 . 1 1 62 62 GLN N N 143 118.463 118.463 118.490 -0.027 18084
922 1 3 . 1 1 62 62 GLN HA H 143 3.836 3.836 3.931 -0.095 18084
923 1 3 . 1 1 62 62 GLN CA C 143 58.888 58.888 58.347 0.541 18084
924 1 3 . 1 1 62 62 GLN CB C 143 28.024 28.024 28.656 -0.632 18084
925 1 3 . 1 1 62 62 GLN H H 143 7.528 7.528 7.442 0.086 18084
926 1 3 . 1 1 63 63 MET N N 144 117.042 117.042 118.124 -1.082 18084
927 1 3 . 1 1 63 63 MET HA H 144 4.188 4.188 4.118 0.070 18084
928 1 3 . 1 1 63 63 MET CA C 144 56.830 56.830 57.908 -1.078 18084
929 1 3 . 1 1 63 63 MET CB C 144 31.919 31.919 32.239 -0.320 18084
930 1 3 . 1 1 63 63 MET H H 144 7.299 7.299 7.415 -0.116 18084
931 1 3 . 1 1 64 64 MET N N 145 115.614 115.614 116.391 -0.777 18084
932 1 3 . 1 1 64 64 MET HA H 145 4.297 4.297 4.285 0.012 18084
933 1 3 . 1 1 64 64 MET CA C 145 55.443 55.443 57.092 -1.649 18084
934 1 3 . 1 1 64 64 MET CB C 145 33.556 33.556 32.947 0.609 18084
935 1 3 . 1 1 64 64 MET H H 145 7.727 7.727 7.470 0.257 18084
936 1 3 . 1 1 65 65 THR N N 146 110.331 110.331 116.358 -6.027 18084
937 1 3 . 1 1 65 65 THR HA H 146 4.283 4.283 4.353 -0.070 18084
938 1 3 . 1 1 65 65 THR CA C 146 62.323 62.323 61.283 1.040 18084
939 1 3 . 1 1 65 65 THR CB C 146 70.214 70.214 66.888 3.326 18084
940 1 3 . 1 1 65 65 THR H H 146 7.591 7.591 7.899 -0.308 18084
941 1 3 . 1 1 66 66 ALA N N 147 126.381 126.381 125.139 1.242 18084
942 1 3 . 1 1 66 66 ALA HA H 147 4.319 4.319 4.331 -0.012 18084
943 1 3 . 1 1 66 66 ALA CA C 147 52.896 52.896 52.363 0.533 18084
944 1 3 . 1 1 66 66 ALA CB C 147 19.066 19.066 19.797 -0.731 18084
945 1 3 . 1 1 66 66 ALA H H 147 7.564 7.564 7.361 0.203 18084
946 1 4 . 1 1 2 2 GLU N N 83 119.694 119.694 121.572 -1.878 18084
947 1 4 . 1 1 2 2 GLU HA H 83 4.059 4.059 4.042 0.017 18084
948 1 4 . 1 1 2 2 GLU CA C 83 59.784 59.784 59.880 -0.097 18084
949 1 4 . 1 1 2 2 GLU CB C 83 29.191 29.191 28.988 0.203 18084
950 1 4 . 1 1 2 2 GLU H H 83 8.307 8.307 8.804 -0.497 18084
951 1 4 . 1 1 3 3 GLU N N 84 120.715 120.715 119.077 1.638 18084
952 1 4 . 1 1 3 3 GLU HA H 84 4.064 4.064 4.080 -0.016 18084
953 1 4 . 1 1 3 3 GLU CA C 84 59.505 59.505 59.781 -0.276 18084
954 1 4 . 1 1 3 3 GLU CB C 84 30.028 30.028 28.971 1.057 18084
955 1 4 . 1 1 3 3 GLU H H 84 7.675 7.675 8.741 -1.066 18084
956 1 4 . 1 1 4 4 ILE N N 85 121.349 121.349 118.439 2.910 18084
957 1 4 . 1 1 4 4 ILE HA H 85 3.866 3.866 3.826 0.040 18084
958 1 4 . 1 1 4 4 ILE CA C 85 65.483 65.483 65.133 0.350 18084
959 1 4 . 1 1 4 4 ILE CB C 85 37.465 37.465 37.560 -0.095 18084
960 1 4 . 1 1 4 4 ILE H H 85 7.940 7.940 8.070 -0.130 18084
961 1 4 . 1 1 5 5 ARG N N 86 122.126 122.126 120.477 1.649 18084
962 1 4 . 1 1 5 5 ARG HA H 86 4.223 4.223 4.244 -0.021 18084
963 1 4 . 1 1 5 5 ARG CA C 86 60.172 60.172 59.704 0.468 18084
964 1 4 . 1 1 5 5 ARG CB C 86 29.624 29.624 30.032 -0.408 18084
965 1 4 . 1 1 5 5 ARG H H 86 8.535 8.535 8.532 0.003 18084
966 1 4 . 1 1 6 6 GLU N N 87 118.362 118.362 118.895 -0.533 18084
967 1 4 . 1 1 6 6 GLU HA H 87 4.067 4.067 4.084 -0.017 18084
968 1 4 . 1 1 6 6 GLU CA C 87 59.261 59.261 59.028 0.234 18084
969 1 4 . 1 1 6 6 GLU CB C 87 29.515 29.515 29.272 0.243 18084
970 1 4 . 1 1 6 6 GLU H H 87 8.232 8.232 8.454 -0.222 18084
971 1 4 . 1 1 7 7 ALA N N 88 121.569 121.569 122.603 -1.034 18084
972 1 4 . 1 1 7 7 ALA HA H 88 4.205 4.205 3.659 0.546 18084
973 1 4 . 1 1 7 7 ALA CA C 88 55.505 55.505 54.806 0.699 18084
974 1 4 . 1 1 7 7 ALA CB C 88 17.919 17.919 18.010 -0.091 18084
975 1 4 . 1 1 7 7 ALA H H 88 8.011 8.011 8.418 -0.407 18084
976 1 4 . 1 1 8 8 PHE N N 89 119.066 119.066 119.590 -0.524 18084
977 1 4 . 1 1 8 8 PHE HA H 89 3.295 3.295 3.710 -0.415 18084
978 1 4 . 1 1 8 8 PHE CA C 89 62.428 62.428 61.213 1.215 18084
979 1 4 . 1 1 8 8 PHE CB C 89 39.058 39.058 39.056 0.002 18084
980 1 4 . 1 1 8 8 PHE H H 89 8.682 8.682 8.103 0.579 18084
981 1 4 . 1 1 9 9 ARG N N 90 115.506 115.506 118.881 -3.375 18084
982 1 4 . 1 1 9 9 ARG HA H 90 3.894 3.894 3.954 -0.060 18084
983 1 4 . 1 1 9 9 ARG CA C 90 58.779 58.779 58.517 0.262 18084
984 1 4 . 1 1 9 9 ARG CB C 90 30.526 30.526 29.496 1.030 18084
985 1 4 . 1 1 9 9 ARG H H 90 7.803 7.803 7.736 0.067 18084
986 1 4 . 1 1 10 10 VAL N N 91 118.528 118.528 118.449 0.079 18084
987 1 4 . 1 1 10 10 VAL HA H 91 3.498 3.498 3.790 -0.292 18084
988 1 4 . 1 1 10 10 VAL CA C 91 65.886 65.886 65.815 0.071 18084
989 1 4 . 1 1 10 10 VAL CB C 91 31.135 31.135 31.634 -0.499 18084
990 1 4 . 1 1 10 10 VAL H H 91 7.457 7.457 7.595 -0.138 18084
991 1 4 . 1 1 11 11 PHE N N 92 114.999 114.999 118.097 -3.098 18084
992 1 4 . 1 1 11 11 PHE HA H 92 4.182 4.182 4.317 -0.135 18084
993 1 4 . 1 1 11 11 PHE CA C 92 60.728 60.728 58.179 2.549 18084
994 1 4 . 1 1 11 11 PHE CB C 92 41.596 41.596 38.504 3.092 18084
995 1 4 . 1 1 11 11 PHE H H 92 7.119 7.119 7.943 -0.824 18084
996 1 4 . 1 1 12 12 ASP N N 93 116.105 116.105 119.904 -3.799 18084
997 1 4 . 1 1 12 12 ASP HA H 93 4.609 4.609 5.007 -0.398 18084
998 1 4 . 1 1 12 12 ASP CA C 93 52.575 52.575 52.941 -0.366 18084
999 1 4 . 1 1 12 12 ASP CB C 93 38.699 38.699 39.466 -0.767 18084
1000 1 4 . 1 1 12 12 ASP H H 93 7.966 7.966 8.052 -0.086 18084
1001 1 4 . 1 1 13 13 LYS N N 94 126.306 126.306 126.026 0.280 18084
1002 1 4 . 1 1 13 13 LYS HA H 94 3.956 3.956 4.244 -0.288 18084
1003 1 4 . 1 1 13 13 LYS CA C 94 59.124 59.124 58.074 1.050 18084
1004 1 4 . 1 1 13 13 LYS CB C 94 32.783 32.783 32.764 0.019 18084
1005 1 4 . 1 1 13 13 LYS H H 94 7.912 7.912 8.053 -0.141 18084
1006 1 4 . 1 1 14 14 ASP N N 95 114.408 114.408 118.026 -3.618 18084
1007 1 4 . 1 1 14 14 ASP HA H 95 4.574 4.574 4.535 0.039 18084
1008 1 4 . 1 1 14 14 ASP CA C 95 53.094 53.094 54.069 -0.975 18084
1009 1 4 . 1 1 14 14 ASP CB C 95 39.625 39.625 40.605 -0.980 18084
1010 1 4 . 1 1 14 14 ASP H H 95 8.210 8.210 7.774 0.436 18084
1011 1 4 . 1 1 15 15 GLY N N 96 109.216 109.216 109.237 -0.021 18084
1012 1 4 . 1 1 15 15 GLY CA C 96 47.204 47.204 45.812 1.392 18084
1013 1 4 . 1 1 15 15 GLY H H 96 7.789 7.789 8.481 -0.692 18084
1014 1 4 . 1 1 16 16 ASN N N 97 119.756 119.756 119.053 0.703 18084
1015 1 4 . 1 1 16 16 ASN HA H 97 4.670 4.670 4.761 -0.091 18084
1016 1 4 . 1 1 16 16 ASN CA C 97 52.817 52.817 52.221 0.596 18084
1017 1 4 . 1 1 16 16 ASN CB C 97 38.260 38.260 39.526 -1.266 18084
1018 1 4 . 1 1 16 16 ASN H H 97 8.376 8.376 8.234 0.142 18084
1019 1 4 . 1 1 17 17 GLY N N 98 112.788 112.788 108.508 4.280 18084
1020 1 4 . 1 1 17 17 GLY CA C 98 45.075 45.075 45.779 -0.704 18084
1021 1 4 . 1 1 17 17 GLY H H 98 10.652 10.652 9.075 1.577 18084
1022 1 4 . 1 1 18 18 TYR N N 99 116.107 116.107 117.042 -0.935 18084
1023 1 4 . 1 1 18 18 TYR HA H 99 5.061 5.061 5.046 0.015 18084
1024 1 4 . 1 1 18 18 TYR CA C 99 56.262 56.262 56.700 -0.438 18084
1025 1 4 . 1 1 18 18 TYR CB C 99 43.007 43.007 41.844 1.163 18084
1026 1 4 . 1 1 18 18 TYR H H 99 7.674 7.674 8.107 -0.433 18084
1027 1 4 . 1 1 19 19 ILE N N 100 127.280 127.280 124.301 2.979 18084
1028 1 4 . 1 1 19 19 ILE HA H 100 4.720 4.720 4.219 0.501 18084
1029 1 4 . 1 1 19 19 ILE CA C 100 61.231 61.231 60.926 0.305 18084
1030 1 4 . 1 1 19 19 ILE CB C 100 39.342 39.342 38.071 1.271 18084
1031 1 4 . 1 1 19 19 ILE H H 100 10.172 10.172 9.254 0.918 18084
1032 1 4 . 1 1 20 20 SER N N 101 123.721 123.721 123.395 0.326 18084
1033 1 4 . 1 1 20 20 SER HA H 101 4.959 4.959 4.576 0.383 18084
1034 1 4 . 1 1 20 20 SER CA C 101 55.629 55.629 56.285 -0.656 18084
1035 1 4 . 1 1 20 20 SER CB C 101 66.984 66.984 65.032 1.952 18084
1036 1 4 . 1 1 20 20 SER H H 101 8.978 8.978 8.333 0.645 18084
1037 1 4 . 1 1 21 21 ALA N N 102 123.086 123.086 126.722 -3.636 18084
1038 1 4 . 1 1 21 21 ALA HA H 102 3.920 3.920 4.018 -0.098 18084
1039 1 4 . 1 1 21 21 ALA CA C 102 55.987 55.987 55.261 0.726 18084
1040 1 4 . 1 1 21 21 ALA CB C 102 18.036 18.036 18.681 -0.645 18084
1041 1 4 . 1 1 21 21 ALA H H 102 9.212 9.212 9.032 0.180 18084
1042 1 4 . 1 1 22 22 ALA N N 103 118.515 118.515 120.432 -1.917 18084
1043 1 4 . 1 1 22 22 ALA HA H 103 4.066 4.066 4.112 -0.046 18084
1044 1 4 . 1 1 22 22 ALA CA C 103 55.277 55.277 54.719 0.558 18084
1045 1 4 . 1 1 22 22 ALA CB C 103 18.403 18.403 18.365 0.038 18084
1046 1 4 . 1 1 22 22 ALA H H 103 8.234 8.234 7.913 0.321 18084
1047 1 4 . 1 1 23 23 GLU N N 104 120.368 120.368 118.296 2.072 18084
1048 1 4 . 1 1 23 23 GLU HA H 104 4.052 4.052 4.073 -0.021 18084
1049 1 4 . 1 1 23 23 GLU CA C 104 59.617 59.617 59.058 0.559 18084
1050 1 4 . 1 1 23 23 GLU CB C 104 29.263 29.263 29.384 -0.121 18084
1051 1 4 . 1 1 23 23 GLU H H 104 7.863 7.863 8.289 -0.426 18084
1052 1 4 . 1 1 24 24 LEU N N 105 121.416 121.416 121.066 0.350 18084
1053 1 4 . 1 1 24 24 LEU HA H 105 4.187 4.187 4.068 0.119 18084
1054 1 4 . 1 1 24 24 LEU CA C 105 58.561 58.561 56.984 1.577 18084
1055 1 4 . 1 1 24 24 LEU CB C 105 42.122 42.122 42.085 0.037 18084
1056 1 4 . 1 1 24 24 LEU H H 105 8.502 8.502 8.470 0.032 18084
1057 1 4 . 1 1 25 25 ARG N N 106 118.344 118.344 118.117 0.227 18084
1058 1 4 . 1 1 25 25 ARG HA H 106 3.710 3.710 4.032 -0.322 18084
1059 1 4 . 1 1 25 25 ARG CA C 106 60.063 60.063 58.923 1.140 18084
1060 1 4 . 1 1 25 25 ARG CB C 106 30.399 30.399 30.009 0.390 18084
1061 1 4 . 1 1 25 25 ARG H H 106 8.691 8.691 7.896 0.795 18084
1062 1 4 . 1 1 26 26 HIS N N 107 119.487 119.487 117.687 1.800 18084
1063 1 4 . 1 1 26 26 HIS HA H 107 4.307 4.307 4.814 -0.507 18084
1064 1 4 . 1 1 26 26 HIS CA C 107 60.105 60.105 55.992 4.113 18084
1065 1 4 . 1 1 26 26 HIS CB C 107 30.761 30.761 30.250 0.511 18084
1066 1 4 . 1 1 26 26 HIS H H 107 7.960 7.960 7.579 0.381 18084
1067 1 4 . 1 1 27 27 VAL N N 108 119.546 119.546 120.509 -0.963 18084
1068 1 4 . 1 1 27 27 VAL HA H 108 3.513 3.513 3.861 -0.348 18084
1069 1 4 . 1 1 27 27 VAL CA C 108 66.746 66.746 64.480 2.266 18084
1070 1 4 . 1 1 27 27 VAL CB C 108 31.783 31.783 32.808 -1.025 18084
1071 1 4 . 1 1 27 27 VAL H H 108 7.896 7.896 7.865 0.031 18084
1072 1 4 . 1 1 28 28 MET N N 109 115.613 115.613 118.656 -3.043 18084
1073 1 4 . 1 1 28 28 MET HA H 109 4.359 4.359 4.189 0.170 18084
1074 1 4 . 1 1 28 28 MET CA C 109 57.020 57.020 57.094 -0.075 18084
1075 1 4 . 1 1 28 28 MET CB C 109 29.108 29.108 31.796 -2.688 18084
1076 1 4 . 1 1 28 28 MET H H 109 8.348 8.348 8.341 0.007 18084
1077 1 4 . 1 1 29 29 THR N N 110 116.414 116.414 111.018 5.396 18084
1078 1 4 . 1 1 29 29 THR HA H 110 4.115 4.115 3.970 0.145 18084
1079 1 4 . 1 1 29 29 THR CA C 110 66.511 66.511 65.668 0.843 18084
1080 1 4 . 1 1 29 29 THR CB C 110 68.667 68.667 68.262 0.405 18084
1081 1 4 . 1 1 29 29 THR H H 110 8.318 8.318 8.084 0.234 18084
1082 1 4 . 1 1 30 30 ASN N N 111 123.002 123.002 119.413 3.589 18084
1083 1 4 . 1 1 30 30 ASN HA H 111 4.476 4.476 4.553 -0.078 18084
1084 1 4 . 1 1 30 30 ASN CA C 111 55.892 55.892 54.855 1.037 18084
1085 1 4 . 1 1 30 30 ASN CB C 111 38.279 38.279 38.509 -0.230 18084
1086 1 4 . 1 1 30 30 ASN H H 111 7.792 7.792 7.561 0.231 18084
1087 1 4 . 1 1 31 31 LEU N N 112 119.010 119.010 119.414 -0.404 18084
1088 1 4 . 1 1 31 31 LEU HA H 112 4.331 4.331 4.179 0.152 18084
1089 1 4 . 1 1 31 31 LEU CA C 112 55.619 55.619 55.796 -0.177 18084
1090 1 4 . 1 1 31 31 LEU CB C 112 42.190 42.190 42.291 -0.101 18084
1091 1 4 . 1 1 31 31 LEU H H 112 7.788 7.788 7.501 0.287 18084
1092 1 4 . 1 1 32 32 GLY N N 113 106.844 106.844 106.325 0.519 18084
1093 1 4 . 1 1 32 32 GLY CA C 113 45.330 45.330 45.238 0.092 18084
1094 1 4 . 1 1 32 32 GLY H H 113 7.816 7.816 7.408 0.408 18084
1095 1 4 . 1 1 33 33 GLU N N 114 120.325 120.325 125.663 -5.338 18084
1096 1 4 . 1 1 33 33 GLU HA H 114 4.454 4.454 4.169 0.285 18084
1097 1 4 . 1 1 33 33 GLU CA C 114 55.014 55.014 57.008 -1.994 18084
1098 1 4 . 1 1 33 33 GLU CB C 114 30.494 30.494 29.400 1.094 18084
1099 1 4 . 1 1 33 33 GLU H H 114 7.888 7.888 8.281 -0.393 18084
1100 1 4 . 1 1 34 34 LYS N N 115 125.103 125.103 126.561 -1.458 18084
1101 1 4 . 1 1 34 34 LYS HA H 115 4.401 4.401 4.415 -0.014 18084
1102 1 4 . 1 1 34 34 LYS CA C 115 55.500 55.500 55.708 -0.208 18084
1103 1 4 . 1 1 34 34 LYS CB C 115 31.970 31.970 32.015 -0.045 18084
1104 1 4 . 1 1 34 34 LYS H H 115 8.576 8.576 8.425 0.151 18084
1105 1 4 . 1 1 35 35 LEU N N 116 124.861 124.861 124.764 0.097 18084
1106 1 4 . 1 1 35 35 LEU HA H 116 4.759 4.759 4.313 0.446 18084
1107 1 4 . 1 1 35 35 LEU CA C 116 54.130 54.130 54.474 -0.344 18084
1108 1 4 . 1 1 35 35 LEU CB C 116 44.629 44.629 42.487 2.142 18084
1109 1 4 . 1 1 35 35 LEU H H 116 8.002 8.002 8.159 -0.157 18084
1110 1 4 . 1 1 36 36 THR N N 117 114.594 114.594 111.790 2.804 18084
1111 1 4 . 1 1 36 36 THR HA H 117 4.601 4.601 4.347 0.254 18084
1112 1 4 . 1 1 36 36 THR CA C 117 60.777 60.777 60.961 -0.184 18084
1113 1 4 . 1 1 36 36 THR CB C 117 71.180 71.180 70.052 1.129 18084
1114 1 4 . 1 1 36 36 THR H H 117 9.238 9.238 9.090 0.148 18084
1115 1 4 . 1 1 37 37 ASP N N 118 121.017 121.017 120.960 0.057 18084
1116 1 4 . 1 1 37 37 ASP HA H 118 4.216 4.216 4.290 -0.074 18084
1117 1 4 . 1 1 37 37 ASP CA C 118 58.138 58.138 58.403 -0.265 18084
1118 1 4 . 1 1 37 37 ASP CB C 118 39.658 39.658 40.763 -1.105 18084
1119 1 4 . 1 1 37 37 ASP H H 118 8.854 8.854 8.779 0.075 18084
1120 1 4 . 1 1 38 38 GLU N N 119 119.262 119.262 118.060 1.202 18084
1121 1 4 . 1 1 38 38 GLU HA H 119 4.113 4.113 4.100 0.013 18084
1122 1 4 . 1 1 38 38 GLU CA C 119 59.919 59.919 59.476 0.443 18084
1123 1 4 . 1 1 38 38 GLU CB C 119 29.132 29.132 29.250 -0.118 18084
1124 1 4 . 1 1 38 38 GLU H H 119 8.629 8.629 8.866 -0.237 18084
1125 1 4 . 1 1 39 39 GLU N N 120 118.567 118.567 120.127 -1.560 18084
1126 1 4 . 1 1 39 39 GLU HA H 120 4.074 4.074 4.085 -0.011 18084
1127 1 4 . 1 1 39 39 GLU CA C 120 59.391 59.391 59.237 0.154 18084
1128 1 4 . 1 1 39 39 GLU CB C 120 30.211 30.211 29.665 0.546 18084
1129 1 4 . 1 1 39 39 GLU H H 120 8.097 8.097 7.581 0.516 18084
1130 1 4 . 1 1 40 40 VAL N N 121 120.686 120.686 120.022 0.664 18084
1131 1 4 . 1 1 40 40 VAL HA H 121 3.465 3.465 3.642 -0.177 18084
1132 1 4 . 1 1 40 40 VAL CA C 121 66.809 66.809 67.023 -0.214 18084
1133 1 4 . 1 1 40 40 VAL CB C 121 31.587 31.587 31.440 0.147 18084
1134 1 4 . 1 1 40 40 VAL H H 121 7.969 7.969 8.285 -0.316 18084
1135 1 4 . 1 1 41 41 ASP N N 122 119.330 119.330 120.174 -0.844 18084
1136 1 4 . 1 1 41 41 ASP HA H 122 4.348 4.348 4.276 0.072 18084
1137 1 4 . 1 1 41 41 ASP CA C 122 57.868 57.868 57.858 0.010 18084
1138 1 4 . 1 1 41 41 ASP CB C 122 40.541 40.541 40.907 -0.366 18084
1139 1 4 . 1 1 41 41 ASP H H 122 7.972 7.972 8.249 -0.277 18084
1140 1 4 . 1 1 42 42 GLU N N 123 119.682 119.682 119.895 -0.213 18084
1141 1 4 . 1 1 42 42 GLU HA H 123 3.975 3.975 4.001 -0.026 18084
1142 1 4 . 1 1 42 42 GLU CA C 123 59.521 59.521 59.363 0.158 18084
1143 1 4 . 1 1 42 42 GLU CB C 123 29.566 29.566 29.521 0.045 18084
1144 1 4 . 1 1 42 42 GLU H H 123 8.016 8.016 8.300 -0.284 18084
1145 1 4 . 1 1 43 43 MET N N 124 119.466 119.466 118.631 0.835 18084
1146 1 4 . 1 1 43 43 MET HA H 124 4.123 4.123 4.114 0.009 18084
1147 1 4 . 1 1 43 43 MET CA C 124 60.111 60.111 59.632 0.479 18084
1148 1 4 . 1 1 43 43 MET CB C 124 33.358 33.358 32.681 0.677 18084
1149 1 4 . 1 1 43 43 MET H H 124 7.825 7.825 7.821 0.004 18084
1150 1 4 . 1 1 44 44 ILE N N 125 119.195 119.195 117.444 1.751 18084
1151 1 4 . 1 1 44 44 ILE HA H 125 3.821 3.821 3.798 0.023 18084
1152 1 4 . 1 1 44 44 ILE CA C 125 63.732 63.732 63.828 -0.096 18084
1153 1 4 . 1 1 44 44 ILE CB C 125 36.277 36.277 37.308 -1.031 18084
1154 1 4 . 1 1 44 44 ILE H H 125 7.952 7.952 7.555 0.397 18084
1155 1 4 . 1 1 45 45 ARG N N 126 118.673 118.673 119.354 -0.681 18084
1156 1 4 . 1 1 45 45 ARG HA H 126 4.063 4.063 4.049 0.014 18084
1157 1 4 . 1 1 45 45 ARG CA C 126 59.825 59.825 59.499 0.326 18084
1158 1 4 . 1 1 45 45 ARG CB C 126 30.427 30.427 29.825 0.602 18084
1159 1 4 . 1 1 45 45 ARG H H 126 8.492 8.492 8.409 0.083 18084
1160 1 4 . 1 1 46 46 GLU N N 127 116.432 116.432 118.590 -2.158 18084
1161 1 4 . 1 1 46 46 GLU HA H 127 4.036 4.036 4.155 -0.119 18084
1162 1 4 . 1 1 46 46 GLU CA C 127 58.676 58.676 58.485 0.191 18084
1163 1 4 . 1 1 46 46 GLU CB C 127 29.842 29.842 29.812 0.030 18084
1164 1 4 . 1 1 46 46 GLU H H 127 7.944 7.944 8.085 -0.141 18084
1165 1 4 . 1 1 47 47 ALA N N 128 118.021 118.021 118.075 -0.054 18084
1166 1 4 . 1 1 47 47 ALA HA H 128 4.466 4.466 4.355 0.111 18084
1167 1 4 . 1 1 47 47 ALA CA C 128 51.798 51.798 52.002 -0.204 18084
1168 1 4 . 1 1 47 47 ALA CB C 128 22.115 22.115 19.579 2.536 18084
1169 1 4 . 1 1 47 47 ALA H H 128 7.195 7.195 7.232 -0.037 18084
1170 1 4 . 1 1 48 48 ASP N N 129 117.984 117.984 118.330 -0.346 18084
1171 1 4 . 1 1 48 48 ASP HA H 129 4.494 4.494 4.931 -0.437 18084
1172 1 4 . 1 1 48 48 ASP CA C 129 54.472 54.472 53.772 0.701 18084
1173 1 4 . 1 1 48 48 ASP CB C 129 40.753 40.753 41.660 -0.907 18084
1174 1 4 . 1 1 48 48 ASP H H 129 8.024 8.024 7.542 0.482 18084
1175 1 4 . 1 1 49 49 ILE N N 130 127.861 127.861 126.760 1.101 18084
1176 1 4 . 1 1 49 49 ILE HA H 130 3.918 3.918 4.214 -0.296 18084
1177 1 4 . 1 1 49 49 ILE CA C 130 63.240 63.240 61.975 1.265 18084
1178 1 4 . 1 1 49 49 ILE CB C 130 38.809 38.809 38.858 -0.050 18084
1179 1 4 . 1 1 49 49 ILE H H 130 8.302 8.302 9.631 -1.329 18084
1180 1 4 . 1 1 50 50 ASP N N 131 116.838 116.838 119.327 -2.489 18084
1181 1 4 . 1 1 50 50 ASP HA H 131 4.541 4.541 4.553 -0.012 18084
1182 1 4 . 1 1 50 50 ASP CA C 131 54.045 54.045 54.203 -0.158 18084
1183 1 4 . 1 1 50 50 ASP CB C 131 39.947 39.947 40.346 -0.399 18084
1184 1 4 . 1 1 50 50 ASP H H 131 8.350 8.350 8.744 -0.394 18084
1185 1 4 . 1 1 51 51 GLY N N 132 108.737 108.737 107.990 0.747 18084
1186 1 4 . 1 1 51 51 GLY CA C 132 47.528 47.528 45.984 1.544 18084
1187 1 4 . 1 1 51 51 GLY H H 132 7.634 7.634 8.163 -0.529 18084
1188 1 4 . 1 1 52 52 ASP N N 133 120.912 120.912 120.343 0.569 18084
1189 1 4 . 1 1 52 52 ASP HA H 133 4.486 4.486 4.522 -0.036 18084
1190 1 4 . 1 1 52 52 ASP CA C 133 53.799 53.799 53.873 -0.074 18084
1191 1 4 . 1 1 52 52 ASP CB C 133 40.223 40.223 41.559 -1.336 18084
1192 1 4 . 1 1 52 52 ASP H H 133 8.390 8.390 8.399 -0.009 18084
1193 1 4 . 1 1 53 53 GLY N N 134 112.792 112.792 109.685 3.107 18084
1194 1 4 . 1 1 53 53 GLY CA C 134 45.957 45.957 45.448 0.509 18084
1195 1 4 . 1 1 53 53 GLY H H 134 10.276 10.276 8.983 1.293 18084
1196 1 4 . 1 1 54 54 GLN N N 135 115.190 115.190 118.338 -3.148 18084
1197 1 4 . 1 1 54 54 GLN HA H 135 4.960 4.960 4.506 0.454 18084
1198 1 4 . 1 1 54 54 GLN CA C 135 53.311 53.311 53.993 -0.682 18084
1199 1 4 . 1 1 54 54 GLN CB C 135 32.662 32.662 32.481 0.181 18084
1200 1 4 . 1 1 54 54 GLN H H 135 7.993 7.993 7.918 0.075 18084
1201 1 4 . 1 1 55 55 VAL N N 136 125.623 125.623 122.692 2.931 18084
1202 1 4 . 1 1 55 55 VAL HA H 136 5.230 5.230 4.668 0.562 18084
1203 1 4 . 1 1 55 55 VAL CA C 136 61.782 61.782 60.901 0.881 18084
1204 1 4 . 1 1 55 55 VAL CB C 136 33.899 33.899 33.133 0.766 18084
1205 1 4 . 1 1 55 55 VAL H H 136 9.081 9.081 8.811 0.270 18084
1206 1 4 . 1 1 56 56 ASN N N 137 129.390 129.390 126.721 2.669 18084
1207 1 4 . 1 1 56 56 ASN HA H 137 5.331 5.331 5.451 -0.120 18084
1208 1 4 . 1 1 56 56 ASN CA C 137 51.131 51.131 51.752 -0.621 18084
1209 1 4 . 1 1 56 56 ASN CB C 137 38.423 38.423 39.826 -1.403 18084
1210 1 4 . 1 1 56 56 ASN H H 137 9.602 9.602 8.303 1.299 18084
1211 1 4 . 1 1 57 57 TYR N N 138 118.471 118.471 121.358 -2.887 18084
1212 1 4 . 1 1 57 57 TYR HA H 138 3.400 3.400 3.426 -0.026 18084
1213 1 4 . 1 1 57 57 TYR CA C 138 62.542 62.542 63.762 -1.220 18084
1214 1 4 . 1 1 57 57 TYR CB C 138 37.957 37.957 38.359 -0.402 18084
1215 1 4 . 1 1 57 57 TYR H H 138 8.361 8.361 9.215 -0.854 18084
1216 1 4 . 1 1 58 58 GLU N N 139 118.571 118.571 117.832 0.739 18084
1217 1 4 . 1 1 58 58 GLU HA H 139 3.634 3.634 3.931 -0.297 18084
1218 1 4 . 1 1 58 58 GLU CA C 139 60.285 60.285 60.423 -0.138 18084
1219 1 4 . 1 1 58 58 GLU CB C 139 28.798 28.798 28.878 -0.080 18084
1220 1 4 . 1 1 58 58 GLU H H 139 8.061 8.061 8.743 -0.682 18084
1221 1 4 . 1 1 59 59 GLU N N 140 119.901 119.901 120.229 -0.328 18084
1222 1 4 . 1 1 59 59 GLU HA H 140 3.882 3.882 4.063 -0.181 18084
1223 1 4 . 1 1 59 59 GLU CA C 140 58.783 58.783 59.044 -0.261 18084
1224 1 4 . 1 1 59 59 GLU CB C 140 29.693 29.693 29.732 -0.039 18084
1225 1 4 . 1 1 59 59 GLU H H 140 8.699 8.699 8.105 0.594 18084
1226 1 4 . 1 1 60 60 PHE N N 141 123.530 123.530 121.718 1.812 18084
1227 1 4 . 1 1 60 60 PHE HA H 141 3.555 3.555 4.169 -0.614 18084
1228 1 4 . 1 1 60 60 PHE CA C 141 61.934 61.934 61.837 0.097 18084
1229 1 4 . 1 1 60 60 PHE CB C 141 40.046 40.046 39.167 0.879 18084
1230 1 4 . 1 1 60 60 PHE H H 141 8.604 8.604 8.768 -0.164 18084
1231 1 4 . 1 1 61 61 VAL N N 142 119.574 119.574 118.901 0.673 18084
1232 1 4 . 1 1 61 61 VAL HA H 142 3.039 3.039 3.290 -0.251 18084
1233 1 4 . 1 1 61 61 VAL CA C 142 67.003 67.003 67.213 -0.210 18084
1234 1 4 . 1 1 61 61 VAL CB C 142 31.519 31.519 31.511 0.008 18084
1235 1 4 . 1 1 61 61 VAL H H 142 8.728 8.728 8.411 0.317 18084
1236 1 4 . 1 1 62 62 GLN N N 143 118.463 118.463 119.256 -0.793 18084
1237 1 4 . 1 1 62 62 GLN HA H 143 3.836 3.836 3.877 -0.041 18084
1238 1 4 . 1 1 62 62 GLN CA C 143 58.888 58.888 58.823 0.065 18084
1239 1 4 . 1 1 62 62 GLN CB C 143 28.024 28.024 28.740 -0.716 18084
1240 1 4 . 1 1 62 62 GLN H H 143 7.528 7.528 7.892 -0.364 18084
1241 1 4 . 1 1 63 63 MET N N 144 117.042 117.042 117.192 -0.150 18084
1242 1 4 . 1 1 63 63 MET HA H 144 4.188 4.188 4.123 0.065 18084
1243 1 4 . 1 1 63 63 MET CA C 144 56.830 56.830 58.199 -1.369 18084
1244 1 4 . 1 1 63 63 MET CB C 144 31.919 31.919 32.801 -0.882 18084
1245 1 4 . 1 1 63 63 MET H H 144 7.299 7.299 7.882 -0.583 18084
1246 1 4 . 1 1 64 64 MET N N 145 115.614 115.614 114.171 1.443 18084
1247 1 4 . 1 1 64 64 MET HA H 145 4.297 4.297 4.337 -0.040 18084
1248 1 4 . 1 1 64 64 MET CA C 145 55.443 55.443 57.731 -2.288 18084
1249 1 4 . 1 1 64 64 MET CB C 145 33.556 33.556 33.314 0.242 18084
1250 1 4 . 1 1 64 64 MET H H 145 7.727 7.727 7.391 0.336 18084
1251 1 4 . 1 1 65 65 THR N N 146 110.331 110.331 117.663 -7.332 18084
1252 1 4 . 1 1 65 65 THR HA H 146 4.283 4.283 4.270 0.013 18084
1253 1 4 . 1 1 65 65 THR CA C 146 62.323 62.323 62.055 0.268 18084
1254 1 4 . 1 1 65 65 THR CB C 146 70.214 70.214 66.800 3.414 18084
1255 1 4 . 1 1 65 65 THR H H 146 7.591 7.591 7.920 -0.329 18084
1256 1 4 . 1 1 66 66 ALA N N 147 126.381 126.381 125.197 1.184 18084
1257 1 4 . 1 1 66 66 ALA HA H 147 4.319 4.319 4.338 -0.019 18084
1258 1 4 . 1 1 66 66 ALA CA C 147 52.896 52.896 52.237 0.659 18084
1259 1 4 . 1 1 66 66 ALA CB C 147 19.066 19.066 20.083 -1.017 18084
1260 1 4 . 1 1 66 66 ALA H H 147 7.564 7.564 7.597 -0.033 18084
1261 1 5 . 1 1 2 2 GLU N N 83 119.694 119.694 121.577 -1.883 18084
1262 1 5 . 1 1 2 2 GLU HA H 83 4.059 4.059 3.990 0.069 18084
1263 1 5 . 1 1 2 2 GLU CA C 83 59.784 59.784 59.962 -0.178 18084
1264 1 5 . 1 1 2 2 GLU CB C 83 29.191 29.191 29.745 -0.554 18084
1265 1 5 . 1 1 2 2 GLU H H 83 8.307 8.307 8.612 -0.305 18084
1266 1 5 . 1 1 3 3 GLU N N 84 120.715 120.715 118.354 2.361 18084
1267 1 5 . 1 1 3 3 GLU HA H 84 4.064 4.064 4.075 -0.011 18084
1268 1 5 . 1 1 3 3 GLU CA C 84 59.505 59.505 59.654 -0.149 18084
1269 1 5 . 1 1 3 3 GLU CB C 84 30.028 30.028 29.018 1.010 18084
1270 1 5 . 1 1 3 3 GLU H H 84 7.675 7.675 8.808 -1.133 18084
1271 1 5 . 1 1 4 4 ILE N N 85 121.349 121.349 118.966 2.383 18084
1272 1 5 . 1 1 4 4 ILE HA H 85 3.866 3.866 3.863 0.003 18084
1273 1 5 . 1 1 4 4 ILE CA C 85 65.483 65.483 65.132 0.351 18084
1274 1 5 . 1 1 4 4 ILE CB C 85 37.465 37.465 37.732 -0.267 18084
1275 1 5 . 1 1 4 4 ILE H H 85 7.940 7.940 8.066 -0.126 18084
1276 1 5 . 1 1 5 5 ARG N N 86 122.126 122.126 120.108 2.018 18084
1277 1 5 . 1 1 5 5 ARG HA H 86 4.223 4.223 4.220 0.003 18084
1278 1 5 . 1 1 5 5 ARG CA C 86 60.172 60.172 59.982 0.190 18084
1279 1 5 . 1 1 5 5 ARG CB C 86 29.624 29.624 30.261 -0.637 18084
1280 1 5 . 1 1 5 5 ARG H H 86 8.535 8.535 8.250 0.285 18084
1281 1 5 . 1 1 6 6 GLU N N 87 118.362 118.362 119.166 -0.804 18084
1282 1 5 . 1 1 6 6 GLU HA H 87 4.067 4.067 4.154 -0.087 18084
1283 1 5 . 1 1 6 6 GLU CA C 87 59.261 59.261 58.829 0.432 18084
1284 1 5 . 1 1 6 6 GLU CB C 87 29.515 29.515 29.753 -0.238 18084
1285 1 5 . 1 1 6 6 GLU H H 87 8.232 8.232 8.385 -0.153 18084
1286 1 5 . 1 1 7 7 ALA N N 88 121.569 121.569 122.757 -1.188 18084
1287 1 5 . 1 1 7 7 ALA HA H 88 4.205 4.205 3.736 0.469 18084
1288 1 5 . 1 1 7 7 ALA CA C 88 55.505 55.505 55.016 0.489 18084
1289 1 5 . 1 1 7 7 ALA CB C 88 17.919 17.919 18.056 -0.137 18084
1290 1 5 . 1 1 7 7 ALA H H 88 8.011 8.011 8.285 -0.274 18084
1291 1 5 . 1 1 8 8 PHE N N 89 119.066 119.066 119.482 -0.416 18084
1292 1 5 . 1 1 8 8 PHE HA H 89 3.295 3.295 3.681 -0.386 18084
1293 1 5 . 1 1 8 8 PHE CA C 89 62.428 62.428 60.863 1.565 18084
1294 1 5 . 1 1 8 8 PHE CB C 89 39.058 39.058 38.868 0.190 18084
1295 1 5 . 1 1 8 8 PHE H H 89 8.682 8.682 7.904 0.778 18084
1296 1 5 . 1 1 9 9 ARG N N 90 115.506 115.506 118.520 -3.014 18084
1297 1 5 . 1 1 9 9 ARG HA H 90 3.894 3.894 3.879 0.015 18084
1298 1 5 . 1 1 9 9 ARG CA C 90 58.779 58.779 58.238 0.541 18084
1299 1 5 . 1 1 9 9 ARG CB C 90 30.526 30.526 29.405 1.121 18084
1300 1 5 . 1 1 9 9 ARG H H 90 7.803 7.803 7.415 0.388 18084
1301 1 5 . 1 1 10 10 VAL N N 91 118.528 118.528 118.258 0.270 18084
1302 1 5 . 1 1 10 10 VAL HA H 91 3.498 3.498 3.714 -0.216 18084
1303 1 5 . 1 1 10 10 VAL CA C 91 65.886 65.886 65.597 0.289 18084
1304 1 5 . 1 1 10 10 VAL CB C 91 31.135 31.135 31.553 -0.418 18084
1305 1 5 . 1 1 10 10 VAL H H 91 7.457 7.457 7.492 -0.035 18084
1306 1 5 . 1 1 11 11 PHE N N 92 114.999 114.999 116.575 -1.576 18084
1307 1 5 . 1 1 11 11 PHE HA H 92 4.182 4.182 4.277 -0.095 18084
1308 1 5 . 1 1 11 11 PHE CA C 92 60.728 60.728 58.820 1.908 18084
1309 1 5 . 1 1 11 11 PHE CB C 92 41.596 41.596 38.808 2.788 18084
1310 1 5 . 1 1 11 11 PHE H H 92 7.119 7.119 7.734 -0.615 18084
1311 1 5 . 1 1 12 12 ASP N N 93 116.105 116.105 119.159 -3.054 18084
1312 1 5 . 1 1 12 12 ASP HA H 93 4.609 4.609 4.737 -0.128 18084
1313 1 5 . 1 1 12 12 ASP CA C 93 52.575 52.575 52.838 -0.263 18084
1314 1 5 . 1 1 12 12 ASP CB C 93 38.699 38.699 38.868 -0.169 18084
1315 1 5 . 1 1 12 12 ASP H H 93 7.966 7.966 7.960 0.006 18084
1316 1 5 . 1 1 13 13 LYS N N 94 126.306 126.306 123.962 2.344 18084
1317 1 5 . 1 1 13 13 LYS HA H 94 3.956 3.956 4.017 -0.061 18084
1318 1 5 . 1 1 13 13 LYS CA C 94 59.124 59.124 58.905 0.219 18084
1319 1 5 . 1 1 13 13 LYS CB C 94 32.783 32.783 32.608 0.175 18084
1320 1 5 . 1 1 13 13 LYS H H 94 7.912 7.912 8.037 -0.125 18084
1321 1 5 . 1 1 14 14 ASP N N 95 114.408 114.408 117.840 -3.432 18084
1322 1 5 . 1 1 14 14 ASP HA H 95 4.574 4.574 4.436 0.138 18084
1323 1 5 . 1 1 14 14 ASP CA C 95 53.094 53.094 54.940 -1.846 18084
1324 1 5 . 1 1 14 14 ASP CB C 95 39.625 39.625 41.071 -1.446 18084
1325 1 5 . 1 1 14 14 ASP H H 95 8.210 8.210 8.397 -0.187 18084
1326 1 5 . 1 1 15 15 GLY N N 96 109.216 109.216 108.968 0.248 18084
1327 1 5 . 1 1 15 15 GLY CA C 96 47.204 47.204 45.256 1.948 18084
1328 1 5 . 1 1 15 15 GLY H H 96 7.789 7.789 8.356 -0.567 18084
1329 1 5 . 1 1 16 16 ASN N N 97 119.756 119.756 118.423 1.333 18084
1330 1 5 . 1 1 16 16 ASN HA H 97 4.670 4.670 4.843 -0.172 18084
1331 1 5 . 1 1 16 16 ASN CA C 97 52.817 52.817 52.208 0.609 18084
1332 1 5 . 1 1 16 16 ASN CB C 97 38.260 38.260 39.919 -1.659 18084
1333 1 5 . 1 1 16 16 ASN H H 97 8.376 8.376 8.952 -0.576 18084
1334 1 5 . 1 1 17 17 GLY N N 98 112.788 112.788 108.732 4.056 18084
1335 1 5 . 1 1 17 17 GLY CA C 98 45.075 45.075 45.691 -0.616 18084
1336 1 5 . 1 1 17 17 GLY H H 98 10.652 10.652 9.182 1.470 18084
1337 1 5 . 1 1 18 18 TYR N N 99 116.107 116.107 118.571 -2.464 18084
1338 1 5 . 1 1 18 18 TYR HA H 99 5.061 5.061 5.136 -0.075 18084
1339 1 5 . 1 1 18 18 TYR CA C 99 56.262 56.262 57.059 -0.797 18084
1340 1 5 . 1 1 18 18 TYR CB C 99 43.007 43.007 41.596 1.411 18084
1341 1 5 . 1 1 18 18 TYR H H 99 7.674 7.674 8.447 -0.773 18084
1342 1 5 . 1 1 19 19 ILE N N 100 127.280 127.280 127.071 0.209 18084
1343 1 5 . 1 1 19 19 ILE HA H 100 4.720 4.720 4.234 0.486 18084
1344 1 5 . 1 1 19 19 ILE CA C 100 61.231 61.231 61.830 -0.599 18084
1345 1 5 . 1 1 19 19 ILE CB C 100 39.342 39.342 37.879 1.463 18084
1346 1 5 . 1 1 19 19 ILE H H 100 10.172 10.172 8.930 1.242 18084
1347 1 5 . 1 1 20 20 SER N N 101 123.721 123.721 124.728 -1.007 18084
1348 1 5 . 1 1 20 20 SER HA H 101 4.959 4.959 4.681 0.278 18084
1349 1 5 . 1 1 20 20 SER CA C 101 55.629 55.629 57.755 -2.126 18084
1350 1 5 . 1 1 20 20 SER CB C 101 66.984 66.984 64.380 2.604 18084
1351 1 5 . 1 1 20 20 SER H H 101 8.978 8.978 9.146 -0.168 18084
1352 1 5 . 1 1 21 21 ALA N N 102 123.086 123.086 125.664 -2.578 18084
1353 1 5 . 1 1 21 21 ALA HA H 102 3.920 3.920 4.072 -0.152 18084
1354 1 5 . 1 1 21 21 ALA CA C 102 55.987 55.987 55.557 0.430 18084
1355 1 5 . 1 1 21 21 ALA CB C 102 18.036 18.036 18.320 -0.284 18084
1356 1 5 . 1 1 21 21 ALA H H 102 9.212 9.212 8.784 0.428 18084
1357 1 5 . 1 1 22 22 ALA N N 103 118.515 118.515 119.750 -1.235 18084
1358 1 5 . 1 1 22 22 ALA HA H 103 4.066 4.066 4.042 0.024 18084
1359 1 5 . 1 1 22 22 ALA CA C 103 55.277 55.277 54.810 0.467 18084
1360 1 5 . 1 1 22 22 ALA CB C 103 18.403 18.403 18.256 0.147 18084
1361 1 5 . 1 1 22 22 ALA H H 103 8.234 8.234 8.599 -0.365 18084
1362 1 5 . 1 1 23 23 GLU N N 104 120.368 120.368 118.894 1.474 18084
1363 1 5 . 1 1 23 23 GLU HA H 104 4.052 4.052 4.107 -0.055 18084
1364 1 5 . 1 1 23 23 GLU CA C 104 59.617 59.617 58.904 0.713 18084
1365 1 5 . 1 1 23 23 GLU CB C 104 29.263 29.263 29.645 -0.382 18084
1366 1 5 . 1 1 23 23 GLU H H 104 7.863 7.863 7.481 0.382 18084
1367 1 5 . 1 1 24 24 LEU N N 105 121.416 121.416 120.944 0.472 18084
1368 1 5 . 1 1 24 24 LEU HA H 105 4.187 4.187 4.071 0.116 18084
1369 1 5 . 1 1 24 24 LEU CA C 105 58.561 58.561 57.272 1.289 18084
1370 1 5 . 1 1 24 24 LEU CB C 105 42.122 42.122 42.007 0.115 18084
1371 1 5 . 1 1 24 24 LEU H H 105 8.502 8.502 8.321 0.181 18084
1372 1 5 . 1 1 25 25 ARG N N 106 118.344 118.344 118.525 -0.181 18084
1373 1 5 . 1 1 25 25 ARG HA H 106 3.710 3.710 3.839 -0.129 18084
1374 1 5 . 1 1 25 25 ARG CA C 106 60.063 60.063 60.540 -0.477 18084
1375 1 5 . 1 1 25 25 ARG CB C 106 30.399 30.399 29.913 0.486 18084
1376 1 5 . 1 1 25 25 ARG H H 106 8.691 8.691 8.311 0.380 18084
1377 1 5 . 1 1 26 26 HIS N N 107 119.487 119.487 117.842 1.645 18084
1378 1 5 . 1 1 26 26 HIS HA H 107 4.307 4.307 4.410 -0.103 18084
1379 1 5 . 1 1 26 26 HIS CA C 107 60.105 60.105 58.584 1.521 18084
1380 1 5 . 1 1 26 26 HIS CB C 107 30.761 30.761 29.579 1.182 18084
1381 1 5 . 1 1 26 26 HIS H H 107 7.960 7.960 8.236 -0.276 18084
1382 1 5 . 1 1 27 27 VAL N N 108 119.546 119.546 120.221 -0.675 18084
1383 1 5 . 1 1 27 27 VAL HA H 108 3.513 3.513 3.563 -0.050 18084
1384 1 5 . 1 1 27 27 VAL CA C 108 66.746 66.746 66.143 0.603 18084
1385 1 5 . 1 1 27 27 VAL CB C 108 31.783 31.783 31.558 0.225 18084
1386 1 5 . 1 1 27 27 VAL H H 108 7.896 7.896 7.418 0.478 18084
1387 1 5 . 1 1 28 28 MET N N 109 115.613 115.613 117.143 -1.530 18084
1388 1 5 . 1 1 28 28 MET HA H 109 4.359 4.359 4.125 0.234 18084
1389 1 5 . 1 1 28 28 MET CA C 109 57.020 57.020 58.146 -1.126 18084
1390 1 5 . 1 1 28 28 MET CB C 109 29.108 29.108 32.055 -2.947 18084
1391 1 5 . 1 1 28 28 MET H H 109 8.348 8.348 8.484 -0.136 18084
1392 1 5 . 1 1 29 29 THR N N 110 116.414 116.414 113.878 2.536 18084
1393 1 5 . 1 1 29 29 THR HA H 110 4.115 4.115 4.110 0.005 18084
1394 1 5 . 1 1 29 29 THR CA C 110 66.511 66.511 66.144 0.367 18084
1395 1 5 . 1 1 29 29 THR CB C 110 68.667 68.667 68.562 0.105 18084
1396 1 5 . 1 1 29 29 THR H H 110 8.318 8.318 7.533 0.785 18084
1397 1 5 . 1 1 30 30 ASN N N 111 123.002 123.002 118.997 4.005 18084
1398 1 5 . 1 1 30 30 ASN HA H 111 4.476 4.476 4.646 -0.170 18084
1399 1 5 . 1 1 30 30 ASN CA C 111 55.892 55.892 54.132 1.760 18084
1400 1 5 . 1 1 30 30 ASN CB C 111 38.279 38.279 38.312 -0.033 18084
1401 1 5 . 1 1 30 30 ASN H H 111 7.792 7.792 7.381 0.411 18084
1402 1 5 . 1 1 31 31 LEU N N 112 119.010 119.010 119.507 -0.497 18084
1403 1 5 . 1 1 31 31 LEU HA H 112 4.331 4.331 4.460 -0.129 18084
1404 1 5 . 1 1 31 31 LEU CA C 112 55.619 55.619 53.890 1.729 18084
1405 1 5 . 1 1 31 31 LEU CB C 112 42.190 42.190 42.050 0.140 18084
1406 1 5 . 1 1 31 31 LEU H H 112 7.788 7.788 7.595 0.194 18084
1407 1 5 . 1 1 32 32 GLY N N 113 106.844 106.844 108.229 -1.385 18084
1408 1 5 . 1 1 32 32 GLY CA C 113 45.330 45.330 45.971 -0.640 18084
1409 1 5 . 1 1 32 32 GLY H H 113 7.816 7.816 7.550 0.266 18084
1410 1 5 . 1 1 33 33 GLU N N 114 120.325 120.325 125.807 -5.482 18084
1411 1 5 . 1 1 33 33 GLU HA H 114 4.454 4.454 4.242 0.212 18084
1412 1 5 . 1 1 33 33 GLU CA C 114 55.014 55.014 55.944 -0.930 18084
1413 1 5 . 1 1 33 33 GLU CB C 114 30.494 30.494 29.279 1.215 18084
1414 1 5 . 1 1 33 33 GLU H H 114 7.888 7.888 8.019 -0.131 18084
1415 1 5 . 1 1 34 34 LYS N N 115 125.103 125.103 125.700 -0.597 18084
1416 1 5 . 1 1 34 34 LYS HA H 115 4.401 4.401 4.220 0.181 18084
1417 1 5 . 1 1 34 34 LYS CA C 115 55.500 55.500 56.306 -0.806 18084
1418 1 5 . 1 1 34 34 LYS CB C 115 31.970 31.970 32.063 -0.093 18084
1419 1 5 . 1 1 34 34 LYS H H 115 8.576 8.576 8.272 0.304 18084
1420 1 5 . 1 1 35 35 LEU N N 116 124.861 124.861 126.793 -1.932 18084
1421 1 5 . 1 1 35 35 LEU HA H 116 4.759 4.759 4.550 0.209 18084
1422 1 5 . 1 1 35 35 LEU CA C 116 54.130 54.130 53.729 0.401 18084
1423 1 5 . 1 1 35 35 LEU CB C 116 44.629 44.629 43.091 1.538 18084
1424 1 5 . 1 1 35 35 LEU H H 116 8.002 8.002 8.221 -0.219 18084
1425 1 5 . 1 1 36 36 THR N N 117 114.594 114.594 112.402 2.192 18084
1426 1 5 . 1 1 36 36 THR HA H 117 4.601 4.601 4.296 0.305 18084
1427 1 5 . 1 1 36 36 THR CA C 117 60.777 60.777 61.150 -0.373 18084
1428 1 5 . 1 1 36 36 THR CB C 117 71.180 71.180 70.300 0.880 18084
1429 1 5 . 1 1 36 36 THR H H 117 9.238 9.238 9.171 0.067 18084
1430 1 5 . 1 1 37 37 ASP N N 118 121.017 121.017 121.243 -0.226 18084
1431 1 5 . 1 1 37 37 ASP HA H 118 4.216 4.216 4.317 -0.101 18084
1432 1 5 . 1 1 37 37 ASP CA C 118 58.138 58.138 58.084 0.054 18084
1433 1 5 . 1 1 37 37 ASP CB C 118 39.658 39.658 40.727 -1.069 18084
1434 1 5 . 1 1 37 37 ASP H H 118 8.854 8.854 8.828 0.026 18084
1435 1 5 . 1 1 38 38 GLU N N 119 119.262 119.262 117.811 1.451 18084
1436 1 5 . 1 1 38 38 GLU HA H 119 4.113 4.113 4.093 0.020 18084
1437 1 5 . 1 1 38 38 GLU CA C 119 59.919 59.919 59.616 0.303 18084
1438 1 5 . 1 1 38 38 GLU CB C 119 29.132 29.132 29.166 -0.034 18084
1439 1 5 . 1 1 38 38 GLU H H 119 8.629 8.629 8.908 -0.279 18084
1440 1 5 . 1 1 39 39 GLU N N 120 118.567 118.567 119.687 -1.120 18084
1441 1 5 . 1 1 39 39 GLU HA H 120 4.074 4.074 4.068 0.006 18084
1442 1 5 . 1 1 39 39 GLU CA C 120 59.391 59.391 59.316 0.075 18084
1443 1 5 . 1 1 39 39 GLU CB C 120 30.211 30.211 29.672 0.539 18084
1444 1 5 . 1 1 39 39 GLU H H 120 8.097 8.097 7.537 0.560 18084
1445 1 5 . 1 1 40 40 VAL N N 121 120.686 120.686 120.252 0.434 18084
1446 1 5 . 1 1 40 40 VAL HA H 121 3.465 3.465 3.596 -0.131 18084
1447 1 5 . 1 1 40 40 VAL CA C 121 66.809 66.809 66.607 0.202 18084
1448 1 5 . 1 1 40 40 VAL CB C 121 31.587 31.587 31.662 -0.075 18084
1449 1 5 . 1 1 40 40 VAL H H 121 7.969 7.969 8.058 -0.089 18084
1450 1 5 . 1 1 41 41 ASP N N 122 119.330 119.330 120.659 -1.329 18084
1451 1 5 . 1 1 41 41 ASP HA H 122 4.348 4.348 4.284 0.064 18084
1452 1 5 . 1 1 41 41 ASP CA C 122 57.868 57.868 57.867 0.000 18084
1453 1 5 . 1 1 41 41 ASP CB C 122 40.541 40.541 40.825 -0.284 18084
1454 1 5 . 1 1 41 41 ASP H H 122 7.972 7.972 8.428 -0.456 18084
1455 1 5 . 1 1 42 42 GLU N N 123 119.682 119.682 119.551 0.131 18084
1456 1 5 . 1 1 42 42 GLU HA H 123 3.975 3.975 4.018 -0.043 18084
1457 1 5 . 1 1 42 42 GLU CA C 123 59.521 59.521 59.121 0.400 18084
1458 1 5 . 1 1 42 42 GLU CB C 123 29.566 29.566 29.676 -0.110 18084
1459 1 5 . 1 1 42 42 GLU H H 123 8.016 8.016 8.089 -0.073 18084
1460 1 5 . 1 1 43 43 MET N N 124 119.466 119.466 118.418 1.048 18084
1461 1 5 . 1 1 43 43 MET HA H 124 4.123 4.123 4.067 0.056 18084
1462 1 5 . 1 1 43 43 MET CA C 124 60.111 60.111 59.769 0.342 18084
1463 1 5 . 1 1 43 43 MET CB C 124 33.358 33.358 32.913 0.445 18084
1464 1 5 . 1 1 43 43 MET H H 124 7.825 7.825 7.881 -0.056 18084
1465 1 5 . 1 1 44 44 ILE N N 125 119.195 119.195 117.117 2.078 18084
1466 1 5 . 1 1 44 44 ILE HA H 125 3.821 3.821 3.787 0.034 18084
1467 1 5 . 1 1 44 44 ILE CA C 125 63.732 63.732 63.990 -0.258 18084
1468 1 5 . 1 1 44 44 ILE CB C 125 36.277 36.277 37.208 -0.931 18084
1469 1 5 . 1 1 44 44 ILE H H 125 7.952 7.952 8.009 -0.057 18084
1470 1 5 . 1 1 45 45 ARG N N 126 118.673 118.673 119.667 -0.994 18084
1471 1 5 . 1 1 45 45 ARG HA H 126 4.063 4.063 3.967 0.096 18084
1472 1 5 . 1 1 45 45 ARG CA C 126 59.825 59.825 59.154 0.671 18084
1473 1 5 . 1 1 45 45 ARG CB C 126 30.427 30.427 30.366 0.061 18084
1474 1 5 . 1 1 45 45 ARG H H 126 8.492 8.492 8.120 0.372 18084
1475 1 5 . 1 1 46 46 GLU N N 127 116.432 116.432 116.704 -0.272 18084
1476 1 5 . 1 1 46 46 GLU HA H 127 4.036 4.036 4.217 -0.181 18084
1477 1 5 . 1 1 46 46 GLU CA C 127 58.676 58.676 57.995 0.680 18084
1478 1 5 . 1 1 46 46 GLU CB C 127 29.842 29.842 29.947 -0.105 18084
1479 1 5 . 1 1 46 46 GLU H H 127 7.944 7.944 7.778 0.166 18084
1480 1 5 . 1 1 47 47 ALA N N 128 118.021 118.021 118.867 -0.846 18084
1481 1 5 . 1 1 47 47 ALA HA H 128 4.466 4.466 4.360 0.106 18084
1482 1 5 . 1 1 47 47 ALA CA C 128 51.798 51.798 51.943 -0.145 18084
1483 1 5 . 1 1 47 47 ALA CB C 128 22.115 22.115 19.669 2.446 18084
1484 1 5 . 1 1 47 47 ALA H H 128 7.195 7.195 7.212 -0.017 18084
1485 1 5 . 1 1 48 48 ASP N N 129 117.984 117.984 118.711 -0.727 18084
1486 1 5 . 1 1 48 48 ASP HA H 129 4.494 4.494 4.942 -0.448 18084
1487 1 5 . 1 1 48 48 ASP CA C 129 54.472 54.472 53.700 0.772 18084
1488 1 5 . 1 1 48 48 ASP CB C 129 40.753 40.753 41.521 -0.768 18084
1489 1 5 . 1 1 48 48 ASP H H 129 8.024 8.024 7.597 0.427 18084
1490 1 5 . 1 1 49 49 ILE N N 130 127.861 127.861 125.844 2.017 18084
1491 1 5 . 1 1 49 49 ILE HA H 130 3.918 3.918 4.251 -0.333 18084
1492 1 5 . 1 1 49 49 ILE CA C 130 63.240 63.240 61.650 1.590 18084
1493 1 5 . 1 1 49 49 ILE CB C 130 38.809 38.809 38.647 0.162 18084
1494 1 5 . 1 1 49 49 ILE H H 130 8.302 8.302 9.391 -1.089 18084
1495 1 5 . 1 1 50 50 ASP N N 131 116.838 116.838 120.963 -4.125 18084
1496 1 5 . 1 1 50 50 ASP HA H 131 4.541 4.541 4.580 -0.039 18084
1497 1 5 . 1 1 50 50 ASP CA C 131 54.045 54.045 54.348 -0.303 18084
1498 1 5 . 1 1 50 50 ASP CB C 131 39.947 39.947 41.202 -1.255 18084
1499 1 5 . 1 1 50 50 ASP H H 131 8.350 8.350 8.919 -0.569 18084
1500 1 5 . 1 1 51 51 GLY N N 132 108.737 108.737 109.362 -0.625 18084
1501 1 5 . 1 1 51 51 GLY CA C 132 47.528 47.528 45.565 1.963 18084
1502 1 5 . 1 1 51 51 GLY H H 132 7.634 7.634 8.570 -0.936 18084
1503 1 5 . 1 1 52 52 ASP N N 133 120.912 120.912 119.092 1.820 18084
1504 1 5 . 1 1 52 52 ASP HA H 133 4.486 4.486 4.665 -0.179 18084
1505 1 5 . 1 1 52 52 ASP CA C 133 53.799 53.799 53.477 0.322 18084
1506 1 5 . 1 1 52 52 ASP CB C 133 40.223 40.223 42.230 -2.007 18084
1507 1 5 . 1 1 52 52 ASP H H 133 8.390 8.390 8.528 -0.138 18084
1508 1 5 . 1 1 53 53 GLY N N 134 112.792 112.792 110.048 2.744 18084
1509 1 5 . 1 1 53 53 GLY CA C 134 45.957 45.957 45.280 0.677 18084
1510 1 5 . 1 1 53 53 GLY H H 134 10.276 10.276 9.006 1.270 18084
1511 1 5 . 1 1 54 54 GLN N N 135 115.190 115.190 119.223 -4.033 18084
1512 1 5 . 1 1 54 54 GLN HA H 135 4.960 4.960 4.743 0.217 18084
1513 1 5 . 1 1 54 54 GLN CA C 135 53.311 53.311 54.136 -0.825 18084
1514 1 5 . 1 1 54 54 GLN CB C 135 32.662 32.662 32.015 0.647 18084
1515 1 5 . 1 1 54 54 GLN H H 135 7.993 7.993 8.028 -0.035 18084
1516 1 5 . 1 1 55 55 VAL N N 136 125.623 125.623 116.681 8.942 18084
1517 1 5 . 1 1 55 55 VAL HA H 136 5.230 5.230 4.865 0.365 18084
1518 1 5 . 1 1 55 55 VAL CA C 136 61.782 61.782 60.738 1.044 18084
1519 1 5 . 1 1 55 55 VAL CB C 136 33.899 33.899 33.008 0.891 18084
1520 1 5 . 1 1 55 55 VAL H H 136 9.081 9.081 8.057 1.024 18084
1521 1 5 . 1 1 56 56 ASN N N 137 129.390 129.390 124.880 4.510 18084
1522 1 5 . 1 1 56 56 ASN HA H 137 5.331 5.331 5.072 0.259 18084
1523 1 5 . 1 1 56 56 ASN CA C 137 51.131 51.131 50.612 0.519 18084
1524 1 5 . 1 1 56 56 ASN CB C 137 38.423 38.423 39.774 -1.351 18084
1525 1 5 . 1 1 56 56 ASN H H 137 9.602 9.602 8.274 1.328 18084
1526 1 5 . 1 1 57 57 TYR N N 138 118.471 118.471 120.328 -1.857 18084
1527 1 5 . 1 1 57 57 TYR HA H 138 3.400 3.400 2.976 0.424 18084
1528 1 5 . 1 1 57 57 TYR CA C 138 62.542 62.542 63.081 -0.540 18084
1529 1 5 . 1 1 57 57 TYR CB C 138 37.957 37.957 38.323 -0.366 18084
1530 1 5 . 1 1 57 57 TYR H H 138 8.361 8.361 8.556 -0.195 18084
1531 1 5 . 1 1 58 58 GLU N N 139 118.571 118.571 117.969 0.602 18084
1532 1 5 . 1 1 58 58 GLU HA H 139 3.634 3.634 3.850 -0.216 18084
1533 1 5 . 1 1 58 58 GLU CA C 139 60.285 60.285 59.674 0.611 18084
1534 1 5 . 1 1 58 58 GLU CB C 139 28.798 28.798 28.833 -0.035 18084
1535 1 5 . 1 1 58 58 GLU H H 139 8.061 8.061 8.188 -0.127 18084
1536 1 5 . 1 1 59 59 GLU N N 140 119.901 119.901 120.394 -0.493 18084
1537 1 5 . 1 1 59 59 GLU HA H 140 3.882 3.882 3.982 -0.100 18084
1538 1 5 . 1 1 59 59 GLU CA C 140 58.783 58.783 59.103 -0.320 18084
1539 1 5 . 1 1 59 59 GLU CB C 140 29.693 29.693 29.617 0.076 18084
1540 1 5 . 1 1 59 59 GLU H H 140 8.699 8.699 8.631 0.068 18084
1541 1 5 . 1 1 60 60 PHE N N 141 123.530 123.530 121.367 2.163 18084
1542 1 5 . 1 1 60 60 PHE HA H 141 3.555 3.555 4.096 -0.541 18084
1543 1 5 . 1 1 60 60 PHE CA C 141 61.934 61.934 61.931 0.003 18084
1544 1 5 . 1 1 60 60 PHE CB C 141 40.046 40.046 38.992 1.054 18084
1545 1 5 . 1 1 60 60 PHE H H 141 8.604 8.604 8.672 -0.068 18084
1546 1 5 . 1 1 61 61 VAL N N 142 119.574 119.574 119.181 0.393 18084
1547 1 5 . 1 1 61 61 VAL HA H 142 3.039 3.039 3.453 -0.414 18084
1548 1 5 . 1 1 61 61 VAL CA C 142 67.003 67.003 66.354 0.649 18084
1549 1 5 . 1 1 61 61 VAL CB C 142 31.519 31.519 31.367 0.152 18084
1550 1 5 . 1 1 61 61 VAL H H 142 8.728 8.728 7.959 0.769 18084
1551 1 5 . 1 1 62 62 GLN N N 143 118.463 118.463 118.827 -0.364 18084
1552 1 5 . 1 1 62 62 GLN HA H 143 3.836 3.836 3.911 -0.075 18084
1553 1 5 . 1 1 62 62 GLN CA C 143 58.888 58.888 58.803 0.085 18084
1554 1 5 . 1 1 62 62 GLN CB C 143 28.024 28.024 28.959 -0.935 18084
1555 1 5 . 1 1 62 62 GLN H H 143 7.528 7.528 8.088 -0.560 18084
1556 1 5 . 1 1 63 63 MET N N 144 117.042 117.042 117.722 -0.680 18084
1557 1 5 . 1 1 63 63 MET HA H 144 4.188 4.188 4.093 0.095 18084
1558 1 5 . 1 1 63 63 MET CA C 144 56.830 56.830 58.141 -1.311 18084
1559 1 5 . 1 1 63 63 MET CB C 144 31.919 31.919 32.782 -0.863 18084
1560 1 5 . 1 1 63 63 MET H H 144 7.299 7.299 7.990 -0.691 18084
1561 1 5 . 1 1 64 64 MET N N 145 115.614 115.614 117.227 -1.613 18084
1562 1 5 . 1 1 64 64 MET HA H 145 4.297 4.297 4.191 0.106 18084
1563 1 5 . 1 1 64 64 MET CA C 145 55.443 55.443 58.438 -2.995 18084
1564 1 5 . 1 1 64 64 MET CB C 145 33.556 33.556 33.182 0.374 18084
1565 1 5 . 1 1 64 64 MET H H 145 7.727 7.727 7.545 0.182 18084
1566 1 5 . 1 1 65 65 THR N N 146 110.331 110.331 116.386 -6.055 18084
1567 1 5 . 1 1 65 65 THR HA H 146 4.283 4.283 4.344 -0.061 18084
1568 1 5 . 1 1 65 65 THR CA C 146 62.323 62.323 61.894 0.430 18084
1569 1 5 . 1 1 65 65 THR CB C 146 70.214 70.214 66.961 3.253 18084
1570 1 5 . 1 1 65 65 THR H H 146 7.591 7.591 7.968 -0.377 18084
1571 1 5 . 1 1 66 66 ALA N N 147 126.381 126.381 125.344 1.037 18084
1572 1 5 . 1 1 66 66 ALA HA H 147 4.319 4.319 4.438 -0.119 18084
1573 1 5 . 1 1 66 66 ALA CA C 147 52.896 52.896 51.436 1.460 18084
1574 1 5 . 1 1 66 66 ALA CB C 147 19.066 19.066 18.287 0.779 18084
1575 1 5 . 1 1 66 66 ALA H H 147 7.564 7.564 7.654 -0.090 18084
1576 1 6 . 1 1 2 2 GLU N N 83 119.694 119.694 120.752 -1.058 18084
1577 1 6 . 1 1 2 2 GLU HA H 83 4.059 4.059 3.996 0.063 18084
1578 1 6 . 1 1 2 2 GLU CA C 83 59.784 59.784 59.948 -0.164 18084
1579 1 6 . 1 1 2 2 GLU CB C 83 29.191 29.191 29.616 -0.425 18084
1580 1 6 . 1 1 2 2 GLU H H 83 8.307 8.307 8.522 -0.215 18084
1581 1 6 . 1 1 3 3 GLU N N 84 120.715 120.715 120.298 0.417 18084
1582 1 6 . 1 1 3 3 GLU HA H 84 4.064 4.064 4.114 -0.050 18084
1583 1 6 . 1 1 3 3 GLU CA C 84 59.505 59.505 59.513 -0.008 18084
1584 1 6 . 1 1 3 3 GLU CB C 84 30.028 30.028 28.952 1.076 18084
1585 1 6 . 1 1 3 3 GLU H H 84 7.675 7.675 8.691 -1.016 18084
1586 1 6 . 1 1 4 4 ILE N N 85 121.349 121.349 118.916 2.433 18084
1587 1 6 . 1 1 4 4 ILE HA H 85 3.866 3.866 3.819 0.047 18084
1588 1 6 . 1 1 4 4 ILE CA C 85 65.483 65.483 64.597 0.885 18084
1589 1 6 . 1 1 4 4 ILE CB C 85 37.465 37.465 37.441 0.025 18084
1590 1 6 . 1 1 4 4 ILE H H 85 7.940 7.940 7.996 -0.056 18084
1591 1 6 . 1 1 5 5 ARG N N 86 122.126 122.126 120.460 1.666 18084
1592 1 6 . 1 1 5 5 ARG HA H 86 4.223 4.223 4.115 0.108 18084
1593 1 6 . 1 1 5 5 ARG CA C 86 60.172 60.172 59.956 0.216 18084
1594 1 6 . 1 1 5 5 ARG CB C 86 29.624 29.624 30.163 -0.539 18084
1595 1 6 . 1 1 5 5 ARG H H 86 8.535 8.535 8.229 0.306 18084
1596 1 6 . 1 1 6 6 GLU N N 87 118.362 118.362 119.314 -0.952 18084
1597 1 6 . 1 1 6 6 GLU HA H 87 4.067 4.067 4.065 0.002 18084
1598 1 6 . 1 1 6 6 GLU CA C 87 59.261 59.261 59.317 -0.056 18084
1599 1 6 . 1 1 6 6 GLU CB C 87 29.515 29.515 29.566 -0.051 18084
1600 1 6 . 1 1 6 6 GLU H H 87 8.232 8.232 8.580 -0.348 18084
1601 1 6 . 1 1 7 7 ALA N N 88 121.569 121.569 122.341 -0.772 18084
1602 1 6 . 1 1 7 7 ALA HA H 88 4.205 4.205 3.610 0.595 18084
1603 1 6 . 1 1 7 7 ALA CA C 88 55.505 55.505 54.777 0.728 18084
1604 1 6 . 1 1 7 7 ALA CB C 88 17.919 17.919 17.854 0.065 18084
1605 1 6 . 1 1 7 7 ALA H H 88 8.011 8.011 8.010 0.001 18084
1606 1 6 . 1 1 8 8 PHE N N 89 119.066 119.066 119.531 -0.465 18084
1607 1 6 . 1 1 8 8 PHE HA H 89 3.295 3.295 3.473 -0.178 18084
1608 1 6 . 1 1 8 8 PHE CA C 89 62.428 62.428 61.033 1.395 18084
1609 1 6 . 1 1 8 8 PHE CB C 89 39.058 39.058 38.836 0.222 18084
1610 1 6 . 1 1 8 8 PHE H H 89 8.682 8.682 8.029 0.653 18084
1611 1 6 . 1 1 9 9 ARG N N 90 115.506 115.506 119.155 -3.649 18084
1612 1 6 . 1 1 9 9 ARG HA H 90 3.894 3.894 3.886 0.008 18084
1613 1 6 . 1 1 9 9 ARG CA C 90 58.779 58.779 58.675 0.104 18084
1614 1 6 . 1 1 9 9 ARG CB C 90 30.526 30.526 29.552 0.974 18084
1615 1 6 . 1 1 9 9 ARG H H 90 7.803 7.803 7.605 0.198 18084
1616 1 6 . 1 1 10 10 VAL N N 91 118.528 118.528 118.830 -0.302 18084
1617 1 6 . 1 1 10 10 VAL HA H 91 3.498 3.498 3.767 -0.269 18084
1618 1 6 . 1 1 10 10 VAL CA C 91 65.886 65.886 65.969 -0.083 18084
1619 1 6 . 1 1 10 10 VAL CB C 91 31.135 31.135 31.552 -0.417 18084
1620 1 6 . 1 1 10 10 VAL H H 91 7.457 7.457 7.913 -0.456 18084
1621 1 6 . 1 1 11 11 PHE N N 92 114.999 114.999 118.047 -3.048 18084
1622 1 6 . 1 1 11 11 PHE HA H 92 4.182 4.182 4.354 -0.172 18084
1623 1 6 . 1 1 11 11 PHE CA C 92 60.728 60.728 58.008 2.720 18084
1624 1 6 . 1 1 11 11 PHE CB C 92 41.596 41.596 38.601 2.995 18084
1625 1 6 . 1 1 11 11 PHE H H 92 7.119 7.119 7.923 -0.804 18084
1626 1 6 . 1 1 12 12 ASP N N 93 116.105 116.105 119.781 -3.676 18084
1627 1 6 . 1 1 12 12 ASP HA H 93 4.609 4.609 4.858 -0.249 18084
1628 1 6 . 1 1 12 12 ASP CA C 93 52.575 52.575 53.073 -0.498 18084
1629 1 6 . 1 1 12 12 ASP CB C 93 38.699 38.699 39.311 -0.612 18084
1630 1 6 . 1 1 12 12 ASP H H 93 7.966 7.966 8.058 -0.092 18084
1631 1 6 . 1 1 13 13 LYS N N 94 126.306 126.306 126.083 0.223 18084
1632 1 6 . 1 1 13 13 LYS HA H 94 3.956 3.956 4.205 -0.249 18084
1633 1 6 . 1 1 13 13 LYS CA C 94 59.124 59.124 58.108 1.016 18084
1634 1 6 . 1 1 13 13 LYS CB C 94 32.783 32.783 32.626 0.157 18084
1635 1 6 . 1 1 13 13 LYS H H 94 7.912 7.912 8.038 -0.126 18084
1636 1 6 . 1 1 14 14 ASP N N 95 114.408 114.408 118.186 -3.778 18084
1637 1 6 . 1 1 14 14 ASP HA H 95 4.574 4.574 4.496 0.078 18084
1638 1 6 . 1 1 14 14 ASP CA C 95 53.094 53.094 54.777 -1.683 18084
1639 1 6 . 1 1 14 14 ASP CB C 95 39.625 39.625 41.493 -1.868 18084
1640 1 6 . 1 1 14 14 ASP H H 95 8.210 8.210 8.275 -0.065 18084
1641 1 6 . 1 1 15 15 GLY N N 96 109.216 109.216 109.913 -0.697 18084
1642 1 6 . 1 1 15 15 GLY CA C 96 47.204 47.204 45.221 1.984 18084
1643 1 6 . 1 1 15 15 GLY H H 96 7.789 7.789 8.756 -0.967 18084
1644 1 6 . 1 1 16 16 ASN N N 97 119.756 119.756 118.227 1.529 18084
1645 1 6 . 1 1 16 16 ASN HA H 97 4.670 4.670 4.762 -0.092 18084
1646 1 6 . 1 1 16 16 ASN CA C 97 52.817 52.817 52.437 0.380 18084
1647 1 6 . 1 1 16 16 ASN CB C 97 38.260 38.260 39.572 -1.312 18084
1648 1 6 . 1 1 16 16 ASN H H 97 8.376 8.376 8.117 0.259 18084
1649 1 6 . 1 1 17 17 GLY N N 98 112.788 112.788 108.568 4.220 18084
1650 1 6 . 1 1 17 17 GLY CA C 98 45.075 45.075 45.636 -0.561 18084
1651 1 6 . 1 1 17 17 GLY H H 98 10.652 10.652 8.975 1.677 18084
1652 1 6 . 1 1 18 18 TYR N N 99 116.107 116.107 117.276 -1.169 18084
1653 1 6 . 1 1 18 18 TYR HA H 99 5.061 5.061 5.057 0.004 18084
1654 1 6 . 1 1 18 18 TYR CA C 99 56.262 56.262 56.521 -0.259 18084
1655 1 6 . 1 1 18 18 TYR CB C 99 43.007 43.007 41.544 1.463 18084
1656 1 6 . 1 1 18 18 TYR H H 99 7.674 7.674 8.259 -0.585 18084
1657 1 6 . 1 1 19 19 ILE N N 100 127.280 127.280 125.218 2.062 18084
1658 1 6 . 1 1 19 19 ILE HA H 100 4.720 4.720 4.043 0.677 18084
1659 1 6 . 1 1 19 19 ILE CA C 100 61.231 61.231 61.771 -0.540 18084
1660 1 6 . 1 1 19 19 ILE CB C 100 39.342 39.342 37.285 2.057 18084
1661 1 6 . 1 1 19 19 ILE H H 100 10.172 10.172 8.882 1.290 18084
1662 1 6 . 1 1 20 20 SER N N 101 123.721 123.721 123.384 0.337 18084
1663 1 6 . 1 1 20 20 SER HA H 101 4.959 4.959 4.650 0.309 18084
1664 1 6 . 1 1 20 20 SER CA C 101 55.629 55.629 56.655 -1.026 18084
1665 1 6 . 1 1 20 20 SER CB C 101 66.984 66.984 65.004 1.980 18084
1666 1 6 . 1 1 20 20 SER H H 101 8.978 8.978 8.818 0.160 18084
1667 1 6 . 1 1 21 21 ALA N N 102 123.086 123.086 125.994 -2.908 18084
1668 1 6 . 1 1 21 21 ALA HA H 102 3.920 3.920 4.047 -0.127 18084
1669 1 6 . 1 1 21 21 ALA CA C 102 55.987 55.987 55.202 0.785 18084
1670 1 6 . 1 1 21 21 ALA CB C 102 18.036 18.036 18.536 -0.500 18084
1671 1 6 . 1 1 21 21 ALA H H 102 9.212 9.212 9.097 0.115 18084
1672 1 6 . 1 1 22 22 ALA N N 103 118.515 118.515 120.534 -2.019 18084
1673 1 6 . 1 1 22 22 ALA HA H 103 4.066 4.066 4.172 -0.106 18084
1674 1 6 . 1 1 22 22 ALA CA C 103 55.277 55.277 54.487 0.790 18084
1675 1 6 . 1 1 22 22 ALA CB C 103 18.403 18.403 18.262 0.140 18084
1676 1 6 . 1 1 22 22 ALA H H 103 8.234 8.234 7.698 0.536 18084
1677 1 6 . 1 1 23 23 GLU N N 104 120.368 120.368 117.498 2.870 18084
1678 1 6 . 1 1 23 23 GLU HA H 104 4.052 4.052 4.114 -0.062 18084
1679 1 6 . 1 1 23 23 GLU CA C 104 59.617 59.617 58.399 1.218 18084
1680 1 6 . 1 1 23 23 GLU CB C 104 29.263 29.263 29.523 -0.260 18084
1681 1 6 . 1 1 23 23 GLU H H 104 7.863 7.863 8.089 -0.226 18084
1682 1 6 . 1 1 24 24 LEU N N 105 121.416 121.416 121.271 0.145 18084
1683 1 6 . 1 1 24 24 LEU HA H 105 4.187 4.187 4.078 0.109 18084
1684 1 6 . 1 1 24 24 LEU CA C 105 58.561 58.561 57.120 1.441 18084
1685 1 6 . 1 1 24 24 LEU CB C 105 42.122 42.122 42.202 -0.080 18084
1686 1 6 . 1 1 24 24 LEU H H 105 8.502 8.502 8.757 -0.255 18084
1687 1 6 . 1 1 25 25 ARG N N 106 118.344 118.344 116.771 1.573 18084
1688 1 6 . 1 1 25 25 ARG HA H 106 3.710 3.710 4.118 -0.408 18084
1689 1 6 . 1 1 25 25 ARG CA C 106 60.063 60.063 57.663 2.400 18084
1690 1 6 . 1 1 25 25 ARG CB C 106 30.399 30.399 29.930 0.469 18084
1691 1 6 . 1 1 25 25 ARG H H 106 8.691 8.691 7.732 0.959 18084
1692 1 6 . 1 1 26 26 HIS N N 107 119.487 119.487 117.529 1.958 18084
1693 1 6 . 1 1 26 26 HIS HA H 107 4.307 4.307 4.834 -0.527 18084
1694 1 6 . 1 1 26 26 HIS CA C 107 60.105 60.105 55.857 4.248 18084
1695 1 6 . 1 1 26 26 HIS CB C 107 30.761 30.761 31.210 -0.449 18084
1696 1 6 . 1 1 26 26 HIS H H 107 7.960 7.960 7.798 0.162 18084
1697 1 6 . 1 1 27 27 VAL N N 108 119.546 119.546 120.220 -0.674 18084
1698 1 6 . 1 1 27 27 VAL HA H 108 3.513 3.513 3.804 -0.291 18084
1699 1 6 . 1 1 27 27 VAL CA C 108 66.746 66.746 64.306 2.440 18084
1700 1 6 . 1 1 27 27 VAL CB C 108 31.783 31.783 32.718 -0.934 18084
1701 1 6 . 1 1 27 27 VAL H H 108 7.896 7.896 7.642 0.254 18084
1702 1 6 . 1 1 28 28 MET N N 109 115.613 115.613 118.664 -3.051 18084
1703 1 6 . 1 1 28 28 MET HA H 109 4.359 4.359 4.128 0.231 18084
1704 1 6 . 1 1 28 28 MET CA C 109 57.020 57.020 57.831 -0.811 18084
1705 1 6 . 1 1 28 28 MET CB C 109 29.108 29.108 31.828 -2.720 18084
1706 1 6 . 1 1 28 28 MET H H 109 8.348 8.348 7.588 0.760 18084
1707 1 6 . 1 1 29 29 THR N N 110 116.414 116.414 111.750 4.664 18084
1708 1 6 . 1 1 29 29 THR HA H 110 4.115 4.115 4.074 0.041 18084
1709 1 6 . 1 1 29 29 THR CA C 110 66.511 66.511 65.018 1.493 18084
1710 1 6 . 1 1 29 29 THR CB C 110 68.667 68.667 68.154 0.513 18084
1711 1 6 . 1 1 29 29 THR H H 110 8.318 8.318 7.880 0.438 18084
1712 1 6 . 1 1 30 30 ASN N N 111 123.002 123.002 120.122 2.880 18084
1713 1 6 . 1 1 30 30 ASN HA H 111 4.476 4.476 4.449 0.026 18084
1714 1 6 . 1 1 30 30 ASN CA C 111 55.892 55.892 54.847 1.044 18084
1715 1 6 . 1 1 30 30 ASN CB C 111 38.279 38.279 37.950 0.329 18084
1716 1 6 . 1 1 30 30 ASN H H 111 7.792 7.792 7.951 -0.159 18084
1717 1 6 . 1 1 31 31 LEU N N 112 119.010 119.010 118.974 0.036 18084
1718 1 6 . 1 1 31 31 LEU HA H 112 4.331 4.331 4.134 0.197 18084
1719 1 6 . 1 1 31 31 LEU CA C 112 55.619 55.619 56.064 -0.445 18084
1720 1 6 . 1 1 31 31 LEU CB C 112 42.190 42.190 42.364 -0.174 18084
1721 1 6 . 1 1 31 31 LEU H H 112 7.788 7.788 7.541 0.247 18084
1722 1 6 . 1 1 32 32 GLY N N 113 106.844 106.844 104.605 2.239 18084
1723 1 6 . 1 1 32 32 GLY CA C 113 45.330 45.330 44.910 0.420 18084
1724 1 6 . 1 1 32 32 GLY H H 113 7.816 7.816 7.563 0.253 18084
1725 1 6 . 1 1 33 33 GLU N N 114 120.325 120.325 124.419 -4.094 18084
1726 1 6 . 1 1 33 33 GLU HA H 114 4.454 4.454 4.201 0.253 18084
1727 1 6 . 1 1 33 33 GLU CA C 114 55.014 55.014 56.135 -1.121 18084
1728 1 6 . 1 1 33 33 GLU CB C 114 30.494 30.494 28.863 1.631 18084
1729 1 6 . 1 1 33 33 GLU H H 114 7.888 7.888 8.353 -0.465 18084
1730 1 6 . 1 1 34 34 LYS N N 115 125.103 125.103 125.995 -0.892 18084
1731 1 6 . 1 1 34 34 LYS HA H 115 4.401 4.401 4.364 0.037 18084
1732 1 6 . 1 1 34 34 LYS CA C 115 55.500 55.500 55.974 -0.474 18084
1733 1 6 . 1 1 34 34 LYS CB C 115 31.970 31.970 31.573 0.397 18084
1734 1 6 . 1 1 34 34 LYS H H 115 8.576 8.576 8.285 0.291 18084
1735 1 6 . 1 1 35 35 LEU N N 116 124.861 124.861 125.073 -0.212 18084
1736 1 6 . 1 1 35 35 LEU HA H 116 4.759 4.759 4.662 0.097 18084
1737 1 6 . 1 1 35 35 LEU CA C 116 54.130 54.130 53.712 0.418 18084
1738 1 6 . 1 1 35 35 LEU CB C 116 44.629 44.629 43.406 1.224 18084
1739 1 6 . 1 1 35 35 LEU H H 116 8.002 8.002 7.801 0.201 18084
1740 1 6 . 1 1 36 36 THR N N 117 114.594 114.594 112.712 1.882 18084
1741 1 6 . 1 1 36 36 THR HA H 117 4.601 4.601 4.481 0.120 18084
1742 1 6 . 1 1 36 36 THR CA C 117 60.777 60.777 60.554 0.223 18084
1743 1 6 . 1 1 36 36 THR CB C 117 71.180 71.180 70.808 0.371 18084
1744 1 6 . 1 1 36 36 THR H H 117 9.238 9.238 9.473 -0.234 18084
1745 1 6 . 1 1 37 37 ASP N N 118 121.017 121.017 120.769 0.248 18084
1746 1 6 . 1 1 37 37 ASP HA H 118 4.216 4.216 4.281 -0.065 18084
1747 1 6 . 1 1 37 37 ASP CA C 118 58.138 58.138 58.595 -0.457 18084
1748 1 6 . 1 1 37 37 ASP CB C 118 39.658 39.658 40.925 -1.267 18084
1749 1 6 . 1 1 37 37 ASP H H 118 8.854 8.854 8.783 0.071 18084
1750 1 6 . 1 1 38 38 GLU N N 119 119.262 119.262 118.147 1.115 18084
1751 1 6 . 1 1 38 38 GLU HA H 119 4.113 4.113 4.083 0.030 18084
1752 1 6 . 1 1 38 38 GLU CA C 119 59.919 59.919 59.605 0.314 18084
1753 1 6 . 1 1 38 38 GLU CB C 119 29.132 29.132 29.405 -0.273 18084
1754 1 6 . 1 1 38 38 GLU H H 119 8.629 8.629 8.771 -0.142 18084
1755 1 6 . 1 1 39 39 GLU N N 120 118.567 118.567 119.881 -1.314 18084
1756 1 6 . 1 1 39 39 GLU HA H 120 4.074 4.074 4.083 -0.009 18084
1757 1 6 . 1 1 39 39 GLU CA C 120 59.391 59.391 59.281 0.110 18084
1758 1 6 . 1 1 39 39 GLU CB C 120 30.211 30.211 29.682 0.529 18084
1759 1 6 . 1 1 39 39 GLU H H 120 8.097 8.097 7.559 0.538 18084
1760 1 6 . 1 1 40 40 VAL N N 121 120.686 120.686 119.855 0.831 18084
1761 1 6 . 1 1 40 40 VAL HA H 121 3.465 3.465 3.644 -0.179 18084
1762 1 6 . 1 1 40 40 VAL CA C 121 66.809 66.809 66.913 -0.104 18084
1763 1 6 . 1 1 40 40 VAL CB C 121 31.587 31.587 31.606 -0.019 18084
1764 1 6 . 1 1 40 40 VAL H H 121 7.969 7.969 8.380 -0.411 18084
1765 1 6 . 1 1 41 41 ASP N N 122 119.330 119.330 119.880 -0.550 18084
1766 1 6 . 1 1 41 41 ASP HA H 122 4.348 4.348 4.300 0.048 18084
1767 1 6 . 1 1 41 41 ASP CA C 122 57.868 57.868 57.899 -0.031 18084
1768 1 6 . 1 1 41 41 ASP CB C 122 40.541 40.541 41.014 -0.473 18084
1769 1 6 . 1 1 41 41 ASP H H 122 7.972 7.972 8.178 -0.206 18084
1770 1 6 . 1 1 42 42 GLU N N 123 119.682 119.682 119.519 0.163 18084
1771 1 6 . 1 1 42 42 GLU HA H 123 3.975 3.975 3.985 -0.010 18084
1772 1 6 . 1 1 42 42 GLU CA C 123 59.521 59.521 59.116 0.405 18084
1773 1 6 . 1 1 42 42 GLU CB C 123 29.566 29.566 29.636 -0.070 18084
1774 1 6 . 1 1 42 42 GLU H H 123 8.016 8.016 8.009 0.007 18084
1775 1 6 . 1 1 43 43 MET N N 124 119.466 119.466 119.049 0.417 18084
1776 1 6 . 1 1 43 43 MET HA H 124 4.123 4.123 4.116 0.007 18084
1777 1 6 . 1 1 43 43 MET CA C 124 60.111 60.111 59.443 0.668 18084
1778 1 6 . 1 1 43 43 MET CB C 124 33.358 33.358 32.790 0.568 18084
1779 1 6 . 1 1 43 43 MET H H 124 7.825 7.825 7.824 0.001 18084
1780 1 6 . 1 1 44 44 ILE N N 125 119.195 119.195 118.444 0.751 18084
1781 1 6 . 1 1 44 44 ILE HA H 125 3.821 3.821 3.927 -0.106 18084
1782 1 6 . 1 1 44 44 ILE CA C 125 63.732 63.732 61.681 2.051 18084
1783 1 6 . 1 1 44 44 ILE CB C 125 36.277 36.277 37.012 -0.735 18084
1784 1 6 . 1 1 44 44 ILE H H 125 7.952 7.952 8.055 -0.103 18084
1785 1 6 . 1 1 45 45 ARG N N 126 118.673 118.673 120.062 -1.389 18084
1786 1 6 . 1 1 45 45 ARG HA H 126 4.063 4.063 4.015 0.048 18084
1787 1 6 . 1 1 45 45 ARG CA C 126 59.825 59.825 59.646 0.179 18084
1788 1 6 . 1 1 45 45 ARG CB C 126 30.427 30.427 30.233 0.194 18084
1789 1 6 . 1 1 45 45 ARG H H 126 8.492 8.492 8.055 0.437 18084
1790 1 6 . 1 1 46 46 GLU N N 127 116.432 116.432 116.620 -0.188 18084
1791 1 6 . 1 1 46 46 GLU HA H 127 4.036 4.036 4.261 -0.225 18084
1792 1 6 . 1 1 46 46 GLU CA C 127 58.676 58.676 57.643 1.033 18084
1793 1 6 . 1 1 46 46 GLU CB C 127 29.842 29.842 30.230 -0.388 18084
1794 1 6 . 1 1 46 46 GLU H H 127 7.944 7.944 7.631 0.313 18084
1795 1 6 . 1 1 47 47 ALA N N 128 118.021 118.021 119.944 -1.923 18084
1796 1 6 . 1 1 47 47 ALA HA H 128 4.466 4.466 4.335 0.131 18084
1797 1 6 . 1 1 47 47 ALA CA C 128 51.798 51.798 52.691 -0.893 18084
1798 1 6 . 1 1 47 47 ALA CB C 128 22.115 22.115 20.021 2.094 18084
1799 1 6 . 1 1 47 47 ALA H H 128 7.195 7.195 7.196 -0.001 18084
1800 1 6 . 1 1 48 48 ASP N N 129 117.984 117.984 119.618 -1.634 18084
1801 1 6 . 1 1 48 48 ASP HA H 129 4.494 4.494 4.779 -0.285 18084
1802 1 6 . 1 1 48 48 ASP CA C 129 54.472 54.472 54.642 -0.169 18084
1803 1 6 . 1 1 48 48 ASP CB C 129 40.753 40.753 40.593 0.160 18084
1804 1 6 . 1 1 48 48 ASP H H 129 8.024 8.024 8.221 -0.197 18084
1805 1 6 . 1 1 49 49 ILE N N 130 127.861 127.861 125.075 2.786 18084
1806 1 6 . 1 1 49 49 ILE HA H 130 3.918 3.918 4.115 -0.197 18084
1807 1 6 . 1 1 49 49 ILE CA C 130 63.240 63.240 62.025 1.215 18084
1808 1 6 . 1 1 49 49 ILE CB C 130 38.809 38.809 38.558 0.251 18084
1809 1 6 . 1 1 49 49 ILE H H 130 8.302 8.302 9.230 -0.928 18084
1810 1 6 . 1 1 50 50 ASP N N 131 116.838 116.838 120.391 -3.553 18084
1811 1 6 . 1 1 50 50 ASP HA H 131 4.541 4.541 4.509 0.032 18084
1812 1 6 . 1 1 50 50 ASP CA C 131 54.045 54.045 54.692 -0.647 18084
1813 1 6 . 1 1 50 50 ASP CB C 131 39.947 39.947 40.911 -0.964 18084
1814 1 6 . 1 1 50 50 ASP H H 131 8.350 8.350 8.576 -0.226 18084
1815 1 6 . 1 1 51 51 GLY N N 132 108.737 108.737 108.060 0.677 18084
1816 1 6 . 1 1 51 51 GLY CA C 132 47.528 47.528 45.380 2.148 18084
1817 1 6 . 1 1 51 51 GLY H H 132 7.634 7.634 8.352 -0.718 18084
1818 1 6 . 1 1 52 52 ASP N N 133 120.912 120.912 120.299 0.613 18084
1819 1 6 . 1 1 52 52 ASP HA H 133 4.486 4.486 4.545 -0.059 18084
1820 1 6 . 1 1 52 52 ASP CA C 133 53.799 53.799 53.973 -0.174 18084
1821 1 6 . 1 1 52 52 ASP CB C 133 40.223 40.223 41.721 -1.498 18084
1822 1 6 . 1 1 52 52 ASP H H 133 8.390 8.390 8.541 -0.151 18084
1823 1 6 . 1 1 53 53 GLY N N 134 112.792 112.792 109.955 2.837 18084
1824 1 6 . 1 1 53 53 GLY CA C 134 45.957 45.957 45.060 0.897 18084
1825 1 6 . 1 1 53 53 GLY H H 134 10.276 10.276 9.104 1.172 18084
1826 1 6 . 1 1 54 54 GLN N N 135 115.190 115.190 117.925 -2.735 18084
1827 1 6 . 1 1 54 54 GLN HA H 135 4.960 4.960 4.860 0.100 18084
1828 1 6 . 1 1 54 54 GLN CA C 135 53.311 53.311 53.793 -0.482 18084
1829 1 6 . 1 1 54 54 GLN CB C 135 32.662 32.662 33.274 -0.612 18084
1830 1 6 . 1 1 54 54 GLN H H 135 7.993 7.993 8.037 -0.044 18084
1831 1 6 . 1 1 55 55 VAL N N 136 125.623 125.623 121.231 4.392 18084
1832 1 6 . 1 1 55 55 VAL HA H 136 5.230 5.230 4.506 0.724 18084
1833 1 6 . 1 1 55 55 VAL CA C 136 61.782 61.782 61.644 0.138 18084
1834 1 6 . 1 1 55 55 VAL CB C 136 33.899 33.899 31.200 2.699 18084
1835 1 6 . 1 1 55 55 VAL H H 136 9.081 9.081 8.677 0.404 18084
1836 1 6 . 1 1 56 56 ASN N N 137 129.390 129.390 125.650 3.740 18084
1837 1 6 . 1 1 56 56 ASN HA H 137 5.331 5.331 5.193 0.138 18084
1838 1 6 . 1 1 56 56 ASN CA C 137 51.131 51.131 51.242 -0.112 18084
1839 1 6 . 1 1 56 56 ASN CB C 137 38.423 38.423 40.138 -1.715 18084
1840 1 6 . 1 1 56 56 ASN H H 137 9.602 9.602 8.246 1.356 18084
1841 1 6 . 1 1 57 57 TYR N N 138 118.471 118.471 121.131 -2.660 18084
1842 1 6 . 1 1 57 57 TYR HA H 138 3.400 3.400 3.146 0.254 18084
1843 1 6 . 1 1 57 57 TYR CA C 138 62.542 62.542 63.652 -1.110 18084
1844 1 6 . 1 1 57 57 TYR CB C 138 37.957 37.957 38.359 -0.402 18084
1845 1 6 . 1 1 57 57 TYR H H 138 8.361 8.361 8.916 -0.555 18084
1846 1 6 . 1 1 58 58 GLU N N 139 118.571 118.571 117.984 0.587 18084
1847 1 6 . 1 1 58 58 GLU HA H 139 3.634 3.634 3.915 -0.281 18084
1848 1 6 . 1 1 58 58 GLU CA C 139 60.285 60.285 60.373 -0.088 18084
1849 1 6 . 1 1 58 58 GLU CB C 139 28.798 28.798 28.894 -0.096 18084
1850 1 6 . 1 1 58 58 GLU H H 139 8.061 8.061 8.496 -0.435 18084
1851 1 6 . 1 1 59 59 GLU N N 140 119.901 119.901 120.384 -0.483 18084
1852 1 6 . 1 1 59 59 GLU HA H 140 3.882 3.882 4.047 -0.165 18084
1853 1 6 . 1 1 59 59 GLU CA C 140 58.783 58.783 59.219 -0.436 18084
1854 1 6 . 1 1 59 59 GLU CB C 140 29.693 29.693 29.660 0.033 18084
1855 1 6 . 1 1 59 59 GLU H H 140 8.699 8.699 8.786 -0.087 18084
1856 1 6 . 1 1 60 60 PHE N N 141 123.530 123.530 121.443 2.087 18084
1857 1 6 . 1 1 60 60 PHE HA H 141 3.555 3.555 4.173 -0.618 18084
1858 1 6 . 1 1 60 60 PHE CA C 141 61.934 61.934 61.906 0.028 18084
1859 1 6 . 1 1 60 60 PHE CB C 141 40.046 40.046 39.094 0.952 18084
1860 1 6 . 1 1 60 60 PHE H H 141 8.604 8.604 8.682 -0.078 18084
1861 1 6 . 1 1 61 61 VAL N N 142 119.574 119.574 119.515 0.059 18084
1862 1 6 . 1 1 61 61 VAL HA H 142 3.039 3.039 3.433 -0.394 18084
1863 1 6 . 1 1 61 61 VAL CA C 142 67.003 67.003 66.504 0.499 18084
1864 1 6 . 1 1 61 61 VAL CB C 142 31.519 31.519 31.552 -0.033 18084
1865 1 6 . 1 1 61 61 VAL H H 142 8.728 8.728 8.395 0.333 18084
1866 1 6 . 1 1 62 62 GLN N N 143 118.463 118.463 119.452 -0.989 18084
1867 1 6 . 1 1 62 62 GLN HA H 143 3.836 3.836 3.901 -0.065 18084
1868 1 6 . 1 1 62 62 GLN CA C 143 58.888 58.888 58.951 -0.063 18084
1869 1 6 . 1 1 62 62 GLN CB C 143 28.024 28.024 28.887 -0.863 18084
1870 1 6 . 1 1 62 62 GLN H H 143 7.528 7.528 8.356 -0.828 18084
1871 1 6 . 1 1 63 63 MET N N 144 117.042 117.042 118.150 -1.108 18084
1872 1 6 . 1 1 63 63 MET HA H 144 4.188 4.188 4.104 0.084 18084
1873 1 6 . 1 1 63 63 MET CA C 144 56.830 56.830 58.352 -1.522 18084
1874 1 6 . 1 1 63 63 MET CB C 144 31.919 31.919 32.688 -0.769 18084
1875 1 6 . 1 1 63 63 MET H H 144 7.299 7.299 8.058 -0.759 18084
1876 1 6 . 1 1 64 64 MET N N 145 115.614 115.614 117.329 -1.715 18084
1877 1 6 . 1 1 64 64 MET HA H 145 4.297 4.297 4.189 0.108 18084
1878 1 6 . 1 1 64 64 MET CA C 145 55.443 55.443 58.499 -3.056 18084
1879 1 6 . 1 1 64 64 MET CB C 145 33.556 33.556 33.151 0.405 18084
1880 1 6 . 1 1 64 64 MET H H 145 7.727 7.727 7.638 0.089 18084
1881 1 6 . 1 1 65 65 THR N N 146 110.331 110.331 116.104 -5.773 18084
1882 1 6 . 1 1 65 65 THR HA H 146 4.283 4.283 4.257 0.026 18084
1883 1 6 . 1 1 65 65 THR CA C 146 62.323 62.323 61.725 0.598 18084
1884 1 6 . 1 1 65 65 THR CB C 146 70.214 70.214 66.884 3.330 18084
1885 1 6 . 1 1 65 65 THR H H 146 7.591 7.591 7.877 -0.286 18084
1886 1 6 . 1 1 66 66 ALA N N 147 126.381 126.381 124.242 2.139 18084
1887 1 6 . 1 1 66 66 ALA HA H 147 4.319 4.319 4.202 0.117 18084
1888 1 6 . 1 1 66 66 ALA CA C 147 52.896 52.896 52.639 0.257 18084
1889 1 6 . 1 1 66 66 ALA CB C 147 19.066 19.066 19.891 -0.825 18084
1890 1 6 . 1 1 66 66 ALA H H 147 7.564 7.564 7.445 0.119 18084
1891 1 7 . 1 1 2 2 GLU N N 83 119.694 119.694 122.387 -2.693 18084
1892 1 7 . 1 1 2 2 GLU HA H 83 4.059 4.059 3.983 0.076 18084
1893 1 7 . 1 1 2 2 GLU CA C 83 59.784 59.784 59.742 0.042 18084
1894 1 7 . 1 1 2 2 GLU CB C 83 29.191 29.191 29.202 -0.011 18084
1895 1 7 . 1 1 2 2 GLU H H 83 8.307 8.307 8.817 -0.510 18084
1896 1 7 . 1 1 3 3 GLU N N 84 120.715 120.715 117.987 2.728 18084
1897 1 7 . 1 1 3 3 GLU HA H 84 4.064 4.064 4.060 0.004 18084
1898 1 7 . 1 1 3 3 GLU CA C 84 59.505 59.505 59.522 -0.017 18084
1899 1 7 . 1 1 3 3 GLU CB C 84 30.028 30.028 29.116 0.912 18084
1900 1 7 . 1 1 3 3 GLU H H 84 7.675 7.675 8.749 -1.074 18084
1901 1 7 . 1 1 4 4 ILE N N 85 121.349 121.349 118.965 2.384 18084
1902 1 7 . 1 1 4 4 ILE HA H 85 3.866 3.866 3.839 0.027 18084
1903 1 7 . 1 1 4 4 ILE CA C 85 65.483 65.483 64.597 0.886 18084
1904 1 7 . 1 1 4 4 ILE CB C 85 37.465 37.465 37.561 -0.096 18084
1905 1 7 . 1 1 4 4 ILE H H 85 7.940 7.940 7.642 0.298 18084
1906 1 7 . 1 1 5 5 ARG N N 86 122.126 122.126 120.254 1.872 18084
1907 1 7 . 1 1 5 5 ARG HA H 86 4.223 4.223 4.139 0.084 18084
1908 1 7 . 1 1 5 5 ARG CA C 86 60.172 60.172 59.947 0.225 18084
1909 1 7 . 1 1 5 5 ARG CB C 86 29.624 29.624 30.088 -0.464 18084
1910 1 7 . 1 1 5 5 ARG H H 86 8.535 8.535 8.461 0.074 18084
1911 1 7 . 1 1 6 6 GLU N N 87 118.362 118.362 119.026 -0.664 18084
1912 1 7 . 1 1 6 6 GLU HA H 87 4.067 4.067 4.161 -0.094 18084
1913 1 7 . 1 1 6 6 GLU CA C 87 59.261 59.261 58.881 0.380 18084
1914 1 7 . 1 1 6 6 GLU CB C 87 29.515 29.515 29.814 -0.298 18084
1915 1 7 . 1 1 6 6 GLU H H 87 8.232 8.232 7.956 0.276 18084
1916 1 7 . 1 1 7 7 ALA N N 88 121.569 121.569 122.792 -1.223 18084
1917 1 7 . 1 1 7 7 ALA HA H 88 4.205 4.205 3.656 0.549 18084
1918 1 7 . 1 1 7 7 ALA CA C 88 55.505 55.505 55.031 0.474 18084
1919 1 7 . 1 1 7 7 ALA CB C 88 17.919 17.919 17.982 -0.063 18084
1920 1 7 . 1 1 7 7 ALA H H 88 8.011 8.011 8.280 -0.269 18084
1921 1 7 . 1 1 8 8 PHE N N 89 119.066 119.066 119.571 -0.505 18084
1922 1 7 . 1 1 8 8 PHE HA H 89 3.295 3.295 3.743 -0.448 18084
1923 1 7 . 1 1 8 8 PHE CA C 89 62.428 62.428 61.220 1.208 18084
1924 1 7 . 1 1 8 8 PHE CB C 89 39.058 39.058 39.108 -0.050 18084
1925 1 7 . 1 1 8 8 PHE H H 89 8.682 8.682 8.105 0.577 18084
1926 1 7 . 1 1 9 9 ARG N N 90 115.506 115.506 118.340 -2.834 18084
1927 1 7 . 1 1 9 9 ARG HA H 90 3.894 3.894 3.987 -0.093 18084
1928 1 7 . 1 1 9 9 ARG CA C 90 58.779 58.779 58.057 0.722 18084
1929 1 7 . 1 1 9 9 ARG CB C 90 30.526 30.526 29.465 1.060 18084
1930 1 7 . 1 1 9 9 ARG H H 90 7.803 7.803 7.423 0.380 18084
1931 1 7 . 1 1 10 10 VAL N N 91 118.528 118.528 118.123 0.405 18084
1932 1 7 . 1 1 10 10 VAL HA H 91 3.498 3.498 3.837 -0.339 18084
1933 1 7 . 1 1 10 10 VAL CA C 91 65.886 65.886 65.398 0.488 18084
1934 1 7 . 1 1 10 10 VAL CB C 91 31.135 31.135 31.777 -0.642 18084
1935 1 7 . 1 1 10 10 VAL H H 91 7.457 7.457 7.435 0.022 18084
1936 1 7 . 1 1 11 11 PHE N N 92 114.999 114.999 115.656 -0.657 18084
1937 1 7 . 1 1 11 11 PHE HA H 92 4.182 4.182 4.300 -0.118 18084
1938 1 7 . 1 1 11 11 PHE CA C 92 60.728 60.728 57.645 3.083 18084
1939 1 7 . 1 1 11 11 PHE CB C 92 41.596 41.596 38.605 2.991 18084
1940 1 7 . 1 1 11 11 PHE H H 92 7.119 7.119 7.801 -0.682 18084
1941 1 7 . 1 1 12 12 ASP N N 93 116.105 116.105 119.519 -3.414 18084
1942 1 7 . 1 1 12 12 ASP HA H 93 4.609 4.609 4.819 -0.210 18084
1943 1 7 . 1 1 12 12 ASP CA C 93 52.575 52.575 53.214 -0.639 18084
1944 1 7 . 1 1 12 12 ASP CB C 93 38.699 38.699 39.831 -1.132 18084
1945 1 7 . 1 1 12 12 ASP H H 93 7.966 7.966 7.617 0.349 18084
1946 1 7 . 1 1 13 13 LYS N N 94 126.306 126.306 125.846 0.460 18084
1947 1 7 . 1 1 13 13 LYS HA H 94 3.956 3.956 4.185 -0.229 18084
1948 1 7 . 1 1 13 13 LYS CA C 94 59.124 59.124 58.368 0.756 18084
1949 1 7 . 1 1 13 13 LYS CB C 94 32.783 32.783 32.796 -0.013 18084
1950 1 7 . 1 1 13 13 LYS H H 94 7.912 7.912 8.264 -0.352 18084
1951 1 7 . 1 1 14 14 ASP N N 95 114.408 114.408 118.022 -3.614 18084
1952 1 7 . 1 1 14 14 ASP HA H 95 4.574 4.574 4.431 0.143 18084
1953 1 7 . 1 1 14 14 ASP CA C 95 53.094 53.094 55.116 -2.022 18084
1954 1 7 . 1 1 14 14 ASP CB C 95 39.625 39.625 41.302 -1.677 18084
1955 1 7 . 1 1 14 14 ASP H H 95 8.210 8.210 8.084 0.126 18084
1956 1 7 . 1 1 15 15 GLY N N 96 109.216 109.216 109.227 -0.011 18084
1957 1 7 . 1 1 15 15 GLY CA C 96 47.204 47.204 45.168 2.036 18084
1958 1 7 . 1 1 15 15 GLY H H 96 7.789 7.789 8.694 -0.905 18084
1959 1 7 . 1 1 16 16 ASN N N 97 119.756 119.756 119.157 0.599 18084
1960 1 7 . 1 1 16 16 ASN HA H 97 4.670 4.670 4.716 -0.046 18084
1961 1 7 . 1 1 16 16 ASN CA C 97 52.817 52.817 52.372 0.445 18084
1962 1 7 . 1 1 16 16 ASN CB C 97 38.260 38.260 39.030 -0.770 18084
1963 1 7 . 1 1 16 16 ASN H H 97 8.376 8.376 8.362 0.014 18084
1964 1 7 . 1 1 17 17 GLY N N 98 112.788 112.788 108.517 4.271 18084
1965 1 7 . 1 1 17 17 GLY CA C 98 45.075 45.075 45.369 -0.294 18084
1966 1 7 . 1 1 17 17 GLY H H 98 10.652 10.652 8.965 1.687 18084
1967 1 7 . 1 1 18 18 TYR N N 99 116.107 116.107 116.688 -0.581 18084
1968 1 7 . 1 1 18 18 TYR HA H 99 5.061 5.061 4.917 0.144 18084
1969 1 7 . 1 1 18 18 TYR CA C 99 56.262 56.262 56.538 -0.276 18084
1970 1 7 . 1 1 18 18 TYR CB C 99 43.007 43.007 42.085 0.922 18084
1971 1 7 . 1 1 18 18 TYR H H 99 7.674 7.674 7.905 -0.231 18084
1972 1 7 . 1 1 19 19 ILE N N 100 127.280 127.280 124.106 3.174 18084
1973 1 7 . 1 1 19 19 ILE HA H 100 4.720 4.720 4.146 0.574 18084
1974 1 7 . 1 1 19 19 ILE CA C 100 61.231 61.231 61.038 0.193 18084
1975 1 7 . 1 1 19 19 ILE CB C 100 39.342 39.342 37.785 1.557 18084
1976 1 7 . 1 1 19 19 ILE H H 100 10.172 10.172 8.324 1.848 18084
1977 1 7 . 1 1 20 20 SER N N 101 123.721 123.721 123.139 0.582 18084
1978 1 7 . 1 1 20 20 SER HA H 101 4.959 4.959 4.569 0.390 18084
1979 1 7 . 1 1 20 20 SER CA C 101 55.629 55.629 56.496 -0.867 18084
1980 1 7 . 1 1 20 20 SER CB C 101 66.984 66.984 65.116 1.868 18084
1981 1 7 . 1 1 20 20 SER H H 101 8.978 8.978 8.595 0.383 18084
1982 1 7 . 1 1 21 21 ALA N N 102 123.086 123.086 127.354 -4.268 18084
1983 1 7 . 1 1 21 21 ALA HA H 102 3.920 3.920 4.022 -0.102 18084
1984 1 7 . 1 1 21 21 ALA CA C 102 55.987 55.987 55.447 0.540 18084
1985 1 7 . 1 1 21 21 ALA CB C 102 18.036 18.036 18.582 -0.546 18084
1986 1 7 . 1 1 21 21 ALA H H 102 9.212 9.212 8.855 0.357 18084
1987 1 7 . 1 1 22 22 ALA N N 103 118.515 118.515 120.581 -2.066 18084
1988 1 7 . 1 1 22 22 ALA HA H 103 4.066 4.066 3.925 0.141 18084
1989 1 7 . 1 1 22 22 ALA CA C 103 55.277 55.277 55.100 0.177 18084
1990 1 7 . 1 1 22 22 ALA CB C 103 18.403 18.403 18.340 0.063 18084
1991 1 7 . 1 1 22 22 ALA H H 103 8.234 8.234 7.730 0.504 18084
1992 1 7 . 1 1 23 23 GLU N N 104 120.368 120.368 118.266 2.102 18084
1993 1 7 . 1 1 23 23 GLU HA H 104 4.052 4.052 4.005 0.048 18084
1994 1 7 . 1 1 23 23 GLU CA C 104 59.617 59.617 58.917 0.700 18084
1995 1 7 . 1 1 23 23 GLU CB C 104 29.263 29.263 29.266 -0.003 18084
1996 1 7 . 1 1 23 23 GLU H H 104 7.863 7.863 7.870 -0.007 18084
1997 1 7 . 1 1 24 24 LEU N N 105 121.416 121.416 121.110 0.306 18084
1998 1 7 . 1 1 24 24 LEU HA H 105 4.187 4.187 4.002 0.185 18084
1999 1 7 . 1 1 24 24 LEU CA C 105 58.561 58.561 57.399 1.162 18084
2000 1 7 . 1 1 24 24 LEU CB C 105 42.122 42.122 41.779 0.343 18084
2001 1 7 . 1 1 24 24 LEU H H 105 8.502 8.502 8.466 0.036 18084
2002 1 7 . 1 1 25 25 ARG N N 106 118.344 118.344 118.326 0.018 18084
2003 1 7 . 1 1 25 25 ARG HA H 106 3.710 3.710 3.890 -0.180 18084
2004 1 7 . 1 1 25 25 ARG CA C 106 60.063 60.063 60.240 -0.177 18084
2005 1 7 . 1 1 25 25 ARG CB C 106 30.399 30.399 29.956 0.444 18084
2006 1 7 . 1 1 25 25 ARG H H 106 8.691 8.691 7.970 0.721 18084
2007 1 7 . 1 1 26 26 HIS N N 107 119.487 119.487 117.117 2.370 18084
2008 1 7 . 1 1 26 26 HIS HA H 107 4.307 4.307 4.588 -0.281 18084
2009 1 7 . 1 1 26 26 HIS CA C 107 60.105 60.105 57.721 2.384 18084
2010 1 7 . 1 1 26 26 HIS CB C 107 30.761 30.761 29.736 1.025 18084
2011 1 7 . 1 1 26 26 HIS H H 107 7.960 7.960 7.689 0.271 18084
2012 1 7 . 1 1 27 27 VAL N N 108 119.546 119.546 119.841 -0.295 18084
2013 1 7 . 1 1 27 27 VAL HA H 108 3.513 3.513 3.675 -0.162 18084
2014 1 7 . 1 1 27 27 VAL CA C 108 66.746 66.746 64.975 1.771 18084
2015 1 7 . 1 1 27 27 VAL CB C 108 31.783 31.783 32.055 -0.272 18084
2016 1 7 . 1 1 27 27 VAL H H 108 7.896 7.896 7.626 0.270 18084
2017 1 7 . 1 1 28 28 MET N N 109 115.613 115.613 116.755 -1.142 18084
2018 1 7 . 1 1 28 28 MET HA H 109 4.359 4.359 4.192 0.167 18084
2019 1 7 . 1 1 28 28 MET CA C 109 57.020 57.020 56.984 0.036 18084
2020 1 7 . 1 1 28 28 MET CB C 109 29.108 29.108 31.762 -2.654 18084
2021 1 7 . 1 1 28 28 MET H H 109 8.348 8.348 8.210 0.138 18084
2022 1 7 . 1 1 29 29 THR N N 110 116.414 116.414 110.739 5.675 18084
2023 1 7 . 1 1 29 29 THR HA H 110 4.115 4.115 4.050 0.065 18084
2024 1 7 . 1 1 29 29 THR CA C 110 66.511 66.511 64.928 1.583 18084
2025 1 7 . 1 1 29 29 THR CB C 110 68.667 68.667 68.569 0.098 18084
2026 1 7 . 1 1 29 29 THR H H 110 8.318 8.318 7.607 0.711 18084
2027 1 7 . 1 1 30 30 ASN N N 111 123.002 123.002 119.209 3.793 18084
2028 1 7 . 1 1 30 30 ASN HA H 111 4.476 4.476 4.549 -0.073 18084
2029 1 7 . 1 1 30 30 ASN CA C 111 55.892 55.892 54.925 0.967 18084
2030 1 7 . 1 1 30 30 ASN CB C 111 38.279 38.279 38.605 -0.326 18084
2031 1 7 . 1 1 30 30 ASN H H 111 7.792 7.792 7.461 0.331 18084
2032 1 7 . 1 1 31 31 LEU N N 112 119.010 119.010 119.408 -0.398 18084
2033 1 7 . 1 1 31 31 LEU HA H 112 4.331 4.331 4.245 0.086 18084
2034 1 7 . 1 1 31 31 LEU CA C 112 55.619 55.619 55.143 0.476 18084
2035 1 7 . 1 1 31 31 LEU CB C 112 42.190 42.190 42.301 -0.111 18084
2036 1 7 . 1 1 31 31 LEU H H 112 7.788 7.788 7.476 0.312 18084
2037 1 7 . 1 1 32 32 GLY N N 113 106.844 106.844 107.152 -0.308 18084
2038 1 7 . 1 1 32 32 GLY CA C 113 45.330 45.330 45.641 -0.311 18084
2039 1 7 . 1 1 32 32 GLY H H 113 7.816 7.816 7.486 0.330 18084
2040 1 7 . 1 1 33 33 GLU N N 114 120.325 120.325 123.777 -3.452 18084
2041 1 7 . 1 1 33 33 GLU HA H 114 4.454 4.454 4.236 0.218 18084
2042 1 7 . 1 1 33 33 GLU CA C 114 55.014 55.014 55.496 -0.482 18084
2043 1 7 . 1 1 33 33 GLU CB C 114 30.494 30.494 28.586 1.908 18084
2044 1 7 . 1 1 33 33 GLU H H 114 7.888 7.888 7.982 -0.094 18084
2045 1 7 . 1 1 34 34 LYS N N 115 125.103 125.103 123.287 1.816 18084
2046 1 7 . 1 1 34 34 LYS HA H 115 4.401 4.401 4.140 0.261 18084
2047 1 7 . 1 1 34 34 LYS CA C 115 55.500 55.500 56.718 -1.218 18084
2048 1 7 . 1 1 34 34 LYS CB C 115 31.970 31.970 32.438 -0.468 18084
2049 1 7 . 1 1 34 34 LYS H H 115 8.576 8.576 8.097 0.479 18084
2050 1 7 . 1 1 35 35 LEU N N 116 124.861 124.861 126.048 -1.187 18084
2051 1 7 . 1 1 35 35 LEU HA H 116 4.759 4.759 4.600 0.159 18084
2052 1 7 . 1 1 35 35 LEU CA C 116 54.130 54.130 53.002 1.128 18084
2053 1 7 . 1 1 35 35 LEU CB C 116 44.629 44.629 43.599 1.030 18084
2054 1 7 . 1 1 35 35 LEU H H 116 8.002 8.002 8.490 -0.488 18084
2055 1 7 . 1 1 36 36 THR N N 117 114.594 114.594 112.131 2.463 18084
2056 1 7 . 1 1 36 36 THR HA H 117 4.601 4.601 4.459 0.142 18084
2057 1 7 . 1 1 36 36 THR CA C 117 60.777 60.777 60.681 0.096 18084
2058 1 7 . 1 1 36 36 THR CB C 117 71.180 71.180 70.769 0.411 18084
2059 1 7 . 1 1 36 36 THR H H 117 9.238 9.238 9.521 -0.283 18084
2060 1 7 . 1 1 37 37 ASP N N 118 121.017 121.017 120.898 0.119 18084
2061 1 7 . 1 1 37 37 ASP HA H 118 4.216 4.216 4.332 -0.116 18084
2062 1 7 . 1 1 37 37 ASP CA C 118 58.138 58.138 58.102 0.036 18084
2063 1 7 . 1 1 37 37 ASP CB C 118 39.658 39.658 40.725 -1.067 18084
2064 1 7 . 1 1 37 37 ASP H H 118 8.854 8.854 8.826 0.028 18084
2065 1 7 . 1 1 38 38 GLU N N 119 119.262 119.262 118.357 0.905 18084
2066 1 7 . 1 1 38 38 GLU HA H 119 4.113 4.113 4.084 0.029 18084
2067 1 7 . 1 1 38 38 GLU CA C 119 59.919 59.919 59.523 0.396 18084
2068 1 7 . 1 1 38 38 GLU CB C 119 29.132 29.132 29.264 -0.132 18084
2069 1 7 . 1 1 38 38 GLU H H 119 8.629 8.629 8.790 -0.161 18084
2070 1 7 . 1 1 39 39 GLU N N 120 118.567 118.567 119.955 -1.388 18084
2071 1 7 . 1 1 39 39 GLU HA H 120 4.074 4.074 4.071 0.003 18084
2072 1 7 . 1 1 39 39 GLU CA C 120 59.391 59.391 59.355 0.036 18084
2073 1 7 . 1 1 39 39 GLU CB C 120 30.211 30.211 29.589 0.622 18084
2074 1 7 . 1 1 39 39 GLU H H 120 8.097 8.097 7.612 0.485 18084
2075 1 7 . 1 1 40 40 VAL N N 121 120.686 120.686 119.584 1.102 18084
2076 1 7 . 1 1 40 40 VAL HA H 121 3.465 3.465 3.675 -0.210 18084
2077 1 7 . 1 1 40 40 VAL CA C 121 66.809 66.809 66.948 -0.139 18084
2078 1 7 . 1 1 40 40 VAL CB C 121 31.587 31.587 31.667 -0.080 18084
2079 1 7 . 1 1 40 40 VAL H H 121 7.969 7.969 7.926 0.043 18084
2080 1 7 . 1 1 41 41 ASP N N 122 119.330 119.330 120.285 -0.955 18084
2081 1 7 . 1 1 41 41 ASP HA H 122 4.348 4.348 4.299 0.049 18084
2082 1 7 . 1 1 41 41 ASP CA C 122 57.868 57.868 57.761 0.107 18084
2083 1 7 . 1 1 41 41 ASP CB C 122 40.541 40.541 41.006 -0.465 18084
2084 1 7 . 1 1 41 41 ASP H H 122 7.972 7.972 8.426 -0.454 18084
2085 1 7 . 1 1 42 42 GLU N N 123 119.682 119.682 119.569 0.113 18084
2086 1 7 . 1 1 42 42 GLU HA H 123 3.975 3.975 4.048 -0.073 18084
2087 1 7 . 1 1 42 42 GLU CA C 123 59.521 59.521 59.180 0.341 18084
2088 1 7 . 1 1 42 42 GLU CB C 123 29.566 29.566 29.640 -0.074 18084
2089 1 7 . 1 1 42 42 GLU H H 123 8.016 8.016 8.293 -0.277 18084
2090 1 7 . 1 1 43 43 MET N N 124 119.466 119.466 118.419 1.047 18084
2091 1 7 . 1 1 43 43 MET HA H 124 4.123 4.123 4.159 -0.036 18084
2092 1 7 . 1 1 43 43 MET CA C 124 60.111 60.111 59.377 0.734 18084
2093 1 7 . 1 1 43 43 MET CB C 124 33.358 33.358 32.843 0.515 18084
2094 1 7 . 1 1 43 43 MET H H 124 7.825 7.825 7.833 -0.008 18084
2095 1 7 . 1 1 44 44 ILE N N 125 119.195 119.195 115.974 3.221 18084
2096 1 7 . 1 1 44 44 ILE HA H 125 3.821 3.821 3.909 -0.088 18084
2097 1 7 . 1 1 44 44 ILE CA C 125 63.732 63.732 63.333 0.399 18084
2098 1 7 . 1 1 44 44 ILE CB C 125 36.277 36.277 37.329 -1.052 18084
2099 1 7 . 1 1 44 44 ILE H H 125 7.952 7.952 7.792 0.160 18084
2100 1 7 . 1 1 45 45 ARG N N 126 118.673 118.673 119.785 -1.112 18084
2101 1 7 . 1 1 45 45 ARG HA H 126 4.063 4.063 3.996 0.067 18084
2102 1 7 . 1 1 45 45 ARG CA C 126 59.825 59.825 59.131 0.694 18084
2103 1 7 . 1 1 45 45 ARG CB C 126 30.427 30.427 30.309 0.117 18084
2104 1 7 . 1 1 45 45 ARG H H 126 8.492 8.492 8.019 0.473 18084
2105 1 7 . 1 1 46 46 GLU N N 127 116.432 116.432 117.107 -0.675 18084
2106 1 7 . 1 1 46 46 GLU HA H 127 4.036 4.036 4.254 -0.218 18084
2107 1 7 . 1 1 46 46 GLU CA C 127 58.676 58.676 57.426 1.250 18084
2108 1 7 . 1 1 46 46 GLU CB C 127 29.842 29.842 30.143 -0.301 18084
2109 1 7 . 1 1 46 46 GLU H H 127 7.944 7.944 7.809 0.135 18084
2110 1 7 . 1 1 47 47 ALA N N 128 118.021 118.021 119.196 -1.175 18084
2111 1 7 . 1 1 47 47 ALA HA H 128 4.466 4.466 4.444 0.022 18084
2112 1 7 . 1 1 47 47 ALA CA C 128 51.798 51.798 51.698 0.100 18084
2113 1 7 . 1 1 47 47 ALA CB C 128 22.115 22.115 19.917 2.198 18084
2114 1 7 . 1 1 47 47 ALA H H 128 7.195 7.195 7.267 -0.072 18084
2115 1 7 . 1 1 48 48 ASP N N 129 117.984 117.984 117.764 0.220 18084
2116 1 7 . 1 1 48 48 ASP HA H 129 4.494 4.494 5.001 -0.507 18084
2117 1 7 . 1 1 48 48 ASP CA C 129 54.472 54.472 53.749 0.723 18084
2118 1 7 . 1 1 48 48 ASP CB C 129 40.753 40.753 42.987 -2.235 18084
2119 1 7 . 1 1 48 48 ASP H H 129 8.024 8.024 7.666 0.358 18084
2120 1 7 . 1 1 49 49 ILE N N 130 127.861 127.861 124.079 3.782 18084
2121 1 7 . 1 1 49 49 ILE HA H 130 3.918 3.918 4.224 -0.306 18084
2122 1 7 . 1 1 49 49 ILE CA C 130 63.240 63.240 61.306 1.934 18084
2123 1 7 . 1 1 49 49 ILE CB C 130 38.809 38.809 39.738 -0.929 18084
2124 1 7 . 1 1 49 49 ILE H H 130 8.302 8.302 9.660 -1.358 18084
2125 1 7 . 1 1 50 50 ASP N N 131 116.838 116.838 121.526 -4.688 18084
2126 1 7 . 1 1 50 50 ASP HA H 131 4.541 4.541 4.455 0.086 18084
2127 1 7 . 1 1 50 50 ASP CA C 131 54.045 54.045 55.356 -1.312 18084
2128 1 7 . 1 1 50 50 ASP CB C 131 39.947 39.947 41.654 -1.707 18084
2129 1 7 . 1 1 50 50 ASP H H 131 8.350 8.350 8.729 -0.379 18084
2130 1 7 . 1 1 51 51 GLY N N 132 108.737 108.737 109.780 -1.043 18084
2131 1 7 . 1 1 51 51 GLY CA C 132 47.528 47.528 45.180 2.348 18084
2132 1 7 . 1 1 51 51 GLY H H 132 7.634 7.634 8.651 -1.017 18084
2133 1 7 . 1 1 52 52 ASP N N 133 120.912 120.912 119.809 1.103 18084
2134 1 7 . 1 1 52 52 ASP HA H 133 4.486 4.486 4.675 -0.189 18084
2135 1 7 . 1 1 52 52 ASP CA C 133 53.799 53.799 53.214 0.585 18084
2136 1 7 . 1 1 52 52 ASP CB C 133 40.223 40.223 42.030 -1.807 18084
2137 1 7 . 1 1 52 52 ASP H H 133 8.390 8.390 9.022 -0.632 18084
2138 1 7 . 1 1 53 53 GLY N N 134 112.792 112.792 108.612 4.180 18084
2139 1 7 . 1 1 53 53 GLY CA C 134 45.957 45.957 45.331 0.626 18084
2140 1 7 . 1 1 53 53 GLY H H 134 10.276 10.276 8.917 1.359 18084
2141 1 7 . 1 1 54 54 GLN N N 135 115.190 115.190 118.427 -3.237 18084
2142 1 7 . 1 1 54 54 GLN HA H 135 4.960 4.960 4.790 0.170 18084
2143 1 7 . 1 1 54 54 GLN CA C 135 53.311 53.311 53.847 -0.536 18084
2144 1 7 . 1 1 54 54 GLN CB C 135 32.662 32.662 32.557 0.105 18084
2145 1 7 . 1 1 54 54 GLN H H 135 7.993 7.993 8.193 -0.200 18084
2146 1 7 . 1 1 55 55 VAL N N 136 125.623 125.623 116.659 8.964 18084
2147 1 7 . 1 1 55 55 VAL HA H 136 5.230 5.230 4.868 0.362 18084
2148 1 7 . 1 1 55 55 VAL CA C 136 61.782 61.782 60.955 0.827 18084
2149 1 7 . 1 1 55 55 VAL CB C 136 33.899 33.899 33.014 0.885 18084
2150 1 7 . 1 1 55 55 VAL H H 136 9.081 9.081 8.005 1.076 18084
2151 1 7 . 1 1 56 56 ASN N N 137 129.390 129.390 124.752 4.638 18084
2152 1 7 . 1 1 56 56 ASN HA H 137 5.331 5.331 5.313 0.018 18084
2153 1 7 . 1 1 56 56 ASN CA C 137 51.131 51.131 50.921 0.210 18084
2154 1 7 . 1 1 56 56 ASN CB C 137 38.423 38.423 40.239 -1.816 18084
2155 1 7 . 1 1 56 56 ASN H H 137 9.602 9.602 8.408 1.194 18084
2156 1 7 . 1 1 57 57 TYR N N 138 118.471 118.471 120.990 -2.519 18084
2157 1 7 . 1 1 57 57 TYR HA H 138 3.400 3.400 3.326 0.074 18084
2158 1 7 . 1 1 57 57 TYR CA C 138 62.542 62.542 63.143 -0.601 18084
2159 1 7 . 1 1 57 57 TYR CB C 138 37.957 37.957 38.469 -0.512 18084
2160 1 7 . 1 1 57 57 TYR H H 138 8.361 8.361 8.916 -0.555 18084
2161 1 7 . 1 1 58 58 GLU N N 139 118.571 118.571 118.087 0.484 18084
2162 1 7 . 1 1 58 58 GLU HA H 139 3.634 3.634 3.837 -0.203 18084
2163 1 7 . 1 1 58 58 GLU CA C 139 60.285 60.285 60.183 0.102 18084
2164 1 7 . 1 1 58 58 GLU CB C 139 28.798 28.798 28.989 -0.191 18084
2165 1 7 . 1 1 58 58 GLU H H 139 8.061 8.061 8.275 -0.214 18084
2166 1 7 . 1 1 59 59 GLU N N 140 119.901 119.901 120.344 -0.443 18084
2167 1 7 . 1 1 59 59 GLU HA H 140 3.882 3.882 4.035 -0.153 18084
2168 1 7 . 1 1 59 59 GLU CA C 140 58.783 58.783 59.062 -0.279 18084
2169 1 7 . 1 1 59 59 GLU CB C 140 29.693 29.693 29.608 0.085 18084
2170 1 7 . 1 1 59 59 GLU H H 140 8.699 8.699 9.085 -0.386 18084
2171 1 7 . 1 1 60 60 PHE N N 141 123.530 123.530 121.498 2.032 18084
2172 1 7 . 1 1 60 60 PHE HA H 141 3.555 3.555 4.198 -0.643 18084
2173 1 7 . 1 1 60 60 PHE CA C 141 61.934 61.934 61.495 0.439 18084
2174 1 7 . 1 1 60 60 PHE CB C 141 40.046 40.046 39.023 1.023 18084
2175 1 7 . 1 1 60 60 PHE H H 141 8.604 8.604 8.658 -0.054 18084
2176 1 7 . 1 1 61 61 VAL N N 142 119.574 119.574 118.804 0.770 18084
2177 1 7 . 1 1 61 61 VAL HA H 142 3.039 3.039 3.372 -0.333 18084
2178 1 7 . 1 1 61 61 VAL CA C 142 67.003 67.003 66.783 0.220 18084
2179 1 7 . 1 1 61 61 VAL CB C 142 31.519 31.519 31.283 0.236 18084
2180 1 7 . 1 1 61 61 VAL H H 142 8.728 8.728 7.737 0.991 18084
2181 1 7 . 1 1 62 62 GLN N N 143 118.463 118.463 118.945 -0.482 18084
2182 1 7 . 1 1 62 62 GLN HA H 143 3.836 3.836 3.874 -0.038 18084
2183 1 7 . 1 1 62 62 GLN CA C 143 58.888 58.888 58.980 -0.092 18084
2184 1 7 . 1 1 62 62 GLN CB C 143 28.024 28.024 28.885 -0.861 18084
2185 1 7 . 1 1 62 62 GLN H H 143 7.528 7.528 7.929 -0.401 18084
2186 1 7 . 1 1 63 63 MET N N 144 117.042 117.042 117.440 -0.398 18084
2187 1 7 . 1 1 63 63 MET HA H 144 4.188 4.188 4.132 0.056 18084
2188 1 7 . 1 1 63 63 MET CA C 144 56.830 56.830 58.231 -1.401 18084
2189 1 7 . 1 1 63 63 MET CB C 144 31.919 31.919 32.704 -0.785 18084
2190 1 7 . 1 1 63 63 MET H H 144 7.299 7.299 8.130 -0.831 18084
2191 1 7 . 1 1 64 64 MET N N 145 115.614 115.614 117.397 -1.783 18084
2192 1 7 . 1 1 64 64 MET HA H 145 4.297 4.297 4.126 0.171 18084
2193 1 7 . 1 1 64 64 MET CA C 145 55.443 55.443 57.394 -1.951 18084
2194 1 7 . 1 1 64 64 MET CB C 145 33.556 33.556 32.787 0.769 18084
2195 1 7 . 1 1 64 64 MET H H 145 7.727 7.727 7.938 -0.211 18084
2196 1 7 . 1 1 65 65 THR N N 146 110.331 110.331 112.038 -1.707 18084
2197 1 7 . 1 1 65 65 THR HA H 146 4.283 4.283 4.391 -0.108 18084
2198 1 7 . 1 1 65 65 THR CA C 146 62.323 62.323 61.207 1.116 18084
2199 1 7 . 1 1 65 65 THR CB C 146 70.214 70.214 68.733 1.481 18084
2200 1 7 . 1 1 65 65 THR H H 146 7.591 7.591 7.752 -0.161 18084
2201 1 7 . 1 1 66 66 ALA N N 147 126.381 126.381 125.390 0.991 18084
2202 1 7 . 1 1 66 66 ALA HA H 147 4.319 4.319 4.380 -0.061 18084
2203 1 7 . 1 1 66 66 ALA CA C 147 52.896 52.896 51.397 1.499 18084
2204 1 7 . 1 1 66 66 ALA CB C 147 19.066 19.066 18.322 0.744 18084
2205 1 7 . 1 1 66 66 ALA H H 147 7.564 7.564 7.511 0.053 18084
2206 1 8 . 1 1 2 2 GLU N N 83 119.694 119.694 121.747 -2.053 18084
2207 1 8 . 1 1 2 2 GLU HA H 83 4.059 4.059 4.047 0.012 18084
2208 1 8 . 1 1 2 2 GLU CA C 83 59.784 59.784 59.253 0.531 18084
2209 1 8 . 1 1 2 2 GLU CB C 83 29.191 29.191 28.736 0.455 18084
2210 1 8 . 1 1 2 2 GLU H H 83 8.307 8.307 8.760 -0.453 18084
2211 1 8 . 1 1 3 3 GLU N N 84 120.715 120.715 118.992 1.723 18084
2212 1 8 . 1 1 3 3 GLU HA H 84 4.064 4.064 4.095 -0.031 18084
2213 1 8 . 1 1 3 3 GLU CA C 84 59.505 59.505 59.331 0.174 18084
2214 1 8 . 1 1 3 3 GLU CB C 84 30.028 30.028 28.867 1.161 18084
2215 1 8 . 1 1 3 3 GLU H H 84 7.675 7.675 8.842 -1.167 18084
2216 1 8 . 1 1 4 4 ILE N N 85 121.349 121.349 119.518 1.831 18084
2217 1 8 . 1 1 4 4 ILE HA H 85 3.866 3.866 3.839 0.027 18084
2218 1 8 . 1 1 4 4 ILE CA C 85 65.483 65.483 64.465 1.018 18084
2219 1 8 . 1 1 4 4 ILE CB C 85 37.465 37.465 37.544 -0.079 18084
2220 1 8 . 1 1 4 4 ILE H H 85 7.940 7.940 7.482 0.458 18084
2221 1 8 . 1 1 5 5 ARG N N 86 122.126 122.126 120.127 1.999 18084
2222 1 8 . 1 1 5 5 ARG HA H 86 4.223 4.223 4.103 0.120 18084
2223 1 8 . 1 1 5 5 ARG CA C 86 60.172 60.172 59.257 0.915 18084
2224 1 8 . 1 1 5 5 ARG CB C 86 29.624 29.624 30.058 -0.434 18084
2225 1 8 . 1 1 5 5 ARG H H 86 8.535 8.535 7.564 0.971 18084
2226 1 8 . 1 1 6 6 GLU N N 87 118.362 118.362 118.636 -0.274 18084
2227 1 8 . 1 1 6 6 GLU HA H 87 4.067 4.067 4.162 -0.095 18084
2228 1 8 . 1 1 6 6 GLU CA C 87 59.261 59.261 58.710 0.551 18084
2229 1 8 . 1 1 6 6 GLU CB C 87 29.515 29.515 29.447 0.068 18084
2230 1 8 . 1 1 6 6 GLU H H 87 8.232 8.232 8.494 -0.262 18084
2231 1 8 . 1 1 7 7 ALA N N 88 121.569 121.569 122.526 -0.957 18084
2232 1 8 . 1 1 7 7 ALA HA H 88 4.205 4.205 3.732 0.473 18084
2233 1 8 . 1 1 7 7 ALA CA C 88 55.505 55.505 54.794 0.711 18084
2234 1 8 . 1 1 7 7 ALA CB C 88 17.919 17.919 17.888 0.031 18084
2235 1 8 . 1 1 7 7 ALA H H 88 8.011 8.011 8.351 -0.340 18084
2236 1 8 . 1 1 8 8 PHE N N 89 119.066 119.066 118.674 0.392 18084
2237 1 8 . 1 1 8 8 PHE HA H 89 3.295 3.295 3.481 -0.186 18084
2238 1 8 . 1 1 8 8 PHE CA C 89 62.428 62.428 61.051 1.377 18084
2239 1 8 . 1 1 8 8 PHE CB C 89 39.058 39.058 38.640 0.418 18084
2240 1 8 . 1 1 8 8 PHE H H 89 8.682 8.682 7.603 1.079 18084
2241 1 8 . 1 1 9 9 ARG N N 90 115.506 115.506 118.134 -2.628 18084
2242 1 8 . 1 1 9 9 ARG HA H 90 3.894 3.894 3.893 0.001 18084
2243 1 8 . 1 1 9 9 ARG CA C 90 58.779 58.779 58.062 0.717 18084
2244 1 8 . 1 1 9 9 ARG CB C 90 30.526 30.526 29.136 1.390 18084
2245 1 8 . 1 1 9 9 ARG H H 90 7.803 7.803 7.457 0.346 18084
2246 1 8 . 1 1 10 10 VAL N N 91 118.528 118.528 118.038 0.490 18084
2247 1 8 . 1 1 10 10 VAL HA H 91 3.498 3.498 3.768 -0.270 18084
2248 1 8 . 1 1 10 10 VAL CA C 91 65.886 65.886 65.590 0.296 18084
2249 1 8 . 1 1 10 10 VAL CB C 91 31.135 31.135 31.552 -0.417 18084
2250 1 8 . 1 1 10 10 VAL H H 91 7.457 7.457 7.346 0.111 18084
2251 1 8 . 1 1 11 11 PHE N N 92 114.999 114.999 115.700 -0.701 18084
2252 1 8 . 1 1 11 11 PHE HA H 92 4.182 4.182 4.369 -0.187 18084
2253 1 8 . 1 1 11 11 PHE CA C 92 60.728 60.728 57.910 2.817 18084
2254 1 8 . 1 1 11 11 PHE CB C 92 41.596 41.596 38.718 2.877 18084
2255 1 8 . 1 1 11 11 PHE H H 92 7.119 7.119 7.636 -0.517 18084
2256 1 8 . 1 1 12 12 ASP N N 93 116.105 116.105 119.091 -2.986 18084
2257 1 8 . 1 1 12 12 ASP HA H 93 4.609 4.609 4.769 -0.160 18084
2258 1 8 . 1 1 12 12 ASP CA C 93 52.575 52.575 53.615 -1.040 18084
2259 1 8 . 1 1 12 12 ASP CB C 93 38.699 38.699 40.322 -1.623 18084
2260 1 8 . 1 1 12 12 ASP H H 93 7.966 7.966 7.830 0.136 18084
2261 1 8 . 1 1 13 13 LYS N N 94 126.306 126.306 127.318 -1.012 18084
2262 1 8 . 1 1 13 13 LYS HA H 94 3.956 3.956 4.197 -0.241 18084
2263 1 8 . 1 1 13 13 LYS CA C 94 59.124 59.124 58.181 0.943 18084
2264 1 8 . 1 1 13 13 LYS CB C 94 32.783 32.783 33.001 -0.218 18084
2265 1 8 . 1 1 13 13 LYS H H 94 7.912 7.912 9.107 -1.195 18084
2266 1 8 . 1 1 14 14 ASP N N 95 114.408 114.408 117.684 -3.276 18084
2267 1 8 . 1 1 14 14 ASP HA H 95 4.574 4.574 4.424 0.150 18084
2268 1 8 . 1 1 14 14 ASP CA C 95 53.094 53.094 55.222 -2.128 18084
2269 1 8 . 1 1 14 14 ASP CB C 95 39.625 39.625 41.020 -1.395 18084
2270 1 8 . 1 1 14 14 ASP H H 95 8.210 8.210 8.370 -0.160 18084
2271 1 8 . 1 1 15 15 GLY N N 96 109.216 109.216 110.769 -1.553 18084
2272 1 8 . 1 1 15 15 GLY CA C 96 47.204 47.204 45.621 1.583 18084
2273 1 8 . 1 1 15 15 GLY H H 96 7.789 7.789 8.368 -0.579 18084
2274 1 8 . 1 1 16 16 ASN N N 97 119.756 119.756 118.244 1.512 18084
2275 1 8 . 1 1 16 16 ASN HA H 97 4.670 4.670 4.783 -0.113 18084
2276 1 8 . 1 1 16 16 ASN CA C 97 52.817 52.817 52.457 0.360 18084
2277 1 8 . 1 1 16 16 ASN CB C 97 38.260 38.260 40.515 -2.255 18084
2278 1 8 . 1 1 16 16 ASN H H 97 8.376 8.376 9.034 -0.658 18084
2279 1 8 . 1 1 17 17 GLY N N 98 112.788 112.788 108.829 3.959 18084
2280 1 8 . 1 1 17 17 GLY CA C 98 45.075 45.075 45.864 -0.789 18084
2281 1 8 . 1 1 17 17 GLY H H 98 10.652 10.652 8.956 1.696 18084
2282 1 8 . 1 1 18 18 TYR N N 99 116.107 116.107 117.987 -1.880 18084
2283 1 8 . 1 1 18 18 TYR HA H 99 5.061 5.061 5.146 -0.085 18084
2284 1 8 . 1 1 18 18 TYR CA C 99 56.262 56.262 56.651 -0.389 18084
2285 1 8 . 1 1 18 18 TYR CB C 99 43.007 43.007 41.177 1.830 18084
2286 1 8 . 1 1 18 18 TYR H H 99 7.674 7.674 8.157 -0.483 18084
2287 1 8 . 1 1 19 19 ILE N N 100 127.280 127.280 126.285 0.995 18084
2288 1 8 . 1 1 19 19 ILE HA H 100 4.720 4.720 4.225 0.495 18084
2289 1 8 . 1 1 19 19 ILE CA C 100 61.231 61.231 61.561 -0.330 18084
2290 1 8 . 1 1 19 19 ILE CB C 100 39.342 39.342 37.739 1.603 18084
2291 1 8 . 1 1 19 19 ILE H H 100 10.172 10.172 8.655 1.517 18084
2292 1 8 . 1 1 20 20 SER N N 101 123.721 123.721 123.611 0.110 18084
2293 1 8 . 1 1 20 20 SER HA H 101 4.959 4.959 4.473 0.486 18084
2294 1 8 . 1 1 20 20 SER CA C 101 55.629 55.629 56.821 -1.192 18084
2295 1 8 . 1 1 20 20 SER CB C 101 66.984 66.984 65.143 1.841 18084
2296 1 8 . 1 1 20 20 SER H H 101 8.978 8.978 8.770 0.208 18084
2297 1 8 . 1 1 21 21 ALA N N 102 123.086 123.086 126.821 -3.735 18084
2298 1 8 . 1 1 21 21 ALA HA H 102 3.920 3.920 4.056 -0.136 18084
2299 1 8 . 1 1 21 21 ALA CA C 102 55.987 55.987 55.274 0.713 18084
2300 1 8 . 1 1 21 21 ALA CB C 102 18.036 18.036 18.493 -0.457 18084
2301 1 8 . 1 1 21 21 ALA H H 102 9.212 9.212 8.811 0.401 18084
2302 1 8 . 1 1 22 22 ALA N N 103 118.515 118.515 120.529 -2.014 18084
2303 1 8 . 1 1 22 22 ALA HA H 103 4.066 4.066 3.980 0.086 18084
2304 1 8 . 1 1 22 22 ALA CA C 103 55.277 55.277 54.953 0.325 18084
2305 1 8 . 1 1 22 22 ALA CB C 103 18.403 18.403 18.323 0.080 18084
2306 1 8 . 1 1 22 22 ALA H H 103 8.234 8.234 7.939 0.295 18084
2307 1 8 . 1 1 23 23 GLU N N 104 120.368 120.368 118.284 2.084 18084
2308 1 8 . 1 1 23 23 GLU HA H 104 4.052 4.052 4.052 0.000 18084
2309 1 8 . 1 1 23 23 GLU CA C 104 59.617 59.617 59.093 0.524 18084
2310 1 8 . 1 1 23 23 GLU CB C 104 29.263 29.263 29.384 -0.121 18084
2311 1 8 . 1 1 23 23 GLU H H 104 7.863 7.863 8.412 -0.549 18084
2312 1 8 . 1 1 24 24 LEU N N 105 121.416 121.416 120.536 0.880 18084
2313 1 8 . 1 1 24 24 LEU HA H 105 4.187 4.187 4.050 0.137 18084
2314 1 8 . 1 1 24 24 LEU CA C 105 58.561 58.561 57.275 1.286 18084
2315 1 8 . 1 1 24 24 LEU CB C 105 42.122 42.122 41.950 0.172 18084
2316 1 8 . 1 1 24 24 LEU H H 105 8.502 8.502 8.177 0.325 18084
2317 1 8 . 1 1 25 25 ARG N N 106 118.344 118.344 118.826 -0.482 18084
2318 1 8 . 1 1 25 25 ARG HA H 106 3.710 3.710 3.952 -0.242 18084
2319 1 8 . 1 1 25 25 ARG CA C 106 60.063 60.063 59.473 0.590 18084
2320 1 8 . 1 1 25 25 ARG CB C 106 30.399 30.399 29.755 0.644 18084
2321 1 8 . 1 1 25 25 ARG H H 106 8.691 8.691 8.086 0.605 18084
2322 1 8 . 1 1 26 26 HIS N N 107 119.487 119.487 118.264 1.223 18084
2323 1 8 . 1 1 26 26 HIS HA H 107 4.307 4.307 4.380 -0.073 18084
2324 1 8 . 1 1 26 26 HIS CA C 107 60.105 60.105 59.221 0.884 18084
2325 1 8 . 1 1 26 26 HIS CB C 107 30.761 30.761 30.161 0.600 18084
2326 1 8 . 1 1 26 26 HIS H H 107 7.960 7.960 7.729 0.231 18084
2327 1 8 . 1 1 27 27 VAL N N 108 119.546 119.546 119.937 -0.391 18084
2328 1 8 . 1 1 27 27 VAL HA H 108 3.513 3.513 3.672 -0.159 18084
2329 1 8 . 1 1 27 27 VAL CA C 108 66.746 66.746 65.591 1.155 18084
2330 1 8 . 1 1 27 27 VAL CB C 108 31.783 31.783 31.402 0.381 18084
2331 1 8 . 1 1 27 27 VAL H H 108 7.896 7.896 7.739 0.157 18084
2332 1 8 . 1 1 28 28 MET N N 109 115.613 115.613 119.241 -3.628 18084
2333 1 8 . 1 1 28 28 MET HA H 109 4.359 4.359 4.082 0.277 18084
2334 1 8 . 1 1 28 28 MET CA C 109 57.020 57.020 58.991 -1.971 18084
2335 1 8 . 1 1 28 28 MET CB C 109 29.108 29.108 31.893 -2.785 18084
2336 1 8 . 1 1 28 28 MET H H 109 8.348 8.348 7.804 0.544 18084
2337 1 8 . 1 1 29 29 THR N N 110 116.414 116.414 113.835 2.579 18084
2338 1 8 . 1 1 29 29 THR HA H 110 4.115 4.115 3.919 0.196 18084
2339 1 8 . 1 1 29 29 THR CA C 110 66.511 66.511 67.061 -0.550 18084
2340 1 8 . 1 1 29 29 THR CB C 110 68.667 68.667 68.162 0.505 18084
2341 1 8 . 1 1 29 29 THR H H 110 8.318 8.318 7.670 0.648 18084
2342 1 8 . 1 1 30 30 ASN N N 111 123.002 123.002 118.363 4.639 18084
2343 1 8 . 1 1 30 30 ASN HA H 111 4.476 4.476 4.611 -0.135 18084
2344 1 8 . 1 1 30 30 ASN CA C 111 55.892 55.892 54.760 1.132 18084
2345 1 8 . 1 1 30 30 ASN CB C 111 38.279 38.279 38.613 -0.334 18084
2346 1 8 . 1 1 30 30 ASN H H 111 7.792 7.792 7.325 0.467 18084
2347 1 8 . 1 1 31 31 LEU N N 112 119.010 119.010 119.820 -0.810 18084
2348 1 8 . 1 1 31 31 LEU HA H 112 4.331 4.331 4.196 0.135 18084
2349 1 8 . 1 1 31 31 LEU CA C 112 55.619 55.619 55.865 -0.246 18084
2350 1 8 . 1 1 31 31 LEU CB C 112 42.190 42.190 42.375 -0.185 18084
2351 1 8 . 1 1 31 31 LEU H H 112 7.788 7.788 7.963 -0.175 18084
2352 1 8 . 1 1 32 32 GLY N N 113 106.844 106.844 106.335 0.509 18084
2353 1 8 . 1 1 32 32 GLY CA C 113 45.330 45.330 44.902 0.428 18084
2354 1 8 . 1 1 32 32 GLY H H 113 7.816 7.816 7.750 0.066 18084
2355 1 8 . 1 1 33 33 GLU N N 114 120.325 120.325 124.125 -3.800 18084
2356 1 8 . 1 1 33 33 GLU HA H 114 4.454 4.454 4.265 0.189 18084
2357 1 8 . 1 1 33 33 GLU CA C 114 55.014 55.014 55.837 -0.823 18084
2358 1 8 . 1 1 33 33 GLU CB C 114 30.494 30.494 29.255 1.239 18084
2359 1 8 . 1 1 33 33 GLU H H 114 7.888 7.888 8.249 -0.361 18084
2360 1 8 . 1 1 34 34 LYS N N 115 125.103 125.103 126.463 -1.360 18084
2361 1 8 . 1 1 34 34 LYS HA H 115 4.401 4.401 4.241 0.160 18084
2362 1 8 . 1 1 34 34 LYS CA C 115 55.500 55.500 56.118 -0.618 18084
2363 1 8 . 1 1 34 34 LYS CB C 115 31.970 31.970 31.335 0.635 18084
2364 1 8 . 1 1 34 34 LYS H H 115 8.576 8.576 8.377 0.199 18084
2365 1 8 . 1 1 35 35 LEU N N 116 124.861 124.861 124.253 0.608 18084
2366 1 8 . 1 1 35 35 LEU HA H 116 4.759 4.759 4.220 0.539 18084
2367 1 8 . 1 1 35 35 LEU CA C 116 54.130 54.130 54.842 -0.712 18084
2368 1 8 . 1 1 35 35 LEU CB C 116 44.629 44.629 42.476 2.153 18084
2369 1 8 . 1 1 35 35 LEU H H 116 8.002 8.002 7.809 0.193 18084
2370 1 8 . 1 1 36 36 THR N N 117 114.594 114.594 112.140 2.454 18084
2371 1 8 . 1 1 36 36 THR HA H 117 4.601 4.601 4.360 0.241 18084
2372 1 8 . 1 1 36 36 THR CA C 117 60.777 60.777 60.791 -0.014 18084
2373 1 8 . 1 1 36 36 THR CB C 117 71.180 71.180 70.040 1.140 18084
2374 1 8 . 1 1 36 36 THR H H 117 9.238 9.238 9.453 -0.215 18084
2375 1 8 . 1 1 37 37 ASP N N 118 121.017 121.017 120.993 0.024 18084
2376 1 8 . 1 1 37 37 ASP HA H 118 4.216 4.216 4.346 -0.130 18084
2377 1 8 . 1 1 37 37 ASP CA C 118 58.138 58.138 57.915 0.223 18084
2378 1 8 . 1 1 37 37 ASP CB C 118 39.658 39.658 40.656 -0.998 18084
2379 1 8 . 1 1 37 37 ASP H H 118 8.854 8.854 8.807 0.047 18084
2380 1 8 . 1 1 38 38 GLU N N 119 119.262 119.262 118.271 0.991 18084
2381 1 8 . 1 1 38 38 GLU HA H 119 4.113 4.113 4.108 0.005 18084
2382 1 8 . 1 1 38 38 GLU CA C 119 59.919 59.919 59.568 0.351 18084
2383 1 8 . 1 1 38 38 GLU CB C 119 29.132 29.132 29.454 -0.322 18084
2384 1 8 . 1 1 38 38 GLU H H 119 8.629 8.629 8.784 -0.155 18084
2385 1 8 . 1 1 39 39 GLU N N 120 118.567 118.567 119.921 -1.354 18084
2386 1 8 . 1 1 39 39 GLU HA H 120 4.074 4.074 4.138 -0.064 18084
2387 1 8 . 1 1 39 39 GLU CA C 120 59.391 59.391 59.090 0.301 18084
2388 1 8 . 1 1 39 39 GLU CB C 120 30.211 30.211 29.786 0.425 18084
2389 1 8 . 1 1 39 39 GLU H H 120 8.097 8.097 7.526 0.571 18084
2390 1 8 . 1 1 40 40 VAL N N 121 120.686 120.686 120.157 0.529 18084
2391 1 8 . 1 1 40 40 VAL HA H 121 3.465 3.465 3.622 -0.157 18084
2392 1 8 . 1 1 40 40 VAL CA C 121 66.809 66.809 66.856 -0.047 18084
2393 1 8 . 1 1 40 40 VAL CB C 121 31.587 31.587 31.619 -0.031 18084
2394 1 8 . 1 1 40 40 VAL H H 121 7.969 7.969 8.352 -0.383 18084
2395 1 8 . 1 1 41 41 ASP N N 122 119.330 119.330 120.422 -1.092 18084
2396 1 8 . 1 1 41 41 ASP HA H 122 4.348 4.348 4.249 0.099 18084
2397 1 8 . 1 1 41 41 ASP CA C 122 57.868 57.868 57.903 -0.035 18084
2398 1 8 . 1 1 41 41 ASP CB C 122 40.541 40.541 40.843 -0.302 18084
2399 1 8 . 1 1 41 41 ASP H H 122 7.972 7.972 8.154 -0.182 18084
2400 1 8 . 1 1 42 42 GLU N N 123 119.682 119.682 120.150 -0.468 18084
2401 1 8 . 1 1 42 42 GLU HA H 123 3.975 3.975 3.997 -0.022 18084
2402 1 8 . 1 1 42 42 GLU CA C 123 59.521 59.521 59.203 0.318 18084
2403 1 8 . 1 1 42 42 GLU CB C 123 29.566 29.566 29.509 0.056 18084
2404 1 8 . 1 1 42 42 GLU H H 123 8.016 8.016 8.005 0.011 18084
2405 1 8 . 1 1 43 43 MET N N 124 119.466 119.466 117.394 2.072 18084
2406 1 8 . 1 1 43 43 MET HA H 124 4.123 4.123 4.164 -0.041 18084
2407 1 8 . 1 1 43 43 MET CA C 124 60.111 60.111 59.328 0.783 18084
2408 1 8 . 1 1 43 43 MET CB C 124 33.358 33.358 32.831 0.527 18084
2409 1 8 . 1 1 43 43 MET H H 124 7.825 7.825 7.745 0.080 18084
2410 1 8 . 1 1 44 44 ILE N N 125 119.195 119.195 115.265 3.930 18084
2411 1 8 . 1 1 44 44 ILE HA H 125 3.821 3.821 4.066 -0.245 18084
2412 1 8 . 1 1 44 44 ILE CA C 125 63.732 63.732 62.896 0.836 18084
2413 1 8 . 1 1 44 44 ILE CB C 125 36.277 36.277 37.384 -1.107 18084
2414 1 8 . 1 1 44 44 ILE H H 125 7.952 7.952 7.551 0.401 18084
2415 1 8 . 1 1 45 45 ARG N N 126 118.673 118.673 120.987 -2.314 18084
2416 1 8 . 1 1 45 45 ARG HA H 126 4.063 4.063 4.015 0.048 18084
2417 1 8 . 1 1 45 45 ARG CA C 126 59.825 59.825 59.578 0.247 18084
2418 1 8 . 1 1 45 45 ARG CB C 126 30.427 30.427 30.194 0.233 18084
2419 1 8 . 1 1 45 45 ARG H H 126 8.492 8.492 8.136 0.356 18084
2420 1 8 . 1 1 46 46 GLU N N 127 116.432 116.432 115.990 0.442 18084
2421 1 8 . 1 1 46 46 GLU HA H 127 4.036 4.036 4.285 -0.249 18084
2422 1 8 . 1 1 46 46 GLU CA C 127 58.676 58.676 56.793 1.883 18084
2423 1 8 . 1 1 46 46 GLU CB C 127 29.842 29.842 30.122 -0.280 18084
2424 1 8 . 1 1 46 46 GLU H H 127 7.944 7.944 7.693 0.251 18084
2425 1 8 . 1 1 47 47 ALA N N 128 118.021 118.021 121.076 -3.055 18084
2426 1 8 . 1 1 47 47 ALA HA H 128 4.466 4.466 4.338 0.128 18084
2427 1 8 . 1 1 47 47 ALA CA C 128 51.798 51.798 52.498 -0.700 18084
2428 1 8 . 1 1 47 47 ALA CB C 128 22.115 22.115 20.154 1.961 18084
2429 1 8 . 1 1 47 47 ALA H H 128 7.195 7.195 7.112 0.083 18084
2430 1 8 . 1 1 48 48 ASP N N 129 117.984 117.984 118.739 -0.755 18084
2431 1 8 . 1 1 48 48 ASP HA H 129 4.494 4.494 4.687 -0.193 18084
2432 1 8 . 1 1 48 48 ASP CA C 129 54.472 54.472 55.475 -1.003 18084
2433 1 8 . 1 1 48 48 ASP CB C 129 40.753 40.753 41.719 -0.966 18084
2434 1 8 . 1 1 48 48 ASP H H 129 8.024 8.024 8.079 -0.055 18084
2435 1 8 . 1 1 49 49 ILE N N 130 127.861 127.861 124.855 3.006 18084
2436 1 8 . 1 1 49 49 ILE HA H 130 3.918 3.918 4.276 -0.358 18084
2437 1 8 . 1 1 49 49 ILE CA C 130 63.240 63.240 61.455 1.785 18084
2438 1 8 . 1 1 49 49 ILE CB C 130 38.809 38.809 39.645 -0.836 18084
2439 1 8 . 1 1 49 49 ILE H H 130 8.302 8.302 9.519 -1.217 18084
2440 1 8 . 1 1 50 50 ASP N N 131 116.838 116.838 121.714 -4.876 18084
2441 1 8 . 1 1 50 50 ASP HA H 131 4.541 4.541 4.545 -0.004 18084
2442 1 8 . 1 1 50 50 ASP CA C 131 54.045 54.045 54.996 -0.951 18084
2443 1 8 . 1 1 50 50 ASP CB C 131 39.947 39.947 41.608 -1.661 18084
2444 1 8 . 1 1 50 50 ASP H H 131 8.350 8.350 9.107 -0.757 18084
2445 1 8 . 1 1 51 51 GLY N N 132 108.737 108.737 108.658 0.079 18084
2446 1 8 . 1 1 51 51 GLY CA C 132 47.528 47.528 45.230 2.298 18084
2447 1 8 . 1 1 51 51 GLY H H 132 7.634 7.634 8.572 -0.938 18084
2448 1 8 . 1 1 52 52 ASP N N 133 120.912 120.912 121.949 -1.037 18084
2449 1 8 . 1 1 52 52 ASP HA H 133 4.486 4.486 4.495 -0.009 18084
2450 1 8 . 1 1 52 52 ASP CA C 133 53.799 53.799 54.579 -0.780 18084
2451 1 8 . 1 1 52 52 ASP CB C 133 40.223 40.223 41.384 -1.161 18084
2452 1 8 . 1 1 52 52 ASP H H 133 8.390 8.390 8.578 -0.188 18084
2453 1 8 . 1 1 53 53 GLY N N 134 112.792 112.792 108.707 4.085 18084
2454 1 8 . 1 1 53 53 GLY CA C 134 45.957 45.957 45.003 0.954 18084
2455 1 8 . 1 1 53 53 GLY H H 134 10.276 10.276 8.276 2.000 18084
2456 1 8 . 1 1 54 54 GLN N N 135 115.190 115.190 117.967 -2.777 18084
2457 1 8 . 1 1 54 54 GLN HA H 135 4.960 4.960 4.631 0.329 18084
2458 1 8 . 1 1 54 54 GLN CA C 135 53.311 53.311 53.836 -0.525 18084
2459 1 8 . 1 1 54 54 GLN CB C 135 32.662 32.662 32.854 -0.192 18084
2460 1 8 . 1 1 54 54 GLN H H 135 7.993 7.993 7.742 0.251 18084
2461 1 8 . 1 1 55 55 VAL N N 136 125.623 125.623 120.583 5.040 18084
2462 1 8 . 1 1 55 55 VAL HA H 136 5.230 5.230 4.514 0.716 18084
2463 1 8 . 1 1 55 55 VAL CA C 136 61.782 61.782 61.820 -0.038 18084
2464 1 8 . 1 1 55 55 VAL CB C 136 33.899 33.899 30.599 3.300 18084
2465 1 8 . 1 1 55 55 VAL H H 136 9.081 9.081 8.103 0.978 18084
2466 1 8 . 1 1 56 56 ASN N N 137 129.390 129.390 125.626 3.764 18084
2467 1 8 . 1 1 56 56 ASN HA H 137 5.331 5.331 5.381 -0.050 18084
2468 1 8 . 1 1 56 56 ASN CA C 137 51.131 51.131 50.647 0.484 18084
2469 1 8 . 1 1 56 56 ASN CB C 137 38.423 38.423 40.053 -1.630 18084
2470 1 8 . 1 1 56 56 ASN H H 137 9.602 9.602 8.380 1.222 18084
2471 1 8 . 1 1 57 57 TYR N N 138 118.471 118.471 120.952 -2.481 18084
2472 1 8 . 1 1 57 57 TYR HA H 138 3.400 3.400 3.069 0.331 18084
2473 1 8 . 1 1 57 57 TYR CA C 138 62.542 62.542 63.424 -0.882 18084
2474 1 8 . 1 1 57 57 TYR CB C 138 37.957 37.957 38.430 -0.473 18084
2475 1 8 . 1 1 57 57 TYR H H 138 8.361 8.361 8.860 -0.499 18084
2476 1 8 . 1 1 58 58 GLU N N 139 118.571 118.571 117.843 0.728 18084
2477 1 8 . 1 1 58 58 GLU HA H 139 3.634 3.634 3.916 -0.282 18084
2478 1 8 . 1 1 58 58 GLU CA C 139 60.285 60.285 59.985 0.300 18084
2479 1 8 . 1 1 58 58 GLU CB C 139 28.798 28.798 28.887 -0.089 18084
2480 1 8 . 1 1 58 58 GLU H H 139 8.061 8.061 8.301 -0.240 18084
2481 1 8 . 1 1 59 59 GLU N N 140 119.901 119.901 120.598 -0.697 18084
2482 1 8 . 1 1 59 59 GLU HA H 140 3.882 3.882 4.026 -0.144 18084
2483 1 8 . 1 1 59 59 GLU CA C 140 58.783 58.783 59.122 -0.339 18084
2484 1 8 . 1 1 59 59 GLU CB C 140 29.693 29.693 29.653 0.040 18084
2485 1 8 . 1 1 59 59 GLU H H 140 8.699 8.699 9.050 -0.351 18084
2486 1 8 . 1 1 60 60 PHE N N 141 123.530 123.530 121.674 1.856 18084
2487 1 8 . 1 1 60 60 PHE HA H 141 3.555 3.555 4.161 -0.606 18084
2488 1 8 . 1 1 60 60 PHE CA C 141 61.934 61.934 61.795 0.139 18084
2489 1 8 . 1 1 60 60 PHE CB C 141 40.046 40.046 39.118 0.928 18084
2490 1 8 . 1 1 60 60 PHE H H 141 8.604 8.604 8.726 -0.122 18084
2491 1 8 . 1 1 61 61 VAL N N 142 119.574 119.574 119.436 0.138 18084
2492 1 8 . 1 1 61 61 VAL HA H 142 3.039 3.039 3.409 -0.370 18084
2493 1 8 . 1 1 61 61 VAL CA C 142 67.003 67.003 66.867 0.136 18084
2494 1 8 . 1 1 61 61 VAL CB C 142 31.519 31.519 31.346 0.173 18084
2495 1 8 . 1 1 61 61 VAL H H 142 8.728 8.728 8.021 0.707 18084
2496 1 8 . 1 1 62 62 GLN N N 143 118.463 118.463 119.071 -0.608 18084
2497 1 8 . 1 1 62 62 GLN HA H 143 3.836 3.836 3.900 -0.064 18084
2498 1 8 . 1 1 62 62 GLN CA C 143 58.888 58.888 59.022 -0.134 18084
2499 1 8 . 1 1 62 62 GLN CB C 143 28.024 28.024 28.834 -0.810 18084
2500 1 8 . 1 1 62 62 GLN H H 143 7.528 7.528 7.900 -0.372 18084
2501 1 8 . 1 1 63 63 MET N N 144 117.042 117.042 118.078 -1.036 18084
2502 1 8 . 1 1 63 63 MET HA H 144 4.188 4.188 4.132 0.056 18084
2503 1 8 . 1 1 63 63 MET CA C 144 56.830 56.830 58.313 -1.484 18084
2504 1 8 . 1 1 63 63 MET CB C 144 31.919 31.919 32.580 -0.661 18084
2505 1 8 . 1 1 63 63 MET H H 144 7.299 7.299 8.194 -0.895 18084
2506 1 8 . 1 1 64 64 MET N N 145 115.614 115.614 118.790 -3.176 18084
2507 1 8 . 1 1 64 64 MET HA H 145 4.297 4.297 4.168 0.129 18084
2508 1 8 . 1 1 64 64 MET CA C 145 55.443 55.443 57.636 -2.193 18084
2509 1 8 . 1 1 64 64 MET CB C 145 33.556 33.556 32.754 0.802 18084
2510 1 8 . 1 1 64 64 MET H H 145 7.727 7.727 8.169 -0.442 18084
2511 1 8 . 1 1 65 65 THR N N 146 110.331 110.331 115.317 -4.986 18084
2512 1 8 . 1 1 65 65 THR HA H 146 4.283 4.283 4.375 -0.092 18084
2513 1 8 . 1 1 65 65 THR CA C 146 62.323 62.323 61.078 1.245 18084
2514 1 8 . 1 1 65 65 THR CB C 146 70.214 70.214 67.122 3.092 18084
2515 1 8 . 1 1 65 65 THR H H 146 7.591 7.591 7.879 -0.288 18084
2516 1 8 . 1 1 66 66 ALA N N 147 126.381 126.381 125.332 1.049 18084
2517 1 8 . 1 1 66 66 ALA HA H 147 4.319 4.319 4.289 0.030 18084
2518 1 8 . 1 1 66 66 ALA CA C 147 52.896 52.896 52.526 0.370 18084
2519 1 8 . 1 1 66 66 ALA CB C 147 19.066 19.066 18.766 0.300 18084
2520 1 8 . 1 1 66 66 ALA H H 147 7.564 7.564 7.336 0.228 18084
2521 1 9 . 1 1 2 2 GLU N N 83 119.694 119.694 121.167 -1.473 18084
2522 1 9 . 1 1 2 2 GLU HA H 83 4.059 4.059 4.012 0.047 18084
2523 1 9 . 1 1 2 2 GLU CA C 83 59.784 59.784 58.968 0.816 18084
2524 1 9 . 1 1 2 2 GLU CB C 83 29.191 29.191 29.461 -0.270 18084
2525 1 9 . 1 1 2 2 GLU H H 83 8.307 8.307 8.885 -0.578 18084
2526 1 9 . 1 1 3 3 GLU N N 84 120.715 120.715 119.565 1.150 18084
2527 1 9 . 1 1 3 3 GLU HA H 84 4.064 4.064 4.060 0.004 18084
2528 1 9 . 1 1 3 3 GLU CA C 84 59.505 59.505 59.615 -0.110 18084
2529 1 9 . 1 1 3 3 GLU CB C 84 30.028 30.028 29.419 0.609 18084
2530 1 9 . 1 1 3 3 GLU H H 84 7.675 7.675 8.715 -1.040 18084
2531 1 9 . 1 1 4 4 ILE N N 85 121.349 121.349 118.078 3.271 18084
2532 1 9 . 1 1 4 4 ILE HA H 85 3.866 3.866 3.782 0.084 18084
2533 1 9 . 1 1 4 4 ILE CA C 85 65.483 65.483 64.248 1.235 18084
2534 1 9 . 1 1 4 4 ILE CB C 85 37.465 37.465 37.534 -0.069 18084
2535 1 9 . 1 1 4 4 ILE H H 85 7.940 7.940 7.351 0.589 18084
2536 1 9 . 1 1 5 5 ARG N N 86 122.126 122.126 120.785 1.341 18084
2537 1 9 . 1 1 5 5 ARG HA H 86 4.223 4.223 4.193 0.030 18084
2538 1 9 . 1 1 5 5 ARG CA C 86 60.172 60.172 60.002 0.170 18084
2539 1 9 . 1 1 5 5 ARG CB C 86 29.624 29.624 30.080 -0.456 18084
2540 1 9 . 1 1 5 5 ARG H H 86 8.535 8.535 7.883 0.652 18084
2541 1 9 . 1 1 6 6 GLU N N 87 118.362 118.362 119.410 -1.048 18084
2542 1 9 . 1 1 6 6 GLU HA H 87 4.067 4.067 4.144 -0.077 18084
2543 1 9 . 1 1 6 6 GLU CA C 87 59.261 59.261 59.289 -0.028 18084
2544 1 9 . 1 1 6 6 GLU CB C 87 29.515 29.515 29.820 -0.305 18084
2545 1 9 . 1 1 6 6 GLU H H 87 8.232 8.232 8.511 -0.279 18084
2546 1 9 . 1 1 7 7 ALA N N 88 121.569 121.569 122.379 -0.810 18084
2547 1 9 . 1 1 7 7 ALA HA H 88 4.205 4.205 4.098 0.107 18084
2548 1 9 . 1 1 7 7 ALA CA C 88 55.505 55.505 55.145 0.360 18084
2549 1 9 . 1 1 7 7 ALA CB C 88 17.919 17.919 18.053 -0.134 18084
2550 1 9 . 1 1 7 7 ALA H H 88 8.011 8.011 7.898 0.113 18084
2551 1 9 . 1 1 8 8 PHE N N 89 119.066 119.066 119.683 -0.617 18084
2552 1 9 . 1 1 8 8 PHE HA H 89 3.295 3.295 3.539 -0.244 18084
2553 1 9 . 1 1 8 8 PHE CA C 89 62.428 62.428 61.562 0.866 18084
2554 1 9 . 1 1 8 8 PHE CB C 89 39.058 39.058 39.205 -0.147 18084
2555 1 9 . 1 1 8 8 PHE H H 89 8.682 8.682 8.132 0.550 18084
2556 1 9 . 1 1 9 9 ARG N N 90 115.506 115.506 119.032 -3.526 18084
2557 1 9 . 1 1 9 9 ARG HA H 90 3.894 3.894 4.058 -0.164 18084
2558 1 9 . 1 1 9 9 ARG CA C 90 58.779 58.779 58.564 0.215 18084
2559 1 9 . 1 1 9 9 ARG CB C 90 30.526 30.526 29.550 0.976 18084
2560 1 9 . 1 1 9 9 ARG H H 90 7.803 7.803 7.589 0.214 18084
2561 1 9 . 1 1 10 10 VAL N N 91 118.528 118.528 119.076 -0.548 18084
2562 1 9 . 1 1 10 10 VAL HA H 91 3.498 3.498 3.789 -0.291 18084
2563 1 9 . 1 1 10 10 VAL CA C 91 65.886 65.886 66.702 -0.816 18084
2564 1 9 . 1 1 10 10 VAL CB C 91 31.135 31.135 31.569 -0.434 18084
2565 1 9 . 1 1 10 10 VAL H H 91 7.457 7.457 8.005 -0.548 18084
2566 1 9 . 1 1 11 11 PHE N N 92 114.999 114.999 119.878 -4.879 18084
2567 1 9 . 1 1 11 11 PHE HA H 92 4.182 4.182 4.265 -0.083 18084
2568 1 9 . 1 1 11 11 PHE CA C 92 60.728 60.728 58.999 1.729 18084
2569 1 9 . 1 1 11 11 PHE CB C 92 41.596 41.596 38.688 2.908 18084
2570 1 9 . 1 1 11 11 PHE H H 92 7.119 7.119 8.418 -1.299 18084
2571 1 9 . 1 1 12 12 ASP N N 93 116.105 116.105 117.612 -1.507 18084
2572 1 9 . 1 1 12 12 ASP HA H 93 4.609 4.609 4.814 -0.205 18084
2573 1 9 . 1 1 12 12 ASP CA C 93 52.575 52.575 53.371 -0.796 18084
2574 1 9 . 1 1 12 12 ASP CB C 93 38.699 38.699 40.009 -1.310 18084
2575 1 9 . 1 1 12 12 ASP H H 93 7.966 7.966 7.888 0.078 18084
2576 1 9 . 1 1 13 13 LYS N N 94 126.306 126.306 127.174 -0.868 18084
2577 1 9 . 1 1 13 13 LYS HA H 94 3.956 3.956 4.315 -0.359 18084
2578 1 9 . 1 1 13 13 LYS CA C 94 59.124 59.124 57.844 1.280 18084
2579 1 9 . 1 1 13 13 LYS CB C 94 32.783 32.783 32.974 -0.191 18084
2580 1 9 . 1 1 13 13 LYS H H 94 7.912 7.912 8.718 -0.806 18084
2581 1 9 . 1 1 14 14 ASP N N 95 114.408 114.408 117.984 -3.576 18084
2582 1 9 . 1 1 14 14 ASP HA H 95 4.574 4.574 4.430 0.144 18084
2583 1 9 . 1 1 14 14 ASP CA C 95 53.094 53.094 55.120 -2.026 18084
2584 1 9 . 1 1 14 14 ASP CB C 95 39.625 39.625 41.252 -1.627 18084
2585 1 9 . 1 1 14 14 ASP H H 95 8.210 8.210 8.060 0.150 18084
2586 1 9 . 1 1 15 15 GLY N N 96 109.216 109.216 109.644 -0.428 18084
2587 1 9 . 1 1 15 15 GLY CA C 96 47.204 47.204 45.137 2.067 18084
2588 1 9 . 1 1 15 15 GLY H H 96 7.789 7.789 8.682 -0.893 18084
2589 1 9 . 1 1 16 16 ASN N N 97 119.756 119.756 118.529 1.227 18084
2590 1 9 . 1 1 16 16 ASN HA H 97 4.670 4.670 4.715 -0.045 18084
2591 1 9 . 1 1 16 16 ASN CA C 97 52.817 52.817 52.506 0.311 18084
2592 1 9 . 1 1 16 16 ASN CB C 97 38.260 38.260 39.511 -1.251 18084
2593 1 9 . 1 1 16 16 ASN H H 97 8.376 8.376 8.463 -0.087 18084
2594 1 9 . 1 1 17 17 GLY N N 98 112.788 112.788 108.806 3.982 18084
2595 1 9 . 1 1 17 17 GLY CA C 98 45.075 45.075 45.423 -0.348 18084
2596 1 9 . 1 1 17 17 GLY H H 98 10.652 10.652 8.996 1.656 18084
2597 1 9 . 1 1 18 18 TYR N N 99 116.107 116.107 116.690 -0.583 18084
2598 1 9 . 1 1 18 18 TYR HA H 99 5.061 5.061 4.919 0.142 18084
2599 1 9 . 1 1 18 18 TYR CA C 99 56.262 56.262 56.209 0.054 18084
2600 1 9 . 1 1 18 18 TYR CB C 99 43.007 43.007 41.841 1.166 18084
2601 1 9 . 1 1 18 18 TYR H H 99 7.674 7.674 7.375 0.299 18084
2602 1 9 . 1 1 19 19 ILE N N 100 127.280 127.280 123.158 4.122 18084
2603 1 9 . 1 1 19 19 ILE HA H 100 4.720 4.720 4.036 0.684 18084
2604 1 9 . 1 1 19 19 ILE CA C 100 61.231 61.231 61.354 -0.123 18084
2605 1 9 . 1 1 19 19 ILE CB C 100 39.342 39.342 37.313 2.029 18084
2606 1 9 . 1 1 19 19 ILE H H 100 10.172 10.172 8.739 1.433 18084
2607 1 9 . 1 1 20 20 SER N N 101 123.721 123.721 123.343 0.378 18084
2608 1 9 . 1 1 20 20 SER HA H 101 4.959 4.959 4.557 0.402 18084
2609 1 9 . 1 1 20 20 SER CA C 101 55.629 55.629 56.865 -1.236 18084
2610 1 9 . 1 1 20 20 SER CB C 101 66.984 66.984 64.953 2.031 18084
2611 1 9 . 1 1 20 20 SER H H 101 8.978 8.978 8.352 0.626 18084
2612 1 9 . 1 1 21 21 ALA N N 102 123.086 123.086 128.504 -5.418 18084
2613 1 9 . 1 1 21 21 ALA HA H 102 3.920 3.920 4.021 -0.101 18084
2614 1 9 . 1 1 21 21 ALA CA C 102 55.987 55.987 55.256 0.731 18084
2615 1 9 . 1 1 21 21 ALA CB C 102 18.036 18.036 18.561 -0.525 18084
2616 1 9 . 1 1 21 21 ALA H H 102 9.212 9.212 9.028 0.184 18084
2617 1 9 . 1 1 22 22 ALA N N 103 118.515 118.515 120.554 -2.039 18084
2618 1 9 . 1 1 22 22 ALA HA H 103 4.066 4.066 3.958 0.108 18084
2619 1 9 . 1 1 22 22 ALA CA C 103 55.277 55.277 54.828 0.449 18084
2620 1 9 . 1 1 22 22 ALA CB C 103 18.403 18.403 18.351 0.052 18084
2621 1 9 . 1 1 22 22 ALA H H 103 8.234 8.234 7.829 0.405 18084
2622 1 9 . 1 1 23 23 GLU N N 104 120.368 120.368 118.106 2.262 18084
2623 1 9 . 1 1 23 23 GLU HA H 104 4.052 4.052 4.024 0.028 18084
2624 1 9 . 1 1 23 23 GLU CA C 104 59.617 59.617 58.836 0.782 18084
2625 1 9 . 1 1 23 23 GLU CB C 104 29.263 29.263 29.335 -0.072 18084
2626 1 9 . 1 1 23 23 GLU H H 104 7.863 7.863 8.336 -0.473 18084
2627 1 9 . 1 1 24 24 LEU N N 105 121.416 121.416 121.314 0.102 18084
2628 1 9 . 1 1 24 24 LEU HA H 105 4.187 4.187 3.921 0.266 18084
2629 1 9 . 1 1 24 24 LEU CA C 105 58.561 58.561 57.513 1.048 18084
2630 1 9 . 1 1 24 24 LEU CB C 105 42.122 42.122 41.931 0.191 18084
2631 1 9 . 1 1 24 24 LEU H H 105 8.502 8.502 8.315 0.187 18084
2632 1 9 . 1 1 25 25 ARG N N 106 118.344 118.344 118.478 -0.134 18084
2633 1 9 . 1 1 25 25 ARG HA H 106 3.710 3.710 3.878 -0.168 18084
2634 1 9 . 1 1 25 25 ARG CA C 106 60.063 60.063 59.827 0.236 18084
2635 1 9 . 1 1 25 25 ARG CB C 106 30.399 30.399 29.648 0.751 18084
2636 1 9 . 1 1 25 25 ARG H H 106 8.691 8.691 8.313 0.378 18084
2637 1 9 . 1 1 26 26 HIS N N 107 119.487 119.487 119.396 0.091 18084
2638 1 9 . 1 1 26 26 HIS HA H 107 4.307 4.307 4.326 -0.019 18084
2639 1 9 . 1 1 26 26 HIS CA C 107 60.105 60.105 59.589 0.516 18084
2640 1 9 . 1 1 26 26 HIS CB C 107 30.761 30.761 29.984 0.777 18084
2641 1 9 . 1 1 26 26 HIS H H 107 7.960 7.960 7.510 0.450 18084
2642 1 9 . 1 1 27 27 VAL N N 108 119.546 119.546 119.597 -0.051 18084
2643 1 9 . 1 1 27 27 VAL HA H 108 3.513 3.513 3.447 0.066 18084
2644 1 9 . 1 1 27 27 VAL CA C 108 66.746 66.746 65.907 0.839 18084
2645 1 9 . 1 1 27 27 VAL CB C 108 31.783 31.783 31.250 0.534 18084
2646 1 9 . 1 1 27 27 VAL H H 108 7.896 7.896 7.297 0.599 18084
2647 1 9 . 1 1 28 28 MET N N 109 115.613 115.613 118.757 -3.144 18084
2648 1 9 . 1 1 28 28 MET HA H 109 4.359 4.359 4.074 0.285 18084
2649 1 9 . 1 1 28 28 MET CA C 109 57.020 57.020 59.107 -2.087 18084
2650 1 9 . 1 1 28 28 MET CB C 109 29.108 29.108 32.267 -3.159 18084
2651 1 9 . 1 1 28 28 MET H H 109 8.348 8.348 8.230 0.118 18084
2652 1 9 . 1 1 29 29 THR N N 110 116.414 116.414 112.078 4.336 18084
2653 1 9 . 1 1 29 29 THR HA H 110 4.115 4.115 3.882 0.233 18084
2654 1 9 . 1 1 29 29 THR CA C 110 66.511 66.511 65.850 0.661 18084
2655 1 9 . 1 1 29 29 THR CB C 110 68.667 68.667 68.268 0.399 18084
2656 1 9 . 1 1 29 29 THR H H 110 8.318 8.318 8.160 0.158 18084
2657 1 9 . 1 1 30 30 ASN N N 111 123.002 123.002 119.277 3.725 18084
2658 1 9 . 1 1 30 30 ASN HA H 111 4.476 4.476 4.487 -0.011 18084
2659 1 9 . 1 1 30 30 ASN CA C 111 55.892 55.892 55.107 0.785 18084
2660 1 9 . 1 1 30 30 ASN CB C 111 38.279 38.279 38.473 -0.194 18084
2661 1 9 . 1 1 30 30 ASN H H 111 7.792 7.792 7.586 0.206 18084
2662 1 9 . 1 1 31 31 LEU N N 112 119.010 119.010 119.668 -0.658 18084
2663 1 9 . 1 1 31 31 LEU HA H 112 4.331 4.331 4.210 0.121 18084
2664 1 9 . 1 1 31 31 LEU CA C 112 55.619 55.619 56.238 -0.619 18084
2665 1 9 . 1 1 31 31 LEU CB C 112 42.190 42.190 42.441 -0.251 18084
2666 1 9 . 1 1 31 31 LEU H H 112 7.788 7.788 7.729 0.059 18084
2667 1 9 . 1 1 32 32 GLY N N 113 106.844 106.844 105.673 1.171 18084
2668 1 9 . 1 1 32 32 GLY CA C 113 45.330 45.330 45.012 0.318 18084
2669 1 9 . 1 1 32 32 GLY H H 113 7.816 7.816 7.131 0.685 18084
2670 1 9 . 1 1 33 33 GLU N N 114 120.325 120.325 124.052 -3.727 18084
2671 1 9 . 1 1 33 33 GLU HA H 114 4.454 4.454 4.268 0.186 18084
2672 1 9 . 1 1 33 33 GLU CA C 114 55.014 55.014 55.922 -0.908 18084
2673 1 9 . 1 1 33 33 GLU CB C 114 30.494 30.494 29.140 1.354 18084
2674 1 9 . 1 1 33 33 GLU H H 114 7.888 7.888 8.472 -0.584 18084
2675 1 9 . 1 1 34 34 LYS N N 115 125.103 125.103 124.873 0.230 18084
2676 1 9 . 1 1 34 34 LYS HA H 115 4.401 4.401 4.232 0.169 18084
2677 1 9 . 1 1 34 34 LYS CA C 115 55.500 55.500 56.497 -0.997 18084
2678 1 9 . 1 1 34 34 LYS CB C 115 31.970 31.970 32.867 -0.897 18084
2679 1 9 . 1 1 34 34 LYS H H 115 8.576 8.576 8.256 0.320 18084
2680 1 9 . 1 1 35 35 LEU N N 116 124.861 124.861 126.352 -1.491 18084
2681 1 9 . 1 1 35 35 LEU HA H 116 4.759 4.759 4.740 0.019 18084
2682 1 9 . 1 1 35 35 LEU CA C 116 54.130 54.130 52.988 1.142 18084
2683 1 9 . 1 1 35 35 LEU CB C 116 44.629 44.629 44.584 0.046 18084
2684 1 9 . 1 1 35 35 LEU H H 116 8.002 8.002 8.582 -0.580 18084
2685 1 9 . 1 1 36 36 THR N N 117 114.594 114.594 112.812 1.782 18084
2686 1 9 . 1 1 36 36 THR HA H 117 4.601 4.601 4.345 0.256 18084
2687 1 9 . 1 1 36 36 THR CA C 117 60.777 60.777 61.058 -0.281 18084
2688 1 9 . 1 1 36 36 THR CB C 117 71.180 71.180 70.393 0.787 18084
2689 1 9 . 1 1 36 36 THR H H 117 9.238 9.238 9.371 -0.133 18084
2690 1 9 . 1 1 37 37 ASP N N 118 121.017 121.017 120.876 0.141 18084
2691 1 9 . 1 1 37 37 ASP HA H 118 4.216 4.216 4.310 -0.094 18084
2692 1 9 . 1 1 37 37 ASP CA C 118 58.138 58.138 58.434 -0.296 18084
2693 1 9 . 1 1 37 37 ASP CB C 118 39.658 39.658 40.882 -1.224 18084
2694 1 9 . 1 1 37 37 ASP H H 118 8.854 8.854 8.825 0.029 18084
2695 1 9 . 1 1 38 38 GLU N N 119 119.262 119.262 118.376 0.886 18084
2696 1 9 . 1 1 38 38 GLU HA H 119 4.113 4.113 4.110 0.003 18084
2697 1 9 . 1 1 38 38 GLU CA C 119 59.919 59.919 59.489 0.430 18084
2698 1 9 . 1 1 38 38 GLU CB C 119 29.132 29.132 29.313 -0.181 18084
2699 1 9 . 1 1 38 38 GLU H H 119 8.629 8.629 8.772 -0.143 18084
2700 1 9 . 1 1 39 39 GLU N N 120 118.567 118.567 120.312 -1.745 18084
2701 1 9 . 1 1 39 39 GLU HA H 120 4.074 4.074 4.100 -0.026 18084
2702 1 9 . 1 1 39 39 GLU CA C 120 59.391 59.391 59.197 0.194 18084
2703 1 9 . 1 1 39 39 GLU CB C 120 30.211 30.211 29.742 0.469 18084
2704 1 9 . 1 1 39 39 GLU H H 120 8.097 8.097 7.559 0.538 18084
2705 1 9 . 1 1 40 40 VAL N N 121 120.686 120.686 120.052 0.634 18084
2706 1 9 . 1 1 40 40 VAL HA H 121 3.465 3.465 3.655 -0.190 18084
2707 1 9 . 1 1 40 40 VAL CA C 121 66.809 66.809 67.018 -0.209 18084
2708 1 9 . 1 1 40 40 VAL CB C 121 31.587 31.587 31.512 0.075 18084
2709 1 9 . 1 1 40 40 VAL H H 121 7.969 7.969 8.509 -0.540 18084
2710 1 9 . 1 1 41 41 ASP N N 122 119.330 119.330 120.360 -1.030 18084
2711 1 9 . 1 1 41 41 ASP HA H 122 4.348 4.348 4.302 0.046 18084
2712 1 9 . 1 1 41 41 ASP CA C 122 57.868 57.868 57.716 0.152 18084
2713 1 9 . 1 1 41 41 ASP CB C 122 40.541 40.541 40.813 -0.272 18084
2714 1 9 . 1 1 41 41 ASP H H 122 7.972 7.972 8.298 -0.326 18084
2715 1 9 . 1 1 42 42 GLU N N 123 119.682 119.682 119.880 -0.198 18084
2716 1 9 . 1 1 42 42 GLU HA H 123 3.975 3.975 3.956 0.019 18084
2717 1 9 . 1 1 42 42 GLU CA C 123 59.521 59.521 59.250 0.271 18084
2718 1 9 . 1 1 42 42 GLU CB C 123 29.566 29.566 29.557 0.009 18084
2719 1 9 . 1 1 42 42 GLU H H 123 8.016 8.016 8.101 -0.085 18084
2720 1 9 . 1 1 43 43 MET N N 124 119.466 119.466 117.447 2.019 18084
2721 1 9 . 1 1 43 43 MET HA H 124 4.123 4.123 4.169 -0.046 18084
2722 1 9 . 1 1 43 43 MET CA C 124 60.111 60.111 59.527 0.584 18084
2723 1 9 . 1 1 43 43 MET CB C 124 33.358 33.358 32.662 0.696 18084
2724 1 9 . 1 1 43 43 MET H H 124 7.825 7.825 7.747 0.078 18084
2725 1 9 . 1 1 44 44 ILE N N 125 119.195 119.195 118.106 1.089 18084
2726 1 9 . 1 1 44 44 ILE HA H 125 3.821 3.821 3.998 -0.177 18084
2727 1 9 . 1 1 44 44 ILE CA C 125 63.732 63.732 61.471 2.261 18084
2728 1 9 . 1 1 44 44 ILE CB C 125 36.277 36.277 37.463 -1.186 18084
2729 1 9 . 1 1 44 44 ILE H H 125 7.952 7.952 7.401 0.551 18084
2730 1 9 . 1 1 45 45 ARG N N 126 118.673 118.673 119.037 -0.364 18084
2731 1 9 . 1 1 45 45 ARG HA H 126 4.063 4.063 4.070 -0.007 18084
2732 1 9 . 1 1 45 45 ARG CA C 126 59.825 59.825 59.438 0.387 18084
2733 1 9 . 1 1 45 45 ARG CB C 126 30.427 30.427 30.115 0.312 18084
2734 1 9 . 1 1 45 45 ARG H H 126 8.492 8.492 8.218 0.274 18084
2735 1 9 . 1 1 46 46 GLU N N 127 116.432 116.432 115.974 0.458 18084
2736 1 9 . 1 1 46 46 GLU HA H 127 4.036 4.036 4.252 -0.216 18084
2737 1 9 . 1 1 46 46 GLU CA C 127 58.676 58.676 56.852 1.824 18084
2738 1 9 . 1 1 46 46 GLU CB C 127 29.842 29.842 30.356 -0.514 18084
2739 1 9 . 1 1 46 46 GLU H H 127 7.944 7.944 7.788 0.156 18084
2740 1 9 . 1 1 47 47 ALA N N 128 118.021 118.021 120.342 -2.321 18084
2741 1 9 . 1 1 47 47 ALA HA H 128 4.466 4.466 4.391 0.075 18084
2742 1 9 . 1 1 47 47 ALA CA C 128 51.798 51.798 52.475 -0.677 18084
2743 1 9 . 1 1 47 47 ALA CB C 128 22.115 22.115 20.355 1.760 18084
2744 1 9 . 1 1 47 47 ALA H H 128 7.195 7.195 7.245 -0.050 18084
2745 1 9 . 1 1 48 48 ASP N N 129 117.984 117.984 119.559 -1.575 18084
2746 1 9 . 1 1 48 48 ASP HA H 129 4.494 4.494 4.828 -0.334 18084
2747 1 9 . 1 1 48 48 ASP CA C 129 54.472 54.472 54.339 0.133 18084
2748 1 9 . 1 1 48 48 ASP CB C 129 40.753 40.753 40.584 0.169 18084
2749 1 9 . 1 1 48 48 ASP H H 129 8.024 8.024 8.292 -0.268 18084
2750 1 9 . 1 1 49 49 ILE N N 130 127.861 127.861 125.800 2.061 18084
2751 1 9 . 1 1 49 49 ILE HA H 130 3.918 3.918 4.079 -0.161 18084
2752 1 9 . 1 1 49 49 ILE CA C 130 63.240 63.240 62.154 1.086 18084
2753 1 9 . 1 1 49 49 ILE CB C 130 38.809 38.809 38.761 0.048 18084
2754 1 9 . 1 1 49 49 ILE H H 130 8.302 8.302 9.077 -0.775 18084
2755 1 9 . 1 1 50 50 ASP N N 131 116.838 116.838 120.726 -3.888 18084
2756 1 9 . 1 1 50 50 ASP HA H 131 4.541 4.541 4.474 0.067 18084
2757 1 9 . 1 1 50 50 ASP CA C 131 54.045 54.045 54.850 -0.805 18084
2758 1 9 . 1 1 50 50 ASP CB C 131 39.947 39.947 41.322 -1.375 18084
2759 1 9 . 1 1 50 50 ASP H H 131 8.350 8.350 8.792 -0.442 18084
2760 1 9 . 1 1 51 51 GLY N N 132 108.737 108.737 109.822 -1.085 18084
2761 1 9 . 1 1 51 51 GLY CA C 132 47.528 47.528 45.498 2.030 18084
2762 1 9 . 1 1 51 51 GLY H H 132 7.634 7.634 8.500 -0.866 18084
2763 1 9 . 1 1 52 52 ASP N N 133 120.912 120.912 120.245 0.667 18084
2764 1 9 . 1 1 52 52 ASP HA H 133 4.486 4.486 4.616 -0.130 18084
2765 1 9 . 1 1 52 52 ASP CA C 133 53.799 53.799 53.794 0.005 18084
2766 1 9 . 1 1 52 52 ASP CB C 133 40.223 40.223 42.679 -2.456 18084
2767 1 9 . 1 1 52 52 ASP H H 133 8.390 8.390 8.723 -0.333 18084
2768 1 9 . 1 1 53 53 GLY N N 134 112.792 112.792 109.879 2.913 18084
2769 1 9 . 1 1 53 53 GLY CA C 134 45.957 45.957 45.116 0.841 18084
2770 1 9 . 1 1 53 53 GLY H H 134 10.276 10.276 9.071 1.205 18084
2771 1 9 . 1 1 54 54 GLN N N 135 115.190 115.190 118.478 -3.288 18084
2772 1 9 . 1 1 54 54 GLN HA H 135 4.960 4.960 4.636 0.324 18084
2773 1 9 . 1 1 54 54 GLN CA C 135 53.311 53.311 53.914 -0.603 18084
2774 1 9 . 1 1 54 54 GLN CB C 135 32.662 32.662 33.236 -0.574 18084
2775 1 9 . 1 1 54 54 GLN H H 135 7.993 7.993 8.064 -0.071 18084
2776 1 9 . 1 1 55 55 VAL N N 136 125.623 125.623 120.063 5.560 18084
2777 1 9 . 1 1 55 55 VAL HA H 136 5.230 5.230 4.461 0.769 18084
2778 1 9 . 1 1 55 55 VAL CA C 136 61.782 61.782 61.592 0.190 18084
2779 1 9 . 1 1 55 55 VAL CB C 136 33.899 33.899 31.495 2.404 18084
2780 1 9 . 1 1 55 55 VAL H H 136 9.081 9.081 8.297 0.784 18084
2781 1 9 . 1 1 56 56 ASN N N 137 129.390 129.390 125.938 3.452 18084
2782 1 9 . 1 1 56 56 ASN HA H 137 5.331 5.331 5.401 -0.070 18084
2783 1 9 . 1 1 56 56 ASN CA C 137 51.131 51.131 51.109 0.022 18084
2784 1 9 . 1 1 56 56 ASN CB C 137 38.423 38.423 40.264 -1.841 18084
2785 1 9 . 1 1 56 56 ASN H H 137 9.602 9.602 8.330 1.272 18084
2786 1 9 . 1 1 57 57 TYR N N 138 118.471 118.471 121.018 -2.547 18084
2787 1 9 . 1 1 57 57 TYR HA H 138 3.400 3.400 3.624 -0.224 18084
2788 1 9 . 1 1 57 57 TYR CA C 138 62.542 62.542 63.266 -0.724 18084
2789 1 9 . 1 1 57 57 TYR CB C 138 37.957 37.957 38.279 -0.322 18084
2790 1 9 . 1 1 57 57 TYR H H 138 8.361 8.361 9.119 -0.758 18084
2791 1 9 . 1 1 58 58 GLU N N 139 118.571 118.571 118.116 0.455 18084
2792 1 9 . 1 1 58 58 GLU HA H 139 3.634 3.634 3.993 -0.359 18084
2793 1 9 . 1 1 58 58 GLU CA C 139 60.285 60.285 60.514 -0.229 18084
2794 1 9 . 1 1 58 58 GLU CB C 139 28.798 28.798 29.069 -0.271 18084
2795 1 9 . 1 1 58 58 GLU H H 139 8.061 8.061 8.816 -0.755 18084
2796 1 9 . 1 1 59 59 GLU N N 140 119.901 119.901 120.407 -0.506 18084
2797 1 9 . 1 1 59 59 GLU HA H 140 3.882 3.882 4.069 -0.187 18084
2798 1 9 . 1 1 59 59 GLU CA C 140 58.783 58.783 59.100 -0.317 18084
2799 1 9 . 1 1 59 59 GLU CB C 140 29.693 29.693 29.568 0.125 18084
2800 1 9 . 1 1 59 59 GLU H H 140 8.699 8.699 9.197 -0.498 18084
2801 1 9 . 1 1 60 60 PHE N N 141 123.530 123.530 121.493 2.037 18084
2802 1 9 . 1 1 60 60 PHE HA H 141 3.555 3.555 4.194 -0.639 18084
2803 1 9 . 1 1 60 60 PHE CA C 141 61.934 61.934 61.340 0.594 18084
2804 1 9 . 1 1 60 60 PHE CB C 141 40.046 40.046 38.972 1.073 18084
2805 1 9 . 1 1 60 60 PHE H H 141 8.604 8.604 8.541 0.063 18084
2806 1 9 . 1 1 61 61 VAL N N 142 119.574 119.574 119.365 0.209 18084
2807 1 9 . 1 1 61 61 VAL HA H 142 3.039 3.039 3.383 -0.344 18084
2808 1 9 . 1 1 61 61 VAL CA C 142 67.003 67.003 66.410 0.593 18084
2809 1 9 . 1 1 61 61 VAL CB C 142 31.519 31.519 31.466 0.052 18084
2810 1 9 . 1 1 61 61 VAL H H 142 8.728 8.728 7.985 0.743 18084
2811 1 9 . 1 1 62 62 GLN N N 143 118.463 118.463 119.338 -0.875 18084
2812 1 9 . 1 1 62 62 GLN HA H 143 3.836 3.836 3.932 -0.096 18084
2813 1 9 . 1 1 62 62 GLN CA C 143 58.888 58.888 58.734 0.154 18084
2814 1 9 . 1 1 62 62 GLN CB C 143 28.024 28.024 28.628 -0.604 18084
2815 1 9 . 1 1 62 62 GLN H H 143 7.528 7.528 8.319 -0.791 18084
2816 1 9 . 1 1 63 63 MET N N 144 117.042 117.042 117.595 -0.553 18084
2817 1 9 . 1 1 63 63 MET HA H 144 4.188 4.188 4.088 0.100 18084
2818 1 9 . 1 1 63 63 MET CA C 144 56.830 56.830 58.245 -1.415 18084
2819 1 9 . 1 1 63 63 MET CB C 144 31.919 31.919 32.706 -0.787 18084
2820 1 9 . 1 1 63 63 MET H H 144 7.299 7.299 8.028 -0.729 18084
2821 1 9 . 1 1 64 64 MET N N 145 115.614 115.614 116.858 -1.244 18084
2822 1 9 . 1 1 64 64 MET HA H 145 4.297 4.297 4.188 0.109 18084
2823 1 9 . 1 1 64 64 MET CA C 145 55.443 55.443 58.397 -2.954 18084
2824 1 9 . 1 1 64 64 MET CB C 145 33.556 33.556 33.202 0.354 18084
2825 1 9 . 1 1 64 64 MET H H 145 7.727 7.727 7.554 0.173 18084
2826 1 9 . 1 1 65 65 THR N N 146 110.331 110.331 115.926 -5.595 18084
2827 1 9 . 1 1 65 65 THR HA H 146 4.283 4.283 4.353 -0.070 18084
2828 1 9 . 1 1 65 65 THR CA C 146 62.323 62.323 61.501 0.822 18084
2829 1 9 . 1 1 65 65 THR CB C 146 70.214 70.214 66.966 3.248 18084
2830 1 9 . 1 1 65 65 THR H H 146 7.591 7.591 7.924 -0.333 18084
2831 1 9 . 1 1 66 66 ALA N N 147 126.381 126.381 124.863 1.518 18084
2832 1 9 . 1 1 66 66 ALA HA H 147 4.319 4.319 4.492 -0.173 18084
2833 1 9 . 1 1 66 66 ALA CA C 147 52.896 52.896 51.264 1.632 18084
2834 1 9 . 1 1 66 66 ALA CB C 147 19.066 19.066 20.545 -1.479 18084
2835 1 9 . 1 1 66 66 ALA H H 147 7.564 7.564 7.364 0.200 18084
2836 1 10 . 1 1 2 2 GLU N N 83 119.694 119.694 119.903 -0.209 18084
2837 1 10 . 1 1 2 2 GLU HA H 83 4.059 4.059 3.982 0.077 18084
2838 1 10 . 1 1 2 2 GLU CA C 83 59.784 59.784 60.313 -0.529 18084
2839 1 10 . 1 1 2 2 GLU CB C 83 29.191 29.191 29.287 -0.096 18084
2840 1 10 . 1 1 2 2 GLU H H 83 8.307 8.307 8.660 -0.353 18084
2841 1 10 . 1 1 3 3 GLU N N 84 120.715 120.715 119.007 1.708 18084
2842 1 10 . 1 1 3 3 GLU HA H 84 4.064 4.064 4.156 -0.092 18084
2843 1 10 . 1 1 3 3 GLU CA C 84 59.505 59.505 59.235 0.270 18084
2844 1 10 . 1 1 3 3 GLU CB C 84 30.028 30.028 29.063 0.965 18084
2845 1 10 . 1 1 3 3 GLU H H 84 7.675 7.675 8.759 -1.084 18084
2846 1 10 . 1 1 4 4 ILE N N 85 121.349 121.349 119.705 1.644 18084
2847 1 10 . 1 1 4 4 ILE HA H 85 3.866 3.866 3.899 -0.033 18084
2848 1 10 . 1 1 4 4 ILE CA C 85 65.483 65.483 64.337 1.146 18084
2849 1 10 . 1 1 4 4 ILE CB C 85 37.465 37.465 37.704 -0.239 18084
2850 1 10 . 1 1 4 4 ILE H H 85 7.940 7.940 7.271 0.669 18084
2851 1 10 . 1 1 5 5 ARG N N 86 122.126 122.126 120.699 1.427 18084
2852 1 10 . 1 1 5 5 ARG HA H 86 4.223 4.223 4.275 -0.052 18084
2853 1 10 . 1 1 5 5 ARG CA C 86 60.172 60.172 59.990 0.182 18084
2854 1 10 . 1 1 5 5 ARG CB C 86 29.624 29.624 30.334 -0.710 18084
2855 1 10 . 1 1 5 5 ARG H H 86 8.535 8.535 8.080 0.455 18084
2856 1 10 . 1 1 6 6 GLU N N 87 118.362 118.362 118.211 0.151 18084
2857 1 10 . 1 1 6 6 GLU HA H 87 4.067 4.067 4.181 -0.114 18084
2858 1 10 . 1 1 6 6 GLU CA C 87 59.261 59.261 58.659 0.602 18084
2859 1 10 . 1 1 6 6 GLU CB C 87 29.515 29.515 29.256 0.259 18084
2860 1 10 . 1 1 6 6 GLU H H 87 8.232 8.232 8.486 -0.254 18084
2861 1 10 . 1 1 7 7 ALA N N 88 121.569 121.569 122.930 -1.361 18084
2862 1 10 . 1 1 7 7 ALA HA H 88 4.205 4.205 4.237 -0.032 18084
2863 1 10 . 1 1 7 7 ALA CA C 88 55.505 55.505 55.099 0.406 18084
2864 1 10 . 1 1 7 7 ALA CB C 88 17.919 17.919 18.156 -0.237 18084
2865 1 10 . 1 1 7 7 ALA H H 88 8.011 8.011 7.938 0.073 18084
2866 1 10 . 1 1 8 8 PHE N N 89 119.066 119.066 119.534 -0.468 18084
2867 1 10 . 1 1 8 8 PHE HA H 89 3.295 3.295 3.442 -0.147 18084
2868 1 10 . 1 1 8 8 PHE CA C 89 62.428 62.428 61.369 1.059 18084
2869 1 10 . 1 1 8 8 PHE CB C 89 39.058 39.058 38.824 0.234 18084
2870 1 10 . 1 1 8 8 PHE H H 89 8.682 8.682 7.639 1.043 18084
2871 1 10 . 1 1 9 9 ARG N N 90 115.506 115.506 118.988 -3.482 18084
2872 1 10 . 1 1 9 9 ARG HA H 90 3.894 3.894 3.923 -0.029 18084
2873 1 10 . 1 1 9 9 ARG CA C 90 58.779 58.779 58.517 0.262 18084
2874 1 10 . 1 1 9 9 ARG CB C 90 30.526 30.526 29.419 1.107 18084
2875 1 10 . 1 1 9 9 ARG H H 90 7.803 7.803 7.475 0.328 18084
2876 1 10 . 1 1 10 10 VAL N N 91 118.528 118.528 118.510 0.018 18084
2877 1 10 . 1 1 10 10 VAL HA H 91 3.498 3.498 3.804 -0.306 18084
2878 1 10 . 1 1 10 10 VAL CA C 91 65.886 65.886 65.958 -0.072 18084
2879 1 10 . 1 1 10 10 VAL CB C 91 31.135 31.135 31.653 -0.518 18084
2880 1 10 . 1 1 10 10 VAL H H 91 7.457 7.457 7.624 -0.167 18084
2881 1 10 . 1 1 11 11 PHE N N 92 114.999 114.999 117.772 -2.773 18084
2882 1 10 . 1 1 11 11 PHE HA H 92 4.182 4.182 4.232 -0.050 18084
2883 1 10 . 1 1 11 11 PHE CA C 92 60.728 60.728 60.148 0.580 18084
2884 1 10 . 1 1 11 11 PHE CB C 92 41.596 41.596 39.144 2.452 18084
2885 1 10 . 1 1 11 11 PHE H H 92 7.119 7.119 8.102 -0.983 18084
2886 1 10 . 1 1 12 12 ASP N N 93 116.105 116.105 118.427 -2.322 18084
2887 1 10 . 1 1 12 12 ASP HA H 93 4.609 4.609 4.741 -0.132 18084
2888 1 10 . 1 1 12 12 ASP CA C 93 52.575 52.575 52.648 -0.073 18084
2889 1 10 . 1 1 12 12 ASP CB C 93 38.699 38.699 38.790 -0.091 18084
2890 1 10 . 1 1 12 12 ASP H H 93 7.966 7.966 8.033 -0.067 18084
2891 1 10 . 1 1 13 13 LYS N N 94 126.306 126.306 123.884 2.422 18084
2892 1 10 . 1 1 13 13 LYS HA H 94 3.956 3.956 4.007 -0.051 18084
2893 1 10 . 1 1 13 13 LYS CA C 94 59.124 59.124 58.721 0.403 18084
2894 1 10 . 1 1 13 13 LYS CB C 94 32.783 32.783 32.444 0.339 18084
2895 1 10 . 1 1 13 13 LYS H H 94 7.912 7.912 8.047 -0.135 18084
2896 1 10 . 1 1 14 14 ASP N N 95 114.408 114.408 117.102 -2.694 18084
2897 1 10 . 1 1 14 14 ASP HA H 95 4.574 4.574 4.440 0.134 18084
2898 1 10 . 1 1 14 14 ASP CA C 95 53.094 53.094 55.259 -2.165 18084
2899 1 10 . 1 1 14 14 ASP CB C 95 39.625 39.625 41.395 -1.770 18084
2900 1 10 . 1 1 14 14 ASP H H 95 8.210 8.210 8.366 -0.156 18084
2901 1 10 . 1 1 15 15 GLY N N 96 109.216 109.216 110.249 -1.033 18084
2902 1 10 . 1 1 15 15 GLY CA C 96 47.204 47.204 45.393 1.811 18084
2903 1 10 . 1 1 15 15 GLY H H 96 7.789 7.789 8.318 -0.529 18084
2904 1 10 . 1 1 16 16 ASN N N 97 119.756 119.756 119.393 0.363 18084
2905 1 10 . 1 1 16 16 ASN HA H 97 4.670 4.670 4.803 -0.133 18084
2906 1 10 . 1 1 16 16 ASN CA C 97 52.817 52.817 52.554 0.263 18084
2907 1 10 . 1 1 16 16 ASN CB C 97 38.260 38.260 40.089 -1.829 18084
2908 1 10 . 1 1 16 16 ASN H H 97 8.376 8.376 8.909 -0.533 18084
2909 1 10 . 1 1 17 17 GLY N N 98 112.788 112.788 109.035 3.753 18084
2910 1 10 . 1 1 17 17 GLY CA C 98 45.075 45.075 45.569 -0.494 18084
2911 1 10 . 1 1 17 17 GLY H H 98 10.652 10.652 9.203 1.449 18084
2912 1 10 . 1 1 18 18 TYR N N 99 116.107 116.107 117.685 -1.578 18084
2913 1 10 . 1 1 18 18 TYR HA H 99 5.061 5.061 4.881 0.180 18084
2914 1 10 . 1 1 18 18 TYR CA C 99 56.262 56.262 56.761 -0.499 18084
2915 1 10 . 1 1 18 18 TYR CB C 99 43.007 43.007 41.217 1.790 18084
2916 1 10 . 1 1 18 18 TYR H H 99 7.674 7.674 7.838 -0.164 18084
2917 1 10 . 1 1 19 19 ILE N N 100 127.280 127.280 125.829 1.451 18084
2918 1 10 . 1 1 19 19 ILE HA H 100 4.720 4.720 4.106 0.614 18084
2919 1 10 . 1 1 19 19 ILE CA C 100 61.231 61.231 61.694 -0.463 18084
2920 1 10 . 1 1 19 19 ILE CB C 100 39.342 39.342 37.770 1.572 18084
2921 1 10 . 1 1 19 19 ILE H H 100 10.172 10.172 8.814 1.358 18084
2922 1 10 . 1 1 20 20 SER N N 101 123.721 123.721 123.158 0.563 18084
2923 1 10 . 1 1 20 20 SER HA H 101 4.959 4.959 4.654 0.305 18084
2924 1 10 . 1 1 20 20 SER CA C 101 55.629 55.629 56.574 -0.945 18084
2925 1 10 . 1 1 20 20 SER CB C 101 66.984 66.984 65.133 1.851 18084
2926 1 10 . 1 1 20 20 SER H H 101 8.978 8.978 8.214 0.764 18084
2927 1 10 . 1 1 21 21 ALA N N 102 123.086 123.086 127.688 -4.602 18084
2928 1 10 . 1 1 21 21 ALA HA H 102 3.920 3.920 4.045 -0.125 18084
2929 1 10 . 1 1 21 21 ALA CA C 102 55.987 55.987 55.503 0.484 18084
2930 1 10 . 1 1 21 21 ALA CB C 102 18.036 18.036 18.614 -0.578 18084
2931 1 10 . 1 1 21 21 ALA H H 102 9.212 9.212 9.124 0.088 18084
2932 1 10 . 1 1 22 22 ALA N N 103 118.515 118.515 120.175 -1.660 18084
2933 1 10 . 1 1 22 22 ALA HA H 103 4.066 4.066 4.000 0.066 18084
2934 1 10 . 1 1 22 22 ALA CA C 103 55.277 55.277 54.603 0.673 18084
2935 1 10 . 1 1 22 22 ALA CB C 103 18.403 18.403 18.320 0.083 18084
2936 1 10 . 1 1 22 22 ALA H H 103 8.234 8.234 7.922 0.312 18084
2937 1 10 . 1 1 23 23 GLU N N 104 120.368 120.368 117.873 2.495 18084
2938 1 10 . 1 1 23 23 GLU HA H 104 4.052 4.052 4.067 -0.015 18084
2939 1 10 . 1 1 23 23 GLU CA C 104 59.617 59.617 58.714 0.903 18084
2940 1 10 . 1 1 23 23 GLU CB C 104 29.263 29.263 29.423 -0.160 18084
2941 1 10 . 1 1 23 23 GLU H H 104 7.863 7.863 8.232 -0.369 18084
2942 1 10 . 1 1 24 24 LEU N N 105 121.416 121.416 122.286 -0.870 18084
2943 1 10 . 1 1 24 24 LEU HA H 105 4.187 4.187 4.078 0.109 18084
2944 1 10 . 1 1 24 24 LEU CA C 105 58.561 58.561 57.537 1.024 18084
2945 1 10 . 1 1 24 24 LEU CB C 105 42.122 42.122 42.061 0.061 18084
2946 1 10 . 1 1 24 24 LEU H H 105 8.502 8.502 8.606 -0.104 18084
2947 1 10 . 1 1 25 25 ARG N N 106 118.344 118.344 117.243 1.101 18084
2948 1 10 . 1 1 25 25 ARG HA H 106 3.710 3.710 4.066 -0.356 18084
2949 1 10 . 1 1 25 25 ARG CA C 106 60.063 60.063 59.059 1.004 18084
2950 1 10 . 1 1 25 25 ARG CB C 106 30.399 30.399 29.892 0.507 18084
2951 1 10 . 1 1 25 25 ARG H H 106 8.691 8.691 8.259 0.432 18084
2952 1 10 . 1 1 26 26 HIS N N 107 119.487 119.487 118.618 0.869 18084
2953 1 10 . 1 1 26 26 HIS HA H 107 4.307 4.307 4.675 -0.368 18084
2954 1 10 . 1 1 26 26 HIS CA C 107 60.105 60.105 56.933 3.172 18084
2955 1 10 . 1 1 26 26 HIS CB C 107 30.761 30.761 30.585 0.176 18084
2956 1 10 . 1 1 26 26 HIS H H 107 7.960 7.960 7.748 0.212 18084
2957 1 10 . 1 1 27 27 VAL N N 108 119.546 119.546 120.435 -0.889 18084
2958 1 10 . 1 1 27 27 VAL HA H 108 3.513 3.513 3.853 -0.340 18084
2959 1 10 . 1 1 27 27 VAL CA C 108 66.746 66.746 64.426 2.320 18084
2960 1 10 . 1 1 27 27 VAL CB C 108 31.783 31.783 32.282 -0.499 18084
2961 1 10 . 1 1 27 27 VAL H H 108 7.896 7.896 7.747 0.149 18084
2962 1 10 . 1 1 28 28 MET N N 109 115.613 115.613 118.849 -3.236 18084
2963 1 10 . 1 1 28 28 MET HA H 109 4.359 4.359 4.297 0.062 18084
2964 1 10 . 1 1 28 28 MET CA C 109 57.020 57.020 56.899 0.121 18084
2965 1 10 . 1 1 28 28 MET CB C 109 29.108 29.108 31.289 -2.181 18084
2966 1 10 . 1 1 28 28 MET H H 109 8.348 8.348 8.458 -0.110 18084
2967 1 10 . 1 1 29 29 THR N N 110 116.414 116.414 112.285 4.129 18084
2968 1 10 . 1 1 29 29 THR HA H 110 4.115 4.115 4.003 0.112 18084
2969 1 10 . 1 1 29 29 THR CA C 110 66.511 66.511 65.990 0.521 18084
2970 1 10 . 1 1 29 29 THR CB C 110 68.667 68.667 68.108 0.560 18084
2971 1 10 . 1 1 29 29 THR H H 110 8.318 8.318 7.803 0.515 18084
2972 1 10 . 1 1 30 30 ASN N N 111 123.002 123.002 120.018 2.984 18084
2973 1 10 . 1 1 30 30 ASN HA H 111 4.476 4.476 4.542 -0.066 18084
2974 1 10 . 1 1 30 30 ASN CA C 111 55.892 55.892 54.675 1.217 18084
2975 1 10 . 1 1 30 30 ASN CB C 111 38.279 38.279 38.518 -0.239 18084
2976 1 10 . 1 1 30 30 ASN H H 111 7.792 7.792 7.609 0.183 18084
2977 1 10 . 1 1 31 31 LEU N N 112 119.010 119.010 119.420 -0.410 18084
2978 1 10 . 1 1 31 31 LEU HA H 112 4.331 4.331 4.125 0.206 18084
2979 1 10 . 1 1 31 31 LEU CA C 112 55.619 55.619 56.453 -0.834 18084
2980 1 10 . 1 1 31 31 LEU CB C 112 42.190 42.190 42.561 -0.371 18084
2981 1 10 . 1 1 31 31 LEU H H 112 7.788 7.788 7.562 0.226 18084
2982 1 10 . 1 1 32 32 GLY N N 113 106.844 106.844 105.490 1.354 18084
2983 1 10 . 1 1 32 32 GLY CA C 113 45.330 45.330 45.083 0.247 18084
2984 1 10 . 1 1 32 32 GLY H H 113 7.816 7.816 7.546 0.270 18084
2985 1 10 . 1 1 33 33 GLU N N 114 120.325 120.325 124.929 -4.604 18084
2986 1 10 . 1 1 33 33 GLU HA H 114 4.454 4.454 4.258 0.196 18084
2987 1 10 . 1 1 33 33 GLU CA C 114 55.014 55.014 55.725 -0.711 18084
2988 1 10 . 1 1 33 33 GLU CB C 114 30.494 30.494 28.815 1.679 18084
2989 1 10 . 1 1 33 33 GLU H H 114 7.888 7.888 8.445 -0.557 18084
2990 1 10 . 1 1 34 34 LYS N N 115 125.103 125.103 124.374 0.729 18084
2991 1 10 . 1 1 34 34 LYS HA H 115 4.401 4.401 4.217 0.184 18084
2992 1 10 . 1 1 34 34 LYS CA C 115 55.500 55.500 56.176 -0.676 18084
2993 1 10 . 1 1 34 34 LYS CB C 115 31.970 31.970 32.252 -0.281 18084
2994 1 10 . 1 1 34 34 LYS H H 115 8.576 8.576 7.858 0.718 18084
2995 1 10 . 1 1 35 35 LEU N N 116 124.861 124.861 124.920 -0.059 18084
2996 1 10 . 1 1 35 35 LEU HA H 116 4.759 4.759 4.491 0.268 18084
2997 1 10 . 1 1 35 35 LEU CA C 116 54.130 54.130 53.594 0.536 18084
2998 1 10 . 1 1 35 35 LEU CB C 116 44.629 44.629 42.111 2.518 18084
2999 1 10 . 1 1 35 35 LEU H H 116 8.002 8.002 8.272 -0.270 18084
3000 1 10 . 1 1 36 36 THR N N 117 114.594 114.594 110.569 4.025 18084
3001 1 10 . 1 1 36 36 THR HA H 117 4.601 4.601 4.296 0.305 18084
3002 1 10 . 1 1 36 36 THR CA C 117 60.777 60.777 61.025 -0.248 18084
3003 1 10 . 1 1 36 36 THR CB C 117 71.180 71.180 70.012 1.168 18084
3004 1 10 . 1 1 36 36 THR H H 117 9.238 9.238 9.047 0.191 18084
3005 1 10 . 1 1 37 37 ASP N N 118 121.017 121.017 121.220 -0.203 18084
3006 1 10 . 1 1 37 37 ASP HA H 118 4.216 4.216 4.339 -0.123 18084
3007 1 10 . 1 1 37 37 ASP CA C 118 58.138 58.138 57.811 0.327 18084
3008 1 10 . 1 1 37 37 ASP CB C 118 39.658 39.658 40.739 -1.081 18084
3009 1 10 . 1 1 37 37 ASP H H 118 8.854 8.854 8.782 0.072 18084
3010 1 10 . 1 1 38 38 GLU N N 119 119.262 119.262 118.372 0.890 18084
3011 1 10 . 1 1 38 38 GLU HA H 119 4.113 4.113 4.057 0.056 18084
3012 1 10 . 1 1 38 38 GLU CA C 119 59.919 59.919 59.638 0.281 18084
3013 1 10 . 1 1 38 38 GLU CB C 119 29.132 29.132 29.435 -0.303 18084
3014 1 10 . 1 1 38 38 GLU H H 119 8.629 8.629 8.803 -0.174 18084
3015 1 10 . 1 1 39 39 GLU N N 120 118.567 118.567 119.537 -0.970 18084
3016 1 10 . 1 1 39 39 GLU HA H 120 4.074 4.074 4.113 -0.039 18084
3017 1 10 . 1 1 39 39 GLU CA C 120 59.391 59.391 59.056 0.335 18084
3018 1 10 . 1 1 39 39 GLU CB C 120 30.211 30.211 29.792 0.419 18084
3019 1 10 . 1 1 39 39 GLU H H 120 8.097 8.097 7.513 0.584 18084
3020 1 10 . 1 1 40 40 VAL N N 121 120.686 120.686 120.298 0.388 18084
3021 1 10 . 1 1 40 40 VAL HA H 121 3.465 3.465 3.621 -0.156 18084
3022 1 10 . 1 1 40 40 VAL CA C 121 66.809 66.809 67.231 -0.422 18084
3023 1 10 . 1 1 40 40 VAL CB C 121 31.587 31.587 31.520 0.067 18084
3024 1 10 . 1 1 40 40 VAL H H 121 7.969 7.969 8.269 -0.300 18084
3025 1 10 . 1 1 41 41 ASP N N 122 119.330 119.330 120.306 -0.976 18084
3026 1 10 . 1 1 41 41 ASP HA H 122 4.348 4.348 4.278 0.070 18084
3027 1 10 . 1 1 41 41 ASP CA C 122 57.868 57.868 58.026 -0.159 18084
3028 1 10 . 1 1 41 41 ASP CB C 122 40.541 40.541 40.885 -0.344 18084
3029 1 10 . 1 1 41 41 ASP H H 122 7.972 7.972 8.131 -0.159 18084
3030 1 10 . 1 1 42 42 GLU N N 123 119.682 119.682 119.782 -0.100 18084
3031 1 10 . 1 1 42 42 GLU HA H 123 3.975 3.975 4.026 -0.051 18084
3032 1 10 . 1 1 42 42 GLU CA C 123 59.521 59.521 59.220 0.301 18084
3033 1 10 . 1 1 42 42 GLU CB C 123 29.566 29.566 29.674 -0.108 18084
3034 1 10 . 1 1 42 42 GLU H H 123 8.016 8.016 7.712 0.304 18084
3035 1 10 . 1 1 43 43 MET N N 124 119.466 119.466 118.598 0.868 18084
3036 1 10 . 1 1 43 43 MET HA H 124 4.123 4.123 4.078 0.045 18084
3037 1 10 . 1 1 43 43 MET CA C 124 60.111 60.111 59.840 0.271 18084
3038 1 10 . 1 1 43 43 MET CB C 124 33.358 33.358 32.890 0.468 18084
3039 1 10 . 1 1 43 43 MET H H 124 7.825 7.825 8.278 -0.453 18084
3040 1 10 . 1 1 44 44 ILE N N 125 119.195 119.195 118.082 1.113 18084
3041 1 10 . 1 1 44 44 ILE HA H 125 3.821 3.821 3.871 -0.050 18084
3042 1 10 . 1 1 44 44 ILE CA C 125 63.732 63.732 64.520 -0.788 18084
3043 1 10 . 1 1 44 44 ILE CB C 125 36.277 36.277 37.698 -1.421 18084
3044 1 10 . 1 1 44 44 ILE H H 125 7.952 7.952 8.089 -0.137 18084
3045 1 10 . 1 1 45 45 ARG N N 126 118.673 118.673 119.864 -1.191 18084
3046 1 10 . 1 1 45 45 ARG HA H 126 4.063 4.063 4.058 0.005 18084
3047 1 10 . 1 1 45 45 ARG CA C 126 59.825 59.825 59.485 0.340 18084
3048 1 10 . 1 1 45 45 ARG CB C 126 30.427 30.427 30.100 0.327 18084
3049 1 10 . 1 1 45 45 ARG H H 126 8.492 8.492 8.459 0.033 18084
3050 1 10 . 1 1 46 46 GLU N N 127 116.432 116.432 118.475 -2.043 18084
3051 1 10 . 1 1 46 46 GLU HA H 127 4.036 4.036 4.159 -0.123 18084
3052 1 10 . 1 1 46 46 GLU CA C 127 58.676 58.676 58.036 0.640 18084
3053 1 10 . 1 1 46 46 GLU CB C 127 29.842 29.842 29.860 -0.019 18084
3054 1 10 . 1 1 46 46 GLU H H 127 7.944 7.944 8.238 -0.294 18084
3055 1 10 . 1 1 47 47 ALA N N 128 118.021 118.021 118.311 -0.290 18084
3056 1 10 . 1 1 47 47 ALA HA H 128 4.466 4.466 4.459 0.007 18084
3057 1 10 . 1 1 47 47 ALA CA C 128 51.798 51.798 51.247 0.551 18084
3058 1 10 . 1 1 47 47 ALA CB C 128 22.115 22.115 19.862 2.253 18084
3059 1 10 . 1 1 47 47 ALA H H 128 7.195 7.195 7.217 -0.022 18084
3060 1 10 . 1 1 48 48 ASP N N 129 117.984 117.984 118.656 -0.672 18084
3061 1 10 . 1 1 48 48 ASP HA H 129 4.494 4.494 5.023 -0.529 18084
3062 1 10 . 1 1 48 48 ASP CA C 129 54.472 54.472 53.579 0.893 18084
3063 1 10 . 1 1 48 48 ASP CB C 129 40.753 40.753 42.024 -1.271 18084
3064 1 10 . 1 1 48 48 ASP H H 129 8.024 8.024 7.476 0.548 18084
3065 1 10 . 1 1 49 49 ILE N N 130 127.861 127.861 126.097 1.764 18084
3066 1 10 . 1 1 49 49 ILE HA H 130 3.918 3.918 4.228 -0.310 18084
3067 1 10 . 1 1 49 49 ILE CA C 130 63.240 63.240 61.915 1.325 18084
3068 1 10 . 1 1 49 49 ILE CB C 130 38.809 38.809 39.051 -0.242 18084
3069 1 10 . 1 1 49 49 ILE H H 130 8.302 8.302 9.538 -1.236 18084
3070 1 10 . 1 1 50 50 ASP N N 131 116.838 116.838 121.219 -4.381 18084
3071 1 10 . 1 1 50 50 ASP HA H 131 4.541 4.541 4.537 0.003 18084
3072 1 10 . 1 1 50 50 ASP CA C 131 54.045 54.045 54.761 -0.716 18084
3073 1 10 . 1 1 50 50 ASP CB C 131 39.947 39.947 41.288 -1.341 18084
3074 1 10 . 1 1 50 50 ASP H H 131 8.350 8.350 8.892 -0.542 18084
3075 1 10 . 1 1 51 51 GLY N N 132 108.737 108.737 109.894 -1.157 18084
3076 1 10 . 1 1 51 51 GLY CA C 132 47.528 47.528 45.485 2.043 18084
3077 1 10 . 1 1 51 51 GLY H H 132 7.634 7.634 8.484 -0.850 18084
3078 1 10 . 1 1 52 52 ASP N N 133 120.912 120.912 120.372 0.540 18084
3079 1 10 . 1 1 52 52 ASP HA H 133 4.486 4.486 4.666 -0.180 18084
3080 1 10 . 1 1 52 52 ASP CA C 133 53.799 53.799 53.808 -0.009 18084
3081 1 10 . 1 1 52 52 ASP CB C 133 40.223 40.223 42.749 -2.526 18084
3082 1 10 . 1 1 52 52 ASP H H 133 8.390 8.390 8.887 -0.497 18084
3083 1 10 . 1 1 53 53 GLY N N 134 112.792 112.792 109.850 2.942 18084
3084 1 10 . 1 1 53 53 GLY CA C 134 45.957 45.957 45.237 0.720 18084
3085 1 10 . 1 1 53 53 GLY H H 134 10.276 10.276 9.191 1.085 18084
3086 1 10 . 1 1 54 54 GLN N N 135 115.190 115.190 117.080 -1.890 18084
3087 1 10 . 1 1 54 54 GLN HA H 135 4.960 4.960 4.831 0.129 18084
3088 1 10 . 1 1 54 54 GLN CA C 135 53.311 53.311 53.948 -0.637 18084
3089 1 10 . 1 1 54 54 GLN CB C 135 32.662 32.662 33.361 -0.699 18084
3090 1 10 . 1 1 54 54 GLN H H 135 7.993 7.993 7.535 0.458 18084
3091 1 10 . 1 1 55 55 VAL N N 136 125.623 125.623 118.100 7.523 18084
3092 1 10 . 1 1 55 55 VAL HA H 136 5.230 5.230 4.929 0.300 18084
3093 1 10 . 1 1 55 55 VAL CA C 136 61.782 61.782 60.483 1.299 18084
3094 1 10 . 1 1 55 55 VAL CB C 136 33.899 33.899 33.057 0.841 18084
3095 1 10 . 1 1 55 55 VAL H H 136 9.081 9.081 8.388 0.693 18084
3096 1 10 . 1 1 56 56 ASN N N 137 129.390 129.390 125.576 3.814 18084
3097 1 10 . 1 1 56 56 ASN HA H 137 5.331 5.331 5.163 0.168 18084
3098 1 10 . 1 1 56 56 ASN CA C 137 51.131 51.131 51.334 -0.203 18084
3099 1 10 . 1 1 56 56 ASN CB C 137 38.423 38.423 39.793 -1.370 18084
3100 1 10 . 1 1 56 56 ASN H H 137 9.602 9.602 8.387 1.215 18084
3101 1 10 . 1 1 57 57 TYR N N 138 118.471 118.471 120.633 -2.162 18084
3102 1 10 . 1 1 57 57 TYR HA H 138 3.400 3.400 3.367 0.033 18084
3103 1 10 . 1 1 57 57 TYR CA C 138 62.542 62.542 62.134 0.408 18084
3104 1 10 . 1 1 57 57 TYR CB C 138 37.957 37.957 38.040 -0.083 18084
3105 1 10 . 1 1 57 57 TYR H H 138 8.361 8.361 8.865 -0.504 18084
3106 1 10 . 1 1 58 58 GLU N N 139 118.571 118.571 117.998 0.573 18084
3107 1 10 . 1 1 58 58 GLU HA H 139 3.634 3.634 3.772 -0.138 18084
3108 1 10 . 1 1 58 58 GLU CA C 139 60.285 60.285 60.115 0.170 18084
3109 1 10 . 1 1 58 58 GLU CB C 139 28.798 28.798 28.948 -0.150 18084
3110 1 10 . 1 1 58 58 GLU H H 139 8.061 8.061 8.276 -0.215 18084
3111 1 10 . 1 1 59 59 GLU N N 140 119.901 119.901 119.951 -0.050 18084
3112 1 10 . 1 1 59 59 GLU HA H 140 3.882 3.882 4.104 -0.222 18084
3113 1 10 . 1 1 59 59 GLU CA C 140 58.783 58.783 58.770 0.013 18084
3114 1 10 . 1 1 59 59 GLU CB C 140 29.693 29.693 29.725 -0.032 18084
3115 1 10 . 1 1 59 59 GLU H H 140 8.699 8.699 9.091 -0.392 18084
3116 1 10 . 1 1 60 60 PHE N N 141 123.530 123.530 122.260 1.270 18084
3117 1 10 . 1 1 60 60 PHE HA H 141 3.555 3.555 4.163 -0.608 18084
3118 1 10 . 1 1 60 60 PHE CA C 141 61.934 61.934 61.748 0.186 18084
3119 1 10 . 1 1 60 60 PHE CB C 141 40.046 40.046 39.247 0.799 18084
3120 1 10 . 1 1 60 60 PHE H H 141 8.604 8.604 8.510 0.094 18084
3121 1 10 . 1 1 61 61 VAL N N 142 119.574 119.574 118.954 0.620 18084
3122 1 10 . 1 1 61 61 VAL HA H 142 3.039 3.039 3.433 -0.394 18084
3123 1 10 . 1 1 61 61 VAL CA C 142 67.003 67.003 66.561 0.442 18084
3124 1 10 . 1 1 61 61 VAL CB C 142 31.519 31.519 31.220 0.299 18084
3125 1 10 . 1 1 61 61 VAL H H 142 8.728 8.728 8.290 0.438 18084
3126 1 10 . 1 1 62 62 GLN N N 143 118.463 118.463 118.701 -0.238 18084
3127 1 10 . 1 1 62 62 GLN HA H 143 3.836 3.836 3.903 -0.067 18084
3128 1 10 . 1 1 62 62 GLN CA C 143 58.888 58.888 58.995 -0.107 18084
3129 1 10 . 1 1 62 62 GLN CB C 143 28.024 28.024 28.544 -0.520 18084
3130 1 10 . 1 1 62 62 GLN H H 143 7.528 7.528 7.450 0.078 18084
3131 1 10 . 1 1 63 63 MET N N 144 117.042 117.042 117.643 -0.601 18084
3132 1 10 . 1 1 63 63 MET HA H 144 4.188 4.188 4.183 0.005 18084
3133 1 10 . 1 1 63 63 MET CA C 144 56.830 56.830 57.377 -0.546 18084
3134 1 10 . 1 1 63 63 MET CB C 144 31.919 31.919 32.330 -0.411 18084
3135 1 10 . 1 1 63 63 MET H H 144 7.299 7.299 7.624 -0.325 18084
3136 1 10 . 1 1 64 64 MET N N 145 115.614 115.614 119.610 -3.996 18084
3137 1 10 . 1 1 64 64 MET HA H 145 4.297 4.297 4.137 0.160 18084
3138 1 10 . 1 1 64 64 MET CA C 145 55.443 55.443 58.067 -2.624 18084
3139 1 10 . 1 1 64 64 MET CB C 145 33.556 33.556 32.630 0.926 18084
3140 1 10 . 1 1 64 64 MET H H 145 7.727 7.727 8.203 -0.476 18084
3141 1 10 . 1 1 65 65 THR N N 146 110.331 110.331 112.526 -2.195 18084
3142 1 10 . 1 1 65 65 THR HA H 146 4.283 4.283 4.370 -0.087 18084
3143 1 10 . 1 1 65 65 THR CA C 146 62.323 62.323 61.181 1.143 18084
3144 1 10 . 1 1 65 65 THR CB C 146 70.214 70.214 67.666 2.548 18084
3145 1 10 . 1 1 65 65 THR H H 146 7.591 7.591 7.695 -0.104 18084
3146 1 10 . 1 1 66 66 ALA N N 147 126.381 126.381 124.540 1.841 18084
3147 1 10 . 1 1 66 66 ALA HA H 147 4.319 4.319 4.145 0.174 18084
3148 1 10 . 1 1 66 66 ALA CA C 147 52.896 52.896 53.077 -0.180 18084
3149 1 10 . 1 1 66 66 ALA CB C 147 19.066 19.066 19.399 -0.333 18084
3150 1 10 . 1 1 66 66 ALA H H 147 7.564 7.564 7.144 0.420 18084
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 65 2.330 0.065 2.348 18084
2 1 1 "Average Difference" HA 70 0.249 -0.006 0.251 18084
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18084
4 1 1 "Average Difference" CA 65 0.931 -0.243 0.906 18084
5 1 1 "Average Difference" CB 60 1.162 -0.014 1.172 18084
6 1 1 "Average Difference" HN 65 0.637 -0.006 0.642 18084
7 1 2 "Average Difference" N 65 2.347 0.198 2.357 18084
8 1 2 "Average Difference" HA 70 0.252 -0.036 0.251 18084
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18084
10 1 2 "Average Difference" CA 65 0.889 -0.195 0.874 18084
11 1 2 "Average Difference" CB 60 1.121 -0.110 1.125 18084
12 1 2 "Average Difference" HN 65 0.564 -0.014 0.569 18084
13 1 3 "Average Difference" N 65 2.158 0.057 2.174 18084
14 1 3 "Average Difference" HA 70 0.246 -0.031 0.246 18084
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18084
16 1 3 "Average Difference" CA 65 0.886 -0.308 0.837 18084
17 1 3 "Average Difference" CB 60 1.031 -0.119 1.032 18084
18 1 3 "Average Difference" HN 65 0.563 -0.091 0.560 18084
19 1 4 "Average Difference" N 65 2.288 0.083 2.304 18084
20 1 4 "Average Difference" HA 70 0.269 -0.022 0.270 18084
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18084
22 1 4 "Average Difference" CA 65 0.993 -0.239 0.971 18084
23 1 4 "Average Difference" CB 60 1.072 -0.117 1.075 18084
24 1 4 "Average Difference" HN 65 0.526 -0.018 0.530 18084
25 1 5 "Average Difference" N 65 2.406 0.052 2.424 18084
26 1 5 "Average Difference" HA 70 0.243 -0.034 0.243 18084
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18084
28 1 5 "Average Difference" CA 65 0.970 -0.201 0.956 18084
29 1 5 "Average Difference" CB 60 1.113 -0.137 1.114 18084
30 1 5 "Average Difference" HN 65 0.543 -0.033 0.547 18084
31 1 6 "Average Difference" N 65 2.218 0.075 2.234 18084
32 1 6 "Average Difference" HA 70 0.261 -0.030 0.261 18084
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18084
34 1 6 "Average Difference" CA 65 1.175 -0.305 1.144 18084
35 1 6 "Average Difference" CB 60 1.136 -0.099 1.141 18084
36 1 6 "Average Difference" HN 65 0.539 -0.021 0.543 18084
37 1 7 "Average Difference" N 65 2.479 -0.273 2.483 18084
38 1 7 "Average Difference" HA 70 0.252 -0.027 0.252 18084
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18084
40 1 7 "Average Difference" CA 65 1.018 -0.370 0.955 18084
41 1 7 "Average Difference" CB 60 1.060 0.003 1.069 18084
42 1 7 "Average Difference" HN 65 0.606 -0.070 0.606 18084
43 1 8 "Average Difference" N 65 2.302 0.131 2.316 18084
44 1 8 "Average Difference" HA 70 0.254 -0.040 0.253 18084
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18084
46 1 8 "Average Difference" CA 65 1.001 -0.181 0.992 18084
47 1 8 "Average Difference" CB 60 1.206 -0.154 1.206 18084
48 1 8 "Average Difference" HN 65 0.645 -0.056 0.648 18084
49 1 9 "Average Difference" N 65 2.344 0.155 2.357 18084
50 1 9 "Average Difference" HA 70 0.255 -0.034 0.255 18084
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18084
52 1 9 "Average Difference" CA 65 0.994 -0.188 0.983 18084
53 1 9 "Average Difference" CB 60 1.162 -0.017 1.172 18084
54 1 9 "Average Difference" HN 65 0.604 -0.017 0.609 18084
55 1 10 "Average Difference" N 65 2.247 0.001 2.265 18084
56 1 10 "Average Difference" HA 70 0.234 -0.014 0.235 18084
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18084
58 1 10 "Average Difference" CA 65 0.939 -0.258 0.910 18084
59 1 10 "Average Difference" CB 60 1.097 -0.070 1.104 18084
60 1 10 "Average Difference" HN 65 0.551 -0.045 0.554 18084
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 18084
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 GLU N N 83 119.694 119.694 121.446 -1.752 18084
2 1 . 1 1 2 2 GLU HA H 83 4.059 4.059 4.012 0.047 18084
3 1 . 1 1 2 2 GLU CA C 83 59.784 59.784 59.674 0.110 18084
4 1 . 1 1 2 2 GLU CB C 83 29.191 29.191 29.206 -0.015 18084
5 1 . 1 1 2 2 GLU H H 83 8.307 8.307 8.705 -0.398 18084
6 1 . 1 1 3 3 GLU N N 84 120.715 120.715 118.971 1.744 18084
7 1 . 1 1 3 3 GLU HA H 84 4.064 4.064 4.104 -0.040 18084
8 1 . 1 1 3 3 GLU CA C 84 59.505 59.505 59.439 0.066 18084
9 1 . 1 1 3 3 GLU CB C 84 30.028 30.028 28.998 1.030 18084
10 1 . 1 1 3 3 GLU H H 84 7.675 7.675 8.777 -1.102 18084
11 1 . 1 1 4 4 ILE N N 85 121.349 121.349 119.041 2.308 18084
12 1 . 1 1 4 4 ILE HA H 85 3.866 3.866 3.865 0.001 18084
13 1 . 1 1 4 4 ILE CA C 85 65.483 65.483 64.616 0.866 18084
14 1 . 1 1 4 4 ILE CB C 85 37.465 37.465 37.470 -0.005 18084
15 1 . 1 1 4 4 ILE H H 85 7.940 7.940 7.735 0.205 18084
16 1 . 1 1 5 5 ARG N N 86 122.126 122.126 120.478 1.648 18084
17 1 . 1 1 5 5 ARG HA H 86 4.223 4.223 4.184 0.039 18084
18 1 . 1 1 5 5 ARG CA C 86 60.172 60.172 59.784 0.388 18084
19 1 . 1 1 5 5 ARG CB C 86 29.624 29.624 30.153 -0.529 18084
20 1 . 1 1 5 5 ARG H H 86 8.535 8.535 8.146 0.389 18084
21 1 . 1 1 6 6 GLU N N 87 118.362 118.362 118.860 -0.498 18084
22 1 . 1 1 6 6 GLU HA H 87 4.067 4.067 4.130 -0.063 18084
23 1 . 1 1 6 6 GLU CA C 87 59.261 59.261 58.916 0.346 18084
24 1 . 1 1 6 6 GLU CB C 87 29.515 29.515 29.469 0.046 18084
25 1 . 1 1 6 6 GLU H H 87 8.232 8.232 8.384 -0.152 18084
26 1 . 1 1 7 7 ALA N N 88 121.569 121.569 122.662 -1.094 18084
27 1 . 1 1 7 7 ALA HA H 88 4.205 4.205 3.800 0.405 18084
28 1 . 1 1 7 7 ALA CA C 88 55.505 55.505 54.928 0.577 18084
29 1 . 1 1 7 7 ALA CB C 88 17.919 17.919 17.978 -0.059 18084
30 1 . 1 1 7 7 ALA H H 88 8.011 8.011 8.209 -0.198 18084
31 1 . 1 1 8 8 PHE N N 89 119.066 119.066 119.329 -0.263 18084
32 1 . 1 1 8 8 PHE HA H 89 3.295 3.295 3.585 -0.290 18084
33 1 . 1 1 8 8 PHE CA C 89 62.428 62.428 61.237 1.190 18084
34 1 . 1 1 8 8 PHE CB C 89 39.058 39.058 38.934 0.124 18084
35 1 . 1 1 8 8 PHE H H 89 8.682 8.682 7.873 0.809 18084
36 1 . 1 1 9 9 ARG N N 90 115.506 115.506 118.630 -3.124 18084
37 1 . 1 1 9 9 ARG HA H 90 3.894 3.894 3.952 -0.058 18084
38 1 . 1 1 9 9 ARG CA C 90 58.779 58.779 58.371 0.408 18084
39 1 . 1 1 9 9 ARG CB C 90 30.526 30.526 29.418 1.108 18084
40 1 . 1 1 9 9 ARG H H 90 7.803 7.803 7.536 0.267 18084
41 1 . 1 1 10 10 VAL N N 91 118.528 118.528 118.406 0.122 18084
42 1 . 1 1 10 10 VAL HA H 91 3.498 3.498 3.801 -0.303 18084
43 1 . 1 1 10 10 VAL CA C 91 65.886 65.886 65.814 0.072 18084
44 1 . 1 1 10 10 VAL CB C 91 31.135 31.135 31.639 -0.504 18084
45 1 . 1 1 10 10 VAL H H 91 7.457 7.457 7.646 -0.189 18084
46 1 . 1 1 11 11 PHE N N 92 114.999 114.999 117.160 -2.161 18084
47 1 . 1 1 11 11 PHE HA H 92 4.182 4.182 4.311 -0.130 18084
48 1 . 1 1 11 11 PHE CA C 92 60.728 60.728 58.294 2.434 18084
49 1 . 1 1 11 11 PHE CB C 92 41.596 41.596 38.697 2.899 18084
50 1 . 1 1 11 11 PHE H H 92 7.119 7.119 7.945 -0.826 18084
51 1 . 1 1 12 12 ASP N N 93 116.105 116.105 119.247 -3.142 18084
52 1 . 1 1 12 12 ASP HA H 93 4.609 4.609 4.835 -0.226 18084
53 1 . 1 1 12 12 ASP CA C 93 52.575 52.575 53.189 -0.614 18084
54 1 . 1 1 12 12 ASP CB C 93 38.699 38.699 39.616 -0.917 18084
55 1 . 1 1 12 12 ASP H H 93 7.966 7.966 7.891 0.075 18084
56 1 . 1 1 13 13 LYS N N 94 126.306 126.306 125.794 0.512 18084
57 1 . 1 1 13 13 LYS HA H 94 3.956 3.956 4.193 -0.237 18084
58 1 . 1 1 13 13 LYS CA C 94 59.124 59.124 58.220 0.904 18084
59 1 . 1 1 13 13 LYS CB C 94 32.783 32.783 32.787 -0.004 18084
60 1 . 1 1 13 13 LYS H H 94 7.912 7.912 8.310 -0.398 18084
61 1 . 1 1 14 14 ASP N N 95 114.408 114.408 118.066 -3.658 18084
62 1 . 1 1 14 14 ASP HA H 95 4.574 4.574 4.464 0.110 18084
63 1 . 1 1 14 14 ASP CA C 95 53.094 53.094 54.882 -1.788 18084
64 1 . 1 1 14 14 ASP CB C 95 39.625 39.625 41.194 -1.568 18084
65 1 . 1 1 14 14 ASP H H 95 8.210 8.210 8.171 0.039 18084
66 1 . 1 1 15 15 GLY N N 96 109.216 109.216 109.834 -0.618 18084
67 1 . 1 1 15 15 GLY CA C 96 47.204 47.204 45.353 1.851 18084
68 1 . 1 1 15 15 GLY H H 96 7.789 7.789 8.532 -0.743 18084
69 1 . 1 1 16 16 ASN N N 97 119.756 119.756 118.742 1.014 18084
70 1 . 1 1 16 16 ASN HA H 97 4.670 4.670 4.786 -0.116 18084
71 1 . 1 1 16 16 ASN CA C 97 52.817 52.817 52.346 0.471 18084
72 1 . 1 1 16 16 ASN CB C 97 38.260 38.260 39.761 -1.501 18084
73 1 . 1 1 16 16 ASN H H 97 8.376 8.376 8.680 -0.304 18084
74 1 . 1 1 17 17 GLY N N 98 112.788 112.788 108.844 3.944 18084
75 1 . 1 1 17 17 GLY CA C 98 45.075 45.075 45.688 -0.613 18084
76 1 . 1 1 17 17 GLY H H 98 10.652 10.652 9.021 1.631 18084
77 1 . 1 1 18 18 TYR N N 99 116.107 116.107 117.313 -1.206 18084
78 1 . 1 1 18 18 TYR HA H 99 5.061 5.061 4.996 0.065 18084
79 1 . 1 1 18 18 TYR CA C 99 56.262 56.262 56.696 -0.434 18084
80 1 . 1 1 18 18 TYR CB C 99 43.007 43.007 41.717 1.290 18084
81 1 . 1 1 18 18 TYR H H 99 7.674 7.674 7.992 -0.318 18084
82 1 . 1 1 19 19 ILE N N 100 127.280 127.280 125.230 2.050 18084
83 1 . 1 1 19 19 ILE HA H 100 4.720 4.720 4.139 0.581 18084
84 1 . 1 1 19 19 ILE CA C 100 61.231 61.231 61.420 -0.189 18084
85 1 . 1 1 19 19 ILE CB C 100 39.342 39.342 37.737 1.605 18084
86 1 . 1 1 19 19 ILE H H 100 10.172 10.172 8.770 1.401 18084
87 1 . 1 1 20 20 SER N N 101 123.721 123.721 123.451 0.270 18084
88 1 . 1 1 20 20 SER HA H 101 4.959 4.959 4.634 0.325 18084
89 1 . 1 1 20 20 SER CA C 101 55.629 55.629 56.757 -1.128 18084
90 1 . 1 1 20 20 SER CB C 101 66.984 66.984 65.072 1.912 18084
91 1 . 1 1 20 20 SER H H 101 8.978 8.978 8.529 0.449 18084
92 1 . 1 1 21 21 ALA N N 102 123.086 123.086 126.682 -3.596 18084
93 1 . 1 1 21 21 ALA HA H 102 3.920 3.920 4.034 -0.114 18084
94 1 . 1 1 21 21 ALA CA C 102 55.987 55.987 55.437 0.550 18084
95 1 . 1 1 21 21 ALA CB C 102 18.036 18.036 18.543 -0.507 18084
96 1 . 1 1 21 21 ALA H H 102 9.212 9.212 8.974 0.238 18084
97 1 . 1 1 22 22 ALA N N 103 118.515 118.515 120.454 -1.939 18084
98 1 . 1 1 22 22 ALA HA H 103 4.066 4.066 4.020 0.046 18084
99 1 . 1 1 22 22 ALA CA C 103 55.277 55.277 54.829 0.448 18084
100 1 . 1 1 22 22 ALA CB C 103 18.403 18.403 18.299 0.104 18084
101 1 . 1 1 22 22 ALA H H 103 8.234 8.234 8.098 0.136 18084
102 1 . 1 1 23 23 GLU N N 104 120.368 120.368 118.314 2.054 18084
103 1 . 1 1 23 23 GLU HA H 104 4.052 4.052 4.049 0.003 18084
104 1 . 1 1 23 23 GLU CA C 104 59.617 59.617 58.906 0.711 18084
105 1 . 1 1 23 23 GLU CB C 104 29.263 29.263 29.421 -0.158 18084
106 1 . 1 1 23 23 GLU H H 104 7.863 7.863 8.042 -0.179 18084
107 1 . 1 1 24 24 LEU N N 105 121.416 121.416 121.083 0.333 18084
108 1 . 1 1 24 24 LEU HA H 105 4.187 4.187 4.018 0.169 18084
109 1 . 1 1 24 24 LEU CA C 105 58.561 58.561 57.335 1.226 18084
110 1 . 1 1 24 24 LEU CB C 105 42.122 42.122 41.949 0.173 18084
111 1 . 1 1 24 24 LEU H H 105 8.502 8.502 8.436 0.066 18084
112 1 . 1 1 25 25 ARG N N 106 118.344 118.344 118.286 0.058 18084
113 1 . 1 1 25 25 ARG HA H 106 3.710 3.710 3.924 -0.214 18084
114 1 . 1 1 25 25 ARG CA C 106 60.063 60.063 59.684 0.379 18084
115 1 . 1 1 25 25 ARG CB C 106 30.399 30.399 29.859 0.540 18084
116 1 . 1 1 25 25 ARG H H 106 8.691 8.691 8.092 0.599 18084
117 1 . 1 1 26 26 HIS N N 107 119.487 119.487 118.321 1.166 18084
118 1 . 1 1 26 26 HIS HA H 107 4.307 4.307 4.512 -0.205 18084
119 1 . 1 1 26 26 HIS CA C 107 60.105 60.105 58.099 2.006 18084
120 1 . 1 1 26 26 HIS CB C 107 30.761 30.761 30.173 0.588 18084
121 1 . 1 1 26 26 HIS H H 107 7.960 7.960 7.734 0.226 18084
122 1 . 1 1 27 27 VAL N N 108 119.546 119.546 120.140 -0.594 18084
123 1 . 1 1 27 27 VAL HA H 108 3.513 3.513 3.621 -0.108 18084
124 1 . 1 1 27 27 VAL CA C 108 66.746 66.746 65.436 1.310 18084
125 1 . 1 1 27 27 VAL CB C 108 31.783 31.783 31.783 -0.000 18084
126 1 . 1 1 27 27 VAL H H 108 7.896 7.896 7.587 0.309 18084
127 1 . 1 1 28 28 MET N N 109 115.613 115.613 118.072 -2.459 18084
128 1 . 1 1 28 28 MET HA H 109 4.359 4.359 4.155 0.204 18084
129 1 . 1 1 28 28 MET CA C 109 57.020 57.020 57.700 -0.680 18084
130 1 . 1 1 28 28 MET CB C 109 29.108 29.108 31.735 -2.627 18084
131 1 . 1 1 28 28 MET H H 109 8.348 8.348 8.258 0.090 18084
132 1 . 1 1 29 29 THR N N 110 116.414 116.414 112.795 3.619 18084
133 1 . 1 1 29 29 THR HA H 110 4.115 4.115 3.982 0.133 18084
134 1 . 1 1 29 29 THR CA C 110 66.511 66.511 65.978 0.533 18084
135 1 . 1 1 29 29 THR CB C 110 68.667 68.667 68.301 0.367 18084
136 1 . 1 1 29 29 THR H H 110 8.318 8.318 7.890 0.428 18084
137 1 . 1 1 30 30 ASN N N 111 123.002 123.002 119.300 3.702 18084
138 1 . 1 1 30 30 ASN HA H 111 4.476 4.476 4.524 -0.048 18084
139 1 . 1 1 30 30 ASN CA C 111 55.892 55.892 54.848 1.044 18084
140 1 . 1 1 30 30 ASN CB C 111 38.279 38.279 38.461 -0.182 18084
141 1 . 1 1 30 30 ASN H H 111 7.792 7.792 7.579 0.213 18084
142 1 . 1 1 31 31 LEU N N 112 119.010 119.010 119.466 -0.456 18084
143 1 . 1 1 31 31 LEU HA H 112 4.331 4.331 4.197 0.134 18084
144 1 . 1 1 31 31 LEU CA C 112 55.619 55.619 55.849 -0.230 18084
145 1 . 1 1 31 31 LEU CB C 112 42.190 42.190 42.401 -0.211 18084
146 1 . 1 1 31 31 LEU H H 112 7.788 7.788 7.617 0.171 18084
147 1 . 1 1 32 32 GLY N N 113 106.844 106.844 106.014 0.830 18084
148 1 . 1 1 32 32 GLY CA C 113 45.330 45.330 45.125 0.205 18084
149 1 . 1 1 32 32 GLY H H 113 7.816 7.816 7.472 0.344 18084
150 1 . 1 1 33 33 GLU N N 114 120.325 120.325 124.516 -4.191 18084
151 1 . 1 1 33 33 GLU HA H 114 4.454 4.454 4.263 0.191 18084
152 1 . 1 1 33 33 GLU CA C 114 55.014 55.014 55.897 -0.883 18084
153 1 . 1 1 33 33 GLU CB C 114 30.494 30.494 29.101 1.393 18084
154 1 . 1 1 33 33 GLU H H 114 7.888 7.888 8.326 -0.438 18084
155 1 . 1 1 34 34 LYS N N 115 125.103 125.103 125.439 -0.336 18084
156 1 . 1 1 34 34 LYS HA H 115 4.401 4.401 4.261 0.140 18084
157 1 . 1 1 34 34 LYS CA C 115 55.500 55.500 56.214 -0.714 18084
158 1 . 1 1 34 34 LYS CB C 115 31.970 31.970 32.060 -0.090 18084
159 1 . 1 1 34 34 LYS H H 115 8.576 8.576 8.221 0.355 18084
160 1 . 1 1 35 35 LEU N N 116 124.861 124.861 125.756 -0.895 18084
161 1 . 1 1 35 35 LEU HA H 116 4.759 4.759 4.534 0.225 18084
162 1 . 1 1 35 35 LEU CA C 116 54.130 54.130 53.691 0.439 18084
163 1 . 1 1 35 35 LEU CB C 116 44.629 44.629 43.076 1.553 18084
164 1 . 1 1 35 35 LEU H H 116 8.002 8.002 8.216 -0.214 18084
165 1 . 1 1 36 36 THR N N 117 114.594 114.594 112.116 2.478 18084
166 1 . 1 1 36 36 THR HA H 117 4.601 4.601 4.369 0.232 18084
167 1 . 1 1 36 36 THR CA C 117 60.777 60.777 60.907 -0.130 18084
168 1 . 1 1 36 36 THR CB C 117 71.180 71.180 70.386 0.794 18084
169 1 . 1 1 36 36 THR H H 117 9.238 9.238 9.283 -0.045 18084
170 1 . 1 1 37 37 ASP N N 118 121.017 121.017 121.028 -0.011 18084
171 1 . 1 1 37 37 ASP HA H 118 4.216 4.216 4.314 -0.098 18084
172 1 . 1 1 37 37 ASP CA C 118 58.138 58.138 58.302 -0.164 18084
173 1 . 1 1 37 37 ASP CB C 118 39.658 39.658 40.784 -1.126 18084
174 1 . 1 1 37 37 ASP H H 118 8.854 8.854 8.801 0.053 18084
175 1 . 1 1 38 38 GLU N N 119 119.262 119.262 118.332 0.931 18084
176 1 . 1 1 38 38 GLU HA H 119 4.113 4.113 4.082 0.031 18084
177 1 . 1 1 38 38 GLU CA C 119 59.919 59.919 59.529 0.391 18084
178 1 . 1 1 38 38 GLU CB C 119 29.132 29.132 29.353 -0.221 18084
179 1 . 1 1 38 38 GLU H H 119 8.629 8.629 8.793 -0.164 18084
180 1 . 1 1 39 39 GLU N N 120 118.567 118.567 119.903 -1.336 18084
181 1 . 1 1 39 39 GLU HA H 120 4.074 4.074 4.079 -0.005 18084
182 1 . 1 1 39 39 GLU CA C 120 59.391 59.391 59.238 0.153 18084
183 1 . 1 1 39 39 GLU CB C 120 30.211 30.211 29.707 0.504 18084
184 1 . 1 1 39 39 GLU H H 120 8.097 8.097 7.554 0.542 18084
185 1 . 1 1 40 40 VAL N N 121 120.686 120.686 119.913 0.773 18084
186 1 . 1 1 40 40 VAL HA H 121 3.465 3.465 3.646 -0.181 18084
187 1 . 1 1 40 40 VAL CA C 121 66.809 66.809 66.865 -0.056 18084
188 1 . 1 1 40 40 VAL CB C 121 31.587 31.587 31.495 0.092 18084
189 1 . 1 1 40 40 VAL H H 121 7.969 7.969 8.193 -0.224 18084
190 1 . 1 1 41 41 ASP N N 122 119.330 119.330 120.403 -1.073 18084
191 1 . 1 1 41 41 ASP HA H 122 4.348 4.348 4.282 0.066 18084
192 1 . 1 1 41 41 ASP CA C 122 57.868 57.868 57.887 -0.019 18084
193 1 . 1 1 41 41 ASP CB C 122 40.541 40.541 40.912 -0.371 18084
194 1 . 1 1 41 41 ASP H H 122 7.972 7.972 8.208 -0.236 18084
195 1 . 1 1 42 42 GLU N N 123 119.682 119.682 119.810 -0.128 18084
196 1 . 1 1 42 42 GLU HA H 123 3.975 3.975 3.995 -0.019 18084
197 1 . 1 1 42 42 GLU CA C 123 59.521 59.521 59.202 0.319 18084
198 1 . 1 1 42 42 GLU CB C 123 29.566 29.566 29.612 -0.046 18084
199 1 . 1 1 42 42 GLU H H 123 8.016 8.016 8.069 -0.053 18084
200 1 . 1 1 43 43 MET N N 124 119.466 119.466 118.222 1.244 18084
201 1 . 1 1 43 43 MET HA H 124 4.123 4.123 4.124 -0.001 18084
202 1 . 1 1 43 43 MET CA C 124 60.111 60.111 59.523 0.588 18084
203 1 . 1 1 43 43 MET CB C 124 33.358 33.358 32.785 0.573 18084
204 1 . 1 1 43 43 MET H H 124 7.825 7.825 7.889 -0.064 18084
205 1 . 1 1 44 44 ILE N N 125 119.195 119.195 116.865 2.330 18084
206 1 . 1 1 44 44 ILE HA H 125 3.821 3.821 3.917 -0.096 18084
207 1 . 1 1 44 44 ILE CA C 125 63.732 63.732 63.190 0.542 18084
208 1 . 1 1 44 44 ILE CB C 125 36.277 36.277 37.347 -1.070 18084
209 1 . 1 1 44 44 ILE H H 125 7.952 7.952 7.719 0.233 18084
210 1 . 1 1 45 45 ARG N N 126 118.673 118.673 119.793 -1.120 18084
211 1 . 1 1 45 45 ARG HA H 126 4.063 4.063 4.043 0.019 18084
212 1 . 1 1 45 45 ARG CA C 126 59.825 59.825 59.437 0.388 18084
213 1 . 1 1 45 45 ARG CB C 126 30.427 30.427 30.212 0.215 18084
214 1 . 1 1 45 45 ARG H H 126 8.492 8.492 8.209 0.283 18084
215 1 . 1 1 46 46 GLU N N 127 116.432 116.432 117.189 -0.757 18084
216 1 . 1 1 46 46 GLU HA H 127 4.036 4.036 4.232 -0.196 18084
217 1 . 1 1 46 46 GLU CA C 127 58.676 58.676 57.686 0.990 18084
218 1 . 1 1 46 46 GLU CB C 127 29.842 29.842 30.040 -0.199 18084
219 1 . 1 1 46 46 GLU H H 127 7.944 7.944 7.928 0.016 18084
220 1 . 1 1 47 47 ALA N N 128 118.021 118.021 119.385 -1.364 18084
221 1 . 1 1 47 47 ALA HA H 128 4.466 4.466 4.390 0.076 18084
222 1 . 1 1 47 47 ALA CA C 128 51.798 51.798 52.017 -0.219 18084
223 1 . 1 1 47 47 ALA CB C 128 22.115 22.115 19.868 2.247 18084
224 1 . 1 1 47 47 ALA H H 128 7.195 7.195 7.246 -0.051 18084
225 1 . 1 1 48 48 ASP N N 129 117.984 117.984 118.727 -0.743 18084
226 1 . 1 1 48 48 ASP HA H 129 4.494 4.494 4.905 -0.411 18084
227 1 . 1 1 48 48 ASP CA C 129 54.472 54.472 54.095 0.377 18084
228 1 . 1 1 48 48 ASP CB C 129 40.753 40.753 41.616 -0.863 18084
229 1 . 1 1 48 48 ASP H H 129 8.024 8.024 7.787 0.237 18084
230 1 . 1 1 49 49 ILE N N 130 127.861 127.861 125.522 2.339 18084
231 1 . 1 1 49 49 ILE HA H 130 3.918 3.918 4.192 -0.274 18084
232 1 . 1 1 49 49 ILE CA C 130 63.240 63.240 61.804 1.436 18084
233 1 . 1 1 49 49 ILE CB C 130 38.809 38.809 39.054 -0.245 18084
234 1 . 1 1 49 49 ILE H H 130 8.302 8.302 9.458 -1.156 18084
235 1 . 1 1 50 50 ASP N N 131 116.838 116.838 120.835 -3.998 18084
236 1 . 1 1 50 50 ASP HA H 131 4.541 4.541 4.518 0.022 18084
237 1 . 1 1 50 50 ASP CA C 131 54.045 54.045 54.774 -0.729 18084
238 1 . 1 1 50 50 ASP CB C 131 39.947 39.947 41.230 -1.283 18084
239 1 . 1 1 50 50 ASP H H 131 8.350 8.350 8.852 -0.502 18084
240 1 . 1 1 51 51 GLY N N 132 108.737 108.737 109.104 -0.367 18084
241 1 . 1 1 51 51 GLY CA C 132 47.528 47.528 45.440 2.088 18084
242 1 . 1 1 51 51 GLY H H 132 7.634 7.634 8.466 -0.832 18084
243 1 . 1 1 52 52 ASP N N 133 120.912 120.912 120.357 0.555 18084
244 1 . 1 1 52 52 ASP HA H 133 4.486 4.486 4.607 -0.121 18084
245 1 . 1 1 52 52 ASP CA C 133 53.799 53.799 53.772 0.027 18084
246 1 . 1 1 52 52 ASP CB C 133 40.223 40.223 42.104 -1.881 18084
247 1 . 1 1 52 52 ASP H H 133 8.390 8.390 8.727 -0.337 18084
248 1 . 1 1 53 53 GLY N N 134 112.792 112.792 109.738 3.054 18084
249 1 . 1 1 53 53 GLY CA C 134 45.957 45.957 45.277 0.680 18084
250 1 . 1 1 53 53 GLY H H 134 10.276 10.276 8.948 1.328 18084
251 1 . 1 1 54 54 GLN N N 135 115.190 115.190 118.087 -2.897 18084
252 1 . 1 1 54 54 GLN HA H 135 4.960 4.960 4.726 0.233 18084
253 1 . 1 1 54 54 GLN CA C 135 53.311 53.311 53.925 -0.614 18084
254 1 . 1 1 54 54 GLN CB C 135 32.662 32.662 32.925 -0.263 18084
255 1 . 1 1 54 54 GLN H H 135 7.993 7.993 7.959 0.034 18084
256 1 . 1 1 55 55 VAL N N 136 125.623 125.623 119.394 6.229 18084
257 1 . 1 1 55 55 VAL HA H 136 5.230 5.230 4.706 0.524 18084
258 1 . 1 1 55 55 VAL CA C 136 61.782 61.782 61.089 0.693 18084
259 1 . 1 1 55 55 VAL CB C 136 33.899 33.899 32.441 1.458 18084
260 1 . 1 1 55 55 VAL H H 136 9.081 9.081 8.350 0.731 18084
261 1 . 1 1 56 56 ASN N N 137 129.390 129.390 125.529 3.861 18084
262 1 . 1 1 56 56 ASN HA H 137 5.331 5.331 5.263 0.068 18084
263 1 . 1 1 56 56 ASN CA C 137 51.131 51.131 51.075 0.056 18084
264 1 . 1 1 56 56 ASN CB C 137 38.423 38.423 40.028 -1.605 18084
265 1 . 1 1 56 56 ASN H H 137 9.602 9.602 8.319 1.283 18084
266 1 . 1 1 57 57 TYR N N 138 118.471 118.471 120.944 -2.473 18084
267 1 . 1 1 57 57 TYR HA H 138 3.400 3.400 3.330 0.070 18084
268 1 . 1 1 57 57 TYR CA C 138 62.542 62.542 63.262 -0.720 18084
269 1 . 1 1 57 57 TYR CB C 138 37.957 37.957 38.340 -0.383 18084
270 1 . 1 1 57 57 TYR H H 138 8.361 8.361 8.880 -0.519 18084
271 1 . 1 1 58 58 GLU N N 139 118.571 118.571 117.946 0.625 18084
272 1 . 1 1 58 58 GLU HA H 139 3.634 3.634 3.879 -0.245 18084
273 1 . 1 1 58 58 GLU CA C 139 60.285 60.285 60.153 0.132 18084
274 1 . 1 1 58 58 GLU CB C 139 28.798 28.798 28.906 -0.108 18084
275 1 . 1 1 58 58 GLU H H 139 8.061 8.061 8.470 -0.409 18084
276 1 . 1 1 59 59 GLU N N 140 119.901 119.901 120.231 -0.330 18084
277 1 . 1 1 59 59 GLU HA H 140 3.882 3.882 4.058 -0.176 18084
278 1 . 1 1 59 59 GLU CA C 140 58.783 58.783 59.000 -0.217 18084
279 1 . 1 1 59 59 GLU CB C 140 29.693 29.693 29.663 0.030 18084
280 1 . 1 1 59 59 GLU H H 140 8.699 8.699 8.794 -0.095 18084
281 1 . 1 1 60 60 PHE N N 141 123.530 123.530 121.642 1.887 18084
282 1 . 1 1 60 60 PHE HA H 141 3.555 3.555 4.171 -0.616 18084
283 1 . 1 1 60 60 PHE CA C 141 61.934 61.934 61.714 0.220 18084
284 1 . 1 1 60 60 PHE CB C 141 40.046 40.046 39.110 0.936 18084
285 1 . 1 1 60 60 PHE H H 141 8.604 8.604 8.632 -0.028 18084
286 1 . 1 1 61 61 VAL N N 142 119.574 119.574 119.127 0.447 18084
287 1 . 1 1 61 61 VAL HA H 142 3.039 3.039 3.400 -0.361 18084
288 1 . 1 1 61 61 VAL CA C 142 67.003 67.003 66.728 0.275 18084
289 1 . 1 1 61 61 VAL CB C 142 31.519 31.519 31.392 0.126 18084
290 1 . 1 1 61 61 VAL H H 142 8.728 8.728 8.107 0.621 18084
291 1 . 1 1 62 62 GLN N N 143 118.463 118.463 118.902 -0.439 18084
292 1 . 1 1 62 62 GLN HA H 143 3.836 3.836 3.922 -0.086 18084
293 1 . 1 1 62 62 GLN CA C 143 58.888 58.888 58.751 0.137 18084
294 1 . 1 1 62 62 GLN CB C 143 28.024 28.024 28.766 -0.742 18084
295 1 . 1 1 62 62 GLN H H 143 7.528 7.528 7.904 -0.376 18084
296 1 . 1 1 63 63 MET N N 144 117.042 117.042 117.818 -0.776 18084
297 1 . 1 1 63 63 MET HA H 144 4.188 4.188 4.130 0.058 18084
298 1 . 1 1 63 63 MET CA C 144 56.830 56.830 58.028 -1.198 18084
299 1 . 1 1 63 63 MET CB C 144 31.919 31.919 32.593 -0.674 18084
300 1 . 1 1 63 63 MET H H 144 7.299 7.299 7.895 -0.596 18084
301 1 . 1 1 64 64 MET N N 145 115.614 115.614 117.035 -1.421 18084
302 1 . 1 1 64 64 MET HA H 145 4.297 4.297 4.210 0.087 18084
303 1 . 1 1 64 64 MET CA C 145 55.443 55.443 57.756 -2.313 18084
304 1 . 1 1 64 64 MET CB C 145 33.556 33.556 33.022 0.534 18084
305 1 . 1 1 64 64 MET H H 145 7.727 7.727 7.724 0.003 18084
306 1 . 1 1 65 65 THR N N 146 110.331 110.331 115.448 -5.117 18084
307 1 . 1 1 65 65 THR HA H 146 4.283 4.283 4.352 -0.069 18084
308 1 . 1 1 65 65 THR CA C 146 62.323 62.323 61.464 0.859 18084
309 1 . 1 1 65 65 THR CB C 146 70.214 70.214 67.217 2.997 18084
310 1 . 1 1 65 65 THR H H 146 7.591 7.591 7.865 -0.274 18084
311 1 . 1 1 66 66 ALA N N 147 126.381 126.381 125.705 0.676 18084
312 1 . 1 1 66 66 ALA HA H 147 4.319 4.319 4.352 -0.033 18084
313 1 . 1 1 66 66 ALA CA C 147 52.896 52.896 51.957 0.939 18084
314 1 . 1 1 66 66 ALA CB C 147 19.066 19.066 19.339 -0.273 18084
315 1 . 1 1 66 66 ALA H H 147 7.564 7.564 7.534 0.030 18084
stop_
save_