data_19829
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19829
_Entry.PDB_ID 2MLQ
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 19829
_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 LYS HA H 2 4.102 4.102 4.637 -0.535 19829
2 1 1 . 1 1 2 2 LYS CA C 2 55.784 55.784 56.897 -1.113 19829
3 1 1 . 1 1 2 2 LYS CB C 2 32.422 32.422 33.351 -0.929 19829
4 1 1 . 1 1 3 3 PHE N N 3 122.251 122.251 120.938 1.313 19829
5 1 1 . 1 1 3 3 PHE HA H 3 4.389 4.389 5.000 -0.611 19829
6 1 1 . 1 1 3 3 PHE CA C 3 57.120 57.120 57.046 0.074 19829
7 1 1 . 1 1 3 3 PHE CB C 3 38.819 38.819 39.445 -0.626 19829
8 1 1 . 1 1 3 3 PHE H H 3 8.304 8.304 8.313 -0.009 19829
9 1 1 . 1 1 4 4 ARG N N 4 124.460 124.460 121.333 3.127 19829
10 1 1 . 1 1 4 4 ARG HA H 4 4.022 4.022 4.170 -0.148 19829
11 1 1 . 1 1 4 4 ARG CA C 4 55.240 55.240 54.900 0.340 19829
12 1 1 . 1 1 4 4 ARG CB C 4 30.166 30.166 29.089 1.077 19829
13 1 1 . 1 1 4 4 ARG H H 4 8.107 8.107 8.057 0.050 19829
14 1 1 . 1 1 5 5 ARG N N 5 123.055 123.055 114.574 8.481 19829
15 1 1 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.186 -0.179 19829
16 1 1 . 1 1 5 5 ARG CB C 5 30.181 30.181 29.473 0.708 19829
17 1 1 . 1 1 5 5 ARG H H 5 8.138 8.138 7.557 0.581 19829
18 1 1 . 1 1 6 6 TYR N N 6 121.633 121.633 117.944 3.689 19829
19 1 1 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.545 -0.161 19829
20 1 1 . 1 1 6 6 TYR CA C 6 57.103 57.103 59.822 -2.719 19829
21 1 1 . 1 1 6 6 TYR H H 6 8.157 8.157 7.323 0.834 19829
22 1 1 . 1 1 7 7 LEU N N 7 124.288 124.288 119.062 5.226 19829
23 1 1 . 1 1 7 7 LEU HA H 7 4.167 4.167 4.416 -0.249 19829
24 1 1 . 1 1 7 7 LEU CA C 7 54.203 54.203 56.390 -2.187 19829
25 1 1 . 1 1 7 7 LEU H H 7 8.028 8.028 8.634 -0.606 19829
26 1 1 . 1 1 8 8 SER N N 8 117.094 117.094 113.695 3.399 19829
27 1 1 . 1 1 8 8 SER HA H 8 4.214 4.214 4.121 0.093 19829
28 1 1 . 1 1 8 8 SER CA C 8 57.600 57.600 60.648 -3.048 19829
29 1 1 . 1 1 8 8 SER H H 8 8.124 8.124 8.176 -0.052 19829
30 1 1 . 1 1 9 9 VAL N N 9 121.580 121.580 117.559 4.021 19829
31 1 1 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.230 -0.389 19829
32 1 1 . 1 1 9 9 VAL CA C 9 61.986 61.986 63.108 -1.122 19829
33 1 1 . 1 1 9 9 VAL CB C 9 31.851 31.851 32.611 -0.760 19829
34 1 1 . 1 1 9 9 VAL H H 9 7.958 7.958 7.490 0.468 19829
35 1 1 . 1 1 10 10 PHE N N 10 123.076 123.076 122.615 0.461 19829
36 1 1 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.475 -0.118 19829
37 1 1 . 1 1 10 10 PHE H H 10 8.020 8.020 7.925 0.095 19829
38 1 1 . 1 1 11 11 PHE N N 11 122.150 122.150 117.510 4.640 19829
39 1 1 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.521 -0.166 19829
40 1 1 . 1 1 11 11 PHE CA C 11 57.157 57.157 58.757 -1.600 19829
41 1 1 . 1 1 11 11 PHE H H 11 7.921 7.921 8.784 -0.863 19829
42 1 1 . 1 1 12 12 ARG N N 12 123.435 123.435 118.475 4.960 19829
43 1 1 . 1 1 12 12 ARG HA H 12 4.021 4.021 4.244 -0.223 19829
44 1 1 . 1 1 12 12 ARG CB C 12 30.049 30.049 29.912 0.137 19829
45 1 1 . 1 1 12 12 ARG H H 12 7.937 7.937 7.398 0.539 19829
46 1 1 . 1 1 13 13 LYS N N 13 123.050 123.050 120.672 2.378 19829
47 1 1 . 1 1 13 13 LYS HA H 13 4.010 4.010 4.167 -0.157 19829
48 1 1 . 1 1 13 13 LYS CA C 13 55.548 55.548 56.915 -1.367 19829
49 1 1 . 1 1 13 13 LYS CB C 13 32.423 32.423 30.786 1.637 19829
50 1 1 . 1 1 13 13 LYS H H 13 8.132 8.132 7.600 0.532 19829
51 1 1 . 1 1 14 14 HIS N N 14 121.316 121.316 119.279 2.037 19829
52 1 1 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.584 -0.087 19829
53 1 1 . 1 1 14 14 HIS CA C 14 54.924 54.924 57.787 -2.863 19829
54 1 1 . 1 1 14 14 HIS CB C 14 29.102 29.102 31.396 -2.294 19829
55 1 1 . 1 1 14 14 HIS H H 14 8.398 8.398 8.570 -0.172 19829
56 1 1 . 1 1 15 15 ILE N N 15 124.029 124.029 119.237 4.792 19829
57 1 1 . 1 1 15 15 ILE HA H 15 4.044 4.044 4.369 -0.325 19829
58 1 1 . 1 1 15 15 ILE CA C 15 60.543 60.543 62.416 -1.873 19829
59 1 1 . 1 1 15 15 ILE CB C 15 38.059 38.059 39.211 -1.152 19829
60 1 1 . 1 1 15 15 ILE H H 15 8.151 8.151 8.561 -0.410 19829
61 1 2 . 1 1 2 2 LYS HA H 2 4.102 4.102 4.425 -0.323 19829
62 1 2 . 1 1 2 2 LYS CA C 2 55.784 55.784 56.300 -0.516 19829
63 1 2 . 1 1 2 2 LYS CB C 2 32.422 32.422 32.751 -0.329 19829
64 1 2 . 1 1 3 3 PHE N N 3 122.251 122.251 117.910 4.341 19829
65 1 2 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.953 -0.564 19829
66 1 2 . 1 1 3 3 PHE CA C 3 57.120 57.120 56.821 0.299 19829
67 1 2 . 1 1 3 3 PHE CB C 3 38.819 38.819 39.484 -0.665 19829
68 1 2 . 1 1 3 3 PHE H H 3 8.304 8.304 7.639 0.665 19829
69 1 2 . 1 1 4 4 ARG N N 4 124.460 124.460 121.463 2.997 19829
70 1 2 . 1 1 4 4 ARG HA H 4 4.022 4.022 4.185 -0.163 19829
71 1 2 . 1 1 4 4 ARG CA C 4 55.240 55.240 56.194 -0.953 19829
72 1 2 . 1 1 4 4 ARG CB C 4 30.166 30.166 28.548 1.618 19829
73 1 2 . 1 1 4 4 ARG H H 4 8.107 8.107 8.230 -0.123 19829
74 1 2 . 1 1 5 5 ARG N N 5 123.055 123.055 119.115 3.940 19829
75 1 2 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.407 -0.400 19829
76 1 2 . 1 1 5 5 ARG CB C 5 30.181 30.181 29.908 0.273 19829
77 1 2 . 1 1 5 5 ARG H H 5 8.138 8.138 7.892 0.246 19829
78 1 2 . 1 1 6 6 TYR N N 6 121.633 121.633 119.020 2.613 19829
79 1 2 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.698 -0.314 19829
80 1 2 . 1 1 6 6 TYR CA C 6 57.103 57.103 58.177 -1.074 19829
81 1 2 . 1 1 6 6 TYR H H 6 8.157 8.157 8.068 0.089 19829
82 1 2 . 1 1 7 7 LEU N N 7 124.288 124.288 120.928 3.360 19829
83 1 2 . 1 1 7 7 LEU HA H 7 4.167 4.167 4.298 -0.131 19829
84 1 2 . 1 1 7 7 LEU CA C 7 54.203 54.203 55.630 -1.427 19829
85 1 2 . 1 1 7 7 LEU H H 7 8.028 8.028 7.843 0.185 19829
86 1 2 . 1 1 8 8 SER N N 8 117.094 117.094 114.571 2.523 19829
87 1 2 . 1 1 8 8 SER HA H 8 4.214 4.214 4.396 -0.182 19829
88 1 2 . 1 1 8 8 SER CA C 8 57.600 57.600 60.424 -2.824 19829
89 1 2 . 1 1 8 8 SER H H 8 8.124 8.124 7.776 0.348 19829
90 1 2 . 1 1 9 9 VAL N N 9 121.580 121.580 116.094 5.486 19829
91 1 2 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.147 -0.306 19829
92 1 2 . 1 1 9 9 VAL CA C 9 61.986 61.986 63.083 -1.097 19829
93 1 2 . 1 1 9 9 VAL CB C 9 31.851 31.851 32.634 -0.783 19829
94 1 2 . 1 1 9 9 VAL H H 9 7.958 7.958 7.409 0.549 19829
95 1 2 . 1 1 10 10 PHE N N 10 123.076 123.076 117.995 5.081 19829
96 1 2 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.485 -0.128 19829
97 1 2 . 1 1 10 10 PHE H H 10 8.020 8.020 7.431 0.589 19829
98 1 2 . 1 1 11 11 PHE N N 11 122.150 122.150 117.549 4.601 19829
99 1 2 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.300 0.055 19829
100 1 2 . 1 1 11 11 PHE CA C 11 57.157 57.157 60.963 -3.806 19829
101 1 2 . 1 1 11 11 PHE H H 11 7.921 7.921 7.849 0.072 19829
102 1 2 . 1 1 12 12 ARG N N 12 123.435 123.435 118.255 5.180 19829
103 1 2 . 1 1 12 12 ARG HA H 12 4.021 4.021 4.369 -0.348 19829
104 1 2 . 1 1 12 12 ARG CB C 12 30.049 30.049 28.079 1.970 19829
105 1 2 . 1 1 12 12 ARG H H 12 7.937 7.937 8.389 -0.452 19829
106 1 2 . 1 1 13 13 LYS N N 13 123.050 123.050 119.455 3.595 19829
107 1 2 . 1 1 13 13 LYS HA H 13 4.010 4.010 4.408 -0.398 19829
108 1 2 . 1 1 13 13 LYS CA C 13 55.548 55.548 57.515 -1.967 19829
109 1 2 . 1 1 13 13 LYS CB C 13 32.423 32.423 33.963 -1.540 19829
110 1 2 . 1 1 13 13 LYS H H 13 8.132 8.132 8.477 -0.345 19829
111 1 2 . 1 1 14 14 HIS N N 14 121.316 121.316 120.232 1.084 19829
112 1 2 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.388 0.109 19829
113 1 2 . 1 1 14 14 HIS CA C 14 54.924 54.924 58.032 -3.108 19829
114 1 2 . 1 1 14 14 HIS CB C 14 29.102 29.102 30.106 -1.004 19829
115 1 2 . 1 1 14 14 HIS H H 14 8.398 8.398 8.311 0.087 19829
116 1 2 . 1 1 15 15 ILE N N 15 124.029 124.029 118.947 5.082 19829
117 1 2 . 1 1 15 15 ILE HA H 15 4.044 4.044 3.944 0.100 19829
118 1 2 . 1 1 15 15 ILE CA C 15 60.543 60.543 62.054 -1.511 19829
119 1 2 . 1 1 15 15 ILE CB C 15 38.059 38.059 38.439 -0.380 19829
120 1 2 . 1 1 15 15 ILE H H 15 8.151 8.151 8.328 -0.177 19829
121 1 3 . 1 1 2 2 LYS HA H 2 4.102 4.102 4.474 -0.372 19829
122 1 3 . 1 1 2 2 LYS CA C 2 55.784 55.784 55.946 -0.162 19829
123 1 3 . 1 1 2 2 LYS CB C 2 32.422 32.422 33.263 -0.841 19829
124 1 3 . 1 1 3 3 PHE N N 3 122.251 122.251 122.326 -0.075 19829
125 1 3 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.451 -0.062 19829
126 1 3 . 1 1 3 3 PHE CA C 3 57.120 57.120 57.481 -0.361 19829
127 1 3 . 1 1 3 3 PHE CB C 3 38.819 38.819 39.795 -0.976 19829
128 1 3 . 1 1 3 3 PHE H H 3 8.304 8.304 8.387 -0.083 19829
129 1 3 . 1 1 4 4 ARG N N 4 124.460 124.460 118.904 5.556 19829
130 1 3 . 1 1 4 4 ARG HA H 4 4.022 4.022 4.177 -0.155 19829
131 1 3 . 1 1 4 4 ARG CA C 4 55.240 55.240 56.924 -1.684 19829
132 1 3 . 1 1 4 4 ARG CB C 4 30.166 30.166 29.268 0.898 19829
133 1 3 . 1 1 4 4 ARG H H 4 8.107 8.107 8.684 -0.577 19829
134 1 3 . 1 1 5 5 ARG N N 5 123.055 123.055 118.416 4.639 19829
135 1 3 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.336 -0.329 19829
136 1 3 . 1 1 5 5 ARG CB C 5 30.181 30.181 30.024 0.157 19829
137 1 3 . 1 1 5 5 ARG H H 5 8.138 8.138 8.327 -0.189 19829
138 1 3 . 1 1 6 6 TYR N N 6 121.633 121.633 118.489 3.144 19829
139 1 3 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.826 -0.442 19829
140 1 3 . 1 1 6 6 TYR CA C 6 57.103 57.103 59.528 -2.425 19829
141 1 3 . 1 1 6 6 TYR H H 6 8.157 8.157 7.740 0.417 19829
142 1 3 . 1 1 7 7 LEU N N 7 124.288 124.288 120.555 3.733 19829
143 1 3 . 1 1 7 7 LEU HA H 7 4.167 4.167 4.771 -0.604 19829
144 1 3 . 1 1 7 7 LEU CA C 7 54.203 54.203 56.749 -2.546 19829
145 1 3 . 1 1 7 7 LEU H H 7 8.028 8.028 8.366 -0.338 19829
146 1 3 . 1 1 8 8 SER N N 8 117.094 117.094 114.423 2.671 19829
147 1 3 . 1 1 8 8 SER HA H 8 4.214 4.214 4.363 -0.149 19829
148 1 3 . 1 1 8 8 SER CA C 8 57.600 57.600 60.875 -3.275 19829
149 1 3 . 1 1 8 8 SER H H 8 8.124 8.124 8.505 -0.381 19829
150 1 3 . 1 1 9 9 VAL N N 9 121.580 121.580 114.340 7.240 19829
151 1 3 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.356 -0.515 19829
152 1 3 . 1 1 9 9 VAL CA C 9 61.986 61.986 63.187 -1.201 19829
153 1 3 . 1 1 9 9 VAL CB C 9 31.851 31.851 32.434 -0.583 19829
154 1 3 . 1 1 9 9 VAL H H 9 7.958 7.958 7.467 0.491 19829
155 1 3 . 1 1 10 10 PHE N N 10 123.076 123.076 120.664 2.412 19829
156 1 3 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.473 -0.116 19829
157 1 3 . 1 1 10 10 PHE H H 10 8.020 8.020 7.965 0.055 19829
158 1 3 . 1 1 11 11 PHE N N 11 122.150 122.150 117.388 4.762 19829
159 1 3 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.398 -0.043 19829
160 1 3 . 1 1 11 11 PHE CA C 11 57.157 57.157 61.103 -3.946 19829
161 1 3 . 1 1 11 11 PHE H H 11 7.921 7.921 7.982 -0.061 19829
162 1 3 . 1 1 12 12 ARG N N 12 123.435 123.435 120.570 2.865 19829
163 1 3 . 1 1 12 12 ARG HA H 12 4.021 4.021 4.291 -0.270 19829
164 1 3 . 1 1 12 12 ARG CB C 12 30.049 30.049 28.386 1.663 19829
165 1 3 . 1 1 12 12 ARG H H 12 7.937 7.937 7.803 0.134 19829
166 1 3 . 1 1 13 13 LYS N N 13 123.050 123.050 119.253 3.797 19829
167 1 3 . 1 1 13 13 LYS HA H 13 4.010 4.010 4.360 -0.350 19829
168 1 3 . 1 1 13 13 LYS CA C 13 55.548 55.548 56.448 -0.900 19829
169 1 3 . 1 1 13 13 LYS CB C 13 32.423 32.423 33.202 -0.779 19829
170 1 3 . 1 1 13 13 LYS H H 13 8.132 8.132 8.278 -0.146 19829
171 1 3 . 1 1 14 14 HIS N N 14 121.316 121.316 116.227 5.089 19829
172 1 3 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.539 -0.042 19829
173 1 3 . 1 1 14 14 HIS CA C 14 54.924 54.924 57.125 -2.201 19829
174 1 3 . 1 1 14 14 HIS CB C 14 29.102 29.102 30.760 -1.658 19829
175 1 3 . 1 1 14 14 HIS H H 14 8.398 8.398 8.199 0.199 19829
176 1 3 . 1 1 15 15 ILE N N 15 124.029 124.029 120.205 3.824 19829
177 1 3 . 1 1 15 15 ILE HA H 15 4.044 4.044 4.205 -0.161 19829
178 1 3 . 1 1 15 15 ILE CA C 15 60.543 60.543 62.658 -2.115 19829
179 1 3 . 1 1 15 15 ILE CB C 15 38.059 38.059 38.526 -0.467 19829
180 1 3 . 1 1 15 15 ILE H H 15 8.151 8.151 8.724 -0.573 19829
181 1 4 . 1 1 2 2 LYS HA H 2 4.102 4.102 4.867 -0.765 19829
182 1 4 . 1 1 2 2 LYS CA C 2 55.784 55.784 56.117 -0.333 19829
183 1 4 . 1 1 2 2 LYS CB C 2 32.422 32.422 33.433 -1.011 19829
184 1 4 . 1 1 3 3 PHE N N 3 122.251 122.251 116.669 5.582 19829
185 1 4 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.777 -0.388 19829
186 1 4 . 1 1 3 3 PHE CA C 3 57.120 57.120 57.206 -0.086 19829
187 1 4 . 1 1 3 3 PHE CB C 3 38.819 38.819 40.225 -1.406 19829
188 1 4 . 1 1 3 3 PHE H H 3 8.304 8.304 8.329 -0.025 19829
189 1 4 . 1 1 4 4 ARG N N 4 124.460 124.460 123.317 1.143 19829
190 1 4 . 1 1 4 4 ARG HA H 4 4.022 4.022 4.296 -0.274 19829
191 1 4 . 1 1 4 4 ARG CA C 4 55.240 55.240 55.487 -0.247 19829
192 1 4 . 1 1 4 4 ARG CB C 4 30.166 30.166 28.082 2.084 19829
193 1 4 . 1 1 4 4 ARG H H 4 8.107 8.107 8.300 -0.193 19829
194 1 4 . 1 1 5 5 ARG N N 5 123.055 123.055 118.149 4.906 19829
195 1 4 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.488 -0.481 19829
196 1 4 . 1 1 5 5 ARG CB C 5 30.181 30.181 30.562 -0.381 19829
197 1 4 . 1 1 5 5 ARG H H 5 8.138 8.138 7.579 0.559 19829
198 1 4 . 1 1 6 6 TYR N N 6 121.633 121.633 117.942 3.691 19829
199 1 4 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.751 -0.367 19829
200 1 4 . 1 1 6 6 TYR CA C 6 57.103 57.103 58.187 -1.084 19829
201 1 4 . 1 1 6 6 TYR H H 6 8.157 8.157 8.125 0.032 19829
202 1 4 . 1 1 7 7 LEU N N 7 124.288 124.288 120.573 3.715 19829
203 1 4 . 1 1 7 7 LEU HA H 7 4.167 4.167 4.004 0.163 19829
204 1 4 . 1 1 7 7 LEU CA C 7 54.203 54.203 56.605 -2.402 19829
205 1 4 . 1 1 7 7 LEU H H 7 8.028 8.028 7.850 0.178 19829
206 1 4 . 1 1 8 8 SER N N 8 117.094 117.094 114.108 2.986 19829
207 1 4 . 1 1 8 8 SER HA H 8 4.214 4.214 4.252 -0.038 19829
208 1 4 . 1 1 8 8 SER CA C 8 57.600 57.600 60.605 -3.005 19829
209 1 4 . 1 1 8 8 SER H H 8 8.124 8.124 8.390 -0.266 19829
210 1 4 . 1 1 9 9 VAL N N 9 121.580 121.580 119.233 2.347 19829
211 1 4 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.152 -0.311 19829
212 1 4 . 1 1 9 9 VAL CA C 9 61.986 61.986 63.171 -1.185 19829
213 1 4 . 1 1 9 9 VAL CB C 9 31.851 31.851 32.625 -0.774 19829
214 1 4 . 1 1 9 9 VAL H H 9 7.958 7.958 7.402 0.556 19829
215 1 4 . 1 1 10 10 PHE N N 10 123.076 123.076 122.494 0.582 19829
216 1 4 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.203 0.154 19829
217 1 4 . 1 1 10 10 PHE H H 10 8.020 8.020 8.154 -0.134 19829
218 1 4 . 1 1 11 11 PHE N N 11 122.150 122.150 115.101 7.049 19829
219 1 4 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.558 -0.203 19829
220 1 4 . 1 1 11 11 PHE CA C 11 57.157 57.157 59.558 -2.401 19829
221 1 4 . 1 1 11 11 PHE H H 11 7.921 7.921 7.735 0.186 19829
222 1 4 . 1 1 12 12 ARG N N 12 123.435 123.435 121.110 2.325 19829
223 1 4 . 1 1 12 12 ARG HA H 12 4.021 4.021 4.387 -0.366 19829
224 1 4 . 1 1 12 12 ARG CB C 12 30.049 30.049 28.537 1.512 19829
225 1 4 . 1 1 12 12 ARG H H 12 7.937 7.937 7.755 0.182 19829
226 1 4 . 1 1 13 13 LYS N N 13 123.050 123.050 119.131 3.919 19829
227 1 4 . 1 1 13 13 LYS HA H 13 4.010 4.010 4.370 -0.360 19829
228 1 4 . 1 1 13 13 LYS CA C 13 55.548 55.548 56.300 -0.752 19829
229 1 4 . 1 1 13 13 LYS CB C 13 32.423 32.423 32.182 0.241 19829
230 1 4 . 1 1 13 13 LYS H H 13 8.132 8.132 7.804 0.328 19829
231 1 4 . 1 1 14 14 HIS N N 14 121.316 121.316 116.636 4.680 19829
232 1 4 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.540 -0.043 19829
233 1 4 . 1 1 14 14 HIS CA C 14 54.924 54.924 57.323 -2.399 19829
234 1 4 . 1 1 14 14 HIS CB C 14 29.102 29.102 30.632 -1.530 19829
235 1 4 . 1 1 14 14 HIS H H 14 8.398 8.398 8.239 0.159 19829
236 1 4 . 1 1 15 15 ILE N N 15 124.029 124.029 118.907 5.122 19829
237 1 4 . 1 1 15 15 ILE HA H 15 4.044 4.044 4.309 -0.265 19829
238 1 4 . 1 1 15 15 ILE CA C 15 60.543 60.543 62.066 -1.523 19829
239 1 4 . 1 1 15 15 ILE CB C 15 38.059 38.059 39.040 -0.981 19829
240 1 4 . 1 1 15 15 ILE H H 15 8.151 8.151 8.238 -0.087 19829
241 1 5 . 1 1 2 2 LYS HA H 2 4.102 4.102 4.747 -0.645 19829
242 1 5 . 1 1 2 2 LYS CA C 2 55.784 55.784 56.129 -0.345 19829
243 1 5 . 1 1 2 2 LYS CB C 2 32.422 32.422 32.162 0.260 19829
244 1 5 . 1 1 3 3 PHE N N 3 122.251 122.251 120.893 1.358 19829
245 1 5 . 1 1 3 3 PHE HA H 3 4.389 4.389 5.168 -0.779 19829
246 1 5 . 1 1 3 3 PHE CA C 3 57.120 57.120 57.304 -0.184 19829
247 1 5 . 1 1 3 3 PHE CB C 3 38.819 38.819 40.085 -1.266 19829
248 1 5 . 1 1 3 3 PHE H H 3 8.304 8.304 8.136 0.168 19829
249 1 5 . 1 1 4 4 ARG N N 4 124.460 124.460 118.600 5.860 19829
250 1 5 . 1 1 4 4 ARG HA H 4 4.022 4.022 4.056 -0.034 19829
251 1 5 . 1 1 4 4 ARG CA C 4 55.240 55.240 56.953 -1.713 19829
252 1 5 . 1 1 4 4 ARG CB C 4 30.166 30.166 28.091 2.075 19829
253 1 5 . 1 1 4 4 ARG H H 4 8.107 8.107 9.009 -0.902 19829
254 1 5 . 1 1 5 5 ARG N N 5 123.055 123.055 115.038 8.017 19829
255 1 5 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.282 -0.275 19829
256 1 5 . 1 1 5 5 ARG CB C 5 30.181 30.181 29.708 0.473 19829
257 1 5 . 1 1 5 5 ARG H H 5 8.138 8.138 8.200 -0.062 19829
258 1 5 . 1 1 6 6 TYR N N 6 121.633 121.633 118.445 3.188 19829
259 1 5 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.757 -0.373 19829
260 1 5 . 1 1 6 6 TYR CA C 6 57.103 57.103 59.279 -2.175 19829
261 1 5 . 1 1 6 6 TYR H H 6 8.157 8.157 7.783 0.374 19829
262 1 5 . 1 1 7 7 LEU N N 7 124.288 124.288 121.099 3.189 19829
263 1 5 . 1 1 7 7 LEU HA H 7 4.167 4.167 4.748 -0.581 19829
264 1 5 . 1 1 7 7 LEU CA C 7 54.203 54.203 57.075 -2.872 19829
265 1 5 . 1 1 7 7 LEU H H 7 8.028 8.028 8.493 -0.465 19829
266 1 5 . 1 1 8 8 SER N N 8 117.094 117.094 113.897 3.197 19829
267 1 5 . 1 1 8 8 SER HA H 8 4.214 4.214 4.305 -0.091 19829
268 1 5 . 1 1 8 8 SER CA C 8 57.600 57.600 60.776 -3.176 19829
269 1 5 . 1 1 8 8 SER H H 8 8.124 8.124 8.352 -0.228 19829
270 1 5 . 1 1 9 9 VAL N N 9 121.580 121.580 119.160 2.420 19829
271 1 5 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.225 -0.384 19829
272 1 5 . 1 1 9 9 VAL CA C 9 61.986 61.986 64.099 -2.113 19829
273 1 5 . 1 1 9 9 VAL CB C 9 31.851 31.851 33.249 -1.398 19829
274 1 5 . 1 1 9 9 VAL H H 9 7.958 7.958 7.506 0.452 19829
275 1 5 . 1 1 10 10 PHE N N 10 123.076 123.076 122.392 0.684 19829
276 1 5 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.201 0.156 19829
277 1 5 . 1 1 10 10 PHE H H 10 8.020 8.020 8.751 -0.731 19829
278 1 5 . 1 1 11 11 PHE N N 11 122.150 122.150 116.594 5.556 19829
279 1 5 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.202 0.153 19829
280 1 5 . 1 1 11 11 PHE CA C 11 57.157 57.157 60.644 -3.487 19829
281 1 5 . 1 1 11 11 PHE H H 11 7.921 7.921 7.608 0.313 19829
282 1 5 . 1 1 12 12 ARG N N 12 123.435 123.435 119.615 3.820 19829
283 1 5 . 1 1 12 12 ARG HA H 12 4.021 4.021 4.086 -0.065 19829
284 1 5 . 1 1 12 12 ARG CB C 12 30.049 30.049 28.392 1.657 19829
285 1 5 . 1 1 12 12 ARG H H 12 7.937 7.937 8.090 -0.153 19829
286 1 5 . 1 1 13 13 LYS N N 13 123.050 123.050 121.217 1.833 19829
287 1 5 . 1 1 13 13 LYS HA H 13 4.010 4.010 4.056 -0.046 19829
288 1 5 . 1 1 13 13 LYS CA C 13 55.548 55.548 58.245 -2.697 19829
289 1 5 . 1 1 13 13 LYS CB C 13 32.423 32.423 32.619 -0.196 19829
290 1 5 . 1 1 13 13 LYS H H 13 8.132 8.132 8.074 0.058 19829
291 1 5 . 1 1 14 14 HIS N N 14 121.316 121.316 117.904 3.412 19829
292 1 5 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.326 0.171 19829
293 1 5 . 1 1 14 14 HIS CA C 14 54.924 54.924 58.339 -3.415 19829
294 1 5 . 1 1 14 14 HIS CB C 14 29.102 29.102 28.546 0.556 19829
295 1 5 . 1 1 14 14 HIS H H 14 8.398 8.398 8.272 0.126 19829
296 1 5 . 1 1 15 15 ILE N N 15 124.029 124.029 120.060 3.969 19829
297 1 5 . 1 1 15 15 ILE HA H 15 4.044 4.044 4.005 0.039 19829
298 1 5 . 1 1 15 15 ILE CA C 15 60.543 60.543 62.337 -1.794 19829
299 1 5 . 1 1 15 15 ILE CB C 15 38.059 38.059 38.245 -0.186 19829
300 1 5 . 1 1 15 15 ILE H H 15 8.151 8.151 7.688 0.463 19829
301 1 6 . 1 1 2 2 LYS HA H 2 4.102 4.102 4.739 -0.637 19829
302 1 6 . 1 1 2 2 LYS CA C 2 55.784 55.784 56.094 -0.310 19829
303 1 6 . 1 1 2 2 LYS CB C 2 32.422 32.422 33.372 -0.950 19829
304 1 6 . 1 1 3 3 PHE N N 3 122.251 122.251 117.673 4.578 19829
305 1 6 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.780 -0.391 19829
306 1 6 . 1 1 3 3 PHE CA C 3 57.120 57.120 57.146 -0.026 19829
307 1 6 . 1 1 3 3 PHE CB C 3 38.819 38.819 39.898 -1.079 19829
308 1 6 . 1 1 3 3 PHE H H 3 8.304 8.304 8.197 0.107 19829
309 1 6 . 1 1 4 4 ARG N N 4 124.460 124.460 123.297 1.163 19829
310 1 6 . 1 1 4 4 ARG HA H 4 4.022 4.022 4.333 -0.311 19829
311 1 6 . 1 1 4 4 ARG CA C 4 55.240 55.240 55.354 -0.114 19829
312 1 6 . 1 1 4 4 ARG CB C 4 30.166 30.166 28.295 1.871 19829
313 1 6 . 1 1 4 4 ARG H H 4 8.107 8.107 8.337 -0.230 19829
314 1 6 . 1 1 5 5 ARG N N 5 123.055 123.055 118.473 4.582 19829
315 1 6 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.232 -0.225 19829
316 1 6 . 1 1 5 5 ARG CB C 5 30.181 30.181 29.837 0.344 19829
317 1 6 . 1 1 5 5 ARG H H 5 8.138 8.138 7.605 0.533 19829
318 1 6 . 1 1 6 6 TYR N N 6 121.633 121.633 116.440 5.193 19829
319 1 6 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.716 -0.332 19829
320 1 6 . 1 1 6 6 TYR CA C 6 57.103 57.103 59.422 -2.319 19829
321 1 6 . 1 1 6 6 TYR H H 6 8.157 8.157 7.885 0.272 19829
322 1 6 . 1 1 7 7 LEU N N 7 124.288 124.288 119.057 5.231 19829
323 1 6 . 1 1 7 7 LEU HA H 7 4.167 4.167 4.494 -0.327 19829
324 1 6 . 1 1 7 7 LEU CA C 7 54.203 54.203 56.591 -2.388 19829
325 1 6 . 1 1 7 7 LEU H H 7 8.028 8.028 8.432 -0.404 19829
326 1 6 . 1 1 8 8 SER N N 8 117.094 117.094 113.489 3.605 19829
327 1 6 . 1 1 8 8 SER HA H 8 4.214 4.214 4.309 -0.095 19829
328 1 6 . 1 1 8 8 SER CA C 8 57.600 57.600 60.976 -3.376 19829
329 1 6 . 1 1 8 8 SER H H 8 8.124 8.124 8.430 -0.306 19829
330 1 6 . 1 1 9 9 VAL N N 9 121.580 121.580 113.602 7.978 19829
331 1 6 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.327 -0.486 19829
332 1 6 . 1 1 9 9 VAL CA C 9 61.986 61.986 63.073 -1.087 19829
333 1 6 . 1 1 9 9 VAL CB C 9 31.851 31.851 32.902 -1.051 19829
334 1 6 . 1 1 9 9 VAL H H 9 7.958 7.958 7.512 0.446 19829
335 1 6 . 1 1 10 10 PHE N N 10 123.076 123.076 120.798 2.278 19829
336 1 6 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.444 -0.087 19829
337 1 6 . 1 1 10 10 PHE H H 10 8.020 8.020 7.678 0.342 19829
338 1 6 . 1 1 11 11 PHE N N 11 122.150 122.150 116.761 5.389 19829
339 1 6 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.582 -0.228 19829
340 1 6 . 1 1 11 11 PHE CA C 11 57.157 57.157 58.664 -1.508 19829
341 1 6 . 1 1 11 11 PHE H H 11 7.921 7.921 8.188 -0.267 19829
342 1 6 . 1 1 12 12 ARG N N 12 123.435 123.435 118.706 4.729 19829
343 1 6 . 1 1 12 12 ARG HA H 12 4.021 4.021 4.431 -0.410 19829
344 1 6 . 1 1 12 12 ARG CB C 12 30.049 30.049 29.294 0.755 19829
345 1 6 . 1 1 12 12 ARG H H 12 7.937 7.937 7.770 0.167 19829
346 1 6 . 1 1 13 13 LYS N N 13 123.050 123.050 119.374 3.676 19829
347 1 6 . 1 1 13 13 LYS HA H 13 4.010 4.010 4.256 -0.246 19829
348 1 6 . 1 1 13 13 LYS CA C 13 55.548 55.548 57.858 -2.310 19829
349 1 6 . 1 1 13 13 LYS CB C 13 32.423 32.423 32.815 -0.391 19829
350 1 6 . 1 1 13 13 LYS H H 13 8.132 8.132 8.115 0.017 19829
351 1 6 . 1 1 14 14 HIS N N 14 121.316 121.316 118.419 2.897 19829
352 1 6 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.411 0.086 19829
353 1 6 . 1 1 14 14 HIS CA C 14 54.924 54.924 58.457 -3.533 19829
354 1 6 . 1 1 14 14 HIS CB C 14 29.102 29.102 30.025 -0.923 19829
355 1 6 . 1 1 14 14 HIS H H 14 8.398 8.398 8.313 0.085 19829
356 1 6 . 1 1 15 15 ILE N N 15 124.029 124.029 117.284 6.745 19829
357 1 6 . 1 1 15 15 ILE HA H 15 4.044 4.044 4.079 -0.035 19829
358 1 6 . 1 1 15 15 ILE CA C 15 60.543 60.543 61.881 -1.338 19829
359 1 6 . 1 1 15 15 ILE CB C 15 38.059 38.059 38.969 -0.911 19829
360 1 6 . 1 1 15 15 ILE H H 15 8.151 8.151 8.013 0.138 19829
361 1 7 . 1 1 2 2 LYS HA H 2 4.102 4.102 4.448 -0.346 19829
362 1 7 . 1 1 2 2 LYS CA C 2 55.784 55.784 57.015 -1.231 19829
363 1 7 . 1 1 2 2 LYS CB C 2 32.422 32.422 32.626 -0.204 19829
364 1 7 . 1 1 3 3 PHE N N 3 122.251 122.251 118.929 3.322 19829
365 1 7 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.234 0.155 19829
366 1 7 . 1 1 3 3 PHE CA C 3 57.120 57.120 61.239 -4.119 19829
367 1 7 . 1 1 3 3 PHE CB C 3 38.819 38.819 38.768 0.051 19829
368 1 7 . 1 1 3 3 PHE H H 3 8.304 8.304 8.155 0.149 19829
369 1 7 . 1 1 4 4 ARG N N 4 124.460 124.460 119.334 5.126 19829
370 1 7 . 1 1 4 4 ARG HA H 4 4.022 4.022 4.074 -0.052 19829
371 1 7 . 1 1 4 4 ARG CA C 4 55.240 55.240 57.469 -2.229 19829
372 1 7 . 1 1 4 4 ARG CB C 4 30.166 30.166 29.779 0.387 19829
373 1 7 . 1 1 4 4 ARG H H 4 8.107 8.107 8.690 -0.583 19829
374 1 7 . 1 1 5 5 ARG N N 5 123.055 123.055 116.042 7.013 19829
375 1 7 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.516 -0.509 19829
376 1 7 . 1 1 5 5 ARG CB C 5 30.181 30.181 30.329 -0.148 19829
377 1 7 . 1 1 5 5 ARG H H 5 8.138 8.138 8.263 -0.125 19829
378 1 7 . 1 1 6 6 TYR N N 6 121.633 121.633 116.184 5.449 19829
379 1 7 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.872 -0.488 19829
380 1 7 . 1 1 6 6 TYR CA C 6 57.103 57.103 57.864 -0.761 19829
381 1 7 . 1 1 6 6 TYR H H 6 8.157 8.157 8.099 0.058 19829
382 1 7 . 1 1 7 7 LEU N N 7 124.288 124.288 122.540 1.748 19829
383 1 7 . 1 1 7 7 LEU HA H 7 4.167 4.167 4.405 -0.238 19829
384 1 7 . 1 1 7 7 LEU CA C 7 54.203 54.203 55.999 -1.796 19829
385 1 7 . 1 1 7 7 LEU H H 7 8.028 8.028 7.884 0.144 19829
386 1 7 . 1 1 8 8 SER N N 8 117.094 117.094 113.586 3.508 19829
387 1 7 . 1 1 8 8 SER HA H 8 4.214 4.214 4.512 -0.298 19829
388 1 7 . 1 1 8 8 SER CA C 8 57.600 57.600 60.859 -3.259 19829
389 1 7 . 1 1 8 8 SER H H 8 8.124 8.124 8.463 -0.339 19829
390 1 7 . 1 1 9 9 VAL N N 9 121.580 121.580 116.390 5.190 19829
391 1 7 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.148 -0.307 19829
392 1 7 . 1 1 9 9 VAL CA C 9 61.986 61.986 63.965 -1.979 19829
393 1 7 . 1 1 9 9 VAL CB C 9 31.851 31.851 32.055 -0.204 19829
394 1 7 . 1 1 9 9 VAL H H 9 7.958 7.958 7.280 0.678 19829
395 1 7 . 1 1 10 10 PHE N N 10 123.076 123.076 118.135 4.941 19829
396 1 7 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.489 -0.132 19829
397 1 7 . 1 1 10 10 PHE H H 10 8.020 8.020 7.373 0.647 19829
398 1 7 . 1 1 11 11 PHE N N 11 122.150 122.150 116.284 5.866 19829
399 1 7 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.301 0.054 19829
400 1 7 . 1 1 11 11 PHE CA C 11 57.157 57.157 60.725 -3.568 19829
401 1 7 . 1 1 11 11 PHE H H 11 7.921 7.921 7.700 0.221 19829
402 1 7 . 1 1 12 12 ARG N N 12 123.435 123.435 118.468 4.967 19829
403 1 7 . 1 1 12 12 ARG HA H 12 4.021 4.021 4.351 -0.330 19829
404 1 7 . 1 1 12 12 ARG CB C 12 30.049 30.049 28.434 1.615 19829
405 1 7 . 1 1 12 12 ARG H H 12 7.937 7.937 8.397 -0.460 19829
406 1 7 . 1 1 13 13 LYS N N 13 123.050 123.050 118.208 4.842 19829
407 1 7 . 1 1 13 13 LYS HA H 13 4.010 4.010 4.390 -0.380 19829
408 1 7 . 1 1 13 13 LYS CA C 13 55.548 55.548 56.898 -1.350 19829
409 1 7 . 1 1 13 13 LYS CB C 13 32.423 32.423 34.312 -1.889 19829
410 1 7 . 1 1 13 13 LYS H H 13 8.132 8.132 8.245 -0.114 19829
411 1 7 . 1 1 14 14 HIS N N 14 121.316 121.316 117.898 3.418 19829
412 1 7 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.494 0.003 19829
413 1 7 . 1 1 14 14 HIS CA C 14 54.924 54.924 58.719 -3.795 19829
414 1 7 . 1 1 14 14 HIS CB C 14 29.102 29.102 30.310 -1.208 19829
415 1 7 . 1 1 14 14 HIS H H 14 8.398 8.398 8.225 0.173 19829
416 1 7 . 1 1 15 15 ILE N N 15 124.029 124.029 119.889 4.140 19829
417 1 7 . 1 1 15 15 ILE HA H 15 4.044 4.044 4.065 -0.021 19829
418 1 7 . 1 1 15 15 ILE CA C 15 60.543 60.543 62.527 -1.984 19829
419 1 7 . 1 1 15 15 ILE CB C 15 38.059 38.059 38.640 -0.581 19829
420 1 7 . 1 1 15 15 ILE H H 15 8.151 8.151 8.537 -0.386 19829
421 1 8 . 1 1 2 2 LYS HA H 2 4.102 4.102 4.540 -0.438 19829
422 1 8 . 1 1 2 2 LYS CA C 2 55.784 55.784 54.939 0.845 19829
423 1 8 . 1 1 2 2 LYS CB C 2 32.422 32.422 33.220 -0.798 19829
424 1 8 . 1 1 3 3 PHE N N 3 122.251 122.251 123.794 -1.543 19829
425 1 8 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.716 -0.327 19829
426 1 8 . 1 1 3 3 PHE CA C 3 57.120 57.120 58.058 -0.938 19829
427 1 8 . 1 1 3 3 PHE CB C 3 38.819 38.819 39.528 -0.709 19829
428 1 8 . 1 1 3 3 PHE H H 3 8.304 8.304 8.276 0.028 19829
429 1 8 . 1 1 4 4 ARG N N 4 124.460 124.460 116.648 7.812 19829
430 1 8 . 1 1 4 4 ARG HA H 4 4.022 4.022 4.124 -0.102 19829
431 1 8 . 1 1 4 4 ARG CA C 4 55.240 55.240 57.507 -2.267 19829
432 1 8 . 1 1 4 4 ARG CB C 4 30.166 30.166 27.345 2.821 19829
433 1 8 . 1 1 4 4 ARG H H 4 8.107 8.107 9.052 -0.945 19829
434 1 8 . 1 1 5 5 ARG N N 5 123.055 123.055 116.283 6.772 19829
435 1 8 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.349 -0.342 19829
436 1 8 . 1 1 5 5 ARG CB C 5 30.181 30.181 29.941 0.240 19829
437 1 8 . 1 1 5 5 ARG H H 5 8.138 8.138 7.888 0.250 19829
438 1 8 . 1 1 6 6 TYR N N 6 121.633 121.633 119.890 1.743 19829
439 1 8 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.577 -0.193 19829
440 1 8 . 1 1 6 6 TYR CA C 6 57.103 57.103 59.922 -2.818 19829
441 1 8 . 1 1 6 6 TYR H H 6 8.157 8.157 7.817 0.340 19829
442 1 8 . 1 1 7 7 LEU N N 7 124.288 124.288 121.319 2.969 19829
443 1 8 . 1 1 7 7 LEU HA H 7 4.167 4.167 4.559 -0.392 19829
444 1 8 . 1 1 7 7 LEU CA C 7 54.203 54.203 57.223 -3.020 19829
445 1 8 . 1 1 7 7 LEU H H 7 8.028 8.028 8.539 -0.511 19829
446 1 8 . 1 1 8 8 SER N N 8 117.094 117.094 113.884 3.210 19829
447 1 8 . 1 1 8 8 SER HA H 8 4.214 4.214 4.387 -0.173 19829
448 1 8 . 1 1 8 8 SER CA C 8 57.600 57.600 61.533 -3.933 19829
449 1 8 . 1 1 8 8 SER H H 8 8.124 8.124 8.319 -0.195 19829
450 1 8 . 1 1 9 9 VAL N N 9 121.580 121.580 114.933 6.647 19829
451 1 8 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.290 -0.449 19829
452 1 8 . 1 1 9 9 VAL CA C 9 61.986 61.986 63.162 -1.176 19829
453 1 8 . 1 1 9 9 VAL CB C 9 31.851 31.851 32.068 -0.217 19829
454 1 8 . 1 1 9 9 VAL H H 9 7.958 7.958 7.812 0.146 19829
455 1 8 . 1 1 10 10 PHE N N 10 123.076 123.076 121.431 1.645 19829
456 1 8 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.515 -0.158 19829
457 1 8 . 1 1 10 10 PHE H H 10 8.020 8.020 7.610 0.410 19829
458 1 8 . 1 1 11 11 PHE N N 11 122.150 122.150 116.889 5.261 19829
459 1 8 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.364 -0.009 19829
460 1 8 . 1 1 11 11 PHE CA C 11 57.157 57.157 60.752 -3.595 19829
461 1 8 . 1 1 11 11 PHE H H 11 7.921 7.921 8.286 -0.365 19829
462 1 8 . 1 1 12 12 ARG N N 12 123.435 123.435 119.209 4.226 19829
463 1 8 . 1 1 12 12 ARG HA H 12 4.021 4.021 4.317 -0.296 19829
464 1 8 . 1 1 12 12 ARG CB C 12 30.049 30.049 28.462 1.587 19829
465 1 8 . 1 1 12 12 ARG H H 12 7.937 7.937 8.435 -0.498 19829
466 1 8 . 1 1 13 13 LYS N N 13 123.050 123.050 119.334 3.716 19829
467 1 8 . 1 1 13 13 LYS HA H 13 4.010 4.010 4.472 -0.462 19829
468 1 8 . 1 1 13 13 LYS CA C 13 55.548 55.548 57.196 -1.648 19829
469 1 8 . 1 1 13 13 LYS CB C 13 32.423 32.423 33.869 -1.446 19829
470 1 8 . 1 1 13 13 LYS H H 13 8.132 8.132 8.402 -0.270 19829
471 1 8 . 1 1 14 14 HIS N N 14 121.316 121.316 117.954 3.362 19829
472 1 8 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.530 -0.033 19829
473 1 8 . 1 1 14 14 HIS CA C 14 54.924 54.924 57.654 -2.730 19829
474 1 8 . 1 1 14 14 HIS CB C 14 29.102 29.102 30.753 -1.651 19829
475 1 8 . 1 1 14 14 HIS H H 14 8.398 8.398 7.998 0.400 19829
476 1 8 . 1 1 15 15 ILE N N 15 124.029 124.029 119.566 4.463 19829
477 1 8 . 1 1 15 15 ILE HA H 15 4.044 4.044 4.042 0.002 19829
478 1 8 . 1 1 15 15 ILE CA C 15 60.543 60.543 62.934 -2.390 19829
479 1 8 . 1 1 15 15 ILE CB C 15 38.059 38.059 38.807 -0.748 19829
480 1 8 . 1 1 15 15 ILE H H 15 8.151 8.151 8.457 -0.306 19829
481 1 9 . 1 1 2 2 LYS HA H 2 4.102 4.102 4.735 -0.633 19829
482 1 9 . 1 1 2 2 LYS CA C 2 55.784 55.784 56.132 -0.348 19829
483 1 9 . 1 1 2 2 LYS CB C 2 32.422 32.422 33.529 -1.107 19829
484 1 9 . 1 1 3 3 PHE N N 3 122.251 122.251 121.062 1.189 19829
485 1 9 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.978 -0.589 19829
486 1 9 . 1 1 3 3 PHE CA C 3 57.120 57.120 57.026 0.094 19829
487 1 9 . 1 1 3 3 PHE CB C 3 38.819 38.819 39.726 -0.907 19829
488 1 9 . 1 1 3 3 PHE H H 3 8.304 8.304 8.367 -0.063 19829
489 1 9 . 1 1 4 4 ARG N N 4 124.460 124.460 123.502 0.958 19829
490 1 9 . 1 1 4 4 ARG HA H 4 4.022 4.022 4.096 -0.074 19829
491 1 9 . 1 1 4 4 ARG CA C 4 55.240 55.240 54.848 0.392 19829
492 1 9 . 1 1 4 4 ARG CB C 4 30.166 30.166 28.079 2.087 19829
493 1 9 . 1 1 4 4 ARG H H 4 8.107 8.107 8.291 -0.184 19829
494 1 9 . 1 1 5 5 ARG N N 5 123.055 123.055 118.988 4.067 19829
495 1 9 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.491 -0.484 19829
496 1 9 . 1 1 5 5 ARG CB C 5 30.181 30.181 30.860 -0.679 19829
497 1 9 . 1 1 5 5 ARG H H 5 8.138 8.138 7.559 0.579 19829
498 1 9 . 1 1 6 6 TYR N N 6 121.633 121.633 118.179 3.454 19829
499 1 9 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.772 -0.388 19829
500 1 9 . 1 1 6 6 TYR CA C 6 57.103 57.103 58.085 -0.982 19829
501 1 9 . 1 1 6 6 TYR H H 6 8.157 8.157 8.097 0.060 19829
502 1 9 . 1 1 7 7 LEU N N 7 124.288 124.288 120.337 3.951 19829
503 1 9 . 1 1 7 7 LEU HA H 7 4.167 4.167 4.065 0.102 19829
504 1 9 . 1 1 7 7 LEU CA C 7 54.203 54.203 55.843 -1.640 19829
505 1 9 . 1 1 7 7 LEU H H 7 8.028 8.028 7.812 0.216 19829
506 1 9 . 1 1 8 8 SER N N 8 117.094 117.094 113.269 3.825 19829
507 1 9 . 1 1 8 8 SER HA H 8 4.214 4.214 4.371 -0.157 19829
508 1 9 . 1 1 8 8 SER CA C 8 57.600 57.600 60.991 -3.391 19829
509 1 9 . 1 1 8 8 SER H H 8 8.124 8.124 8.336 -0.212 19829
510 1 9 . 1 1 9 9 VAL N N 9 121.580 121.580 113.533 8.047 19829
511 1 9 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.267 -0.426 19829
512 1 9 . 1 1 9 9 VAL CA C 9 61.986 61.986 62.685 -0.699 19829
513 1 9 . 1 1 9 9 VAL CB C 9 31.851 31.851 32.704 -0.853 19829
514 1 9 . 1 1 9 9 VAL H H 9 7.958 7.958 7.230 0.728 19829
515 1 9 . 1 1 10 10 PHE N N 10 123.076 123.076 121.006 2.070 19829
516 1 9 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.537 -0.180 19829
517 1 9 . 1 1 10 10 PHE H H 10 8.020 8.020 7.518 0.502 19829
518 1 9 . 1 1 11 11 PHE N N 11 122.150 122.150 120.427 1.723 19829
519 1 9 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.245 0.110 19829
520 1 9 . 1 1 11 11 PHE CA C 11 57.157 57.157 60.414 -3.257 19829
521 1 9 . 1 1 11 11 PHE H H 11 7.921 7.921 7.938 -0.017 19829
522 1 9 . 1 1 12 12 ARG N N 12 123.435 123.435 117.679 5.756 19829
523 1 9 . 1 1 12 12 ARG HA H 12 4.021 4.021 3.760 0.261 19829
524 1 9 . 1 1 12 12 ARG CB C 12 30.049 30.049 29.553 0.496 19829
525 1 9 . 1 1 12 12 ARG H H 12 7.937 7.937 7.542 0.395 19829
526 1 9 . 1 1 13 13 LYS N N 13 123.050 123.050 118.445 4.605 19829
527 1 9 . 1 1 13 13 LYS HA H 13 4.010 4.010 4.192 -0.182 19829
528 1 9 . 1 1 13 13 LYS CA C 13 55.548 55.548 57.591 -2.043 19829
529 1 9 . 1 1 13 13 LYS CB C 13 32.423 32.423 33.042 -0.619 19829
530 1 9 . 1 1 13 13 LYS H H 13 8.132 8.132 7.622 0.510 19829
531 1 9 . 1 1 14 14 HIS N N 14 121.316 121.316 118.035 3.281 19829
532 1 9 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.323 0.174 19829
533 1 9 . 1 1 14 14 HIS CA C 14 54.924 54.924 58.234 -3.310 19829
534 1 9 . 1 1 14 14 HIS CB C 14 29.102 29.102 29.784 -0.682 19829
535 1 9 . 1 1 14 14 HIS H H 14 8.398 8.398 8.220 0.178 19829
536 1 9 . 1 1 15 15 ILE N N 15 124.029 124.029 119.168 4.861 19829
537 1 9 . 1 1 15 15 ILE HA H 15 4.044 4.044 3.974 0.070 19829
538 1 9 . 1 1 15 15 ILE CA C 15 60.543 60.543 62.785 -2.242 19829
539 1 9 . 1 1 15 15 ILE CB C 15 38.059 38.059 38.417 -0.358 19829
540 1 9 . 1 1 15 15 ILE H H 15 8.151 8.151 8.253 -0.102 19829
541 1 10 . 1 1 2 2 LYS HA H 2 4.102 4.102 4.855 -0.753 19829
542 1 10 . 1 1 2 2 LYS CA C 2 55.784 55.784 55.317 0.467 19829
543 1 10 . 1 1 2 2 LYS CB C 2 32.422 32.422 33.261 -0.839 19829
544 1 10 . 1 1 3 3 PHE N N 3 122.251 122.251 121.142 1.109 19829
545 1 10 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.354 0.035 19829
546 1 10 . 1 1 3 3 PHE CA C 3 57.120 57.120 57.551 -0.431 19829
547 1 10 . 1 1 3 3 PHE CB C 3 38.819 38.819 39.364 -0.545 19829
548 1 10 . 1 1 3 3 PHE H H 3 8.304 8.304 8.617 -0.313 19829
549 1 10 . 1 1 4 4 ARG N N 4 124.460 124.460 117.526 6.934 19829
550 1 10 . 1 1 4 4 ARG HA H 4 4.022 4.022 4.172 -0.150 19829
551 1 10 . 1 1 4 4 ARG CA C 4 55.240 55.240 56.816 -1.576 19829
552 1 10 . 1 1 4 4 ARG CB C 4 30.166 30.166 28.655 1.511 19829
553 1 10 . 1 1 4 4 ARG H H 4 8.107 8.107 8.746 -0.639 19829
554 1 10 . 1 1 5 5 ARG N N 5 123.055 123.055 116.973 6.082 19829
555 1 10 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.286 -0.279 19829
556 1 10 . 1 1 5 5 ARG CB C 5 30.181 30.181 30.277 -0.096 19829
557 1 10 . 1 1 5 5 ARG H H 5 8.138 8.138 8.154 -0.016 19829
558 1 10 . 1 1 6 6 TYR N N 6 121.633 121.633 117.234 4.399 19829
559 1 10 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.902 -0.518 19829
560 1 10 . 1 1 6 6 TYR CA C 6 57.103 57.103 58.603 -1.500 19829
561 1 10 . 1 1 6 6 TYR H H 6 8.157 8.157 7.790 0.367 19829
562 1 10 . 1 1 7 7 LEU N N 7 124.288 124.288 121.085 3.203 19829
563 1 10 . 1 1 7 7 LEU HA H 7 4.167 4.167 4.847 -0.680 19829
564 1 10 . 1 1 7 7 LEU CA C 7 54.203 54.203 56.764 -2.561 19829
565 1 10 . 1 1 7 7 LEU H H 7 8.028 8.028 8.380 -0.352 19829
566 1 10 . 1 1 8 8 SER N N 8 117.094 117.094 114.717 2.377 19829
567 1 10 . 1 1 8 8 SER HA H 8 4.214 4.214 4.452 -0.238 19829
568 1 10 . 1 1 8 8 SER CA C 8 57.600 57.600 61.666 -4.066 19829
569 1 10 . 1 1 8 8 SER H H 8 8.124 8.124 8.744 -0.620 19829
570 1 10 . 1 1 9 9 VAL N N 9 121.580 121.580 116.896 4.684 19829
571 1 10 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.288 -0.447 19829
572 1 10 . 1 1 9 9 VAL CA C 9 61.986 61.986 64.009 -2.023 19829
573 1 10 . 1 1 9 9 VAL CB C 9 31.851 31.851 31.680 0.171 19829
574 1 10 . 1 1 9 9 VAL H H 9 7.958 7.958 7.404 0.554 19829
575 1 10 . 1 1 10 10 PHE N N 10 123.076 123.076 122.377 0.699 19829
576 1 10 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.329 0.028 19829
577 1 10 . 1 1 10 10 PHE H H 10 8.020 8.020 7.820 0.200 19829
578 1 10 . 1 1 11 11 PHE N N 11 122.150 122.150 116.329 5.821 19829
579 1 10 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.457 -0.102 19829
580 1 10 . 1 1 11 11 PHE CA C 11 57.157 57.157 60.099 -2.942 19829
581 1 10 . 1 1 11 11 PHE H H 11 7.921 7.921 8.048 -0.127 19829
582 1 10 . 1 1 12 12 ARG N N 12 123.435 123.435 118.874 4.561 19829
583 1 10 . 1 1 12 12 ARG HA H 12 4.021 4.021 4.388 -0.367 19829
584 1 10 . 1 1 12 12 ARG CB C 12 30.049 30.049 28.852 1.197 19829
585 1 10 . 1 1 12 12 ARG H H 12 7.937 7.937 7.443 0.494 19829
586 1 10 . 1 1 13 13 LYS N N 13 123.050 123.050 118.037 5.013 19829
587 1 10 . 1 1 13 13 LYS HA H 13 4.010 4.010 4.121 -0.111 19829
588 1 10 . 1 1 13 13 LYS CA C 13 55.548 55.548 58.117 -2.569 19829
589 1 10 . 1 1 13 13 LYS CB C 13 32.423 32.423 32.022 0.401 19829
590 1 10 . 1 1 13 13 LYS H H 13 8.132 8.132 7.562 0.570 19829
591 1 10 . 1 1 14 14 HIS N N 14 121.316 121.316 119.273 2.043 19829
592 1 10 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.287 0.210 19829
593 1 10 . 1 1 14 14 HIS CA C 14 54.924 54.924 58.925 -4.001 19829
594 1 10 . 1 1 14 14 HIS CB C 14 29.102 29.102 29.956 -0.854 19829
595 1 10 . 1 1 14 14 HIS H H 14 8.398 8.398 8.068 0.330 19829
596 1 10 . 1 1 15 15 ILE N N 15 124.029 124.029 116.819 7.210 19829
597 1 10 . 1 1 15 15 ILE HA H 15 4.044 4.044 4.232 -0.188 19829
598 1 10 . 1 1 15 15 ILE CA C 15 60.543 60.543 62.124 -1.581 19829
599 1 10 . 1 1 15 15 ILE CB C 15 38.059 38.059 38.283 -0.225 19829
600 1 10 . 1 1 15 15 ILE H H 15 8.151 8.151 8.371 -0.220 19829
601 1 11 . 1 1 2 2 LYS HA H 2 4.102 4.102 4.191 -0.089 19829
602 1 11 . 1 1 2 2 LYS CA C 2 55.784 55.784 57.315 -1.531 19829
603 1 11 . 1 1 2 2 LYS CB C 2 32.422 32.422 32.339 0.083 19829
604 1 11 . 1 1 3 3 PHE N N 3 122.251 122.251 119.452 2.799 19829
605 1 11 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.044 0.345 19829
606 1 11 . 1 1 3 3 PHE CA C 3 57.120 57.120 59.622 -2.502 19829
607 1 11 . 1 1 3 3 PHE CB C 3 38.819 38.819 39.166 -0.347 19829
608 1 11 . 1 1 3 3 PHE H H 3 8.304 8.304 7.744 0.560 19829
609 1 11 . 1 1 4 4 ARG N N 4 124.460 124.460 117.243 7.217 19829
610 1 11 . 1 1 4 4 ARG HA H 4 4.022 4.022 3.937 0.085 19829
611 1 11 . 1 1 4 4 ARG CA C 4 55.240 55.240 57.129 -1.889 19829
612 1 11 . 1 1 4 4 ARG CB C 4 30.166 30.166 28.626 1.540 19829
613 1 11 . 1 1 4 4 ARG H H 4 8.107 8.107 8.741 -0.634 19829
614 1 11 . 1 1 5 5 ARG N N 5 123.055 123.055 119.023 4.032 19829
615 1 11 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.468 -0.461 19829
616 1 11 . 1 1 5 5 ARG CB C 5 30.181 30.181 30.447 -0.266 19829
617 1 11 . 1 1 5 5 ARG H H 5 8.138 8.138 8.367 -0.229 19829
618 1 11 . 1 1 6 6 TYR N N 6 121.633 121.633 119.961 1.672 19829
619 1 11 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.697 -0.313 19829
620 1 11 . 1 1 6 6 TYR CA C 6 57.103 57.103 59.595 -2.492 19829
621 1 11 . 1 1 6 6 TYR H H 6 8.157 8.157 8.287 -0.130 19829
622 1 11 . 1 1 7 7 LEU N N 7 124.288 124.288 119.557 4.731 19829
623 1 11 . 1 1 7 7 LEU HA H 7 4.167 4.167 4.437 -0.270 19829
624 1 11 . 1 1 7 7 LEU CA C 7 54.203 54.203 55.988 -1.785 19829
625 1 11 . 1 1 7 7 LEU H H 7 8.028 8.028 7.788 0.240 19829
626 1 11 . 1 1 8 8 SER N N 8 117.094 117.094 115.834 1.260 19829
627 1 11 . 1 1 8 8 SER HA H 8 4.214 4.214 4.350 -0.136 19829
628 1 11 . 1 1 8 8 SER CA C 8 57.600 57.600 61.767 -4.167 19829
629 1 11 . 1 1 8 8 SER H H 8 8.124 8.124 7.867 0.257 19829
630 1 11 . 1 1 9 9 VAL N N 9 121.580 121.580 116.698 4.882 19829
631 1 11 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.276 -0.435 19829
632 1 11 . 1 1 9 9 VAL CA C 9 61.986 61.986 63.002 -1.016 19829
633 1 11 . 1 1 9 9 VAL CB C 9 31.851 31.851 32.900 -1.049 19829
634 1 11 . 1 1 9 9 VAL H H 9 7.958 7.958 7.432 0.526 19829
635 1 11 . 1 1 10 10 PHE N N 10 123.076 123.076 119.122 3.954 19829
636 1 11 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.430 -0.073 19829
637 1 11 . 1 1 10 10 PHE H H 10 8.020 8.020 7.739 0.281 19829
638 1 11 . 1 1 11 11 PHE N N 11 122.150 122.150 116.387 5.763 19829
639 1 11 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.391 -0.036 19829
640 1 11 . 1 1 11 11 PHE CA C 11 57.157 57.157 60.516 -3.359 19829
641 1 11 . 1 1 11 11 PHE H H 11 7.921 7.921 7.818 0.103 19829
642 1 11 . 1 1 12 12 ARG N N 12 123.435 123.435 119.922 3.513 19829
643 1 11 . 1 1 12 12 ARG HA H 12 4.021 4.021 4.305 -0.284 19829
644 1 11 . 1 1 12 12 ARG CB C 12 30.049 30.049 28.440 1.609 19829
645 1 11 . 1 1 12 12 ARG H H 12 7.937 7.937 8.365 -0.428 19829
646 1 11 . 1 1 13 13 LYS N N 13 123.050 123.050 119.760 3.290 19829
647 1 11 . 1 1 13 13 LYS HA H 13 4.010 4.010 4.505 -0.495 19829
648 1 11 . 1 1 13 13 LYS CA C 13 55.548 55.548 56.362 -0.814 19829
649 1 11 . 1 1 13 13 LYS CB C 13 32.423 32.423 32.721 -0.298 19829
650 1 11 . 1 1 13 13 LYS H H 13 8.132 8.132 8.230 -0.098 19829
651 1 11 . 1 1 14 14 HIS N N 14 121.316 121.316 116.427 4.889 19829
652 1 11 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.512 -0.015 19829
653 1 11 . 1 1 14 14 HIS CA C 14 54.924 54.924 56.754 -1.830 19829
654 1 11 . 1 1 14 14 HIS CB C 14 29.102 29.102 30.500 -1.398 19829
655 1 11 . 1 1 14 14 HIS H H 14 8.398 8.398 8.314 0.084 19829
656 1 11 . 1 1 15 15 ILE N N 15 124.029 124.029 120.382 3.647 19829
657 1 11 . 1 1 15 15 ILE HA H 15 4.044 4.044 4.206 -0.162 19829
658 1 11 . 1 1 15 15 ILE CA C 15 60.543 60.543 62.517 -1.974 19829
659 1 11 . 1 1 15 15 ILE CB C 15 38.059 38.059 38.698 -0.639 19829
660 1 11 . 1 1 15 15 ILE H H 15 8.151 8.151 8.529 -0.378 19829
661 1 12 . 1 1 2 2 LYS HA H 2 4.102 4.102 4.552 -0.450 19829
662 1 12 . 1 1 2 2 LYS CA C 2 55.784 55.784 55.750 0.034 19829
663 1 12 . 1 1 2 2 LYS CB C 2 32.422 32.422 33.777 -1.355 19829
664 1 12 . 1 1 3 3 PHE N N 3 122.251 122.251 120.948 1.303 19829
665 1 12 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.629 -0.240 19829
666 1 12 . 1 1 3 3 PHE CA C 3 57.120 57.120 57.797 -0.677 19829
667 1 12 . 1 1 3 3 PHE CB C 3 38.819 38.819 40.831 -2.012 19829
668 1 12 . 1 1 3 3 PHE H H 3 8.304 8.304 9.033 -0.729 19829
669 1 12 . 1 1 4 4 ARG N N 4 124.460 124.460 122.193 2.267 19829
670 1 12 . 1 1 4 4 ARG HA H 4 4.022 4.022 4.436 -0.414 19829
671 1 12 . 1 1 4 4 ARG CA C 4 55.240 55.240 56.077 -0.837 19829
672 1 12 . 1 1 4 4 ARG CB C 4 30.166 30.166 29.072 1.094 19829
673 1 12 . 1 1 4 4 ARG H H 4 8.107 8.107 7.975 0.132 19829
674 1 12 . 1 1 5 5 ARG N N 5 123.055 123.055 118.098 4.957 19829
675 1 12 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.178 -0.171 19829
676 1 12 . 1 1 5 5 ARG CB C 5 30.181 30.181 28.930 1.251 19829
677 1 12 . 1 1 5 5 ARG H H 5 8.138 8.138 8.542 -0.404 19829
678 1 12 . 1 1 6 6 TYR N N 6 121.633 121.633 115.030 6.603 19829
679 1 12 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.651 -0.267 19829
680 1 12 . 1 1 6 6 TYR CA C 6 57.103 57.103 59.063 -1.960 19829
681 1 12 . 1 1 6 6 TYR H H 6 8.157 8.157 7.379 0.778 19829
682 1 12 . 1 1 7 7 LEU N N 7 124.288 124.288 119.915 4.373 19829
683 1 12 . 1 1 7 7 LEU HA H 7 4.167 4.167 4.715 -0.548 19829
684 1 12 . 1 1 7 7 LEU CA C 7 54.203 54.203 56.017 -1.814 19829
685 1 12 . 1 1 7 7 LEU H H 7 8.028 8.028 8.007 0.021 19829
686 1 12 . 1 1 8 8 SER N N 8 117.094 117.094 115.330 1.764 19829
687 1 12 . 1 1 8 8 SER HA H 8 4.214 4.214 4.368 -0.154 19829
688 1 12 . 1 1 8 8 SER CA C 8 57.600 57.600 61.072 -3.472 19829
689 1 12 . 1 1 8 8 SER H H 8 8.124 8.124 8.163 -0.039 19829
690 1 12 . 1 1 9 9 VAL N N 9 121.580 121.580 116.696 4.884 19829
691 1 12 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.341 -0.500 19829
692 1 12 . 1 1 9 9 VAL CA C 9 61.986 61.986 63.784 -1.798 19829
693 1 12 . 1 1 9 9 VAL CB C 9 31.851 31.851 31.602 0.249 19829
694 1 12 . 1 1 9 9 VAL H H 9 7.958 7.958 7.444 0.514 19829
695 1 12 . 1 1 10 10 PHE N N 10 123.076 123.076 120.922 2.154 19829
696 1 12 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.370 -0.013 19829
697 1 12 . 1 1 10 10 PHE H H 10 8.020 8.020 7.821 0.199 19829
698 1 12 . 1 1 11 11 PHE N N 11 122.150 122.150 117.400 4.750 19829
699 1 12 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.384 -0.029 19829
700 1 12 . 1 1 11 11 PHE CA C 11 57.157 57.157 61.278 -4.121 19829
701 1 12 . 1 1 11 11 PHE H H 11 7.921 7.921 7.916 0.005 19829
702 1 12 . 1 1 12 12 ARG N N 12 123.435 123.435 119.088 4.347 19829
703 1 12 . 1 1 12 12 ARG HA H 12 4.021 4.021 4.376 -0.355 19829
704 1 12 . 1 1 12 12 ARG CB C 12 30.049 30.049 28.747 1.302 19829
705 1 12 . 1 1 12 12 ARG H H 12 7.937 7.937 7.657 0.280 19829
706 1 12 . 1 1 13 13 LYS N N 13 123.050 123.050 119.017 4.033 19829
707 1 12 . 1 1 13 13 LYS HA H 13 4.010 4.010 4.453 -0.443 19829
708 1 12 . 1 1 13 13 LYS CA C 13 55.548 55.548 57.038 -1.490 19829
709 1 12 . 1 1 13 13 LYS CB C 13 32.423 32.423 33.778 -1.355 19829
710 1 12 . 1 1 13 13 LYS H H 13 8.132 8.132 8.422 -0.290 19829
711 1 12 . 1 1 14 14 HIS N N 14 121.316 121.316 118.463 2.853 19829
712 1 12 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.550 -0.053 19829
713 1 12 . 1 1 14 14 HIS CA C 14 54.924 54.924 57.612 -2.688 19829
714 1 12 . 1 1 14 14 HIS CB C 14 29.102 29.102 30.961 -1.859 19829
715 1 12 . 1 1 14 14 HIS H H 14 8.398 8.398 7.833 0.565 19829
716 1 12 . 1 1 15 15 ILE N N 15 124.029 124.029 118.840 5.189 19829
717 1 12 . 1 1 15 15 ILE HA H 15 4.044 4.044 3.974 0.070 19829
718 1 12 . 1 1 15 15 ILE CA C 15 60.543 60.543 62.922 -2.379 19829
719 1 12 . 1 1 15 15 ILE CB C 15 38.059 38.059 38.738 -0.679 19829
720 1 12 . 1 1 15 15 ILE H H 15 8.151 8.151 8.398 -0.247 19829
721 1 13 . 1 1 2 2 LYS HA H 2 4.102 4.102 4.252 -0.150 19829
722 1 13 . 1 1 2 2 LYS CA C 2 55.784 55.784 56.346 -0.562 19829
723 1 13 . 1 1 2 2 LYS CB C 2 32.422 32.422 32.896 -0.474 19829
724 1 13 . 1 1 3 3 PHE N N 3 122.251 122.251 117.912 4.339 19829
725 1 13 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.414 -0.025 19829
726 1 13 . 1 1 3 3 PHE CA C 3 57.120 57.120 59.771 -2.651 19829
727 1 13 . 1 1 3 3 PHE CB C 3 38.819 38.819 38.047 0.772 19829
728 1 13 . 1 1 3 3 PHE H H 3 8.304 8.304 7.747 0.557 19829
729 1 13 . 1 1 4 4 ARG N N 4 124.460 124.460 116.968 7.492 19829
730 1 13 . 1 1 4 4 ARG HA H 4 4.022 4.022 4.105 -0.083 19829
731 1 13 . 1 1 4 4 ARG CA C 4 55.240 55.240 57.413 -2.173 19829
732 1 13 . 1 1 4 4 ARG CB C 4 30.166 30.166 28.643 1.523 19829
733 1 13 . 1 1 4 4 ARG H H 4 8.107 8.107 8.760 -0.653 19829
734 1 13 . 1 1 5 5 ARG N N 5 123.055 123.055 114.287 8.768 19829
735 1 13 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.453 -0.446 19829
736 1 13 . 1 1 5 5 ARG CB C 5 30.181 30.181 30.458 -0.277 19829
737 1 13 . 1 1 5 5 ARG H H 5 8.138 8.138 7.986 0.152 19829
738 1 13 . 1 1 6 6 TYR N N 6 121.633 121.633 118.698 2.935 19829
739 1 13 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.662 -0.278 19829
740 1 13 . 1 1 6 6 TYR CA C 6 57.103 57.103 59.135 -2.032 19829
741 1 13 . 1 1 6 6 TYR H H 6 8.157 8.157 8.124 0.033 19829
742 1 13 . 1 1 7 7 LEU N N 7 124.288 124.288 121.268 3.020 19829
743 1 13 . 1 1 7 7 LEU HA H 7 4.167 4.167 3.669 0.498 19829
744 1 13 . 1 1 7 7 LEU CA C 7 54.203 54.203 56.435 -2.232 19829
745 1 13 . 1 1 7 7 LEU H H 7 8.028 8.028 7.735 0.293 19829
746 1 13 . 1 1 8 8 SER N N 8 117.094 117.094 113.652 3.442 19829
747 1 13 . 1 1 8 8 SER HA H 8 4.214 4.214 4.363 -0.149 19829
748 1 13 . 1 1 8 8 SER CA C 8 57.600 57.600 61.038 -3.438 19829
749 1 13 . 1 1 8 8 SER H H 8 8.124 8.124 8.450 -0.326 19829
750 1 13 . 1 1 9 9 VAL N N 9 121.580 121.580 113.986 7.594 19829
751 1 13 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.198 -0.357 19829
752 1 13 . 1 1 9 9 VAL CA C 9 61.986 61.986 63.563 -1.577 19829
753 1 13 . 1 1 9 9 VAL CB C 9 31.851 31.851 32.436 -0.585 19829
754 1 13 . 1 1 9 9 VAL H H 9 7.958 7.958 7.297 0.661 19829
755 1 13 . 1 1 10 10 PHE N N 10 123.076 123.076 119.997 3.079 19829
756 1 13 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.379 -0.022 19829
757 1 13 . 1 1 10 10 PHE H H 10 8.020 8.020 7.365 0.655 19829
758 1 13 . 1 1 11 11 PHE N N 11 122.150 122.150 118.636 3.514 19829
759 1 13 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.414 -0.059 19829
760 1 13 . 1 1 11 11 PHE CA C 11 57.157 57.157 59.809 -2.652 19829
761 1 13 . 1 1 11 11 PHE H H 11 7.921 7.921 8.244 -0.323 19829
762 1 13 . 1 1 12 12 ARG N N 12 123.435 123.435 120.209 3.226 19829
763 1 13 . 1 1 12 12 ARG HA H 12 4.021 4.021 4.000 0.021 19829
764 1 13 . 1 1 12 12 ARG CB C 12 30.049 30.049 29.330 0.719 19829
765 1 13 . 1 1 12 12 ARG H H 12 7.937 7.937 7.764 0.173 19829
766 1 13 . 1 1 13 13 LYS N N 13 123.050 123.050 120.339 2.711 19829
767 1 13 . 1 1 13 13 LYS HA H 13 4.010 4.010 4.026 -0.016 19829
768 1 13 . 1 1 13 13 LYS CA C 13 55.548 55.548 59.101 -3.553 19829
769 1 13 . 1 1 13 13 LYS CB C 13 32.423 32.423 32.030 0.393 19829
770 1 13 . 1 1 13 13 LYS H H 13 8.132 8.132 7.610 0.522 19829
771 1 13 . 1 1 14 14 HIS N N 14 121.316 121.316 116.229 5.087 19829
772 1 13 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.351 0.146 19829
773 1 13 . 1 1 14 14 HIS CA C 14 54.924 54.924 58.342 -3.418 19829
774 1 13 . 1 1 14 14 HIS CB C 14 29.102 29.102 30.472 -1.370 19829
775 1 13 . 1 1 14 14 HIS H H 14 8.398 8.398 7.876 0.522 19829
776 1 13 . 1 1 15 15 ILE N N 15 124.029 124.029 119.388 4.641 19829
777 1 13 . 1 1 15 15 ILE HA H 15 4.044 4.044 4.154 -0.110 19829
778 1 13 . 1 1 15 15 ILE CA C 15 60.543 60.543 62.515 -1.972 19829
779 1 13 . 1 1 15 15 ILE CB C 15 38.059 38.059 37.801 0.258 19829
780 1 13 . 1 1 15 15 ILE H H 15 8.151 8.151 8.036 0.115 19829
781 1 14 . 1 1 2 2 LYS HA H 2 4.102 4.102 4.133 -0.031 19829
782 1 14 . 1 1 2 2 LYS CA C 2 55.784 55.784 56.073 -0.289 19829
783 1 14 . 1 1 2 2 LYS CB C 2 32.422 32.422 32.600 -0.178 19829
784 1 14 . 1 1 3 3 PHE N N 3 122.251 122.251 118.377 3.874 19829
785 1 14 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.428 -0.039 19829
786 1 14 . 1 1 3 3 PHE CA C 3 57.120 57.120 58.251 -1.131 19829
787 1 14 . 1 1 3 3 PHE CB C 3 38.819 38.819 37.555 1.264 19829
788 1 14 . 1 1 3 3 PHE H H 3 8.304 8.304 7.514 0.790 19829
789 1 14 . 1 1 4 4 ARG N N 4 124.460 124.460 118.157 6.303 19829
790 1 14 . 1 1 4 4 ARG HA H 4 4.022 4.022 4.077 -0.055 19829
791 1 14 . 1 1 4 4 ARG CA C 4 55.240 55.240 57.456 -2.216 19829
792 1 14 . 1 1 4 4 ARG CB C 4 30.166 30.166 29.418 0.748 19829
793 1 14 . 1 1 4 4 ARG H H 4 8.107 8.107 8.596 -0.489 19829
794 1 14 . 1 1 5 5 ARG N N 5 123.055 123.055 116.221 6.834 19829
795 1 14 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.390 -0.383 19829
796 1 14 . 1 1 5 5 ARG CB C 5 30.181 30.181 30.381 -0.200 19829
797 1 14 . 1 1 5 5 ARG H H 5 8.138 8.138 8.133 0.005 19829
798 1 14 . 1 1 6 6 TYR N N 6 121.633 121.633 118.930 2.703 19829
799 1 14 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.862 -0.478 19829
800 1 14 . 1 1 6 6 TYR CA C 6 57.103 57.103 59.283 -2.180 19829
801 1 14 . 1 1 6 6 TYR H H 6 8.157 8.157 7.799 0.358 19829
802 1 14 . 1 1 7 7 LEU N N 7 124.288 124.288 121.325 2.963 19829
803 1 14 . 1 1 7 7 LEU HA H 7 4.167 4.167 4.693 -0.526 19829
804 1 14 . 1 1 7 7 LEU CA C 7 54.203 54.203 57.210 -3.007 19829
805 1 14 . 1 1 7 7 LEU H H 7 8.028 8.028 8.457 -0.429 19829
806 1 14 . 1 1 8 8 SER N N 8 117.094 117.094 113.993 3.101 19829
807 1 14 . 1 1 8 8 SER HA H 8 4.214 4.214 4.404 -0.190 19829
808 1 14 . 1 1 8 8 SER CA C 8 57.600 57.600 61.743 -4.143 19829
809 1 14 . 1 1 8 8 SER H H 8 8.124 8.124 8.729 -0.605 19829
810 1 14 . 1 1 9 9 VAL N N 9 121.580 121.580 115.359 6.221 19829
811 1 14 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.308 -0.467 19829
812 1 14 . 1 1 9 9 VAL CA C 9 61.986 61.986 64.022 -2.036 19829
813 1 14 . 1 1 9 9 VAL CB C 9 31.851 31.851 32.400 -0.549 19829
814 1 14 . 1 1 9 9 VAL H H 9 7.958 7.958 7.461 0.497 19829
815 1 14 . 1 1 10 10 PHE N N 10 123.076 123.076 122.149 0.927 19829
816 1 14 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.340 0.017 19829
817 1 14 . 1 1 10 10 PHE H H 10 8.020 8.020 8.267 -0.247 19829
818 1 14 . 1 1 11 11 PHE N N 11 122.150 122.150 115.251 6.899 19829
819 1 14 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.463 -0.108 19829
820 1 14 . 1 1 11 11 PHE CA C 11 57.157 57.157 59.364 -2.207 19829
821 1 14 . 1 1 11 11 PHE H H 11 7.921 7.921 7.977 -0.056 19829
822 1 14 . 1 1 12 12 ARG N N 12 123.435 123.435 119.488 3.947 19829
823 1 14 . 1 1 12 12 ARG HA H 12 4.021 4.021 4.502 -0.481 19829
824 1 14 . 1 1 12 12 ARG CB C 12 30.049 30.049 29.801 0.248 19829
825 1 14 . 1 1 12 12 ARG H H 12 7.937 7.937 7.305 0.632 19829
826 1 14 . 1 1 13 13 LYS N N 13 123.050 123.050 119.450 3.600 19829
827 1 14 . 1 1 13 13 LYS HA H 13 4.010 4.010 4.401 -0.391 19829
828 1 14 . 1 1 13 13 LYS CA C 13 55.548 55.548 56.516 -0.968 19829
829 1 14 . 1 1 13 13 LYS CB C 13 32.423 32.423 31.137 1.286 19829
830 1 14 . 1 1 13 13 LYS H H 13 8.132 8.132 8.332 -0.200 19829
831 1 14 . 1 1 14 14 HIS N N 14 121.316 121.316 116.651 4.665 19829
832 1 14 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.514 -0.017 19829
833 1 14 . 1 1 14 14 HIS CA C 14 54.924 54.924 57.488 -2.564 19829
834 1 14 . 1 1 14 14 HIS CB C 14 29.102 29.102 31.211 -2.109 19829
835 1 14 . 1 1 14 14 HIS H H 14 8.398 8.398 7.889 0.509 19829
836 1 14 . 1 1 15 15 ILE N N 15 124.029 124.029 119.969 4.060 19829
837 1 14 . 1 1 15 15 ILE HA H 15 4.044 4.044 4.197 -0.153 19829
838 1 14 . 1 1 15 15 ILE CA C 15 60.543 60.543 61.934 -1.391 19829
839 1 14 . 1 1 15 15 ILE CB C 15 38.059 38.059 38.185 -0.126 19829
840 1 14 . 1 1 15 15 ILE H H 15 8.151 8.151 8.334 -0.183 19829
841 1 15 . 1 1 2 2 LYS HA H 2 4.102 4.102 4.800 -0.698 19829
842 1 15 . 1 1 2 2 LYS CA C 2 55.784 55.784 56.142 -0.358 19829
843 1 15 . 1 1 2 2 LYS CB C 2 32.422 32.422 32.936 -0.514 19829
844 1 15 . 1 1 3 3 PHE N N 3 122.251 122.251 122.012 0.239 19829
845 1 15 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.972 -0.583 19829
846 1 15 . 1 1 3 3 PHE CA C 3 57.120 57.120 57.008 0.112 19829
847 1 15 . 1 1 3 3 PHE CB C 3 38.819 38.819 39.717 -0.898 19829
848 1 15 . 1 1 3 3 PHE H H 3 8.304 8.304 8.445 -0.141 19829
849 1 15 . 1 1 4 4 ARG N N 4 124.460 124.460 122.334 2.126 19829
850 1 15 . 1 1 4 4 ARG HA H 4 4.022 4.022 4.380 -0.358 19829
851 1 15 . 1 1 4 4 ARG CA C 4 55.240 55.240 55.132 0.108 19829
852 1 15 . 1 1 4 4 ARG CB C 4 30.166 30.166 28.658 1.508 19829
853 1 15 . 1 1 4 4 ARG H H 4 8.107 8.107 8.236 -0.129 19829
854 1 15 . 1 1 5 5 ARG N N 5 123.055 123.055 114.439 8.616 19829
855 1 15 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.233 -0.226 19829
856 1 15 . 1 1 5 5 ARG CB C 5 30.181 30.181 29.788 0.393 19829
857 1 15 . 1 1 5 5 ARG H H 5 8.138 8.138 7.865 0.273 19829
858 1 15 . 1 1 6 6 TYR N N 6 121.633 121.633 117.542 4.091 19829
859 1 15 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.617 -0.233 19829
860 1 15 . 1 1 6 6 TYR CA C 6 57.103 57.103 60.081 -2.978 19829
861 1 15 . 1 1 6 6 TYR H H 6 8.157 8.157 7.528 0.629 19829
862 1 15 . 1 1 7 7 LEU N N 7 124.288 124.288 119.321 4.967 19829
863 1 15 . 1 1 7 7 LEU HA H 7 4.167 4.167 4.642 -0.475 19829
864 1 15 . 1 1 7 7 LEU CA C 7 54.203 54.203 56.065 -1.862 19829
865 1 15 . 1 1 7 7 LEU H H 7 8.028 8.028 8.582 -0.554 19829
866 1 15 . 1 1 8 8 SER N N 8 117.094 117.094 114.045 3.049 19829
867 1 15 . 1 1 8 8 SER HA H 8 4.214 4.214 4.368 -0.154 19829
868 1 15 . 1 1 8 8 SER CA C 8 57.600 57.600 61.473 -3.873 19829
869 1 15 . 1 1 8 8 SER H H 8 8.124 8.124 8.642 -0.518 19829
870 1 15 . 1 1 9 9 VAL N N 9 121.580 121.580 113.743 7.837 19829
871 1 15 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.318 -0.477 19829
872 1 15 . 1 1 9 9 VAL CA C 9 61.986 61.986 63.456 -1.470 19829
873 1 15 . 1 1 9 9 VAL CB C 9 31.851 31.851 32.959 -1.108 19829
874 1 15 . 1 1 9 9 VAL H H 9 7.958 7.958 7.282 0.676 19829
875 1 15 . 1 1 10 10 PHE N N 10 123.076 123.076 120.750 2.326 19829
876 1 15 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.398 -0.041 19829
877 1 15 . 1 1 10 10 PHE H H 10 8.020 8.020 7.766 0.254 19829
878 1 15 . 1 1 11 11 PHE N N 11 122.150 122.150 119.373 2.777 19829
879 1 15 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.567 -0.212 19829
880 1 15 . 1 1 11 11 PHE CA C 11 57.157 57.157 59.979 -2.822 19829
881 1 15 . 1 1 11 11 PHE H H 11 7.921 7.921 7.644 0.277 19829
882 1 15 . 1 1 12 12 ARG N N 12 123.435 123.435 120.156 3.279 19829
883 1 15 . 1 1 12 12 ARG HA H 12 4.021 4.021 3.878 0.143 19829
884 1 15 . 1 1 12 12 ARG CB C 12 30.049 30.049 29.484 0.565 19829
885 1 15 . 1 1 12 12 ARG H H 12 7.937 7.937 8.151 -0.214 19829
886 1 15 . 1 1 13 13 LYS N N 13 123.050 123.050 119.235 3.815 19829
887 1 15 . 1 1 13 13 LYS HA H 13 4.010 4.010 3.925 0.085 19829
888 1 15 . 1 1 13 13 LYS CA C 13 55.548 55.548 58.615 -3.067 19829
889 1 15 . 1 1 13 13 LYS CB C 13 32.423 32.423 31.797 0.626 19829
890 1 15 . 1 1 13 13 LYS H H 13 8.132 8.132 7.361 0.771 19829
891 1 15 . 1 1 14 14 HIS N N 14 121.316 121.316 118.520 2.796 19829
892 1 15 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.207 0.290 19829
893 1 15 . 1 1 14 14 HIS CA C 14 54.924 54.924 58.904 -3.981 19829
894 1 15 . 1 1 14 14 HIS CB C 14 29.102 29.102 29.629 -0.527 19829
895 1 15 . 1 1 14 14 HIS H H 14 8.398 8.398 8.177 0.221 19829
896 1 15 . 1 1 15 15 ILE N N 15 124.029 124.029 117.775 6.254 19829
897 1 15 . 1 1 15 15 ILE HA H 15 4.044 4.044 4.149 -0.105 19829
898 1 15 . 1 1 15 15 ILE CA C 15 60.543 60.543 62.309 -1.766 19829
899 1 15 . 1 1 15 15 ILE CB C 15 38.059 38.059 38.512 -0.453 19829
900 1 15 . 1 1 15 15 ILE H H 15 8.151 8.151 8.315 -0.164 19829
901 1 16 . 1 1 2 2 LYS HA H 2 4.102 4.102 4.419 -0.317 19829
902 1 16 . 1 1 2 2 LYS CA C 2 55.784 55.784 56.202 -0.418 19829
903 1 16 . 1 1 2 2 LYS CB C 2 32.422 32.422 31.637 0.786 19829
904 1 16 . 1 1 3 3 PHE N N 3 122.251 122.251 117.399 4.852 19829
905 1 16 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.935 -0.546 19829
906 1 16 . 1 1 3 3 PHE CA C 3 57.120 57.120 56.553 0.567 19829
907 1 16 . 1 1 3 3 PHE CB C 3 38.819 38.819 39.297 -0.478 19829
908 1 16 . 1 1 3 3 PHE H H 3 8.304 8.304 7.712 0.592 19829
909 1 16 . 1 1 4 4 ARG N N 4 124.460 124.460 121.373 3.087 19829
910 1 16 . 1 1 4 4 ARG HA H 4 4.022 4.022 4.183 -0.161 19829
911 1 16 . 1 1 4 4 ARG CA C 4 55.240 55.240 55.341 -0.101 19829
912 1 16 . 1 1 4 4 ARG CB C 4 30.166 30.166 28.778 1.388 19829
913 1 16 . 1 1 4 4 ARG H H 4 8.107 8.107 7.893 0.214 19829
914 1 16 . 1 1 5 5 ARG N N 5 123.055 123.055 116.336 6.719 19829
915 1 16 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.397 -0.390 19829
916 1 16 . 1 1 5 5 ARG CB C 5 30.181 30.181 29.803 0.378 19829
917 1 16 . 1 1 5 5 ARG H H 5 8.138 8.138 8.017 0.121 19829
918 1 16 . 1 1 6 6 TYR N N 6 121.633 121.633 117.484 4.149 19829
919 1 16 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.796 -0.412 19829
920 1 16 . 1 1 6 6 TYR CA C 6 57.103 57.103 57.407 -0.304 19829
921 1 16 . 1 1 6 6 TYR H H 6 8.157 8.157 8.093 0.064 19829
922 1 16 . 1 1 7 7 LEU N N 7 124.288 124.288 121.297 2.991 19829
923 1 16 . 1 1 7 7 LEU HA H 7 4.167 4.167 4.142 0.025 19829
924 1 16 . 1 1 7 7 LEU CA C 7 54.203 54.203 55.391 -1.188 19829
925 1 16 . 1 1 7 7 LEU H H 7 8.028 8.028 7.881 0.147 19829
926 1 16 . 1 1 8 8 SER N N 8 117.094 117.094 113.271 3.823 19829
927 1 16 . 1 1 8 8 SER HA H 8 4.214 4.214 4.482 -0.268 19829
928 1 16 . 1 1 8 8 SER CA C 8 57.600 57.600 60.985 -3.385 19829
929 1 16 . 1 1 8 8 SER H H 8 8.124 8.124 8.338 -0.214 19829
930 1 16 . 1 1 9 9 VAL N N 9 121.580 121.580 115.238 6.342 19829
931 1 16 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.259 -0.418 19829
932 1 16 . 1 1 9 9 VAL CA C 9 61.986 61.986 63.070 -1.084 19829
933 1 16 . 1 1 9 9 VAL CB C 9 31.851 31.851 32.429 -0.578 19829
934 1 16 . 1 1 9 9 VAL H H 9 7.958 7.958 7.470 0.488 19829
935 1 16 . 1 1 10 10 PHE N N 10 123.076 123.076 118.856 4.220 19829
936 1 16 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.647 -0.290 19829
937 1 16 . 1 1 10 10 PHE H H 10 8.020 8.020 7.557 0.463 19829
938 1 16 . 1 1 11 11 PHE N N 11 122.150 122.150 121.561 0.589 19829
939 1 16 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.399 -0.044 19829
940 1 16 . 1 1 11 11 PHE CA C 11 57.157 57.157 60.513 -3.356 19829
941 1 16 . 1 1 11 11 PHE H H 11 7.921 7.921 8.240 -0.319 19829
942 1 16 . 1 1 12 12 ARG N N 12 123.435 123.435 119.872 3.563 19829
943 1 16 . 1 1 12 12 ARG HA H 12 4.021 4.021 3.322 0.699 19829
944 1 16 . 1 1 12 12 ARG CB C 12 30.049 30.049 28.899 1.150 19829
945 1 16 . 1 1 12 12 ARG H H 12 7.937 7.937 7.861 0.076 19829
946 1 16 . 1 1 13 13 LYS N N 13 123.050 123.050 119.091 3.959 19829
947 1 16 . 1 1 13 13 LYS HA H 13 4.010 4.010 3.887 0.123 19829
948 1 16 . 1 1 13 13 LYS CA C 13 55.548 55.548 58.686 -3.138 19829
949 1 16 . 1 1 13 13 LYS CB C 13 32.423 32.423 32.153 0.270 19829
950 1 16 . 1 1 13 13 LYS H H 13 8.132 8.132 7.583 0.549 19829
951 1 16 . 1 1 14 14 HIS N N 14 121.316 121.316 118.348 2.968 19829
952 1 16 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.205 0.292 19829
953 1 16 . 1 1 14 14 HIS CA C 14 54.924 54.924 59.033 -4.109 19829
954 1 16 . 1 1 14 14 HIS CB C 14 29.102 29.102 29.810 -0.708 19829
955 1 16 . 1 1 14 14 HIS H H 14 8.398 8.398 7.639 0.759 19829
956 1 16 . 1 1 15 15 ILE N N 15 124.029 124.029 117.963 6.066 19829
957 1 16 . 1 1 15 15 ILE HA H 15 4.044 4.044 4.117 -0.073 19829
958 1 16 . 1 1 15 15 ILE CA C 15 60.543 60.543 62.674 -2.131 19829
959 1 16 . 1 1 15 15 ILE CB C 15 38.059 38.059 38.491 -0.432 19829
960 1 16 . 1 1 15 15 ILE H H 15 8.151 8.151 8.209 -0.058 19829
961 1 17 . 1 1 2 2 LYS HA H 2 4.102 4.102 4.631 -0.529 19829
962 1 17 . 1 1 2 2 LYS CA C 2 55.784 55.784 56.481 -0.697 19829
963 1 17 . 1 1 2 2 LYS CB C 2 32.422 32.422 32.977 -0.555 19829
964 1 17 . 1 1 3 3 PHE N N 3 122.251 122.251 121.006 1.245 19829
965 1 17 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.828 -0.439 19829
966 1 17 . 1 1 3 3 PHE CA C 3 57.120 57.120 56.661 0.459 19829
967 1 17 . 1 1 3 3 PHE CB C 3 38.819 38.819 39.761 -0.942 19829
968 1 17 . 1 1 3 3 PHE H H 3 8.304 8.304 8.490 -0.186 19829
969 1 17 . 1 1 4 4 ARG N N 4 124.460 124.460 122.591 1.869 19829
970 1 17 . 1 1 4 4 ARG HA H 4 4.022 4.022 4.316 -0.294 19829
971 1 17 . 1 1 4 4 ARG CA C 4 55.240 55.240 55.199 0.041 19829
972 1 17 . 1 1 4 4 ARG CB C 4 30.166 30.166 28.172 1.994 19829
973 1 17 . 1 1 4 4 ARG H H 4 8.107 8.107 8.234 -0.127 19829
974 1 17 . 1 1 5 5 ARG N N 5 123.055 123.055 118.231 4.824 19829
975 1 17 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.335 -0.328 19829
976 1 17 . 1 1 5 5 ARG CB C 5 30.181 30.181 30.397 -0.216 19829
977 1 17 . 1 1 5 5 ARG H H 5 8.138 8.138 7.654 0.484 19829
978 1 17 . 1 1 6 6 TYR N N 6 121.633 121.633 116.888 4.745 19829
979 1 17 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.656 -0.272 19829
980 1 17 . 1 1 6 6 TYR CA C 6 57.103 57.103 59.852 -2.749 19829
981 1 17 . 1 1 6 6 TYR H H 6 8.157 8.157 7.894 0.263 19829
982 1 17 . 1 1 7 7 LEU N N 7 124.288 124.288 119.763 4.525 19829
983 1 17 . 1 1 7 7 LEU HA H 7 4.167 4.167 4.430 -0.263 19829
984 1 17 . 1 1 7 7 LEU CA C 7 54.203 54.203 57.062 -2.859 19829
985 1 17 . 1 1 7 7 LEU H H 7 8.028 8.028 8.327 -0.299 19829
986 1 17 . 1 1 8 8 SER N N 8 117.094 117.094 112.711 4.383 19829
987 1 17 . 1 1 8 8 SER HA H 8 4.214 4.214 4.348 -0.134 19829
988 1 17 . 1 1 8 8 SER CA C 8 57.600 57.600 61.428 -3.828 19829
989 1 17 . 1 1 8 8 SER H H 8 8.124 8.124 8.483 -0.359 19829
990 1 17 . 1 1 9 9 VAL N N 9 121.580 121.580 112.397 9.183 19829
991 1 17 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.271 -0.430 19829
992 1 17 . 1 1 9 9 VAL CA C 9 61.986 61.986 63.482 -1.496 19829
993 1 17 . 1 1 9 9 VAL CB C 9 31.851 31.851 32.618 -0.767 19829
994 1 17 . 1 1 9 9 VAL H H 9 7.958 7.958 7.446 0.512 19829
995 1 17 . 1 1 10 10 PHE N N 10 123.076 123.076 121.412 1.664 19829
996 1 17 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.485 -0.128 19829
997 1 17 . 1 1 10 10 PHE H H 10 8.020 8.020 8.182 -0.162 19829
998 1 17 . 1 1 11 11 PHE N N 11 122.150 122.150 119.280 2.870 19829
999 1 17 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.432 -0.077 19829
1000 1 17 . 1 1 11 11 PHE CA C 11 57.157 57.157 60.036 -2.879 19829
1001 1 17 . 1 1 11 11 PHE H H 11 7.921 7.921 7.684 0.237 19829
1002 1 17 . 1 1 12 12 ARG N N 12 123.435 123.435 118.691 4.744 19829
1003 1 17 . 1 1 12 12 ARG HA H 12 4.021 4.021 3.821 0.200 19829
1004 1 17 . 1 1 12 12 ARG CB C 12 30.049 30.049 29.583 0.466 19829
1005 1 17 . 1 1 12 12 ARG H H 12 7.937 7.937 7.954 -0.017 19829
1006 1 17 . 1 1 13 13 LYS N N 13 123.050 123.050 117.677 5.373 19829
1007 1 17 . 1 1 13 13 LYS HA H 13 4.010 4.010 4.121 -0.111 19829
1008 1 17 . 1 1 13 13 LYS CA C 13 55.548 55.548 57.805 -2.257 19829
1009 1 17 . 1 1 13 13 LYS CB C 13 32.423 32.423 32.763 -0.340 19829
1010 1 17 . 1 1 13 13 LYS H H 13 8.132 8.132 7.441 0.691 19829
1011 1 17 . 1 1 14 14 HIS N N 14 121.316 121.316 117.521 3.795 19829
1012 1 17 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.340 0.157 19829
1013 1 17 . 1 1 14 14 HIS CA C 14 54.924 54.924 57.469 -2.545 19829
1014 1 17 . 1 1 14 14 HIS CB C 14 29.102 29.102 30.014 -0.912 19829
1015 1 17 . 1 1 14 14 HIS H H 14 8.398 8.398 8.028 0.370 19829
1016 1 17 . 1 1 15 15 ILE N N 15 124.029 124.029 119.207 4.822 19829
1017 1 17 . 1 1 15 15 ILE HA H 15 4.044 4.044 3.902 0.142 19829
1018 1 17 . 1 1 15 15 ILE CA C 15 60.543 60.543 61.630 -1.087 19829
1019 1 17 . 1 1 15 15 ILE CB C 15 38.059 38.059 38.280 -0.221 19829
1020 1 17 . 1 1 15 15 ILE H H 15 8.151 8.151 8.087 0.064 19829
1021 1 18 . 1 1 2 2 LYS HA H 2 4.102 4.102 4.758 -0.656 19829
1022 1 18 . 1 1 2 2 LYS CA C 2 55.784 55.784 56.160 -0.376 19829
1023 1 18 . 1 1 2 2 LYS CB C 2 32.422 32.422 33.323 -0.901 19829
1024 1 18 . 1 1 3 3 PHE N N 3 122.251 122.251 118.537 3.714 19829
1025 1 18 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.793 -0.404 19829
1026 1 18 . 1 1 3 3 PHE CA C 3 57.120 57.120 57.069 0.051 19829
1027 1 18 . 1 1 3 3 PHE CB C 3 38.819 38.819 39.989 -1.170 19829
1028 1 18 . 1 1 3 3 PHE H H 3 8.304 8.304 8.168 0.136 19829
1029 1 18 . 1 1 4 4 ARG N N 4 124.460 124.460 123.296 1.164 19829
1030 1 18 . 1 1 4 4 ARG HA H 4 4.022 4.022 4.372 -0.350 19829
1031 1 18 . 1 1 4 4 ARG CA C 4 55.240 55.240 55.060 0.180 19829
1032 1 18 . 1 1 4 4 ARG CB C 4 30.166 30.166 28.607 1.559 19829
1033 1 18 . 1 1 4 4 ARG H H 4 8.107 8.107 8.286 -0.179 19829
1034 1 18 . 1 1 5 5 ARG N N 5 123.055 123.055 118.662 4.393 19829
1035 1 18 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.293 -0.286 19829
1036 1 18 . 1 1 5 5 ARG CB C 5 30.181 30.181 29.820 0.361 19829
1037 1 18 . 1 1 5 5 ARG H H 5 8.138 8.138 7.597 0.541 19829
1038 1 18 . 1 1 6 6 TYR N N 6 121.633 121.633 116.924 4.709 19829
1039 1 18 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.606 -0.222 19829
1040 1 18 . 1 1 6 6 TYR CA C 6 57.103 57.103 60.281 -3.178 19829
1041 1 18 . 1 1 6 6 TYR H H 6 8.157 8.157 7.791 0.366 19829
1042 1 18 . 1 1 7 7 LEU N N 7 124.288 124.288 118.930 5.358 19829
1043 1 18 . 1 1 7 7 LEU HA H 7 4.167 4.167 4.480 -0.313 19829
1044 1 18 . 1 1 7 7 LEU CA C 7 54.203 54.203 56.379 -2.176 19829
1045 1 18 . 1 1 7 7 LEU H H 7 8.028 8.028 8.360 -0.332 19829
1046 1 18 . 1 1 8 8 SER N N 8 117.094 117.094 113.048 4.046 19829
1047 1 18 . 1 1 8 8 SER HA H 8 4.214 4.214 4.363 -0.149 19829
1048 1 18 . 1 1 8 8 SER CA C 8 57.600 57.600 61.032 -3.432 19829
1049 1 18 . 1 1 8 8 SER H H 8 8.124 8.124 8.433 -0.309 19829
1050 1 18 . 1 1 9 9 VAL N N 9 121.580 121.580 113.502 8.078 19829
1051 1 18 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.313 -0.472 19829
1052 1 18 . 1 1 9 9 VAL CA C 9 61.986 61.986 63.003 -1.017 19829
1053 1 18 . 1 1 9 9 VAL CB C 9 31.851 31.851 32.825 -0.974 19829
1054 1 18 . 1 1 9 9 VAL H H 9 7.958 7.958 7.359 0.599 19829
1055 1 18 . 1 1 10 10 PHE N N 10 123.076 123.076 119.908 3.168 19829
1056 1 18 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.486 -0.129 19829
1057 1 18 . 1 1 10 10 PHE H H 10 8.020 8.020 7.734 0.286 19829
1058 1 18 . 1 1 11 11 PHE N N 11 122.150 122.150 119.028 3.122 19829
1059 1 18 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.461 -0.106 19829
1060 1 18 . 1 1 11 11 PHE CA C 11 57.157 57.157 59.986 -2.829 19829
1061 1 18 . 1 1 11 11 PHE H H 11 7.921 7.921 7.703 0.218 19829
1062 1 18 . 1 1 12 12 ARG N N 12 123.435 123.435 118.621 4.814 19829
1063 1 18 . 1 1 12 12 ARG HA H 12 4.021 4.021 3.869 0.152 19829
1064 1 18 . 1 1 12 12 ARG CB C 12 30.049 30.049 29.726 0.323 19829
1065 1 18 . 1 1 12 12 ARG H H 12 7.937 7.937 7.878 0.059 19829
1066 1 18 . 1 1 13 13 LYS N N 13 123.050 123.050 118.619 4.431 19829
1067 1 18 . 1 1 13 13 LYS HA H 13 4.010 4.010 4.219 -0.209 19829
1068 1 18 . 1 1 13 13 LYS CA C 13 55.548 55.548 57.195 -1.647 19829
1069 1 18 . 1 1 13 13 LYS CB C 13 32.423 32.423 32.572 -0.149 19829
1070 1 18 . 1 1 13 13 LYS H H 13 8.132 8.132 7.410 0.722 19829
1071 1 18 . 1 1 14 14 HIS N N 14 121.316 121.316 118.451 2.865 19829
1072 1 18 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.392 0.105 19829
1073 1 18 . 1 1 14 14 HIS CA C 14 54.924 54.924 57.538 -2.614 19829
1074 1 18 . 1 1 14 14 HIS CB C 14 29.102 29.102 30.088 -0.986 19829
1075 1 18 . 1 1 14 14 HIS H H 14 8.398 8.398 8.121 0.277 19829
1076 1 18 . 1 1 15 15 ILE N N 15 124.029 124.029 117.914 6.115 19829
1077 1 18 . 1 1 15 15 ILE HA H 15 4.044 4.044 3.908 0.136 19829
1078 1 18 . 1 1 15 15 ILE CA C 15 60.543 60.543 62.602 -2.059 19829
1079 1 18 . 1 1 15 15 ILE CB C 15 38.059 38.059 38.417 -0.358 19829
1080 1 18 . 1 1 15 15 ILE H H 15 8.151 8.151 8.216 -0.065 19829
1081 1 19 . 1 1 2 2 LYS HA H 2 4.102 4.102 4.838 -0.736 19829
1082 1 19 . 1 1 2 2 LYS CA C 2 55.784 55.784 56.191 -0.407 19829
1083 1 19 . 1 1 2 2 LYS CB C 2 32.422 32.422 33.659 -1.237 19829
1084 1 19 . 1 1 3 3 PHE N N 3 122.251 122.251 118.884 3.367 19829
1085 1 19 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.813 -0.424 19829
1086 1 19 . 1 1 3 3 PHE CA C 3 57.120 57.120 56.446 0.674 19829
1087 1 19 . 1 1 3 3 PHE CB C 3 38.819 38.819 39.843 -1.024 19829
1088 1 19 . 1 1 3 3 PHE H H 3 8.304 8.304 8.340 -0.036 19829
1089 1 19 . 1 1 4 4 ARG N N 4 124.460 124.460 122.353 2.107 19829
1090 1 19 . 1 1 4 4 ARG HA H 4 4.022 4.022 4.386 -0.364 19829
1091 1 19 . 1 1 4 4 ARG CA C 4 55.240 55.240 55.028 0.212 19829
1092 1 19 . 1 1 4 4 ARG CB C 4 30.166 30.166 28.463 1.703 19829
1093 1 19 . 1 1 4 4 ARG H H 4 8.107 8.107 8.265 -0.159 19829
1094 1 19 . 1 1 5 5 ARG N N 5 123.055 123.055 118.847 4.208 19829
1095 1 19 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.219 -0.212 19829
1096 1 19 . 1 1 5 5 ARG CB C 5 30.181 30.181 30.007 0.174 19829
1097 1 19 . 1 1 5 5 ARG H H 5 8.138 8.138 7.460 0.678 19829
1098 1 19 . 1 1 6 6 TYR N N 6 121.633 121.633 115.823 5.810 19829
1099 1 19 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.689 -0.305 19829
1100 1 19 . 1 1 6 6 TYR CA C 6 57.103 57.103 59.146 -2.043 19829
1101 1 19 . 1 1 6 6 TYR H H 6 8.157 8.157 7.904 0.253 19829
1102 1 19 . 1 1 7 7 LEU N N 7 124.288 124.288 119.294 4.994 19829
1103 1 19 . 1 1 7 7 LEU HA H 7 4.167 4.167 4.431 -0.264 19829
1104 1 19 . 1 1 7 7 LEU CA C 7 54.203 54.203 56.666 -2.463 19829
1105 1 19 . 1 1 7 7 LEU H H 7 8.028 8.028 8.165 -0.137 19829
1106 1 19 . 1 1 8 8 SER N N 8 117.094 117.094 112.680 4.414 19829
1107 1 19 . 1 1 8 8 SER HA H 8 4.214 4.214 4.374 -0.160 19829
1108 1 19 . 1 1 8 8 SER CA C 8 57.600 57.600 60.865 -3.265 19829
1109 1 19 . 1 1 8 8 SER H H 8 8.124 8.124 8.431 -0.307 19829
1110 1 19 . 1 1 9 9 VAL N N 9 121.580 121.580 114.236 7.344 19829
1111 1 19 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.321 -0.480 19829
1112 1 19 . 1 1 9 9 VAL CA C 9 61.986 61.986 63.093 -1.107 19829
1113 1 19 . 1 1 9 9 VAL CB C 9 31.851 31.851 32.885 -1.034 19829
1114 1 19 . 1 1 9 9 VAL H H 9 7.958 7.958 7.524 0.434 19829
1115 1 19 . 1 1 10 10 PHE N N 10 123.076 123.076 119.693 3.383 19829
1116 1 19 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.737 -0.380 19829
1117 1 19 . 1 1 10 10 PHE H H 10 8.020 8.020 7.585 0.435 19829
1118 1 19 . 1 1 11 11 PHE N N 11 122.150 122.150 121.669 0.481 19829
1119 1 19 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.454 -0.099 19829
1120 1 19 . 1 1 11 11 PHE CA C 11 57.157 57.157 59.911 -2.755 19829
1121 1 19 . 1 1 11 11 PHE H H 11 7.921 7.921 8.259 -0.338 19829
1122 1 19 . 1 1 12 12 ARG N N 12 123.435 123.435 120.403 3.032 19829
1123 1 19 . 1 1 12 12 ARG HA H 12 4.021 4.021 3.340 0.681 19829
1124 1 19 . 1 1 12 12 ARG CB C 12 30.049 30.049 28.738 1.311 19829
1125 1 19 . 1 1 12 12 ARG H H 12 7.937 7.937 8.285 -0.348 19829
1126 1 19 . 1 1 13 13 LYS N N 13 123.050 123.050 119.055 3.995 19829
1127 1 19 . 1 1 13 13 LYS HA H 13 4.010 4.010 4.053 -0.043 19829
1128 1 19 . 1 1 13 13 LYS CA C 13 55.548 55.548 58.514 -2.966 19829
1129 1 19 . 1 1 13 13 LYS CB C 13 32.423 32.423 31.868 0.555 19829
1130 1 19 . 1 1 13 13 LYS H H 13 8.132 8.132 7.481 0.651 19829
1131 1 19 . 1 1 14 14 HIS N N 14 121.316 121.316 118.447 2.869 19829
1132 1 19 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.214 0.283 19829
1133 1 19 . 1 1 14 14 HIS CA C 14 54.924 54.924 58.613 -3.689 19829
1134 1 19 . 1 1 14 14 HIS CB C 14 29.102 29.102 29.881 -0.779 19829
1135 1 19 . 1 1 14 14 HIS H H 14 8.398 8.398 7.562 0.836 19829
1136 1 19 . 1 1 15 15 ILE N N 15 124.029 124.029 117.144 6.885 19829
1137 1 19 . 1 1 15 15 ILE HA H 15 4.044 4.044 4.130 -0.086 19829
1138 1 19 . 1 1 15 15 ILE CA C 15 60.543 60.543 62.745 -2.202 19829
1139 1 19 . 1 1 15 15 ILE CB C 15 38.059 38.059 38.670 -0.611 19829
1140 1 19 . 1 1 15 15 ILE H H 15 8.151 8.151 8.085 0.066 19829
1141 1 20 . 1 1 2 2 LYS HA H 2 4.102 4.102 4.882 -0.780 19829
1142 1 20 . 1 1 2 2 LYS CA C 2 55.784 55.784 56.446 -0.661 19829
1143 1 20 . 1 1 2 2 LYS CB C 2 32.422 32.422 33.636 -1.214 19829
1144 1 20 . 1 1 3 3 PHE N N 3 122.251 122.251 121.364 0.887 19829
1145 1 20 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.860 -0.471 19829
1146 1 20 . 1 1 3 3 PHE CA C 3 57.120 57.120 56.530 0.590 19829
1147 1 20 . 1 1 3 3 PHE CB C 3 38.819 38.819 39.538 -0.719 19829
1148 1 20 . 1 1 3 3 PHE H H 3 8.304 8.304 8.415 -0.111 19829
1149 1 20 . 1 1 4 4 ARG N N 4 124.460 124.460 123.126 1.334 19829
1150 1 20 . 1 1 4 4 ARG HA H 4 4.022 4.022 4.299 -0.277 19829
1151 1 20 . 1 1 4 4 ARG CA C 4 55.240 55.240 55.360 -0.120 19829
1152 1 20 . 1 1 4 4 ARG CB C 4 30.166 30.166 28.584 1.582 19829
1153 1 20 . 1 1 4 4 ARG H H 4 8.107 8.107 8.182 -0.075 19829
1154 1 20 . 1 1 5 5 ARG N N 5 123.055 123.055 117.776 5.279 19829
1155 1 20 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.353 -0.346 19829
1156 1 20 . 1 1 5 5 ARG CB C 5 30.181 30.181 30.385 -0.204 19829
1157 1 20 . 1 1 5 5 ARG H H 5 8.138 8.138 7.761 0.377 19829
1158 1 20 . 1 1 6 6 TYR N N 6 121.633 121.633 115.949 5.684 19829
1159 1 20 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.646 -0.262 19829
1160 1 20 . 1 1 6 6 TYR CA C 6 57.103 57.103 59.233 -2.130 19829
1161 1 20 . 1 1 6 6 TYR H H 6 8.157 8.157 7.762 0.395 19829
1162 1 20 . 1 1 7 7 LEU N N 7 124.288 124.288 119.249 5.039 19829
1163 1 20 . 1 1 7 7 LEU HA H 7 4.167 4.167 4.451 -0.284 19829
1164 1 20 . 1 1 7 7 LEU CA C 7 54.203 54.203 56.809 -2.606 19829
1165 1 20 . 1 1 7 7 LEU H H 7 8.028 8.028 7.956 0.072 19829
1166 1 20 . 1 1 8 8 SER N N 8 117.094 117.094 113.271 3.823 19829
1167 1 20 . 1 1 8 8 SER HA H 8 4.214 4.214 4.388 -0.174 19829
1168 1 20 . 1 1 8 8 SER CA C 8 57.600 57.600 61.092 -3.492 19829
1169 1 20 . 1 1 8 8 SER H H 8 8.124 8.124 8.336 -0.212 19829
1170 1 20 . 1 1 9 9 VAL N N 9 121.580 121.580 115.071 6.509 19829
1171 1 20 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.297 -0.456 19829
1172 1 20 . 1 1 9 9 VAL CA C 9 61.986 61.986 63.313 -1.327 19829
1173 1 20 . 1 1 9 9 VAL CB C 9 31.851 31.851 33.177 -1.326 19829
1174 1 20 . 1 1 9 9 VAL H H 9 7.958 7.958 7.497 0.461 19829
1175 1 20 . 1 1 10 10 PHE N N 10 123.076 123.076 121.807 1.269 19829
1176 1 20 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.770 -0.413 19829
1177 1 20 . 1 1 10 10 PHE H H 10 8.020 8.020 7.657 0.363 19829
1178 1 20 . 1 1 11 11 PHE N N 11 122.150 122.150 121.623 0.527 19829
1179 1 20 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.555 -0.200 19829
1180 1 20 . 1 1 11 11 PHE CA C 11 57.157 57.157 59.690 -2.533 19829
1181 1 20 . 1 1 11 11 PHE H H 11 7.921 7.921 8.195 -0.274 19829
1182 1 20 . 1 1 12 12 ARG N N 12 123.435 123.435 117.694 5.741 19829
1183 1 20 . 1 1 12 12 ARG HA H 12 4.021 4.021 3.513 0.508 19829
1184 1 20 . 1 1 12 12 ARG CB C 12 30.049 30.049 29.626 0.423 19829
1185 1 20 . 1 1 12 12 ARG H H 12 7.937 7.937 7.740 0.197 19829
1186 1 20 . 1 1 13 13 LYS N N 13 123.050 123.050 119.990 3.060 19829
1187 1 20 . 1 1 13 13 LYS HA H 13 4.010 4.010 4.158 -0.148 19829
1188 1 20 . 1 1 13 13 LYS CA C 13 55.548 55.548 56.373 -0.825 19829
1189 1 20 . 1 1 13 13 LYS CB C 13 32.423 32.423 30.335 2.088 19829
1190 1 20 . 1 1 13 13 LYS H H 13 8.132 8.132 7.568 0.564 19829
1191 1 20 . 1 1 14 14 HIS N N 14 121.316 121.316 118.444 2.872 19829
1192 1 20 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.590 -0.093 19829
1193 1 20 . 1 1 14 14 HIS CA C 14 54.924 54.924 57.954 -3.030 19829
1194 1 20 . 1 1 14 14 HIS CB C 14 29.102 29.102 32.003 -2.901 19829
1195 1 20 . 1 1 14 14 HIS H H 14 8.398 8.398 8.477 -0.079 19829
1196 1 20 . 1 1 15 15 ILE N N 15 124.029 124.029 119.459 4.570 19829
1197 1 20 . 1 1 15 15 ILE HA H 15 4.044 4.044 4.304 -0.260 19829
1198 1 20 . 1 1 15 15 ILE CA C 15 60.543 60.543 62.199 -1.655 19829
1199 1 20 . 1 1 15 15 ILE CB C 15 38.059 38.059 39.320 -1.261 19829
1200 1 20 . 1 1 15 15 ILE H H 15 8.151 8.151 8.252 -0.101 19829
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 13 4.217 -3.733 2.042 19829
2 1 1 "Average Difference" HA 14 0.292 0.233 0.183 19829
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19829
4 1 1 "Average Difference" CA 11 1.912 1.589 1.116 19829
5 1 1 "Average Difference" CB 9 1.192 0.245 1.237 19829
6 1 1 "Average Difference" HN 13 0.492 -0.076 0.506 19829
7 1 2 "Average Difference" N 13 4.035 -3.837 1.299 19829
8 1 2 "Average Difference" HA 14 0.289 0.214 0.202 19829
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19829
10 1 2 "Average Difference" CA 11 1.998 1.635 1.205 19829
11 1 2 "Average Difference" CB 9 1.118 0.093 1.182 19829
12 1 2 "Average Difference" HN 13 0.361 -0.133 0.350 19829
13 1 3 "Average Difference" N 13 4.182 -3.820 1.773 19829
14 1 3 "Average Difference" HA 14 0.312 0.258 0.182 19829
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19829
16 1 3 "Average Difference" CA 11 2.200 1.892 1.176 19829
17 1 3 "Average Difference" CB 9 1.009 0.287 1.026 19829
18 1 3 "Average Difference" HN 13 0.336 0.081 0.339 19829
19 1 4 "Average Difference" N 13 4.089 -3.696 1.820 19829
20 1 4 "Average Difference" HA 14 0.349 0.253 0.249 19829
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19829
22 1 4 "Average Difference" CA 11 1.705 1.401 1.018 19829
23 1 4 "Average Difference" CB 9 1.235 0.250 1.283 19829
24 1 4 "Average Difference" HN 13 0.276 -0.113 0.262 19829
25 1 5 "Average Difference" N 13 4.053 -3.577 1.983 19829
26 1 5 "Average Difference" HA 14 0.360 0.197 0.313 19829
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19829
28 1 5 "Average Difference" CA 11 2.430 2.179 1.127 19829
29 1 5 "Average Difference" CB 9 1.120 -0.219 1.164 19829
30 1 5 "Average Difference" HN 13 0.425 0.045 0.440 19829
31 1 6 "Average Difference" N 13 4.790 -4.465 1.805 19829
32 1 6 "Average Difference" HA 14 0.324 0.266 0.191 19829
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19829
34 1 6 "Average Difference" CA 11 2.037 1.664 1.232 19829
35 1 6 "Average Difference" CB 9 1.011 0.259 1.036 19829
36 1 6 "Average Difference" HN 13 0.294 -0.069 0.297 19829
37 1 7 "Average Difference" N 13 4.758 -4.579 1.343 19829
38 1 7 "Average Difference" HA 14 0.287 0.206 0.208 19829
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19829
40 1 7 "Average Difference" CA 11 2.606 2.370 1.136 19829
41 1 7 "Average Difference" CB 9 0.956 0.243 0.981 19829
42 1 7 "Average Difference" HN 13 0.377 -0.005 0.392 19829
43 1 8 "Average Difference" N 13 4.548 -3.868 2.490 19829
44 1 8 "Average Difference" HA 14 0.290 0.241 0.167 19829
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19829
46 1 8 "Average Difference" CA 11 2.513 2.152 1.361 19829
47 1 8 "Average Difference" CB 9 1.378 0.102 1.458 19829
48 1 8 "Average Difference" HN 13 0.418 0.117 0.417 19829
49 1 9 "Average Difference" N 13 4.130 -3.676 1.960 19829
50 1 9 "Average Difference" HA 14 0.331 0.171 0.294 19829
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19829
52 1 9 "Average Difference" CA 11 2.060 1.584 1.381 19829
53 1 9 "Average Difference" CB 9 0.990 0.291 1.003 19829
54 1 9 "Average Difference" HN 13 0.362 -0.199 0.315 19829
55 1 10 "Average Difference" N 13 4.641 -4.164 2.132 19829
56 1 10 "Average Difference" HA 14 0.368 0.254 0.276 19829
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19829
58 1 10 "Average Difference" CA 11 2.451 2.071 1.375 19829
59 1 10 "Average Difference" CB 9 0.796 -0.080 0.839 19829
60 1 10 "Average Difference" HN 13 0.415 -0.017 0.431 19829
61 1 11 "Average Difference" N 13 4.261 -3.973 1.602 19829
62 1 11 "Average Difference" HA 14 0.278 0.167 0.231 19829
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19829
64 1 11 "Average Difference" CA 11 2.319 2.124 0.977 19829
65 1 11 "Average Difference" CB 9 0.984 0.085 1.040 19829
66 1 11 "Average Difference" HN 13 0.353 -0.012 0.367 19829
67 1 12 "Average Difference" N 13 4.100 -3.806 1.587 19829
68 1 12 "Average Difference" HA 14 0.320 0.255 0.201 19829
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19829
70 1 12 "Average Difference" CA 11 2.250 1.928 1.217 19829
71 1 12 "Average Difference" CB 9 1.340 0.374 1.365 19829
72 1 12 "Average Difference" HN 13 0.408 -0.060 0.420 19829
73 1 13 "Average Difference" N 13 5.008 -4.604 2.053 19829
74 1 13 "Average Difference" HA 14 0.230 0.073 0.226 19829
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19829
76 1 13 "Average Difference" CA 11 2.535 2.387 0.896 19829
77 1 13 "Average Difference" CB 9 0.828 -0.106 0.871 19829
78 1 13 "Average Difference" HN 13 0.439 -0.183 0.416 19829
79 1 14 "Average Difference" N 13 4.650 -4.315 1.803 19829
80 1 14 "Average Difference" HA 14 0.308 0.236 0.206 19829
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19829
82 1 14 "Average Difference" CA 11 2.250 2.012 1.057 19829
83 1 14 "Average Difference" CB 9 0.984 -0.043 1.042 19829
84 1 14 "Average Difference" HN 13 0.446 -0.045 0.462 19829
85 1 15 "Average Difference" N 13 4.610 -4.013 2.361 19829
86 1 15 "Average Difference" HA 14 0.349 0.217 0.284 19829
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19829
88 1 15 "Average Difference" CA 11 2.449 1.996 1.489 19829
89 1 15 "Average Difference" CB 9 0.811 0.045 0.859 19829
90 1 15 "Average Difference" HN 13 0.429 -0.106 0.433 19829
91 1 16 "Average Difference" N 13 4.397 -4.102 1.648 19829
92 1 16 "Average Difference" HA 14 0.346 0.127 0.333 19829
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19829
94 1 16 "Average Difference" CA 11 2.280 1.695 1.599 19829
95 1 16 "Average Difference" CB 9 0.770 -0.197 0.789 19829
96 1 16 "Average Difference" HN 13 0.385 -0.222 0.327 19829
97 1 17 "Average Difference" N 13 4.598 -4.157 2.046 19829
98 1 17 "Average Difference" HA 14 0.284 0.179 0.229 19829
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19829
100 1 17 "Average Difference" CA 11 2.223 1.809 1.355 19829
101 1 17 "Average Difference" CB 9 0.883 0.166 0.920 19829
102 1 17 "Average Difference" HN 13 0.344 -0.113 0.338 19829
103 1 18 "Average Difference" N 13 4.601 -4.306 1.686 19829
104 1 18 "Average Difference" HA 14 0.306 0.207 0.234 19829
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19829
106 1 18 "Average Difference" CA 11 2.124 1.736 1.283 19829
107 1 18 "Average Difference" CB 9 0.877 0.255 0.890 19829
108 1 18 "Average Difference" HN 13 0.370 -0.178 0.337 19829
109 1 19 "Average Difference" N 13 4.455 -4.068 1.891 19829
110 1 19 "Average Difference" HA 14 0.380 0.185 0.345 19829
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19829
112 1 19 "Average Difference" CA 11 2.289 1.819 1.457 19829
113 1 19 "Average Difference" CB 9 1.032 0.105 1.089 19829
114 1 19 "Average Difference" HN 13 0.430 -0.156 0.417 19829
115 1 20 "Average Difference" N 13 4.099 -3.584 2.071 19829
116 1 20 "Average Difference" HA 14 0.376 0.261 0.281 19829
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19829
118 1 20 "Average Difference" CA 11 2.025 1.617 1.278 19829
119 1 20 "Average Difference" CB 9 1.522 0.393 1.559 19829
120 1 20 "Average Difference" HN 13 0.299 -0.121 0.284 19829
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 19829
_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 LYS HA H 2 4.102 4.102 4.596 -0.494 19829
2 1 . 1 1 2 2 LYS CA C 2 55.784 55.784 56.200 -0.416 19829
3 1 . 1 1 2 2 LYS CB C 2 32.422 32.422 33.037 -0.615 19829
4 1 . 1 1 3 3 PHE N N 3 122.251 122.251 119.861 2.390 19829
5 1 . 1 1 3 3 PHE HA H 3 4.389 4.389 4.706 -0.317 19829
6 1 . 1 1 3 3 PHE CA C 3 57.120 57.120 57.629 -0.509 19829
7 1 . 1 1 3 3 PHE CB C 3 38.819 38.819 39.503 -0.684 19829
8 1 . 1 1 3 3 PHE H H 3 8.304 8.304 8.201 0.103 19829
9 1 . 1 1 4 4 ARG N N 4 124.460 124.460 120.678 3.782 19829
10 1 . 1 1 4 4 ARG HA H 4 4.022 4.022 4.209 -0.187 19829
11 1 . 1 1 4 4 ARG CA C 4 55.240 55.240 56.082 -0.842 19829
12 1 . 1 1 4 4 ARG CB C 4 30.166 30.166 28.613 1.553 19829
13 1 . 1 1 4 4 ARG H H 4 8.107 8.107 8.428 -0.321 19829
14 1 . 1 1 5 5 ARG N N 5 123.055 123.055 117.199 5.856 19829
15 1 . 1 1 5 5 ARG HA H 5 4.007 4.007 4.345 -0.338 19829
16 1 . 1 1 5 5 ARG CB C 5 30.181 30.181 30.067 0.114 19829
17 1 . 1 1 5 5 ARG H H 5 8.138 8.138 7.920 0.218 19829
18 1 . 1 1 6 6 TYR N N 6 121.633 121.633 117.650 3.983 19829
19 1 . 1 1 6 6 TYR HA H 6 4.384 4.384 4.715 -0.331 19829
20 1 . 1 1 6 6 TYR CA C 6 57.103 57.103 59.098 -1.995 19829
21 1 . 1 1 6 6 TYR H H 6 8.157 8.157 7.864 0.293 19829
22 1 . 1 1 7 7 LEU N N 7 124.288 124.288 120.324 3.964 19829
23 1 . 1 1 7 7 LEU HA H 7 4.167 4.167 4.435 -0.268 19829
24 1 . 1 1 7 7 LEU CA C 7 54.203 54.203 56.445 -2.242 19829
25 1 . 1 1 7 7 LEU H H 7 8.028 8.028 8.175 -0.147 19829
26 1 . 1 1 8 8 SER N N 8 117.094 117.094 113.874 3.220 19829
27 1 . 1 1 8 8 SER HA H 8 4.214 4.214 4.364 -0.150 19829
28 1 . 1 1 8 8 SER CA C 8 57.600 57.600 61.092 -3.492 19829
29 1 . 1 1 8 8 SER H H 8 8.124 8.124 8.368 -0.244 19829
30 1 . 1 1 9 9 VAL N N 9 121.580 121.580 115.433 6.147 19829
31 1 . 1 1 9 9 VAL HA H 9 3.841 3.841 4.267 -0.426 19829
32 1 . 1 1 9 9 VAL CA C 9 61.986 61.986 63.367 -1.381 19829
33 1 . 1 1 9 9 VAL CB C 9 31.851 31.851 32.560 -0.709 19829
34 1 . 1 1 9 9 VAL H H 9 7.958 7.958 7.436 0.522 19829
35 1 . 1 1 10 10 PHE N N 10 123.076 123.076 120.726 2.350 19829
36 1 . 1 1 10 10 PHE HA H 10 4.357 4.357 4.460 -0.103 19829
37 1 . 1 1 10 10 PHE H H 10 8.020 8.020 7.795 0.225 19829
38 1 . 1 1 11 11 PHE N N 11 122.150 122.150 118.052 4.098 19829
39 1 . 1 1 11 11 PHE HA H 11 4.355 4.355 4.422 -0.067 19829
40 1 . 1 1 11 11 PHE CA C 11 57.157 57.157 60.138 -2.981 19829
41 1 . 1 1 11 11 PHE H H 11 7.921 7.921 7.990 -0.069 19829
42 1 . 1 1 12 12 ARG N N 12 123.435 123.435 119.255 4.180 19829
43 1 . 1 1 12 12 ARG HA H 12 4.021 4.021 4.077 -0.056 19829
44 1 . 1 1 12 12 ARG CB C 12 30.049 30.049 29.014 1.035 19829
45 1 . 1 1 12 12 ARG H H 12 7.937 7.937 7.899 0.038 19829
46 1 . 1 1 13 13 LYS N N 13 123.050 123.050 119.268 3.782 19829
47 1 . 1 1 13 13 LYS HA H 13 4.010 4.010 4.227 -0.217 19829
48 1 . 1 1 13 13 LYS CA C 13 55.548 55.548 57.464 -1.916 19829
49 1 . 1 1 13 13 LYS CB C 13 32.423 32.423 32.498 -0.075 19829
50 1 . 1 1 13 13 LYS H H 13 8.132 8.132 7.881 0.251 19829
51 1 . 1 1 14 14 HIS N N 14 121.316 121.316 117.968 3.348 19829
52 1 . 1 1 14 14 HIS HA H 14 4.497 4.497 4.415 0.082 19829
53 1 . 1 1 14 14 HIS CA C 14 54.924 54.924 58.015 -3.091 19829
54 1 . 1 1 14 14 HIS CB C 14 29.102 29.102 30.342 -1.240 19829
55 1 . 1 1 14 14 HIS H H 14 8.398 8.398 8.117 0.281 19829
56 1 . 1 1 15 15 ILE N N 15 124.029 124.029 118.906 5.123 19829
57 1 . 1 1 15 15 ILE HA H 15 4.044 4.044 4.113 -0.069 19829
58 1 . 1 1 15 15 ILE CA C 15 60.543 60.543 62.391 -1.848 19829
59 1 . 1 1 15 15 ILE CB C 15 38.059 38.059 38.584 -0.526 19829
60 1 . 1 1 15 15 ILE H H 15 8.151 8.151 8.282 -0.131 19829
stop_
save_