data_25681
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25681
_Entry.PDB_ID 2N4U
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 25681
_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 1 429 429 ALA HA H 429 4.159 4.159 4.386 -0.227 25681
2 1 1 . 1 1 429 429 ALA H H 429 8.092 8.092 8.505 -0.413 25681
3 1 1 . 1 1 430 430 THR HA H 430 4.095 4.095 4.325 -0.230 25681
4 1 1 . 1 1 430 430 THR H H 430 8.045 8.045 7.869 0.176 25681
5 1 1 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.036 0.112 25681
6 1 1 . 1 1 431 431 ALA H H 431 8.170 8.170 8.128 0.042 25681
7 1 1 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.450 -0.558 25681
8 1 1 . 1 1 432 432 VAL H H 432 8.039 8.039 8.004 0.035 25681
9 1 1 . 1 1 433 433 SER HA H 433 4.294 4.294 4.470 -0.176 25681
10 1 1 . 1 1 433 433 SER H H 433 8.221 8.221 8.870 -0.649 25681
11 1 1 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.189 -0.202 25681
12 1 1 . 1 1 434 434 GLU H H 434 8.644 8.644 8.255 0.390 25681
13 1 1 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.724 0.390 25681
14 1 1 . 1 1 435 435 TRP H H 435 8.059 8.059 7.447 0.612 25681
15 1 1 . 1 1 436 436 THR HA H 436 4.327 4.327 4.534 -0.207 25681
16 1 1 . 1 1 436 436 THR H H 436 9.307 9.307 8.035 1.272 25681
17 1 1 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.527 -0.345 25681
18 1 1 . 1 1 437 437 GLU H H 437 8.375 8.375 8.516 -0.141 25681
19 1 1 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.583 -0.214 25681
20 1 1 . 1 1 438 438 TYR H H 438 8.435 8.435 8.704 -0.269 25681
21 1 1 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.397 -0.143 25681
22 1 1 . 1 1 439 439 LYS H H 439 8.007 8.007 8.520 -0.513 25681
23 1 1 . 1 1 440 440 THR HA H 440 4.594 4.594 4.764 -0.170 25681
24 1 1 . 1 1 440 440 THR H H 440 9.086 9.086 8.870 0.216 25681
25 1 1 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.209 -0.244 25681
26 1 1 . 1 1 441 441 ALA H H 441 9.053 9.053 8.636 0.417 25681
27 1 1 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.566 -0.107 25681
28 1 1 . 1 1 442 442 ASP H H 442 7.879 7.879 7.818 0.061 25681
29 1 1 . 1 1 443 443 GLY H H 443 7.816 7.816 8.356 -0.540 25681
30 1 1 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.573 -0.216 25681
31 1 1 . 1 1 444 444 LYS H H 444 7.732 7.732 7.869 -0.137 25681
32 1 1 . 1 1 445 445 THR HA H 445 4.780 4.780 5.056 -0.276 25681
33 1 1 . 1 1 445 445 THR H H 445 8.542 8.542 8.638 -0.096 25681
34 1 1 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.525 -0.045 25681
35 1 1 . 1 1 446 446 TYR H H 446 8.546 8.546 8.042 0.504 25681
36 1 1 . 1 1 447 447 TYR HA H 447 4.961 4.961 5.032 -0.071 25681
37 1 1 . 1 1 447 447 TYR H H 447 8.684 8.684 9.095 -0.411 25681
38 1 1 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.886 -0.490 25681
39 1 1 . 1 1 448 448 TYR H H 448 9.194 9.194 8.483 0.711 25681
40 1 1 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.750 -0.707 25681
41 1 1 . 1 1 449 449 ASN H H 449 8.054 8.054 7.890 0.164 25681
42 1 1 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.907 -0.926 25681
43 1 1 . 1 1 450 450 ASN H H 450 8.328 8.328 8.854 -0.526 25681
44 1 1 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.603 -0.544 25681
45 1 1 . 1 1 451 451 ARG H H 451 8.219 8.219 8.962 -0.743 25681
46 1 1 . 1 1 452 452 THR HA H 452 3.851 3.851 4.275 -0.424 25681
47 1 1 . 1 1 452 452 THR H H 452 7.646 7.646 7.770 -0.124 25681
48 1 1 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.530 -0.108 25681
49 1 1 . 1 1 453 453 LEU C C 453 1.549 1.549 174.595 -173.046 25681
50 1 1 . 1 1 453 453 LEU H H 453 7.729 7.729 6.986 0.743 25681
51 1 1 . 1 1 455 455 SER C C 455 3.421 3.421 174.001 -170.580 25681
52 1 1 . 1 1 456 456 THR N N 456 2.966 2.966 119.557 -116.591 25681
53 1 1 . 1 1 456 456 THR C C 456 9.917 9.917 174.221 -164.304 25681
54 1 1 . 1 1 457 457 TRP N N 457 6.712 6.712 127.451 -120.739 25681
55 1 1 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.896 1.950 25681
56 1 1 . 1 1 457 457 TRP C C 457 2.500 2.500 176.224 -173.724 25681
57 1 1 . 1 1 457 457 TRP CA C 457 7.107 7.107 57.395 -50.288 25681
58 1 1 . 1 1 458 458 GLU CA C 458 1.155 1.155 54.982 -53.827 25681
59 1 1 . 1 1 458 458 GLU H H 458 1.242 1.242 7.849 -6.607 25681
60 1 1 . 1 1 460 460 PRO HA H 460 1.733 1.733 4.289 -2.556 25681
61 1 1 . 1 1 460 460 PRO CA C 460 1.807 1.807 62.337 -60.530 25681
62 1 1 . 1 1 461 461 GLN N N 461 8.876 8.876 119.687 -110.811 25681
63 1 1 . 1 1 461 461 GLN C C 461 4.192 4.192 177.443 -173.251 25681
64 1 1 . 1 1 461 461 GLN CA C 461 3.933 3.933 58.826 -54.893 25681
65 1 1 . 1 1 461 461 GLN CB C 461 1.843 1.843 28.115 -26.272 25681
66 1 1 . 1 1 462 462 GLU CA C 462 1.056 1.056 56.825 -55.769 25681
67 1 1 . 1 1 462 462 GLU H H 462 1.135 1.135 8.367 -7.232 25681
68 1 1 . 1 1 463 463 LEU CB C 463 7.439 7.439 42.302 -34.863 25681
69 1 2 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.555 -0.396 25681
70 1 2 . 1 1 429 429 ALA H H 429 8.092 8.092 8.384 -0.292 25681
71 1 2 . 1 1 430 430 THR HA H 430 4.095 4.095 4.047 0.048 25681
72 1 2 . 1 1 430 430 THR H H 430 8.045 8.045 8.604 -0.559 25681
73 1 2 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.449 -0.301 25681
74 1 2 . 1 1 431 431 ALA H H 431 8.170 8.170 8.134 0.036 25681
75 1 2 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.219 -0.327 25681
76 1 2 . 1 1 432 432 VAL H H 432 8.039 8.039 7.813 0.226 25681
77 1 2 . 1 1 433 433 SER HA H 433 4.294 4.294 4.491 -0.197 25681
78 1 2 . 1 1 433 433 SER H H 433 8.221 8.221 8.896 -0.675 25681
79 1 2 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.269 -0.282 25681
80 1 2 . 1 1 434 434 GLU H H 434 8.644 8.644 8.411 0.233 25681
81 1 2 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.725 0.389 25681
82 1 2 . 1 1 435 435 TRP H H 435 8.059 8.059 7.438 0.621 25681
83 1 2 . 1 1 436 436 THR HA H 436 4.327 4.327 4.511 -0.184 25681
84 1 2 . 1 1 436 436 THR H H 436 9.307 9.307 8.152 1.155 25681
85 1 2 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.519 -0.337 25681
86 1 2 . 1 1 437 437 GLU H H 437 8.375 8.375 8.440 -0.065 25681
87 1 2 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.583 -0.214 25681
88 1 2 . 1 1 438 438 TYR H H 438 8.435 8.435 8.610 -0.175 25681
89 1 2 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.309 -0.055 25681
90 1 2 . 1 1 439 439 LYS H H 439 8.007 8.007 8.416 -0.409 25681
91 1 2 . 1 1 440 440 THR HA H 440 4.594 4.594 4.701 -0.107 25681
92 1 2 . 1 1 440 440 THR H H 440 9.086 9.086 8.758 0.328 25681
93 1 2 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.216 -0.251 25681
94 1 2 . 1 1 441 441 ALA H H 441 9.053 9.053 8.555 0.498 25681
95 1 2 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.566 -0.107 25681
96 1 2 . 1 1 442 442 ASP H H 442 7.879 7.879 7.721 0.158 25681
97 1 2 . 1 1 443 443 GLY H H 443 7.816 7.816 8.521 -0.705 25681
98 1 2 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.436 -0.079 25681
99 1 2 . 1 1 444 444 LYS H H 444 7.732 7.732 7.841 -0.109 25681
100 1 2 . 1 1 445 445 THR HA H 445 4.780 4.780 4.709 0.071 25681
101 1 2 . 1 1 445 445 THR H H 445 8.542 8.542 8.415 0.127 25681
102 1 2 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.477 0.003 25681
103 1 2 . 1 1 446 446 TYR H H 446 8.546 8.546 7.541 1.005 25681
104 1 2 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.922 0.039 25681
105 1 2 . 1 1 447 447 TYR H H 447 8.684 8.684 9.085 -0.401 25681
106 1 2 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.756 -0.360 25681
107 1 2 . 1 1 448 448 TYR H H 448 9.194 9.194 8.486 0.708 25681
108 1 2 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.784 -0.741 25681
109 1 2 . 1 1 449 449 ASN H H 449 8.054 8.054 7.893 0.161 25681
110 1 2 . 1 1 450 450 ASN HA H 450 3.981 3.981 5.071 -1.090 25681
111 1 2 . 1 1 450 450 ASN H H 450 8.328 8.328 8.951 -0.623 25681
112 1 2 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.569 -0.510 25681
113 1 2 . 1 1 451 451 ARG H H 451 8.219 8.219 8.907 -0.688 25681
114 1 2 . 1 1 452 452 THR HA H 452 3.851 3.851 4.270 -0.419 25681
115 1 2 . 1 1 452 452 THR H H 452 7.646 7.646 7.743 -0.097 25681
116 1 2 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.672 -0.250 25681
117 1 2 . 1 1 453 453 LEU C C 453 1.549 1.549 174.661 -173.112 25681
118 1 2 . 1 1 453 453 LEU H H 453 7.729 7.729 7.089 0.640 25681
119 1 2 . 1 1 455 455 SER C C 455 3.421 3.421 173.740 -170.319 25681
120 1 2 . 1 1 456 456 THR N N 456 2.966 2.966 119.011 -116.045 25681
121 1 2 . 1 1 456 456 THR C C 456 9.917 9.917 174.418 -164.501 25681
122 1 2 . 1 1 457 457 TRP N N 457 6.712 6.712 127.910 -121.198 25681
123 1 2 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.827 2.019 25681
124 1 2 . 1 1 457 457 TRP C C 457 2.500 2.500 176.170 -173.670 25681
125 1 2 . 1 1 457 457 TRP CA C 457 7.107 7.107 57.685 -50.578 25681
126 1 2 . 1 1 458 458 GLU CA C 458 1.155 1.155 54.670 -53.515 25681
127 1 2 . 1 1 458 458 GLU H H 458 1.242 1.242 7.781 -6.539 25681
128 1 2 . 1 1 460 460 PRO HA H 460 1.733 1.733 4.194 -2.461 25681
129 1 2 . 1 1 460 460 PRO CA C 460 1.807 1.807 62.706 -60.899 25681
130 1 2 . 1 1 461 461 GLN N N 461 8.876 8.876 119.548 -110.672 25681
131 1 2 . 1 1 461 461 GLN C C 461 4.192 4.192 176.288 -172.096 25681
132 1 2 . 1 1 461 461 GLN CA C 461 3.933 3.933 57.911 -53.978 25681
133 1 2 . 1 1 461 461 GLN CB C 461 1.843 1.843 27.783 -25.940 25681
134 1 2 . 1 1 462 462 GLU CA C 462 1.056 1.056 57.175 -56.118 25681
135 1 2 . 1 1 462 462 GLU H H 462 1.135 1.135 8.108 -6.973 25681
136 1 2 . 1 1 463 463 LEU CB C 463 7.439 7.439 42.100 -34.661 25681
137 1 3 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.531 -0.372 25681
138 1 3 . 1 1 429 429 ALA H H 429 8.092 8.092 8.430 -0.338 25681
139 1 3 . 1 1 430 430 THR HA H 430 4.095 4.095 4.325 -0.230 25681
140 1 3 . 1 1 430 430 THR H H 430 8.045 8.045 8.653 -0.608 25681
141 1 3 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.523 -0.375 25681
142 1 3 . 1 1 431 431 ALA H H 431 8.170 8.170 8.683 -0.513 25681
143 1 3 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.542 -0.650 25681
144 1 3 . 1 1 432 432 VAL H H 432 8.039 8.039 7.847 0.192 25681
145 1 3 . 1 1 433 433 SER HA H 433 4.294 4.294 4.591 -0.297 25681
146 1 3 . 1 1 433 433 SER H H 433 8.221 8.221 8.472 -0.251 25681
147 1 3 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.314 -0.327 25681
148 1 3 . 1 1 434 434 GLU H H 434 8.644 8.644 8.506 0.138 25681
149 1 3 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.676 0.438 25681
150 1 3 . 1 1 435 435 TRP H H 435 8.059 8.059 7.968 0.091 25681
151 1 3 . 1 1 436 436 THR HA H 436 4.327 4.327 4.472 -0.145 25681
152 1 3 . 1 1 436 436 THR H H 436 9.307 9.307 8.131 1.176 25681
153 1 3 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.636 -0.454 25681
154 1 3 . 1 1 437 437 GLU H H 437 8.375 8.375 8.469 -0.094 25681
155 1 3 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.586 -0.217 25681
156 1 3 . 1 1 438 438 TYR H H 438 8.435 8.435 8.399 0.036 25681
157 1 3 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.559 -0.305 25681
158 1 3 . 1 1 439 439 LYS H H 439 8.007 8.007 8.319 -0.312 25681
159 1 3 . 1 1 440 440 THR HA H 440 4.594 4.594 4.651 -0.057 25681
160 1 3 . 1 1 440 440 THR H H 440 9.086 9.086 8.394 0.692 25681
161 1 3 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.087 -0.122 25681
162 1 3 . 1 1 441 441 ALA H H 441 9.053 9.053 8.847 0.206 25681
163 1 3 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.593 -0.134 25681
164 1 3 . 1 1 442 442 ASP H H 442 7.879 7.879 8.050 -0.171 25681
165 1 3 . 1 1 443 443 GLY H H 443 7.816 7.816 8.277 -0.461 25681
166 1 3 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.365 -0.008 25681
167 1 3 . 1 1 444 444 LYS H H 444 7.732 7.732 8.286 -0.554 25681
168 1 3 . 1 1 445 445 THR HA H 445 4.780 4.780 4.728 0.052 25681
169 1 3 . 1 1 445 445 THR H H 445 8.542 8.542 8.288 0.254 25681
170 1 3 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.478 0.002 25681
171 1 3 . 1 1 446 446 TYR H H 446 8.546 8.546 7.828 0.718 25681
172 1 3 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.879 0.082 25681
173 1 3 . 1 1 447 447 TYR H H 447 8.684 8.684 8.802 -0.118 25681
174 1 3 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.702 -0.306 25681
175 1 3 . 1 1 448 448 TYR H H 448 9.194 9.194 7.955 1.239 25681
176 1 3 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.764 -0.721 25681
177 1 3 . 1 1 449 449 ASN H H 449 8.054 8.054 7.841 0.213 25681
178 1 3 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.971 -0.990 25681
179 1 3 . 1 1 450 450 ASN H H 450 8.328 8.328 8.804 -0.476 25681
180 1 3 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.508 -0.449 25681
181 1 3 . 1 1 451 451 ARG H H 451 8.219 8.219 8.958 -0.739 25681
182 1 3 . 1 1 452 452 THR HA H 452 3.851 3.851 4.300 -0.449 25681
183 1 3 . 1 1 452 452 THR H H 452 7.646 7.646 7.696 -0.050 25681
184 1 3 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.619 -0.197 25681
185 1 3 . 1 1 453 453 LEU C C 453 1.549 1.549 174.543 -172.994 25681
186 1 3 . 1 1 453 453 LEU H H 453 7.729 7.729 7.070 0.659 25681
187 1 3 . 1 1 455 455 SER C C 455 3.421 3.421 173.837 -170.416 25681
188 1 3 . 1 1 456 456 THR N N 456 2.966 2.966 119.617 -116.651 25681
189 1 3 . 1 1 456 456 THR C C 456 9.917 9.917 173.691 -163.774 25681
190 1 3 . 1 1 457 457 TRP N N 457 6.712 6.712 127.149 -120.437 25681
191 1 3 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.851 1.995 25681
192 1 3 . 1 1 457 457 TRP C C 457 2.500 2.500 176.269 -173.769 25681
193 1 3 . 1 1 457 457 TRP CA C 457 7.107 7.107 57.142 -50.035 25681
194 1 3 . 1 1 458 458 GLU CA C 458 1.155 1.155 55.193 -54.038 25681
195 1 3 . 1 1 458 458 GLU H H 458 1.242 1.242 7.782 -6.540 25681
196 1 3 . 1 1 460 460 PRO HA H 460 1.733 1.733 4.310 -2.577 25681
197 1 3 . 1 1 460 460 PRO CA C 460 1.807 1.807 62.290 -60.483 25681
198 1 3 . 1 1 461 461 GLN N N 461 8.876 8.876 118.855 -109.979 25681
199 1 3 . 1 1 461 461 GLN C C 461 4.192 4.192 176.559 -172.367 25681
200 1 3 . 1 1 461 461 GLN CA C 461 3.933 3.933 58.098 -54.165 25681
201 1 3 . 1 1 461 461 GLN CB C 461 1.843 1.843 27.913 -26.070 25681
202 1 3 . 1 1 462 462 GLU CA C 462 1.056 1.056 56.662 -55.606 25681
203 1 3 . 1 1 462 462 GLU H H 462 1.135 1.135 8.169 -7.034 25681
204 1 3 . 1 1 463 463 LEU CB C 463 7.439 7.439 42.656 -35.217 25681
205 1 4 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.709 -0.550 25681
206 1 4 . 1 1 429 429 ALA H H 429 8.092 8.092 8.189 -0.097 25681
207 1 4 . 1 1 430 430 THR HA H 430 4.095 4.095 4.345 -0.250 25681
208 1 4 . 1 1 430 430 THR H H 430 8.045 8.045 8.522 -0.477 25681
209 1 4 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.706 -0.558 25681
210 1 4 . 1 1 431 431 ALA H H 431 8.170 8.170 8.402 -0.232 25681
211 1 4 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.446 -0.554 25681
212 1 4 . 1 1 432 432 VAL H H 432 8.039 8.039 8.638 -0.599 25681
213 1 4 . 1 1 433 433 SER HA H 433 4.294 4.294 4.500 -0.206 25681
214 1 4 . 1 1 433 433 SER H H 433 8.221 8.221 8.418 -0.197 25681
215 1 4 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.188 -0.201 25681
216 1 4 . 1 1 434 434 GLU H H 434 8.644 8.644 8.234 0.410 25681
217 1 4 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.698 0.416 25681
218 1 4 . 1 1 435 435 TRP H H 435 8.059 8.059 7.415 0.644 25681
219 1 4 . 1 1 436 436 THR HA H 436 4.327 4.327 4.541 -0.214 25681
220 1 4 . 1 1 436 436 THR H H 436 9.307 9.307 7.964 1.343 25681
221 1 4 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.527 -0.345 25681
222 1 4 . 1 1 437 437 GLU H H 437 8.375 8.375 8.440 -0.065 25681
223 1 4 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.535 -0.166 25681
224 1 4 . 1 1 438 438 TYR H H 438 8.435 8.435 8.608 -0.173 25681
225 1 4 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.650 -0.396 25681
226 1 4 . 1 1 439 439 LYS H H 439 8.007 8.007 8.312 -0.305 25681
227 1 4 . 1 1 440 440 THR HA H 440 4.594 4.594 4.621 -0.027 25681
228 1 4 . 1 1 440 440 THR H H 440 9.086 9.086 8.405 0.681 25681
229 1 4 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.063 -0.098 25681
230 1 4 . 1 1 441 441 ALA H H 441 9.053 9.053 8.759 0.294 25681
231 1 4 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.553 -0.094 25681
232 1 4 . 1 1 442 442 ASP H H 442 7.879 7.879 8.131 -0.252 25681
233 1 4 . 1 1 443 443 GLY H H 443 7.816 7.816 8.370 -0.554 25681
234 1 4 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.388 -0.031 25681
235 1 4 . 1 1 444 444 LYS H H 444 7.732 7.732 8.180 -0.448 25681
236 1 4 . 1 1 445 445 THR HA H 445 4.780 4.780 4.785 -0.005 25681
237 1 4 . 1 1 445 445 THR H H 445 8.542 8.542 8.483 0.059 25681
238 1 4 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.641 -0.161 25681
239 1 4 . 1 1 446 446 TYR H H 446 8.546 8.546 7.721 0.825 25681
240 1 4 . 1 1 447 447 TYR HA H 447 4.961 4.961 5.005 -0.044 25681
241 1 4 . 1 1 447 447 TYR H H 447 8.684 8.684 9.036 -0.352 25681
242 1 4 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.693 -0.297 25681
243 1 4 . 1 1 448 448 TYR H H 448 9.194 9.194 8.407 0.787 25681
244 1 4 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.800 -0.757 25681
245 1 4 . 1 1 449 449 ASN H H 449 8.054 8.054 7.884 0.170 25681
246 1 4 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.919 -0.938 25681
247 1 4 . 1 1 450 450 ASN H H 450 8.328 8.328 8.620 -0.292 25681
248 1 4 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.433 -0.374 25681
249 1 4 . 1 1 451 451 ARG H H 451 8.219 8.219 9.012 -0.793 25681
250 1 4 . 1 1 452 452 THR HA H 452 3.851 3.851 4.242 -0.391 25681
251 1 4 . 1 1 452 452 THR H H 452 7.646 7.646 7.912 -0.266 25681
252 1 4 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.722 -0.300 25681
253 1 4 . 1 1 453 453 LEU C C 453 1.549 1.549 174.716 -173.167 25681
254 1 4 . 1 1 453 453 LEU H H 453 7.729 7.729 7.169 0.560 25681
255 1 4 . 1 1 455 455 SER C C 455 3.421 3.421 173.839 -170.418 25681
256 1 4 . 1 1 456 456 THR N N 456 2.966 2.966 119.543 -116.577 25681
257 1 4 . 1 1 456 456 THR C C 456 9.917 9.917 174.706 -164.789 25681
258 1 4 . 1 1 457 457 TRP N N 457 6.712 6.712 127.368 -120.656 25681
259 1 4 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.783 2.063 25681
260 1 4 . 1 1 457 457 TRP C C 457 2.500 2.500 176.525 -174.025 25681
261 1 4 . 1 1 457 457 TRP CA C 457 7.107 7.107 58.090 -50.983 25681
262 1 4 . 1 1 458 458 GLU CA C 458 1.155 1.155 55.516 -54.361 25681
263 1 4 . 1 1 458 458 GLU H H 458 1.242 1.242 7.741 -6.499 25681
264 1 4 . 1 1 460 460 PRO HA H 460 1.733 1.733 3.948 -2.215 25681
265 1 4 . 1 1 460 460 PRO CA C 460 1.807 1.807 63.083 -61.276 25681
266 1 4 . 1 1 461 461 GLN N N 461 8.876 8.876 122.261 -113.385 25681
267 1 4 . 1 1 461 461 GLN C C 461 4.192 4.192 176.808 -172.616 25681
268 1 4 . 1 1 461 461 GLN CA C 461 3.933 3.933 58.626 -54.693 25681
269 1 4 . 1 1 461 461 GLN CB C 461 1.843 1.843 28.566 -26.723 25681
270 1 4 . 1 1 462 462 GLU CA C 462 1.056 1.056 56.402 -55.346 25681
271 1 4 . 1 1 462 462 GLU H H 462 1.135 1.135 8.229 -7.094 25681
272 1 4 . 1 1 463 463 LEU CB C 463 7.439 7.439 42.601 -35.162 25681
273 1 5 . 1 1 429 429 ALA HA H 429 4.159 4.159 3.974 0.185 25681
274 1 5 . 1 1 429 429 ALA H H 429 8.092 8.092 8.312 -0.220 25681
275 1 5 . 1 1 430 430 THR HA H 430 4.095 4.095 4.377 -0.282 25681
276 1 5 . 1 1 430 430 THR H H 430 8.045 8.045 7.937 0.108 25681
277 1 5 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.421 -0.274 25681
278 1 5 . 1 1 431 431 ALA H H 431 8.170 8.170 7.909 0.261 25681
279 1 5 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.125 -0.233 25681
280 1 5 . 1 1 432 432 VAL H H 432 8.039 8.039 7.780 0.259 25681
281 1 5 . 1 1 433 433 SER HA H 433 4.294 4.294 4.659 -0.365 25681
282 1 5 . 1 1 433 433 SER H H 433 8.221 8.221 8.539 -0.318 25681
283 1 5 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.258 -0.271 25681
284 1 5 . 1 1 434 434 GLU H H 434 8.644 8.644 8.386 0.258 25681
285 1 5 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.772 0.342 25681
286 1 5 . 1 1 435 435 TRP H H 435 8.059 8.059 7.946 0.113 25681
287 1 5 . 1 1 436 436 THR HA H 436 4.327 4.327 4.571 -0.244 25681
288 1 5 . 1 1 436 436 THR H H 436 9.307 9.307 8.078 1.229 25681
289 1 5 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.582 -0.400 25681
290 1 5 . 1 1 437 437 GLU H H 437 8.375 8.375 8.482 -0.107 25681
291 1 5 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.568 -0.199 25681
292 1 5 . 1 1 438 438 TYR H H 438 8.435 8.435 8.610 -0.175 25681
293 1 5 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.579 -0.325 25681
294 1 5 . 1 1 439 439 LYS H H 439 8.007 8.007 8.378 -0.371 25681
295 1 5 . 1 1 440 440 THR HA H 440 4.594 4.594 4.628 -0.034 25681
296 1 5 . 1 1 440 440 THR H H 440 9.086 9.086 8.430 0.656 25681
297 1 5 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.092 -0.127 25681
298 1 5 . 1 1 441 441 ALA H H 441 9.053 9.053 8.734 0.319 25681
299 1 5 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.578 -0.119 25681
300 1 5 . 1 1 442 442 ASP H H 442 7.879 7.879 8.013 -0.134 25681
301 1 5 . 1 1 443 443 GLY H H 443 7.816 7.816 8.321 -0.505 25681
302 1 5 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.389 -0.032 25681
303 1 5 . 1 1 444 444 LYS H H 444 7.732 7.732 8.177 -0.445 25681
304 1 5 . 1 1 445 445 THR HA H 445 4.780 4.780 4.801 -0.021 25681
305 1 5 . 1 1 445 445 THR H H 445 8.542 8.542 8.389 0.153 25681
306 1 5 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.703 -0.223 25681
307 1 5 . 1 1 446 446 TYR H H 446 8.546 8.546 7.871 0.675 25681
308 1 5 . 1 1 447 447 TYR HA H 447 4.961 4.961 5.041 -0.080 25681
309 1 5 . 1 1 447 447 TYR H H 447 8.684 8.684 9.199 -0.515 25681
310 1 5 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.834 -0.438 25681
311 1 5 . 1 1 448 448 TYR H H 448 9.194 9.194 8.504 0.690 25681
312 1 5 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.829 -0.786 25681
313 1 5 . 1 1 449 449 ASN H H 449 8.054 8.054 7.948 0.106 25681
314 1 5 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.974 -0.993 25681
315 1 5 . 1 1 450 450 ASN H H 450 8.328 8.328 8.809 -0.481 25681
316 1 5 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.549 -0.490 25681
317 1 5 . 1 1 451 451 ARG H H 451 8.219 8.219 9.153 -0.934 25681
318 1 5 . 1 1 452 452 THR HA H 452 3.851 3.851 4.265 -0.414 25681
319 1 5 . 1 1 452 452 THR H H 452 7.646 7.646 7.646 -0.000 25681
320 1 5 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.565 -0.143 25681
321 1 5 . 1 1 453 453 LEU C C 453 1.549 1.549 174.791 -173.242 25681
322 1 5 . 1 1 453 453 LEU H H 453 7.729 7.729 7.107 0.622 25681
323 1 5 . 1 1 455 455 SER C C 455 3.421 3.421 173.752 -170.331 25681
324 1 5 . 1 1 456 456 THR N N 456 2.966 2.966 119.459 -116.493 25681
325 1 5 . 1 1 456 456 THR C C 456 9.917 9.917 174.522 -164.605 25681
326 1 5 . 1 1 457 457 TRP N N 457 6.712 6.712 126.694 -119.982 25681
327 1 5 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.784 2.062 25681
328 1 5 . 1 1 457 457 TRP C C 457 2.500 2.500 176.312 -173.812 25681
329 1 5 . 1 1 457 457 TRP CA C 457 7.107 7.107 57.587 -50.480 25681
330 1 5 . 1 1 458 458 GLU CA C 458 1.155 1.155 54.982 -53.827 25681
331 1 5 . 1 1 458 458 GLU H H 458 1.242 1.242 7.696 -6.454 25681
332 1 5 . 1 1 460 460 PRO HA H 460 1.733 1.733 4.363 -2.630 25681
333 1 5 . 1 1 460 460 PRO CA C 460 1.807 1.807 62.093 -60.286 25681
334 1 5 . 1 1 461 461 GLN N N 461 8.876 8.876 117.982 -109.106 25681
335 1 5 . 1 1 461 461 GLN C C 461 4.192 4.192 176.857 -172.665 25681
336 1 5 . 1 1 461 461 GLN CA C 461 3.933 3.933 58.478 -54.545 25681
337 1 5 . 1 1 461 461 GLN CB C 461 1.843 1.843 28.033 -26.190 25681
338 1 5 . 1 1 462 462 GLU CA C 462 1.056 1.056 56.709 -55.653 25681
339 1 5 . 1 1 462 462 GLU H H 462 1.135 1.135 8.486 -7.351 25681
340 1 5 . 1 1 463 463 LEU CB C 463 7.439 7.439 41.989 -34.550 25681
341 1 6 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.783 -0.624 25681
342 1 6 . 1 1 429 429 ALA H H 429 8.092 8.092 8.268 -0.176 25681
343 1 6 . 1 1 430 430 THR HA H 430 4.095 4.095 4.354 -0.259 25681
344 1 6 . 1 1 430 430 THR H H 430 8.045 8.045 8.594 -0.549 25681
345 1 6 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.592 -0.444 25681
346 1 6 . 1 1 431 431 ALA H H 431 8.170 8.170 7.850 0.320 25681
347 1 6 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.541 -0.649 25681
348 1 6 . 1 1 432 432 VAL H H 432 8.039 8.039 8.425 -0.386 25681
349 1 6 . 1 1 433 433 SER HA H 433 4.294 4.294 4.625 -0.331 25681
350 1 6 . 1 1 433 433 SER H H 433 8.221 8.221 8.812 -0.591 25681
351 1 6 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.250 -0.263 25681
352 1 6 . 1 1 434 434 GLU H H 434 8.644 8.644 8.542 0.102 25681
353 1 6 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.703 0.411 25681
354 1 6 . 1 1 435 435 TRP H H 435 8.059 8.059 7.957 0.102 25681
355 1 6 . 1 1 436 436 THR HA H 436 4.327 4.327 4.471 -0.144 25681
356 1 6 . 1 1 436 436 THR H H 436 9.307 9.307 8.084 1.223 25681
357 1 6 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.568 -0.386 25681
358 1 6 . 1 1 437 437 GLU H H 437 8.375 8.375 8.613 -0.238 25681
359 1 6 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.583 -0.214 25681
360 1 6 . 1 1 438 438 TYR H H 438 8.435 8.435 8.357 0.078 25681
361 1 6 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.685 -0.431 25681
362 1 6 . 1 1 439 439 LYS H H 439 8.007 8.007 8.405 -0.398 25681
363 1 6 . 1 1 440 440 THR HA H 440 4.594 4.594 4.641 -0.047 25681
364 1 6 . 1 1 440 440 THR H H 440 9.086 9.086 8.377 0.709 25681
365 1 6 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.135 -0.170 25681
366 1 6 . 1 1 441 441 ALA H H 441 9.053 9.053 8.872 0.181 25681
367 1 6 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.584 -0.125 25681
368 1 6 . 1 1 442 442 ASP H H 442 7.879 7.879 8.030 -0.151 25681
369 1 6 . 1 1 443 443 GLY H H 443 7.816 7.816 8.338 -0.522 25681
370 1 6 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.391 -0.034 25681
371 1 6 . 1 1 444 444 LYS H H 444 7.732 7.732 7.893 -0.161 25681
372 1 6 . 1 1 445 445 THR HA H 445 4.780 4.780 4.826 -0.046 25681
373 1 6 . 1 1 445 445 THR H H 445 8.542 8.542 8.498 0.044 25681
374 1 6 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.635 -0.155 25681
375 1 6 . 1 1 446 446 TYR H H 446 8.546 8.546 7.869 0.677 25681
376 1 6 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.971 -0.010 25681
377 1 6 . 1 1 447 447 TYR H H 447 8.684 8.684 9.087 -0.403 25681
378 1 6 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.732 -0.336 25681
379 1 6 . 1 1 448 448 TYR H H 448 9.194 9.194 8.330 0.864 25681
380 1 6 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.725 -0.682 25681
381 1 6 . 1 1 449 449 ASN H H 449 8.054 8.054 7.750 0.304 25681
382 1 6 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.979 -0.998 25681
383 1 6 . 1 1 450 450 ASN H H 450 8.328 8.328 8.806 -0.478 25681
384 1 6 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.491 -0.432 25681
385 1 6 . 1 1 451 451 ARG H H 451 8.219 8.219 9.180 -0.961 25681
386 1 6 . 1 1 452 452 THR HA H 452 3.851 3.851 4.250 -0.399 25681
387 1 6 . 1 1 452 452 THR H H 452 7.646 7.646 7.556 0.090 25681
388 1 6 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.563 -0.141 25681
389 1 6 . 1 1 453 453 LEU C C 453 1.549 1.549 174.761 -173.212 25681
390 1 6 . 1 1 453 453 LEU H H 453 7.729 7.729 7.121 0.608 25681
391 1 6 . 1 1 455 455 SER C C 455 3.421 3.421 173.716 -170.295 25681
392 1 6 . 1 1 456 456 THR N N 456 2.966 2.966 118.822 -115.856 25681
393 1 6 . 1 1 456 456 THR C C 456 9.917 9.917 174.420 -164.503 25681
394 1 6 . 1 1 457 457 TRP N N 457 6.712 6.712 127.339 -120.627 25681
395 1 6 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.873 1.973 25681
396 1 6 . 1 1 457 457 TRP C C 457 2.500 2.500 176.367 -173.867 25681
397 1 6 . 1 1 457 457 TRP CA C 457 7.107 7.107 57.302 -50.195 25681
398 1 6 . 1 1 458 458 GLU CA C 458 1.155 1.155 54.532 -53.377 25681
399 1 6 . 1 1 458 458 GLU H H 458 1.242 1.242 7.807 -6.565 25681
400 1 6 . 1 1 460 460 PRO HA H 460 1.733 1.733 4.433 -2.700 25681
401 1 6 . 1 1 460 460 PRO CA C 460 1.807 1.807 62.000 -60.193 25681
402 1 6 . 1 1 461 461 GLN N N 461 8.876 8.876 118.830 -109.954 25681
403 1 6 . 1 1 461 461 GLN C C 461 4.192 4.192 177.283 -173.091 25681
404 1 6 . 1 1 461 461 GLN CA C 461 3.933 3.933 58.753 -54.820 25681
405 1 6 . 1 1 461 461 GLN CB C 461 1.843 1.843 28.046 -26.203 25681
406 1 6 . 1 1 462 462 GLU CA C 462 1.056 1.056 57.728 -56.672 25681
407 1 6 . 1 1 462 462 GLU H H 462 1.135 1.135 8.526 -7.391 25681
408 1 6 . 1 1 463 463 LEU CB C 463 7.439 7.439 42.584 -35.145 25681
409 1 7 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.632 -0.473 25681
410 1 7 . 1 1 429 429 ALA H H 429 8.092 8.092 7.850 0.242 25681
411 1 7 . 1 1 430 430 THR HA H 430 4.095 4.095 4.241 -0.146 25681
412 1 7 . 1 1 430 430 THR H H 430 8.045 8.045 8.281 -0.236 25681
413 1 7 . 1 1 431 431 ALA HA H 431 4.148 4.148 3.978 0.170 25681
414 1 7 . 1 1 431 431 ALA H H 431 8.170 8.170 8.279 -0.109 25681
415 1 7 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.442 -0.550 25681
416 1 7 . 1 1 432 432 VAL H H 432 8.039 8.039 8.309 -0.270 25681
417 1 7 . 1 1 433 433 SER HA H 433 4.294 4.294 4.607 -0.313 25681
418 1 7 . 1 1 433 433 SER H H 433 8.221 8.221 8.546 -0.325 25681
419 1 7 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.159 -0.172 25681
420 1 7 . 1 1 434 434 GLU H H 434 8.644 8.644 8.460 0.184 25681
421 1 7 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.667 0.447 25681
422 1 7 . 1 1 435 435 TRP H H 435 8.059 8.059 7.949 0.110 25681
423 1 7 . 1 1 436 436 THR HA H 436 4.327 4.327 4.459 -0.132 25681
424 1 7 . 1 1 436 436 THR H H 436 9.307 9.307 8.122 1.185 25681
425 1 7 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.604 -0.422 25681
426 1 7 . 1 1 437 437 GLU H H 437 8.375 8.375 8.454 -0.079 25681
427 1 7 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.622 -0.253 25681
428 1 7 . 1 1 438 438 TYR H H 438 8.435 8.435 8.443 -0.008 25681
429 1 7 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.670 -0.416 25681
430 1 7 . 1 1 439 439 LYS H H 439 8.007 8.007 8.455 -0.448 25681
431 1 7 . 1 1 440 440 THR HA H 440 4.594 4.594 4.767 -0.173 25681
432 1 7 . 1 1 440 440 THR H H 440 9.086 9.086 8.465 0.621 25681
433 1 7 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.162 -0.197 25681
434 1 7 . 1 1 441 441 ALA H H 441 9.053 9.053 8.745 0.308 25681
435 1 7 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.636 -0.177 25681
436 1 7 . 1 1 442 442 ASP H H 442 7.879 7.879 8.223 -0.344 25681
437 1 7 . 1 1 443 443 GLY H H 443 7.816 7.816 8.447 -0.631 25681
438 1 7 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.550 -0.193 25681
439 1 7 . 1 1 444 444 LYS H H 444 7.732 7.732 7.823 -0.091 25681
440 1 7 . 1 1 445 445 THR HA H 445 4.780 4.780 4.936 -0.156 25681
441 1 7 . 1 1 445 445 THR H H 445 8.542 8.542 8.724 -0.182 25681
442 1 7 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.523 -0.043 25681
443 1 7 . 1 1 446 446 TYR H H 446 8.546 8.546 7.927 0.619 25681
444 1 7 . 1 1 447 447 TYR HA H 447 4.961 4.961 5.019 -0.058 25681
445 1 7 . 1 1 447 447 TYR H H 447 8.684 8.684 9.085 -0.401 25681
446 1 7 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.781 -0.385 25681
447 1 7 . 1 1 448 448 TYR H H 448 9.194 9.194 8.159 1.035 25681
448 1 7 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.665 -0.622 25681
449 1 7 . 1 1 449 449 ASN H H 449 8.054 8.054 7.737 0.317 25681
450 1 7 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.875 -0.894 25681
451 1 7 . 1 1 450 450 ASN H H 450 8.328 8.328 8.885 -0.557 25681
452 1 7 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.479 -0.420 25681
453 1 7 . 1 1 451 451 ARG H H 451 8.219 8.219 9.144 -0.925 25681
454 1 7 . 1 1 452 452 THR HA H 452 3.851 3.851 4.243 -0.392 25681
455 1 7 . 1 1 452 452 THR H H 452 7.646 7.646 7.476 0.170 25681
456 1 7 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.577 -0.155 25681
457 1 7 . 1 1 453 453 LEU C C 453 1.549 1.549 174.695 -173.146 25681
458 1 7 . 1 1 453 453 LEU H H 453 7.729 7.729 7.090 0.639 25681
459 1 7 . 1 1 455 455 SER C C 455 3.421 3.421 173.811 -170.390 25681
460 1 7 . 1 1 456 456 THR N N 456 2.966 2.966 119.046 -116.080 25681
461 1 7 . 1 1 456 456 THR C C 456 9.917 9.917 174.598 -164.681 25681
462 1 7 . 1 1 457 457 TRP N N 457 6.712 6.712 127.602 -120.890 25681
463 1 7 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.809 2.037 25681
464 1 7 . 1 1 457 457 TRP C C 457 2.500 2.500 176.381 -173.881 25681
465 1 7 . 1 1 457 457 TRP CA C 457 7.107 7.107 57.767 -50.660 25681
466 1 7 . 1 1 458 458 GLU CA C 458 1.155 1.155 54.922 -53.767 25681
467 1 7 . 1 1 458 458 GLU H H 458 1.242 1.242 7.746 -6.504 25681
468 1 7 . 1 1 460 460 PRO HA H 460 1.733 1.733 4.397 -2.664 25681
469 1 7 . 1 1 460 460 PRO CA C 460 1.807 1.807 62.280 -60.473 25681
470 1 7 . 1 1 461 461 GLN N N 461 8.876 8.876 118.530 -109.654 25681
471 1 7 . 1 1 461 461 GLN C C 461 4.192 4.192 177.100 -172.908 25681
472 1 7 . 1 1 461 461 GLN CA C 461 3.933 3.933 58.571 -54.638 25681
473 1 7 . 1 1 461 461 GLN CB C 461 1.843 1.843 27.799 -25.956 25681
474 1 7 . 1 1 462 462 GLU CA C 462 1.056 1.056 57.422 -56.366 25681
475 1 7 . 1 1 462 462 GLU H H 462 1.135 1.135 8.338 -7.203 25681
476 1 7 . 1 1 463 463 LEU CB C 463 7.439 7.439 42.340 -34.901 25681
477 1 8 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.516 -0.357 25681
478 1 8 . 1 1 429 429 ALA H H 429 8.092 8.092 8.197 -0.105 25681
479 1 8 . 1 1 430 430 THR HA H 430 4.095 4.095 3.793 0.301 25681
480 1 8 . 1 1 430 430 THR H H 430 8.045 8.045 8.566 -0.521 25681
481 1 8 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.533 -0.385 25681
482 1 8 . 1 1 431 431 ALA H H 431 8.170 8.170 8.002 0.168 25681
483 1 8 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.436 -0.544 25681
484 1 8 . 1 1 432 432 VAL H H 432 8.039 8.039 8.487 -0.448 25681
485 1 8 . 1 1 433 433 SER HA H 433 4.294 4.294 4.663 -0.369 25681
486 1 8 . 1 1 433 433 SER H H 433 8.221 8.221 8.680 -0.459 25681
487 1 8 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.242 -0.256 25681
488 1 8 . 1 1 434 434 GLU H H 434 8.644 8.644 8.341 0.303 25681
489 1 8 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.698 0.416 25681
490 1 8 . 1 1 435 435 TRP H H 435 8.059 8.059 7.921 0.138 25681
491 1 8 . 1 1 436 436 THR HA H 436 4.327 4.327 4.495 -0.168 25681
492 1 8 . 1 1 436 436 THR H H 436 9.307 9.307 8.050 1.257 25681
493 1 8 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.554 -0.372 25681
494 1 8 . 1 1 437 437 GLU H H 437 8.375 8.375 8.414 -0.039 25681
495 1 8 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.597 -0.228 25681
496 1 8 . 1 1 438 438 TYR H H 438 8.435 8.435 8.350 0.085 25681
497 1 8 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.634 -0.380 25681
498 1 8 . 1 1 439 439 LYS H H 439 8.007 8.007 8.334 -0.327 25681
499 1 8 . 1 1 440 440 THR HA H 440 4.594 4.594 4.622 -0.028 25681
500 1 8 . 1 1 440 440 THR H H 440 9.086 9.086 8.376 0.710 25681
501 1 8 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.067 -0.102 25681
502 1 8 . 1 1 441 441 ALA H H 441 9.053 9.053 8.733 0.320 25681
503 1 8 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.580 -0.121 25681
504 1 8 . 1 1 442 442 ASP H H 442 7.879 7.879 8.062 -0.183 25681
505 1 8 . 1 1 443 443 GLY H H 443 7.816 7.816 8.278 -0.462 25681
506 1 8 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.421 -0.064 25681
507 1 8 . 1 1 444 444 LYS H H 444 7.732 7.732 8.319 -0.587 25681
508 1 8 . 1 1 445 445 THR HA H 445 4.780 4.780 4.740 0.040 25681
509 1 8 . 1 1 445 445 THR H H 445 8.542 8.542 8.549 -0.007 25681
510 1 8 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.566 -0.086 25681
511 1 8 . 1 1 446 446 TYR H H 446 8.546 8.546 7.920 0.626 25681
512 1 8 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.986 -0.025 25681
513 1 8 . 1 1 447 447 TYR H H 447 8.684 8.684 9.039 -0.355 25681
514 1 8 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.826 -0.430 25681
515 1 8 . 1 1 448 448 TYR H H 448 9.194 9.194 8.371 0.823 25681
516 1 8 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.757 -0.714 25681
517 1 8 . 1 1 449 449 ASN H H 449 8.054 8.054 7.908 0.146 25681
518 1 8 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.975 -0.994 25681
519 1 8 . 1 1 450 450 ASN H H 450 8.328 8.328 8.864 -0.536 25681
520 1 8 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.546 -0.487 25681
521 1 8 . 1 1 451 451 ARG H H 451 8.219 8.219 9.118 -0.899 25681
522 1 8 . 1 1 452 452 THR HA H 452 3.851 3.851 4.275 -0.424 25681
523 1 8 . 1 1 452 452 THR H H 452 7.646 7.646 7.621 0.025 25681
524 1 8 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.577 -0.155 25681
525 1 8 . 1 1 453 453 LEU C C 453 1.549 1.549 174.691 -173.142 25681
526 1 8 . 1 1 453 453 LEU H H 453 7.729 7.729 7.062 0.667 25681
527 1 8 . 1 1 455 455 SER C C 455 3.421 3.421 173.670 -170.249 25681
528 1 8 . 1 1 456 456 THR N N 456 2.966 2.966 118.128 -115.162 25681
529 1 8 . 1 1 456 456 THR C C 456 9.917 9.917 174.168 -164.251 25681
530 1 8 . 1 1 457 457 TRP N N 457 6.712 6.712 127.544 -120.832 25681
531 1 8 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.823 2.023 25681
532 1 8 . 1 1 457 457 TRP C C 457 2.500 2.500 176.071 -173.571 25681
533 1 8 . 1 1 457 457 TRP CA C 457 7.107 7.107 57.377 -50.270 25681
534 1 8 . 1 1 458 458 GLU CA C 458 1.155 1.155 54.666 -53.511 25681
535 1 8 . 1 1 458 458 GLU H H 458 1.242 1.242 7.882 -6.640 25681
536 1 8 . 1 1 460 460 PRO HA H 460 1.733 1.733 4.364 -2.631 25681
537 1 8 . 1 1 460 460 PRO CA C 460 1.807 1.807 62.231 -60.424 25681
538 1 8 . 1 1 461 461 GLN N N 461 8.876 8.876 119.434 -110.558 25681
539 1 8 . 1 1 461 461 GLN C C 461 4.192 4.192 177.288 -173.096 25681
540 1 8 . 1 1 461 461 GLN CA C 461 3.933 3.933 58.387 -54.454 25681
541 1 8 . 1 1 461 461 GLN CB C 461 1.843 1.843 27.910 -26.067 25681
542 1 8 . 1 1 462 462 GLU CA C 462 1.056 1.056 56.865 -55.809 25681
543 1 8 . 1 1 462 462 GLU H H 462 1.135 1.135 8.534 -7.399 25681
544 1 8 . 1 1 463 463 LEU CB C 463 7.439 7.439 42.279 -34.840 25681
545 1 9 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.752 -0.593 25681
546 1 9 . 1 1 429 429 ALA H H 429 8.092 8.092 8.060 0.032 25681
547 1 9 . 1 1 430 430 THR HA H 430 4.095 4.095 4.529 -0.434 25681
548 1 9 . 1 1 430 430 THR H H 430 8.045 8.045 8.337 -0.292 25681
549 1 9 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.692 -0.544 25681
550 1 9 . 1 1 431 431 ALA H H 431 8.170 8.170 8.504 -0.334 25681
551 1 9 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.378 -0.486 25681
552 1 9 . 1 1 432 432 VAL H H 432 8.039 8.039 8.534 -0.495 25681
553 1 9 . 1 1 433 433 SER HA H 433 4.294 4.294 4.481 -0.187 25681
554 1 9 . 1 1 433 433 SER H H 433 8.221 8.221 7.883 0.338 25681
555 1 9 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.218 -0.231 25681
556 1 9 . 1 1 434 434 GLU H H 434 8.644 8.644 8.454 0.190 25681
557 1 9 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.714 0.400 25681
558 1 9 . 1 1 435 435 TRP H H 435 8.059 8.059 7.421 0.638 25681
559 1 9 . 1 1 436 436 THR HA H 436 4.327 4.327 4.522 -0.195 25681
560 1 9 . 1 1 436 436 THR H H 436 9.307 9.307 8.014 1.293 25681
561 1 9 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.650 -0.468 25681
562 1 9 . 1 1 437 437 GLU H H 437 8.375 8.375 8.629 -0.254 25681
563 1 9 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.543 -0.174 25681
564 1 9 . 1 1 438 438 TYR H H 438 8.435 8.435 8.260 0.175 25681
565 1 9 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.661 -0.407 25681
566 1 9 . 1 1 439 439 LYS H H 439 8.007 8.007 8.336 -0.329 25681
567 1 9 . 1 1 440 440 THR HA H 440 4.594 4.594 4.698 -0.104 25681
568 1 9 . 1 1 440 440 THR H H 440 9.086 9.086 8.556 0.530 25681
569 1 9 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.155 -0.190 25681
570 1 9 . 1 1 441 441 ALA H H 441 9.053 9.053 8.830 0.223 25681
571 1 9 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.615 -0.156 25681
572 1 9 . 1 1 442 442 ASP H H 442 7.879 7.879 7.956 -0.077 25681
573 1 9 . 1 1 443 443 GLY H H 443 7.816 7.816 8.253 -0.437 25681
574 1 9 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.478 -0.121 25681
575 1 9 . 1 1 444 444 LYS H H 444 7.732 7.732 8.260 -0.528 25681
576 1 9 . 1 1 445 445 THR HA H 445 4.780 4.780 4.896 -0.116 25681
577 1 9 . 1 1 445 445 THR H H 445 8.542 8.542 8.589 -0.047 25681
578 1 9 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.611 -0.131 25681
579 1 9 . 1 1 446 446 TYR H H 446 8.546 8.546 7.956 0.590 25681
580 1 9 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.992 -0.031 25681
581 1 9 . 1 1 447 447 TYR H H 447 8.684 8.684 9.096 -0.412 25681
582 1 9 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.661 -0.265 25681
583 1 9 . 1 1 448 448 TYR H H 448 9.194 9.194 8.734 0.460 25681
584 1 9 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.832 -0.789 25681
585 1 9 . 1 1 449 449 ASN H H 449 8.054 8.054 7.932 0.122 25681
586 1 9 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.984 -1.003 25681
587 1 9 . 1 1 450 450 ASN H H 450 8.328 8.328 8.678 -0.349 25681
588 1 9 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.414 -0.355 25681
589 1 9 . 1 1 451 451 ARG H H 451 8.219 8.219 9.090 -0.871 25681
590 1 9 . 1 1 452 452 THR HA H 452 3.851 3.851 4.177 -0.326 25681
591 1 9 . 1 1 452 452 THR H H 452 7.646 7.646 7.848 -0.202 25681
592 1 9 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.827 -0.405 25681
593 1 9 . 1 1 453 453 LEU C C 453 1.549 1.549 174.711 -173.162 25681
594 1 9 . 1 1 453 453 LEU H H 453 7.729 7.729 7.281 0.448 25681
595 1 9 . 1 1 455 455 SER C C 455 3.421 3.421 173.602 -170.181 25681
596 1 9 . 1 1 456 456 THR N N 456 2.966 2.966 118.993 -116.027 25681
597 1 9 . 1 1 456 456 THR C C 456 9.917 9.917 174.441 -164.524 25681
598 1 9 . 1 1 457 457 TRP N N 457 6.712 6.712 126.967 -120.255 25681
599 1 9 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.784 2.062 25681
600 1 9 . 1 1 457 457 TRP C C 457 2.500 2.500 176.082 -173.582 25681
601 1 9 . 1 1 457 457 TRP CA C 457 7.107 7.107 57.657 -50.550 25681
602 1 9 . 1 1 458 458 GLU CA C 458 1.155 1.155 54.398 -53.243 25681
603 1 9 . 1 1 458 458 GLU H H 458 1.242 1.242 7.831 -6.589 25681
604 1 9 . 1 1 460 460 PRO HA H 460 1.733 1.733 3.918 -2.185 25681
605 1 9 . 1 1 460 460 PRO CA C 460 1.807 1.807 62.832 -61.025 25681
606 1 9 . 1 1 461 461 GLN N N 461 8.876 8.876 122.053 -113.177 25681
607 1 9 . 1 1 461 461 GLN C C 461 4.192 4.192 176.278 -172.086 25681
608 1 9 . 1 1 461 461 GLN CA C 461 3.933 3.933 58.492 -54.559 25681
609 1 9 . 1 1 461 461 GLN CB C 461 1.843 1.843 27.807 -25.964 25681
610 1 9 . 1 1 462 462 GLU CA C 462 1.056 1.056 56.190 -55.134 25681
611 1 9 . 1 1 462 462 GLU H H 462 1.135 1.135 8.068 -6.933 25681
612 1 9 . 1 1 463 463 LEU CB C 463 7.439 7.439 42.737 -35.298 25681
613 1 10 . 1 1 429 429 ALA HA H 429 4.159 4.159 3.986 0.173 25681
614 1 10 . 1 1 429 429 ALA H H 429 8.092 8.092 8.416 -0.324 25681
615 1 10 . 1 1 430 430 THR HA H 430 4.095 4.095 3.944 0.151 25681
616 1 10 . 1 1 430 430 THR H H 430 8.045 8.045 8.602 -0.557 25681
617 1 10 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.342 -0.194 25681
618 1 10 . 1 1 431 431 ALA H H 431 8.170 8.170 7.959 0.211 25681
619 1 10 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.273 -0.381 25681
620 1 10 . 1 1 432 432 VAL H H 432 8.039 8.039 8.367 -0.328 25681
621 1 10 . 1 1 433 433 SER HA H 433 4.294 4.294 4.442 -0.148 25681
622 1 10 . 1 1 433 433 SER H H 433 8.221 8.221 8.804 -0.583 25681
623 1 10 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.179 -0.192 25681
624 1 10 . 1 1 434 434 GLU H H 434 8.644 8.644 8.193 0.451 25681
625 1 10 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.721 0.393 25681
626 1 10 . 1 1 435 435 TRP H H 435 8.059 8.059 7.430 0.629 25681
627 1 10 . 1 1 436 436 THR HA H 436 4.327 4.327 4.542 -0.215 25681
628 1 10 . 1 1 436 436 THR H H 436 9.307 9.307 8.152 1.155 25681
629 1 10 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.425 -0.243 25681
630 1 10 . 1 1 437 437 GLU H H 437 8.375 8.375 8.646 -0.271 25681
631 1 10 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.525 -0.156 25681
632 1 10 . 1 1 438 438 TYR H H 438 8.435 8.435 8.518 -0.083 25681
633 1 10 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.511 -0.257 25681
634 1 10 . 1 1 439 439 LYS H H 439 8.007 8.007 8.483 -0.476 25681
635 1 10 . 1 1 440 440 THR HA H 440 4.594 4.594 4.702 -0.108 25681
636 1 10 . 1 1 440 440 THR H H 440 9.086 9.086 8.770 0.316 25681
637 1 10 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.191 -0.226 25681
638 1 10 . 1 1 441 441 ALA H H 441 9.053 9.053 8.679 0.374 25681
639 1 10 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.541 -0.082 25681
640 1 10 . 1 1 442 442 ASP H H 442 7.879 7.879 7.981 -0.102 25681
641 1 10 . 1 1 443 443 GLY H H 443 7.816 7.816 8.568 -0.752 25681
642 1 10 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.440 -0.083 25681
643 1 10 . 1 1 444 444 LYS H H 444 7.732 7.732 7.885 -0.153 25681
644 1 10 . 1 1 445 445 THR HA H 445 4.780 4.780 5.006 -0.226 25681
645 1 10 . 1 1 445 445 THR H H 445 8.542 8.542 8.488 0.054 25681
646 1 10 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.462 0.018 25681
647 1 10 . 1 1 446 446 TYR H H 446 8.546 8.546 7.684 0.862 25681
648 1 10 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.982 -0.021 25681
649 1 10 . 1 1 447 447 TYR H H 447 8.684 8.684 9.059 -0.375 25681
650 1 10 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.791 -0.395 25681
651 1 10 . 1 1 448 448 TYR H H 448 9.194 9.194 9.038 0.156 25681
652 1 10 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.809 -0.766 25681
653 1 10 . 1 1 449 449 ASN H H 449 8.054 8.054 7.928 0.126 25681
654 1 10 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.977 -0.996 25681
655 1 10 . 1 1 450 450 ASN H H 450 8.328 8.328 8.793 -0.465 25681
656 1 10 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.612 -0.553 25681
657 1 10 . 1 1 451 451 ARG H H 451 8.219 8.219 8.985 -0.766 25681
658 1 10 . 1 1 452 452 THR HA H 452 3.851 3.851 4.301 -0.450 25681
659 1 10 . 1 1 452 452 THR H H 452 7.646 7.646 7.969 -0.323 25681
660 1 10 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.695 -0.273 25681
661 1 10 . 1 1 453 453 LEU C C 453 1.549 1.549 174.607 -173.058 25681
662 1 10 . 1 1 453 453 LEU H H 453 7.729 7.729 7.202 0.527 25681
663 1 10 . 1 1 455 455 SER C C 455 3.421 3.421 174.078 -170.657 25681
664 1 10 . 1 1 456 456 THR N N 456 2.966 2.966 121.239 -118.273 25681
665 1 10 . 1 1 456 456 THR C C 456 9.917 9.917 174.295 -164.378 25681
666 1 10 . 1 1 457 457 TRP N N 457 6.712 6.712 125.562 -118.850 25681
667 1 10 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.624 2.222 25681
668 1 10 . 1 1 457 457 TRP C C 457 2.500 2.500 175.768 -173.268 25681
669 1 10 . 1 1 457 457 TRP CA C 457 7.107 7.107 58.267 -51.160 25681
670 1 10 . 1 1 458 458 GLU CA C 458 1.155 1.155 54.766 -53.611 25681
671 1 10 . 1 1 458 458 GLU H H 458 1.242 1.242 7.878 -6.636 25681
672 1 10 . 1 1 460 460 PRO HA H 460 1.733 1.733 4.328 -2.595 25681
673 1 10 . 1 1 460 460 PRO CA C 460 1.807 1.807 62.383 -60.576 25681
674 1 10 . 1 1 461 461 GLN N N 461 8.876 8.876 120.414 -111.538 25681
675 1 10 . 1 1 461 461 GLN C C 461 4.192 4.192 177.566 -173.374 25681
676 1 10 . 1 1 461 461 GLN CA C 461 3.933 3.933 58.685 -54.752 25681
677 1 10 . 1 1 461 461 GLN CB C 461 1.843 1.843 27.956 -26.113 25681
678 1 10 . 1 1 462 462 GLU CA C 462 1.056 1.056 57.913 -56.857 25681
679 1 10 . 1 1 462 462 GLU H H 462 1.135 1.135 8.618 -7.483 25681
680 1 10 . 1 1 463 463 LEU CB C 463 7.439 7.439 42.217 -34.778 25681
681 1 11 . 1 1 429 429 ALA HA H 429 4.159 4.159 5.149 -0.990 25681
682 1 11 . 1 1 429 429 ALA H H 429 8.092 8.092 8.340 -0.248 25681
683 1 11 . 1 1 430 430 THR HA H 430 4.095 4.095 4.235 -0.140 25681
684 1 11 . 1 1 430 430 THR H H 430 8.045 8.045 8.199 -0.154 25681
685 1 11 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.344 -0.196 25681
686 1 11 . 1 1 431 431 ALA H H 431 8.170 8.170 8.288 -0.118 25681
687 1 11 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.419 -0.527 25681
688 1 11 . 1 1 432 432 VAL H H 432 8.039 8.039 7.627 0.412 25681
689 1 11 . 1 1 433 433 SER HA H 433 4.294 4.294 4.689 -0.395 25681
690 1 11 . 1 1 433 433 SER H H 433 8.221 8.221 8.751 -0.530 25681
691 1 11 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.233 -0.246 25681
692 1 11 . 1 1 434 434 GLU H H 434 8.644 8.644 8.279 0.365 25681
693 1 11 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.795 0.319 25681
694 1 11 . 1 1 435 435 TRP H H 435 8.059 8.059 7.729 0.330 25681
695 1 11 . 1 1 436 436 THR HA H 436 4.327 4.327 4.532 -0.205 25681
696 1 11 . 1 1 436 436 THR H H 436 9.307 9.307 8.077 1.230 25681
697 1 11 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.716 -0.534 25681
698 1 11 . 1 1 437 437 GLU H H 437 8.375 8.375 8.471 -0.096 25681
699 1 11 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.546 -0.177 25681
700 1 11 . 1 1 438 438 TYR H H 438 8.435 8.435 8.738 -0.303 25681
701 1 11 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.690 -0.436 25681
702 1 11 . 1 1 439 439 LYS H H 439 8.007 8.007 8.434 -0.427 25681
703 1 11 . 1 1 440 440 THR HA H 440 4.594 4.594 4.707 -0.113 25681
704 1 11 . 1 1 440 440 THR H H 440 9.086 9.086 8.393 0.693 25681
705 1 11 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.110 -0.145 25681
706 1 11 . 1 1 441 441 ALA H H 441 9.053 9.053 8.862 0.191 25681
707 1 11 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.556 -0.097 25681
708 1 11 . 1 1 442 442 ASP H H 442 7.879 7.879 8.046 -0.167 25681
709 1 11 . 1 1 443 443 GLY H H 443 7.816 7.816 8.392 -0.576 25681
710 1 11 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.448 -0.091 25681
711 1 11 . 1 1 444 444 LYS H H 444 7.732 7.732 7.672 0.060 25681
712 1 11 . 1 1 445 445 THR HA H 445 4.780 4.780 4.807 -0.027 25681
713 1 11 . 1 1 445 445 THR H H 445 8.542 8.542 8.591 -0.049 25681
714 1 11 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.492 -0.012 25681
715 1 11 . 1 1 446 446 TYR H H 446 8.546 8.546 8.147 0.399 25681
716 1 11 . 1 1 447 447 TYR HA H 447 4.961 4.961 5.011 -0.050 25681
717 1 11 . 1 1 447 447 TYR H H 447 8.684 8.684 9.039 -0.355 25681
718 1 11 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.737 -0.341 25681
719 1 11 . 1 1 448 448 TYR H H 448 9.194 9.194 8.417 0.777 25681
720 1 11 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.794 -0.751 25681
721 1 11 . 1 1 449 449 ASN H H 449 8.054 8.054 7.951 0.103 25681
722 1 11 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.951 -0.970 25681
723 1 11 . 1 1 450 450 ASN H H 450 8.328 8.328 8.805 -0.477 25681
724 1 11 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.465 -0.406 25681
725 1 11 . 1 1 451 451 ARG H H 451 8.219 8.219 9.096 -0.877 25681
726 1 11 . 1 1 452 452 THR HA H 452 3.851 3.851 4.284 -0.433 25681
727 1 11 . 1 1 452 452 THR H H 452 7.646 7.646 7.966 -0.320 25681
728 1 11 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.692 -0.270 25681
729 1 11 . 1 1 453 453 LEU C C 453 1.549 1.549 174.532 -172.983 25681
730 1 11 . 1 1 453 453 LEU H H 453 7.729 7.729 7.073 0.656 25681
731 1 11 . 1 1 455 455 SER C C 455 3.421 3.421 173.741 -170.320 25681
732 1 11 . 1 1 456 456 THR N N 456 2.966 2.966 119.300 -116.334 25681
733 1 11 . 1 1 456 456 THR C C 456 9.917 9.917 174.093 -164.176 25681
734 1 11 . 1 1 457 457 TRP N N 457 6.712 6.712 127.778 -121.066 25681
735 1 11 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.762 2.084 25681
736 1 11 . 1 1 457 457 TRP C C 457 2.500 2.500 176.367 -173.867 25681
737 1 11 . 1 1 457 457 TRP CA C 457 7.107 7.107 57.956 -50.849 25681
738 1 11 . 1 1 458 458 GLU CA C 458 1.155 1.155 54.913 -53.758 25681
739 1 11 . 1 1 458 458 GLU H H 458 1.242 1.242 7.929 -6.687 25681
740 1 11 . 1 1 460 460 PRO HA H 460 1.733 1.733 4.126 -2.393 25681
741 1 11 . 1 1 460 460 PRO CA C 460 1.807 1.807 61.994 -60.187 25681
742 1 11 . 1 1 461 461 GLN N N 461 8.876 8.876 120.026 -111.150 25681
743 1 11 . 1 1 461 461 GLN C C 461 4.192 4.192 177.301 -173.109 25681
744 1 11 . 1 1 461 461 GLN CA C 461 3.933 3.933 58.482 -54.549 25681
745 1 11 . 1 1 461 461 GLN CB C 461 1.843 1.843 28.023 -26.180 25681
746 1 11 . 1 1 462 462 GLU CA C 462 1.056 1.056 57.116 -56.060 25681
747 1 11 . 1 1 462 462 GLU H H 462 1.135 1.135 8.297 -7.162 25681
748 1 11 . 1 1 463 463 LEU CB C 463 7.439 7.439 41.892 -34.453 25681
749 1 12 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.703 -0.544 25681
750 1 12 . 1 1 429 429 ALA H H 429 8.092 8.092 8.225 -0.133 25681
751 1 12 . 1 1 430 430 THR HA H 430 4.095 4.095 4.377 -0.282 25681
752 1 12 . 1 1 430 430 THR H H 430 8.045 8.045 8.852 -0.807 25681
753 1 12 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.457 -0.309 25681
754 1 12 . 1 1 431 431 ALA H H 431 8.170 8.170 8.289 -0.119 25681
755 1 12 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.234 -0.342 25681
756 1 12 . 1 1 432 432 VAL H H 432 8.039 8.039 8.144 -0.105 25681
757 1 12 . 1 1 433 433 SER HA H 433 4.294 4.294 4.716 -0.422 25681
758 1 12 . 1 1 433 433 SER H H 433 8.221 8.221 8.704 -0.483 25681
759 1 12 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.241 -0.254 25681
760 1 12 . 1 1 434 434 GLU H H 434 8.644 8.644 8.328 0.316 25681
761 1 12 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.765 0.349 25681
762 1 12 . 1 1 435 435 TRP H H 435 8.059 8.059 7.961 0.098 25681
763 1 12 . 1 1 436 436 THR HA H 436 4.327 4.327 4.578 -0.251 25681
764 1 12 . 1 1 436 436 THR H H 436 9.307 9.307 8.114 1.193 25681
765 1 12 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.569 -0.387 25681
766 1 12 . 1 1 437 437 GLU H H 437 8.375 8.375 8.401 -0.026 25681
767 1 12 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.571 -0.202 25681
768 1 12 . 1 1 438 438 TYR H H 438 8.435 8.435 8.422 0.013 25681
769 1 12 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.442 -0.188 25681
770 1 12 . 1 1 439 439 LYS H H 439 8.007 8.007 8.324 -0.317 25681
771 1 12 . 1 1 440 440 THR HA H 440 4.594 4.594 4.713 -0.119 25681
772 1 12 . 1 1 440 440 THR H H 440 9.086 9.086 8.510 0.576 25681
773 1 12 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.066 -0.101 25681
774 1 12 . 1 1 441 441 ALA H H 441 9.053 9.053 8.623 0.430 25681
775 1 12 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.533 -0.074 25681
776 1 12 . 1 1 442 442 ASP H H 442 7.879 7.879 7.985 -0.106 25681
777 1 12 . 1 1 443 443 GLY H H 443 7.816 7.816 8.481 -0.665 25681
778 1 12 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.448 -0.091 25681
779 1 12 . 1 1 444 444 LYS H H 444 7.732 7.732 7.732 0.000 25681
780 1 12 . 1 1 445 445 THR HA H 445 4.780 4.780 4.832 -0.052 25681
781 1 12 . 1 1 445 445 THR H H 445 8.542 8.542 8.604 -0.062 25681
782 1 12 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.636 -0.156 25681
783 1 12 . 1 1 446 446 TYR H H 446 8.546 8.546 7.788 0.758 25681
784 1 12 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.872 0.089 25681
785 1 12 . 1 1 447 447 TYR H H 447 8.684 8.684 9.128 -0.444 25681
786 1 12 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.737 -0.341 25681
787 1 12 . 1 1 448 448 TYR H H 448 9.194 9.194 8.292 0.902 25681
788 1 12 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.827 -0.784 25681
789 1 12 . 1 1 449 449 ASN H H 449 8.054 8.054 7.958 0.096 25681
790 1 12 . 1 1 450 450 ASN HA H 450 3.981 3.981 5.039 -1.058 25681
791 1 12 . 1 1 450 450 ASN H H 450 8.328 8.328 9.043 -0.715 25681
792 1 12 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.546 -0.487 25681
793 1 12 . 1 1 451 451 ARG H H 451 8.219 8.219 9.095 -0.876 25681
794 1 12 . 1 1 452 452 THR HA H 452 3.851 3.851 4.291 -0.440 25681
795 1 12 . 1 1 452 452 THR H H 452 7.646 7.646 7.659 -0.013 25681
796 1 12 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.656 -0.234 25681
797 1 12 . 1 1 453 453 LEU C C 453 1.549 1.549 174.699 -173.150 25681
798 1 12 . 1 1 453 453 LEU H H 453 7.729 7.729 7.130 0.600 25681
799 1 12 . 1 1 455 455 SER C C 455 3.421 3.421 173.582 -170.161 25681
800 1 12 . 1 1 456 456 THR N N 456 2.966 2.966 118.811 -115.845 25681
801 1 12 . 1 1 456 456 THR C C 456 9.917 9.917 174.540 -164.623 25681
802 1 12 . 1 1 457 457 TRP N N 457 6.712 6.712 127.585 -120.873 25681
803 1 12 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.856 1.990 25681
804 1 12 . 1 1 457 457 TRP C C 457 2.500 2.500 176.177 -173.677 25681
805 1 12 . 1 1 457 457 TRP CA C 457 7.107 7.107 57.642 -50.535 25681
806 1 12 . 1 1 458 458 GLU CA C 458 1.155 1.155 54.494 -53.339 25681
807 1 12 . 1 1 458 458 GLU H H 458 1.242 1.242 7.892 -6.650 25681
808 1 12 . 1 1 460 460 PRO HA H 460 1.733 1.733 4.347 -2.614 25681
809 1 12 . 1 1 460 460 PRO CA C 460 1.807 1.807 61.916 -60.109 25681
810 1 12 . 1 1 461 461 GLN N N 461 8.876 8.876 120.872 -111.996 25681
811 1 12 . 1 1 461 461 GLN C C 461 4.192 4.192 177.182 -172.990 25681
812 1 12 . 1 1 461 461 GLN CA C 461 3.933 3.933 58.809 -54.876 25681
813 1 12 . 1 1 461 461 GLN CB C 461 1.843 1.843 28.073 -26.230 25681
814 1 12 . 1 1 462 462 GLU CA C 462 1.056 1.056 57.791 -56.735 25681
815 1 12 . 1 1 462 462 GLU H H 462 1.135 1.135 8.262 -7.127 25681
816 1 12 . 1 1 463 463 LEU CB C 463 7.439 7.439 42.429 -34.990 25681
817 1 13 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.356 -0.197 25681
818 1 13 . 1 1 429 429 ALA H H 429 8.092 8.092 8.256 -0.164 25681
819 1 13 . 1 1 430 430 THR HA H 430 4.095 4.095 4.468 -0.373 25681
820 1 13 . 1 1 430 430 THR H H 430 8.045 8.045 7.828 0.217 25681
821 1 13 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.517 -0.369 25681
822 1 13 . 1 1 431 431 ALA H H 431 8.170 8.170 8.566 -0.396 25681
823 1 13 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.277 -0.385 25681
824 1 13 . 1 1 432 432 VAL H H 432 8.039 8.039 7.823 0.216 25681
825 1 13 . 1 1 433 433 SER HA H 433 4.294 4.294 4.507 -0.213 25681
826 1 13 . 1 1 433 433 SER H H 433 8.221 8.221 8.190 0.031 25681
827 1 13 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.260 -0.273 25681
828 1 13 . 1 1 434 434 GLU H H 434 8.644 8.644 8.589 0.055 25681
829 1 13 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.738 0.376 25681
830 1 13 . 1 1 435 435 TRP H H 435 8.059 8.059 7.425 0.634 25681
831 1 13 . 1 1 436 436 THR HA H 436 4.327 4.327 4.539 -0.212 25681
832 1 13 . 1 1 436 436 THR H H 436 9.307 9.307 8.071 1.236 25681
833 1 13 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.565 -0.383 25681
834 1 13 . 1 1 437 437 GLU H H 437 8.375 8.375 8.511 -0.136 25681
835 1 13 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.596 -0.227 25681
836 1 13 . 1 1 438 438 TYR H H 438 8.435 8.435 8.304 0.131 25681
837 1 13 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.721 -0.467 25681
838 1 13 . 1 1 439 439 LYS H H 439 8.007 8.007 8.321 -0.314 25681
839 1 13 . 1 1 440 440 THR HA H 440 4.594 4.594 4.652 -0.058 25681
840 1 13 . 1 1 440 440 THR H H 440 9.086 9.086 8.331 0.755 25681
841 1 13 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.064 -0.099 25681
842 1 13 . 1 1 441 441 ALA H H 441 9.053 9.053 8.709 0.344 25681
843 1 13 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.552 -0.093 25681
844 1 13 . 1 1 442 442 ASP H H 442 7.879 7.879 8.048 -0.169 25681
845 1 13 . 1 1 443 443 GLY H H 443 7.816 7.816 8.496 -0.680 25681
846 1 13 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.398 -0.041 25681
847 1 13 . 1 1 444 444 LYS H H 444 7.732 7.732 7.728 0.004 25681
848 1 13 . 1 1 445 445 THR HA H 445 4.780 4.780 4.729 0.051 25681
849 1 13 . 1 1 445 445 THR H H 445 8.542 8.542 8.553 -0.011 25681
850 1 13 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.486 -0.006 25681
851 1 13 . 1 1 446 446 TYR H H 446 8.546 8.546 7.820 0.726 25681
852 1 13 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.912 0.049 25681
853 1 13 . 1 1 447 447 TYR H H 447 8.684 8.684 9.046 -0.362 25681
854 1 13 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.613 -0.217 25681
855 1 13 . 1 1 448 448 TYR H H 448 9.194 9.194 7.959 1.235 25681
856 1 13 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.716 -0.673 25681
857 1 13 . 1 1 449 449 ASN H H 449 8.054 8.054 7.744 0.310 25681
858 1 13 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.919 -0.938 25681
859 1 13 . 1 1 450 450 ASN H H 450 8.328 8.328 8.857 -0.529 25681
860 1 13 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.374 -0.315 25681
861 1 13 . 1 1 451 451 ARG H H 451 8.219 8.219 8.871 -0.652 25681
862 1 13 . 1 1 452 452 THR HA H 452 3.851 3.851 4.241 -0.390 25681
863 1 13 . 1 1 452 452 THR H H 452 7.646 7.646 8.182 -0.536 25681
864 1 13 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.636 -0.214 25681
865 1 13 . 1 1 453 453 LEU C C 453 1.549 1.549 174.626 -173.077 25681
866 1 13 . 1 1 453 453 LEU H H 453 7.729 7.729 7.091 0.638 25681
867 1 13 . 1 1 455 455 SER C C 455 3.421 3.421 173.775 -170.354 25681
868 1 13 . 1 1 456 456 THR N N 456 2.966 2.966 119.396 -116.430 25681
869 1 13 . 1 1 456 456 THR C C 456 9.917 9.917 174.122 -164.205 25681
870 1 13 . 1 1 457 457 TRP N N 457 6.712 6.712 127.881 -121.169 25681
871 1 13 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.796 2.050 25681
872 1 13 . 1 1 457 457 TRP C C 457 2.500 2.500 176.411 -173.911 25681
873 1 13 . 1 1 457 457 TRP CA C 457 7.107 7.107 57.529 -50.422 25681
874 1 13 . 1 1 458 458 GLU CA C 458 1.155 1.155 54.916 -53.761 25681
875 1 13 . 1 1 458 458 GLU H H 458 1.242 1.242 7.740 -6.498 25681
876 1 13 . 1 1 460 460 PRO HA H 460 1.733 1.733 4.420 -2.688 25681
877 1 13 . 1 1 460 460 PRO CA C 460 1.807 1.807 62.074 -60.267 25681
878 1 13 . 1 1 461 461 GLN N N 461 8.876 8.876 118.263 -109.387 25681
879 1 13 . 1 1 461 461 GLN C C 461 4.192 4.192 175.990 -171.798 25681
880 1 13 . 1 1 461 461 GLN CA C 461 3.933 3.933 57.597 -53.664 25681
881 1 13 . 1 1 461 461 GLN CB C 461 1.843 1.843 28.101 -26.258 25681
882 1 13 . 1 1 462 462 GLU CA C 462 1.056 1.056 56.772 -55.716 25681
883 1 13 . 1 1 462 462 GLU H H 462 1.135 1.135 8.022 -6.887 25681
884 1 13 . 1 1 463 463 LEU CB C 463 7.439 7.439 42.161 -34.722 25681
885 1 14 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.841 -0.682 25681
886 1 14 . 1 1 429 429 ALA H H 429 8.092 8.092 7.870 0.222 25681
887 1 14 . 1 1 430 430 THR HA H 430 4.095 4.095 4.230 -0.135 25681
888 1 14 . 1 1 430 430 THR H H 430 8.045 8.045 8.582 -0.537 25681
889 1 14 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.452 -0.304 25681
890 1 14 . 1 1 431 431 ALA H H 431 8.170 8.170 7.553 0.617 25681
891 1 14 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.395 -0.503 25681
892 1 14 . 1 1 432 432 VAL H H 432 8.039 8.039 8.541 -0.502 25681
893 1 14 . 1 1 433 433 SER HA H 433 4.294 4.294 4.643 -0.349 25681
894 1 14 . 1 1 433 433 SER H H 433 8.221 8.221 8.506 -0.285 25681
895 1 14 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.140 -0.153 25681
896 1 14 . 1 1 434 434 GLU H H 434 8.644 8.644 8.150 0.494 25681
897 1 14 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.725 0.389 25681
898 1 14 . 1 1 435 435 TRP H H 435 8.059 8.059 7.521 0.538 25681
899 1 14 . 1 1 436 436 THR HA H 436 4.327 4.327 4.539 -0.212 25681
900 1 14 . 1 1 436 436 THR H H 436 9.307 9.307 8.073 1.234 25681
901 1 14 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.607 -0.425 25681
902 1 14 . 1 1 437 437 GLU H H 437 8.375 8.375 8.417 -0.042 25681
903 1 14 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.548 -0.179 25681
904 1 14 . 1 1 438 438 TYR H H 438 8.435 8.435 8.582 -0.147 25681
905 1 14 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.627 -0.373 25681
906 1 14 . 1 1 439 439 LYS H H 439 8.007 8.007 8.366 -0.359 25681
907 1 14 . 1 1 440 440 THR HA H 440 4.594 4.594 4.745 -0.151 25681
908 1 14 . 1 1 440 440 THR H H 440 9.086 9.086 8.449 0.637 25681
909 1 14 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.109 -0.144 25681
910 1 14 . 1 1 441 441 ALA H H 441 9.053 9.053 8.861 0.192 25681
911 1 14 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.571 -0.112 25681
912 1 14 . 1 1 442 442 ASP H H 442 7.879 7.879 8.012 -0.133 25681
913 1 14 . 1 1 443 443 GLY H H 443 7.816 7.816 8.390 -0.574 25681
914 1 14 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.427 -0.070 25681
915 1 14 . 1 1 444 444 LYS H H 444 7.732 7.732 7.722 0.010 25681
916 1 14 . 1 1 445 445 THR HA H 445 4.780 4.780 4.794 -0.014 25681
917 1 14 . 1 1 445 445 THR H H 445 8.542 8.542 8.556 -0.014 25681
918 1 14 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.748 -0.268 25681
919 1 14 . 1 1 446 446 TYR H H 446 8.546 8.546 7.923 0.623 25681
920 1 14 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.955 0.006 25681
921 1 14 . 1 1 447 447 TYR H H 447 8.684 8.684 9.030 -0.346 25681
922 1 14 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.765 -0.369 25681
923 1 14 . 1 1 448 448 TYR H H 448 9.194 9.194 8.298 0.896 25681
924 1 14 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.777 -0.734 25681
925 1 14 . 1 1 449 449 ASN H H 449 8.054 8.054 7.904 0.150 25681
926 1 14 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.972 -0.991 25681
927 1 14 . 1 1 450 450 ASN H H 450 8.328 8.328 8.601 -0.273 25681
928 1 14 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.574 -0.515 25681
929 1 14 . 1 1 451 451 ARG H H 451 8.219 8.219 9.038 -0.819 25681
930 1 14 . 1 1 452 452 THR HA H 452 3.851 3.851 4.265 -0.414 25681
931 1 14 . 1 1 452 452 THR H H 452 7.646 7.646 7.455 0.191 25681
932 1 14 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.580 -0.158 25681
933 1 14 . 1 1 453 453 LEU C C 453 1.549 1.549 174.791 -173.242 25681
934 1 14 . 1 1 453 453 LEU H H 453 7.729 7.729 7.205 0.524 25681
935 1 14 . 1 1 455 455 SER C C 455 3.421 3.421 173.674 -170.253 25681
936 1 14 . 1 1 456 456 THR N N 456 2.966 2.966 118.781 -115.815 25681
937 1 14 . 1 1 456 456 THR C C 456 9.917 9.917 174.445 -164.528 25681
938 1 14 . 1 1 457 457 TRP N N 457 6.712 6.712 127.400 -120.688 25681
939 1 14 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.878 1.968 25681
940 1 14 . 1 1 457 457 TRP C C 457 2.500 2.500 176.321 -173.821 25681
941 1 14 . 1 1 457 457 TRP CA C 457 7.107 7.107 57.314 -50.207 25681
942 1 14 . 1 1 458 458 GLU CA C 458 1.155 1.155 54.376 -53.221 25681
943 1 14 . 1 1 458 458 GLU H H 458 1.242 1.242 7.892 -6.650 25681
944 1 14 . 1 1 460 460 PRO HA H 460 1.733 1.733 4.124 -2.391 25681
945 1 14 . 1 1 460 460 PRO CA C 460 1.807 1.807 62.627 -60.820 25681
946 1 14 . 1 1 461 461 GLN N N 461 8.876 8.876 121.925 -113.049 25681
947 1 14 . 1 1 461 461 GLN C C 461 4.192 4.192 176.140 -171.948 25681
948 1 14 . 1 1 461 461 GLN CA C 461 3.933 3.933 58.202 -54.269 25681
949 1 14 . 1 1 461 461 GLN CB C 461 1.843 1.843 28.289 -26.446 25681
950 1 14 . 1 1 462 462 GLU CA C 462 1.056 1.056 56.551 -55.495 25681
951 1 14 . 1 1 462 462 GLU H H 462 1.135 1.135 8.312 -7.177 25681
952 1 14 . 1 1 463 463 LEU CB C 463 7.439 7.439 43.230 -35.791 25681
953 1 15 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.710 -0.551 25681
954 1 15 . 1 1 429 429 ALA H H 429 8.092 8.092 8.210 -0.118 25681
955 1 15 . 1 1 430 430 THR HA H 430 4.095 4.095 4.272 -0.177 25681
956 1 15 . 1 1 430 430 THR H H 430 8.045 8.045 8.530 -0.485 25681
957 1 15 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.647 -0.499 25681
958 1 15 . 1 1 431 431 ALA H H 431 8.170 8.170 7.853 0.317 25681
959 1 15 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.225 -0.333 25681
960 1 15 . 1 1 432 432 VAL H H 432 8.039 8.039 8.264 -0.225 25681
961 1 15 . 1 1 433 433 SER HA H 433 4.294 4.294 4.654 -0.360 25681
962 1 15 . 1 1 433 433 SER H H 433 8.221 8.221 8.621 -0.400 25681
963 1 15 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.256 -0.269 25681
964 1 15 . 1 1 434 434 GLU H H 434 8.644 8.644 8.327 0.317 25681
965 1 15 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.721 0.393 25681
966 1 15 . 1 1 435 435 TRP H H 435 8.059 8.059 7.920 0.139 25681
967 1 15 . 1 1 436 436 THR HA H 436 4.327 4.327 4.517 -0.190 25681
968 1 15 . 1 1 436 436 THR H H 436 9.307 9.307 8.078 1.229 25681
969 1 15 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.474 -0.292 25681
970 1 15 . 1 1 437 437 GLU H H 437 8.375 8.375 8.748 -0.373 25681
971 1 15 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.582 -0.213 25681
972 1 15 . 1 1 438 438 TYR H H 438 8.435 8.435 8.303 0.132 25681
973 1 15 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.705 -0.451 25681
974 1 15 . 1 1 439 439 LYS H H 439 8.007 8.007 8.360 -0.353 25681
975 1 15 . 1 1 440 440 THR HA H 440 4.594 4.594 4.669 -0.075 25681
976 1 15 . 1 1 440 440 THR H H 440 9.086 9.086 8.516 0.570 25681
977 1 15 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.092 -0.127 25681
978 1 15 . 1 1 441 441 ALA H H 441 9.053 9.053 8.856 0.197 25681
979 1 15 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.597 -0.138 25681
980 1 15 . 1 1 442 442 ASP H H 442 7.879 7.879 8.022 -0.143 25681
981 1 15 . 1 1 443 443 GLY H H 443 7.816 7.816 8.294 -0.478 25681
982 1 15 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.388 -0.031 25681
983 1 15 . 1 1 444 444 LYS H H 444 7.732 7.732 8.176 -0.444 25681
984 1 15 . 1 1 445 445 THR HA H 445 4.780 4.780 4.832 -0.052 25681
985 1 15 . 1 1 445 445 THR H H 445 8.542 8.542 8.481 0.061 25681
986 1 15 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.587 -0.107 25681
987 1 15 . 1 1 446 446 TYR H H 446 8.546 8.546 7.826 0.720 25681
988 1 15 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.850 0.111 25681
989 1 15 . 1 1 447 447 TYR H H 447 8.684 8.684 8.906 -0.222 25681
990 1 15 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.798 -0.402 25681
991 1 15 . 1 1 448 448 TYR H H 448 9.194 9.194 9.101 0.093 25681
992 1 15 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.855 -0.812 25681
993 1 15 . 1 1 449 449 ASN H H 449 8.054 8.054 7.914 0.140 25681
994 1 15 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.980 -0.999 25681
995 1 15 . 1 1 450 450 ASN H H 450 8.328 8.328 8.881 -0.553 25681
996 1 15 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.601 -0.542 25681
997 1 15 . 1 1 451 451 ARG H H 451 8.219 8.219 9.040 -0.821 25681
998 1 15 . 1 1 452 452 THR HA H 452 3.851 3.851 4.291 -0.440 25681
999 1 15 . 1 1 452 452 THR H H 452 7.646 7.646 7.681 -0.035 25681
1000 1 15 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.610 -0.188 25681
1001 1 15 . 1 1 453 453 LEU C C 453 1.549 1.549 174.598 -173.049 25681
1002 1 15 . 1 1 453 453 LEU H H 453 7.729 7.729 7.086 0.643 25681
1003 1 15 . 1 1 455 455 SER C C 455 3.421 3.421 173.742 -170.321 25681
1004 1 15 . 1 1 456 456 THR N N 456 2.966 2.966 119.557 -116.591 25681
1005 1 15 . 1 1 456 456 THR C C 456 9.917 9.917 173.842 -163.925 25681
1006 1 15 . 1 1 457 457 TRP N N 457 6.712 6.712 127.642 -120.930 25681
1007 1 15 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.795 2.051 25681
1008 1 15 . 1 1 457 457 TRP C C 457 2.500 2.500 175.986 -173.486 25681
1009 1 15 . 1 1 457 457 TRP CA C 457 7.107 7.107 57.279 -50.172 25681
1010 1 15 . 1 1 458 458 GLU CA C 458 1.155 1.155 55.239 -54.084 25681
1011 1 15 . 1 1 458 458 GLU H H 458 1.242 1.242 7.852 -6.610 25681
1012 1 15 . 1 1 460 460 PRO HA H 460 1.733 1.733 4.272 -2.539 25681
1013 1 15 . 1 1 460 460 PRO CA C 460 1.807 1.807 62.115 -60.308 25681
1014 1 15 . 1 1 461 461 GLN N N 461 8.876 8.876 120.636 -111.760 25681
1015 1 15 . 1 1 461 461 GLN C C 461 4.192 4.192 177.391 -173.199 25681
1016 1 15 . 1 1 461 461 GLN CA C 461 3.933 3.933 58.652 -54.719 25681
1017 1 15 . 1 1 461 461 GLN CB C 461 1.843 1.843 28.199 -26.356 25681
1018 1 15 . 1 1 462 462 GLU CA C 462 1.056 1.056 57.073 -56.017 25681
1019 1 15 . 1 1 462 462 GLU H H 462 1.135 1.135 8.496 -7.361 25681
1020 1 15 . 1 1 463 463 LEU CB C 463 7.439 7.439 42.449 -35.010 25681
1021 1 16 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.601 -0.442 25681
1022 1 16 . 1 1 429 429 ALA H H 429 8.092 8.092 8.058 0.034 25681
1023 1 16 . 1 1 430 430 THR HA H 430 4.095 4.095 4.113 -0.018 25681
1024 1 16 . 1 1 430 430 THR H H 430 8.045 8.045 8.114 -0.069 25681
1025 1 16 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.166 -0.018 25681
1026 1 16 . 1 1 431 431 ALA H H 431 8.170 8.170 8.402 -0.232 25681
1027 1 16 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.379 -0.487 25681
1028 1 16 . 1 1 432 432 VAL H H 432 8.039 8.039 7.997 0.042 25681
1029 1 16 . 1 1 433 433 SER HA H 433 4.294 4.294 4.637 -0.343 25681
1030 1 16 . 1 1 433 433 SER H H 433 8.221 8.221 8.540 -0.319 25681
1031 1 16 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.183 -0.196 25681
1032 1 16 . 1 1 434 434 GLU H H 434 8.644 8.644 8.345 0.299 25681
1033 1 16 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.697 0.417 25681
1034 1 16 . 1 1 435 435 TRP H H 435 8.059 8.059 7.896 0.163 25681
1035 1 16 . 1 1 436 436 THR HA H 436 4.327 4.327 4.486 -0.159 25681
1036 1 16 . 1 1 436 436 THR H H 436 9.307 9.307 8.057 1.250 25681
1037 1 16 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.590 -0.408 25681
1038 1 16 . 1 1 437 437 GLU H H 437 8.375 8.375 8.480 -0.105 25681
1039 1 16 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.587 -0.218 25681
1040 1 16 . 1 1 438 438 TYR H H 438 8.435 8.435 8.542 -0.107 25681
1041 1 16 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.717 -0.463 25681
1042 1 16 . 1 1 439 439 LYS H H 439 8.007 8.007 8.475 -0.468 25681
1043 1 16 . 1 1 440 440 THR HA H 440 4.594 4.594 4.731 -0.137 25681
1044 1 16 . 1 1 440 440 THR H H 440 9.086 9.086 8.537 0.549 25681
1045 1 16 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.142 -0.177 25681
1046 1 16 . 1 1 441 441 ALA H H 441 9.053 9.053 8.849 0.204 25681
1047 1 16 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.573 -0.114 25681
1048 1 16 . 1 1 442 442 ASP H H 442 7.879 7.879 8.030 -0.151 25681
1049 1 16 . 1 1 443 443 GLY H H 443 7.816 7.816 8.341 -0.525 25681
1050 1 16 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.561 -0.204 25681
1051 1 16 . 1 1 444 444 LYS H H 444 7.732 7.732 7.758 -0.026 25681
1052 1 16 . 1 1 445 445 THR HA H 445 4.780 4.780 4.680 0.100 25681
1053 1 16 . 1 1 445 445 THR H H 445 8.542 8.542 8.718 -0.176 25681
1054 1 16 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.596 -0.116 25681
1055 1 16 . 1 1 446 446 TYR H H 446 8.546 8.546 7.972 0.574 25681
1056 1 16 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.958 0.003 25681
1057 1 16 . 1 1 447 447 TYR H H 447 8.684 8.684 9.024 -0.340 25681
1058 1 16 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.754 -0.358 25681
1059 1 16 . 1 1 448 448 TYR H H 448 9.194 9.194 8.501 0.693 25681
1060 1 16 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.691 -0.648 25681
1061 1 16 . 1 1 449 449 ASN H H 449 8.054 8.054 7.843 0.211 25681
1062 1 16 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.910 -0.929 25681
1063 1 16 . 1 1 450 450 ASN H H 450 8.328 8.328 8.546 -0.218 25681
1064 1 16 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.620 -0.561 25681
1065 1 16 . 1 1 451 451 ARG H H 451 8.219 8.219 8.927 -0.708 25681
1066 1 16 . 1 1 452 452 THR HA H 452 3.851 3.851 4.295 -0.444 25681
1067 1 16 . 1 1 452 452 THR H H 452 7.646 7.646 7.795 -0.149 25681
1068 1 16 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.654 -0.232 25681
1069 1 16 . 1 1 453 453 LEU C C 453 1.549 1.549 174.541 -172.992 25681
1070 1 16 . 1 1 453 453 LEU H H 453 7.729 7.729 7.081 0.648 25681
1071 1 16 . 1 1 455 455 SER C C 455 3.421 3.421 173.829 -170.408 25681
1072 1 16 . 1 1 456 456 THR N N 456 2.966 2.966 119.470 -116.504 25681
1073 1 16 . 1 1 456 456 THR C C 456 9.917 9.917 174.200 -164.283 25681
1074 1 16 . 1 1 457 457 TRP N N 457 6.712 6.712 128.011 -121.299 25681
1075 1 16 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.748 2.098 25681
1076 1 16 . 1 1 457 457 TRP C C 457 2.500 2.500 176.292 -173.792 25681
1077 1 16 . 1 1 457 457 TRP CA C 457 7.107 7.107 57.892 -50.785 25681
1078 1 16 . 1 1 458 458 GLU CA C 458 1.155 1.155 55.188 -54.033 25681
1079 1 16 . 1 1 458 458 GLU H H 458 1.242 1.242 7.818 -6.576 25681
1080 1 16 . 1 1 460 460 PRO HA H 460 1.733 1.733 4.416 -2.683 25681
1081 1 16 . 1 1 460 460 PRO CA C 460 1.807 1.807 61.957 -60.150 25681
1082 1 16 . 1 1 461 461 GLN N N 461 8.876 8.876 117.315 -108.439 25681
1083 1 16 . 1 1 461 461 GLN C C 461 4.192 4.192 176.065 -171.873 25681
1084 1 16 . 1 1 461 461 GLN CA C 461 3.933 3.933 58.266 -54.333 25681
1085 1 16 . 1 1 461 461 GLN CB C 461 1.843 1.843 28.082 -26.239 25681
1086 1 16 . 1 1 462 462 GLU CA C 462 1.056 1.056 56.209 -55.153 25681
1087 1 16 . 1 1 462 462 GLU H H 462 1.135 1.135 7.789 -6.654 25681
1088 1 16 . 1 1 463 463 LEU CB C 463 7.439 7.439 42.835 -35.396 25681
1089 1 17 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.649 -0.490 25681
1090 1 17 . 1 1 429 429 ALA H H 429 8.092 8.092 8.244 -0.152 25681
1091 1 17 . 1 1 430 430 THR HA H 430 4.095 4.095 3.978 0.117 25681
1092 1 17 . 1 1 430 430 THR H H 430 8.045 8.045 8.007 0.038 25681
1093 1 17 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.337 -0.189 25681
1094 1 17 . 1 1 431 431 ALA H H 431 8.170 8.170 8.234 -0.064 25681
1095 1 17 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.363 -0.471 25681
1096 1 17 . 1 1 432 432 VAL H H 432 8.039 8.039 7.747 0.292 25681
1097 1 17 . 1 1 433 433 SER HA H 433 4.294 4.294 4.608 -0.314 25681
1098 1 17 . 1 1 433 433 SER H H 433 8.221 8.221 8.640 -0.419 25681
1099 1 17 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.163 -0.176 25681
1100 1 17 . 1 1 434 434 GLU H H 434 8.644 8.644 8.378 0.266 25681
1101 1 17 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.736 0.378 25681
1102 1 17 . 1 1 435 435 TRP H H 435 8.059 8.059 7.934 0.125 25681
1103 1 17 . 1 1 436 436 THR HA H 436 4.327 4.327 4.505 -0.178 25681
1104 1 17 . 1 1 436 436 THR H H 436 9.307 9.307 8.135 1.172 25681
1105 1 17 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.592 -0.410 25681
1106 1 17 . 1 1 437 437 GLU H H 437 8.375 8.375 8.430 -0.055 25681
1107 1 17 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.553 -0.184 25681
1108 1 17 . 1 1 438 438 TYR H H 438 8.435 8.435 8.534 -0.099 25681
1109 1 17 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.596 -0.342 25681
1110 1 17 . 1 1 439 439 LYS H H 439 8.007 8.007 8.307 -0.300 25681
1111 1 17 . 1 1 440 440 THR HA H 440 4.594 4.594 4.628 -0.034 25681
1112 1 17 . 1 1 440 440 THR H H 440 9.086 9.086 8.352 0.734 25681
1113 1 17 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.092 -0.127 25681
1114 1 17 . 1 1 441 441 ALA H H 441 9.053 9.053 8.691 0.362 25681
1115 1 17 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.576 -0.117 25681
1116 1 17 . 1 1 442 442 ASP H H 442 7.879 7.879 7.986 -0.107 25681
1117 1 17 . 1 1 443 443 GLY H H 443 7.816 7.816 8.436 -0.620 25681
1118 1 17 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.417 -0.060 25681
1119 1 17 . 1 1 444 444 LYS H H 444 7.732 7.732 7.768 -0.036 25681
1120 1 17 . 1 1 445 445 THR HA H 445 4.780 4.780 4.598 0.182 25681
1121 1 17 . 1 1 445 445 THR H H 445 8.542 8.542 8.378 0.164 25681
1122 1 17 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.510 -0.030 25681
1123 1 17 . 1 1 446 446 TYR H H 446 8.546 8.546 7.598 0.948 25681
1124 1 17 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.972 -0.011 25681
1125 1 17 . 1 1 447 447 TYR H H 447 8.684 8.684 9.114 -0.430 25681
1126 1 17 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.714 -0.318 25681
1127 1 17 . 1 1 448 448 TYR H H 448 9.194 9.194 8.316 0.878 25681
1128 1 17 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.818 -0.775 25681
1129 1 17 . 1 1 449 449 ASN H H 449 8.054 8.054 7.880 0.174 25681
1130 1 17 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.969 -0.988 25681
1131 1 17 . 1 1 450 450 ASN H H 450 8.328 8.328 8.909 -0.581 25681
1132 1 17 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.534 -0.475 25681
1133 1 17 . 1 1 451 451 ARG H H 451 8.219 8.219 8.998 -0.779 25681
1134 1 17 . 1 1 452 452 THR HA H 452 3.851 3.851 4.259 -0.408 25681
1135 1 17 . 1 1 452 452 THR H H 452 7.646 7.646 7.718 -0.072 25681
1136 1 17 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.555 -0.133 25681
1137 1 17 . 1 1 453 453 LEU C C 453 1.549 1.549 174.734 -173.185 25681
1138 1 17 . 1 1 453 453 LEU H H 453 7.729 7.729 7.017 0.712 25681
1139 1 17 . 1 1 455 455 SER C C 455 3.421 3.421 173.799 -170.378 25681
1140 1 17 . 1 1 456 456 THR N N 456 2.966 2.966 119.295 -116.329 25681
1141 1 17 . 1 1 456 456 THR C C 456 9.917 9.917 174.186 -164.269 25681
1142 1 17 . 1 1 457 457 TRP N N 457 6.712 6.712 127.776 -121.064 25681
1143 1 17 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.828 2.018 25681
1144 1 17 . 1 1 457 457 TRP C C 457 2.500 2.500 176.325 -173.825 25681
1145 1 17 . 1 1 457 457 TRP CA C 457 7.107 7.107 58.144 -51.037 25681
1146 1 17 . 1 1 458 458 GLU CA C 458 1.155 1.155 54.958 -53.803 25681
1147 1 17 . 1 1 458 458 GLU H H 458 1.242 1.242 7.798 -6.556 25681
1148 1 17 . 1 1 460 460 PRO HA H 460 1.733 1.733 4.427 -2.694 25681
1149 1 17 . 1 1 460 460 PRO CA C 460 1.807 1.807 62.009 -60.202 25681
1150 1 17 . 1 1 461 461 GLN N N 461 8.876 8.876 118.758 -109.882 25681
1151 1 17 . 1 1 461 461 GLN C C 461 4.192 4.192 177.061 -172.869 25681
1152 1 17 . 1 1 461 461 GLN CA C 461 3.933 3.933 58.657 -54.724 25681
1153 1 17 . 1 1 461 461 GLN CB C 461 1.843 1.843 28.004 -26.161 25681
1154 1 17 . 1 1 462 462 GLU CA C 462 1.056 1.056 57.980 -56.924 25681
1155 1 17 . 1 1 462 462 GLU H H 462 1.135 1.135 8.565 -7.430 25681
1156 1 17 . 1 1 463 463 LEU CB C 463 7.439 7.439 41.976 -34.537 25681
1157 1 18 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.764 -0.605 25681
1158 1 18 . 1 1 429 429 ALA H H 429 8.092 8.092 8.231 -0.139 25681
1159 1 18 . 1 1 430 430 THR HA H 430 4.095 4.095 4.420 -0.325 25681
1160 1 18 . 1 1 430 430 THR H H 430 8.045 8.045 8.408 -0.363 25681
1161 1 18 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.438 -0.290 25681
1162 1 18 . 1 1 431 431 ALA H H 431 8.170 8.170 8.512 -0.342 25681
1163 1 18 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.376 -0.484 25681
1164 1 18 . 1 1 432 432 VAL H H 432 8.039 8.039 7.710 0.329 25681
1165 1 18 . 1 1 433 433 SER HA H 433 4.294 4.294 4.633 -0.339 25681
1166 1 18 . 1 1 433 433 SER H H 433 8.221 8.221 8.562 -0.341 25681
1167 1 18 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.154 -0.167 25681
1168 1 18 . 1 1 434 434 GLU H H 434 8.644 8.644 8.246 0.398 25681
1169 1 18 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.739 0.375 25681
1170 1 18 . 1 1 435 435 TRP H H 435 8.059 8.059 7.584 0.475 25681
1171 1 18 . 1 1 436 436 THR HA H 436 4.327 4.327 4.484 -0.157 25681
1172 1 18 . 1 1 436 436 THR H H 436 9.307 9.307 8.020 1.287 25681
1173 1 18 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.522 -0.340 25681
1174 1 18 . 1 1 437 437 GLU H H 437 8.375 8.375 8.323 0.052 25681
1175 1 18 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.518 -0.148 25681
1176 1 18 . 1 1 438 438 TYR H H 438 8.435 8.435 7.786 0.649 25681
1177 1 18 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.715 -0.461 25681
1178 1 18 . 1 1 439 439 LYS H H 439 8.007 8.007 8.384 -0.377 25681
1179 1 18 . 1 1 440 440 THR HA H 440 4.594 4.594 4.750 -0.156 25681
1180 1 18 . 1 1 440 440 THR H H 440 9.086 9.086 8.569 0.517 25681
1181 1 18 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.204 -0.239 25681
1182 1 18 . 1 1 441 441 ALA H H 441 9.053 9.053 8.702 0.351 25681
1183 1 18 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.586 -0.127 25681
1184 1 18 . 1 1 442 442 ASP H H 442 7.879 7.879 7.916 -0.037 25681
1185 1 18 . 1 1 443 443 GLY H H 443 7.816 7.816 8.354 -0.538 25681
1186 1 18 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.518 -0.161 25681
1187 1 18 . 1 1 444 444 LYS H H 444 7.732 7.732 7.813 -0.081 25681
1188 1 18 . 1 1 445 445 THR HA H 445 4.780 4.780 4.934 -0.154 25681
1189 1 18 . 1 1 445 445 THR H H 445 8.542 8.542 8.747 -0.205 25681
1190 1 18 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.606 -0.126 25681
1191 1 18 . 1 1 446 446 TYR H H 446 8.546 8.546 8.125 0.421 25681
1192 1 18 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.918 0.043 25681
1193 1 18 . 1 1 447 447 TYR H H 447 8.684 8.684 9.175 -0.491 25681
1194 1 18 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.850 -0.454 25681
1195 1 18 . 1 1 448 448 TYR H H 448 9.194 9.194 8.656 0.538 25681
1196 1 18 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.797 -0.754 25681
1197 1 18 . 1 1 449 449 ASN H H 449 8.054 8.054 7.889 0.165 25681
1198 1 18 . 1 1 450 450 ASN HA H 450 3.981 3.981 5.004 -1.023 25681
1199 1 18 . 1 1 450 450 ASN H H 450 8.328 8.328 8.520 -0.192 25681
1200 1 18 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.594 -0.535 25681
1201 1 18 . 1 1 451 451 ARG H H 451 8.219 8.219 8.949 -0.730 25681
1202 1 18 . 1 1 452 452 THR HA H 452 3.851 3.851 4.305 -0.454 25681
1203 1 18 . 1 1 452 452 THR H H 452 7.646 7.646 7.612 0.034 25681
1204 1 18 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.664 -0.242 25681
1205 1 18 . 1 1 453 453 LEU C C 453 1.549 1.549 174.579 -173.030 25681
1206 1 18 . 1 1 453 453 LEU H H 453 7.729 7.729 7.140 0.589 25681
1207 1 18 . 1 1 455 455 SER C C 455 3.421 3.421 173.896 -170.475 25681
1208 1 18 . 1 1 456 456 THR N N 456 2.966 2.966 119.445 -116.479 25681
1209 1 18 . 1 1 456 456 THR C C 456 9.917 9.917 174.480 -164.563 25681
1210 1 18 . 1 1 457 457 TRP N N 457 6.712 6.712 127.158 -120.446 25681
1211 1 18 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.855 1.991 25681
1212 1 18 . 1 1 457 457 TRP C C 457 2.500 2.500 176.279 -173.779 25681
1213 1 18 . 1 1 457 457 TRP CA C 457 7.107 7.107 57.851 -50.744 25681
1214 1 18 . 1 1 458 458 GLU CA C 458 1.155 1.155 54.899 -53.744 25681
1215 1 18 . 1 1 458 458 GLU H H 458 1.242 1.242 7.690 -6.448 25681
1216 1 18 . 1 1 460 460 PRO HA H 460 1.733 1.733 4.031 -2.298 25681
1217 1 18 . 1 1 460 460 PRO CA C 460 1.807 1.807 62.495 -60.688 25681
1218 1 18 . 1 1 461 461 GLN N N 461 8.876 8.876 121.568 -112.692 25681
1219 1 18 . 1 1 461 461 GLN C C 461 4.192 4.192 176.456 -172.264 25681
1220 1 18 . 1 1 461 461 GLN CA C 461 3.933 3.933 58.208 -54.275 25681
1221 1 18 . 1 1 461 461 GLN CB C 461 1.843 1.843 28.177 -26.334 25681
1222 1 18 . 1 1 462 462 GLU CA C 462 1.056 1.056 57.594 -56.538 25681
1223 1 18 . 1 1 462 462 GLU H H 462 1.135 1.135 8.300 -7.165 25681
1224 1 18 . 1 1 463 463 LEU CB C 463 7.439 7.439 42.848 -35.409 25681
1225 1 19 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.705 -0.546 25681
1226 1 19 . 1 1 429 429 ALA H H 429 8.092 8.092 8.240 -0.148 25681
1227 1 19 . 1 1 430 430 THR HA H 430 4.095 4.095 4.058 0.037 25681
1228 1 19 . 1 1 430 430 THR H H 430 8.045 8.045 7.873 0.172 25681
1229 1 19 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.106 0.042 25681
1230 1 19 . 1 1 431 431 ALA H H 431 8.170 8.170 8.319 -0.149 25681
1231 1 19 . 1 1 432 432 VAL HA H 432 3.892 3.892 3.887 0.005 25681
1232 1 19 . 1 1 432 432 VAL H H 432 8.039 8.039 7.668 0.371 25681
1233 1 19 . 1 1 433 433 SER HA H 433 4.294 4.294 4.761 -0.467 25681
1234 1 19 . 1 1 433 433 SER H H 433 8.221 8.221 8.588 -0.367 25681
1235 1 19 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.175 -0.188 25681
1236 1 19 . 1 1 434 434 GLU H H 434 8.644 8.644 8.167 0.477 25681
1237 1 19 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.775 0.339 25681
1238 1 19 . 1 1 435 435 TRP H H 435 8.059 8.059 7.786 0.273 25681
1239 1 19 . 1 1 436 436 THR HA H 436 4.327 4.327 4.528 -0.201 25681
1240 1 19 . 1 1 436 436 THR H H 436 9.307 9.307 8.053 1.254 25681
1241 1 19 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.584 -0.402 25681
1242 1 19 . 1 1 437 437 GLU H H 437 8.375 8.375 8.477 -0.102 25681
1243 1 19 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.571 -0.202 25681
1244 1 19 . 1 1 438 438 TYR H H 438 8.435 8.435 8.395 0.040 25681
1245 1 19 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.546 -0.292 25681
1246 1 19 . 1 1 439 439 LYS H H 439 8.007 8.007 8.490 -0.483 25681
1247 1 19 . 1 1 440 440 THR HA H 440 4.594 4.594 4.716 -0.122 25681
1248 1 19 . 1 1 440 440 THR H H 440 9.086 9.086 8.661 0.425 25681
1249 1 19 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.193 -0.228 25681
1250 1 19 . 1 1 441 441 ALA H H 441 9.053 9.053 8.680 0.373 25681
1251 1 19 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.573 -0.114 25681
1252 1 19 . 1 1 442 442 ASP H H 442 7.879 7.879 7.880 -0.001 25681
1253 1 19 . 1 1 443 443 GLY H H 443 7.816 7.816 8.533 -0.717 25681
1254 1 19 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.517 -0.160 25681
1255 1 19 . 1 1 444 444 LYS H H 444 7.732 7.732 7.746 -0.014 25681
1256 1 19 . 1 1 445 445 THR HA H 445 4.780 4.780 4.777 0.003 25681
1257 1 19 . 1 1 445 445 THR H H 445 8.542 8.542 8.296 0.246 25681
1258 1 19 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.287 0.193 25681
1259 1 19 . 1 1 446 446 TYR H H 446 8.546 8.546 7.599 0.947 25681
1260 1 19 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.960 0.001 25681
1261 1 19 . 1 1 447 447 TYR H H 447 8.684 8.684 9.034 -0.350 25681
1262 1 19 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.576 -0.180 25681
1263 1 19 . 1 1 448 448 TYR H H 448 9.194 9.194 8.099 1.095 25681
1264 1 19 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.793 -0.750 25681
1265 1 19 . 1 1 449 449 ASN H H 449 8.054 8.054 7.776 0.278 25681
1266 1 19 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.982 -1.001 25681
1267 1 19 . 1 1 450 450 ASN H H 450 8.328 8.328 8.869 -0.541 25681
1268 1 19 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.473 -0.414 25681
1269 1 19 . 1 1 451 451 ARG H H 451 8.219 8.219 9.126 -0.907 25681
1270 1 19 . 1 1 452 452 THR HA H 452 3.851 3.851 4.198 -0.347 25681
1271 1 19 . 1 1 452 452 THR H H 452 7.646 7.646 7.981 -0.335 25681
1272 1 19 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.810 -0.388 25681
1273 1 19 . 1 1 453 453 LEU C C 453 1.549 1.549 174.590 -173.041 25681
1274 1 19 . 1 1 453 453 LEU H H 453 7.729 7.729 7.262 0.467 25681
1275 1 19 . 1 1 455 455 SER C C 455 3.421 3.421 173.689 -170.268 25681
1276 1 19 . 1 1 456 456 THR N N 456 2.966 2.966 119.485 -116.519 25681
1277 1 19 . 1 1 456 456 THR C C 456 9.917 9.917 174.124 -164.207 25681
1278 1 19 . 1 1 457 457 TRP N N 457 6.712 6.712 127.989 -121.277 25681
1279 1 19 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.824 2.022 25681
1280 1 19 . 1 1 457 457 TRP C C 457 2.500 2.500 176.180 -173.680 25681
1281 1 19 . 1 1 457 457 TRP CA C 457 7.107 7.107 57.795 -50.688 25681
1282 1 19 . 1 1 458 458 GLU CA C 458 1.155 1.155 54.873 -53.718 25681
1283 1 19 . 1 1 458 458 GLU H H 458 1.242 1.242 7.826 -6.584 25681
1284 1 19 . 1 1 460 460 PRO HA H 460 1.733 1.733 4.390 -2.657 25681
1285 1 19 . 1 1 460 460 PRO CA C 460 1.807 1.807 62.011 -60.203 25681
1286 1 19 . 1 1 461 461 GLN N N 461 8.876 8.876 120.515 -111.639 25681
1287 1 19 . 1 1 461 461 GLN C C 461 4.192 4.192 177.662 -173.470 25681
1288 1 19 . 1 1 461 461 GLN CA C 461 3.933 3.933 59.033 -55.100 25681
1289 1 19 . 1 1 461 461 GLN CB C 461 1.843 1.843 28.130 -26.287 25681
1290 1 19 . 1 1 462 462 GLU CA C 462 1.056 1.056 57.925 -56.869 25681
1291 1 19 . 1 1 462 462 GLU H H 462 1.135 1.135 8.380 -7.245 25681
1292 1 19 . 1 1 463 463 LEU CB C 463 7.439 7.439 42.406 -34.967 25681
1293 1 20 . 1 1 429 429 ALA HA H 429 4.159 4.159 4.559 -0.400 25681
1294 1 20 . 1 1 429 429 ALA H H 429 8.092 8.092 8.240 -0.148 25681
1295 1 20 . 1 1 430 430 THR HA H 430 4.095 4.095 4.075 0.020 25681
1296 1 20 . 1 1 430 430 THR H H 430 8.045 8.045 8.303 -0.258 25681
1297 1 20 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.566 -0.418 25681
1298 1 20 . 1 1 431 431 ALA H H 431 8.170 8.170 8.190 -0.020 25681
1299 1 20 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.404 -0.512 25681
1300 1 20 . 1 1 432 432 VAL H H 432 8.039 8.039 8.299 -0.260 25681
1301 1 20 . 1 1 433 433 SER HA H 433 4.294 4.294 4.616 -0.322 25681
1302 1 20 . 1 1 433 433 SER H H 433 8.221 8.221 8.597 -0.376 25681
1303 1 20 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.241 -0.254 25681
1304 1 20 . 1 1 434 434 GLU H H 434 8.644 8.644 8.541 0.103 25681
1305 1 20 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.760 0.354 25681
1306 1 20 . 1 1 435 435 TRP H H 435 8.059 8.059 7.930 0.129 25681
1307 1 20 . 1 1 436 436 THR HA H 436 4.327 4.327 4.539 -0.212 25681
1308 1 20 . 1 1 436 436 THR H H 436 9.307 9.307 8.088 1.219 25681
1309 1 20 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.560 -0.378 25681
1310 1 20 . 1 1 437 437 GLU H H 437 8.375 8.375 8.395 -0.020 25681
1311 1 20 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.577 -0.208 25681
1312 1 20 . 1 1 438 438 TYR H H 438 8.435 8.435 8.480 -0.045 25681
1313 1 20 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.726 -0.472 25681
1314 1 20 . 1 1 439 439 LYS H H 439 8.007 8.007 8.414 -0.407 25681
1315 1 20 . 1 1 440 440 THR HA H 440 4.594 4.594 4.713 -0.119 25681
1316 1 20 . 1 1 440 440 THR H H 440 9.086 9.086 8.431 0.655 25681
1317 1 20 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.109 -0.144 25681
1318 1 20 . 1 1 441 441 ALA H H 441 9.053 9.053 8.753 0.300 25681
1319 1 20 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.584 -0.125 25681
1320 1 20 . 1 1 442 442 ASP H H 442 7.879 7.879 8.008 -0.129 25681
1321 1 20 . 1 1 443 443 GLY H H 443 7.816 7.816 8.294 -0.478 25681
1322 1 20 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.458 -0.101 25681
1323 1 20 . 1 1 444 444 LYS H H 444 7.732 7.732 8.199 -0.467 25681
1324 1 20 . 1 1 445 445 THR HA H 445 4.780 4.780 4.872 -0.092 25681
1325 1 20 . 1 1 445 445 THR H H 445 8.542 8.542 8.718 -0.176 25681
1326 1 20 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.760 -0.280 25681
1327 1 20 . 1 1 446 446 TYR H H 446 8.546 8.546 7.999 0.547 25681
1328 1 20 . 1 1 447 447 TYR HA H 447 4.961 4.961 5.036 -0.075 25681
1329 1 20 . 1 1 447 447 TYR H H 447 8.684 8.684 9.098 -0.414 25681
1330 1 20 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.687 -0.291 25681
1331 1 20 . 1 1 448 448 TYR H H 448 9.194 9.194 8.296 0.898 25681
1332 1 20 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.839 -0.796 25681
1333 1 20 . 1 1 449 449 ASN H H 449 8.054 8.054 7.935 0.119 25681
1334 1 20 . 1 1 450 450 ASN HA H 450 3.981 3.981 5.052 -1.071 25681
1335 1 20 . 1 1 450 450 ASN H H 450 8.328 8.328 8.822 -0.494 25681
1336 1 20 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.553 -0.494 25681
1337 1 20 . 1 1 451 451 ARG H H 451 8.219 8.219 9.086 -0.867 25681
1338 1 20 . 1 1 452 452 THR HA H 452 3.851 3.851 4.312 -0.461 25681
1339 1 20 . 1 1 452 452 THR H H 452 7.646 7.646 7.691 -0.045 25681
1340 1 20 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.719 -0.297 25681
1341 1 20 . 1 1 453 453 LEU C C 453 1.549 1.549 174.550 -173.001 25681
1342 1 20 . 1 1 453 453 LEU H H 453 7.729 7.729 7.151 0.578 25681
1343 1 20 . 1 1 455 455 SER C C 455 3.421 3.421 173.574 -170.153 25681
1344 1 20 . 1 1 456 456 THR N N 456 2.966 2.966 119.039 -116.073 25681
1345 1 20 . 1 1 456 456 THR C C 456 9.917 9.917 174.524 -164.607 25681
1346 1 20 . 1 1 457 457 TRP N N 457 6.712 6.712 127.719 -121.007 25681
1347 1 20 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.836 2.010 25681
1348 1 20 . 1 1 457 457 TRP C C 457 2.500 2.500 176.375 -173.875 25681
1349 1 20 . 1 1 457 457 TRP CA C 457 7.107 7.107 57.632 -50.525 25681
1350 1 20 . 1 1 458 458 GLU CA C 458 1.155 1.155 54.857 -53.702 25681
1351 1 20 . 1 1 458 458 GLU H H 458 1.242 1.242 7.882 -6.640 25681
1352 1 20 . 1 1 460 460 PRO HA H 460 1.733 1.733 4.159 -2.426 25681
1353 1 20 . 1 1 460 460 PRO CA C 460 1.807 1.807 62.322 -60.515 25681
1354 1 20 . 1 1 461 461 GLN N N 461 8.876 8.876 119.766 -110.890 25681
1355 1 20 . 1 1 461 461 GLN C C 461 4.192 4.192 177.471 -173.279 25681
1356 1 20 . 1 1 461 461 GLN CA C 461 3.933 3.933 58.613 -54.680 25681
1357 1 20 . 1 1 461 461 GLN CB C 461 1.843 1.843 28.339 -26.496 25681
1358 1 20 . 1 1 462 462 GLU CA C 462 1.056 1.056 57.731 -56.675 25681
1359 1 20 . 1 1 462 462 GLU H H 462 1.135 1.135 8.246 -7.111 25681
1360 1 20 . 1 1 463 463 LEU CB C 463 7.439 7.439 41.703 -34.264 25681
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 3 116.118 116.047 4.986 25681
2 1 1 "Average Difference" HA 28 0.699 0.237 0.670 25681
3 1 1 "Average Difference" C 5 171.017 170.981 3.927 25681
4 1 1 "Average Difference" CA 5 55.161 55.061 3.699 25681
5 1 1 "Average Difference" CB 2 30.868 30.568 6.075 25681
6 1 1 "Average Difference" HN 27 1.943 0.484 1.918 25681
7 1 2 "Average Difference" N 3 116.051 115.972 5.263 25681
8 1 2 "Average Difference" HA 28 0.697 0.207 0.678 25681
9 1 2 "Average Difference" C 5 170.772 170.740 3.713 25681
10 1 2 "Average Difference" CA 5 55.124 55.018 3.836 25681
11 1 2 "Average Difference" CB 2 30.612 30.300 6.167 25681
12 1 2 "Average Difference" HN 27 1.907 0.460 1.886 25681
13 1 3 "Average Difference" N 3 115.770 115.689 5.295 25681
14 1 3 "Average Difference" HA 28 0.716 0.240 0.687 25681
15 1 3 "Average Difference" C 5 170.702 170.664 4.047 25681
16 1 3 "Average Difference" CA 5 54.969 54.866 3.762 25681
17 1 3 "Average Difference" CB 2 30.983 30.644 6.467 25681
18 1 3 "Average Difference" HN 27 1.916 0.468 1.893 25681
19 1 4 "Average Difference" N 3 116.911 116.873 3.645 25681
20 1 4 "Average Difference" HA 28 0.678 0.234 0.648 25681
21 1 4 "Average Difference" C 5 171.035 171.003 3.721 25681
22 1 4 "Average Difference" CA 5 55.432 55.332 3.728 25681
23 1 4 "Average Difference" CB 2 31.229 30.942 5.968 25681
24 1 4 "Average Difference" HN 27 1.919 0.479 1.894 25681
25 1 5 "Average Difference" N 3 115.283 115.194 5.553 25681
26 1 5 "Average Difference" HA 28 0.721 0.230 0.696 25681
27 1 5 "Average Difference" C 5 170.964 170.931 3.776 25681
28 1 5 "Average Difference" CA 5 55.050 54.958 3.549 25681
29 1 5 "Average Difference" CB 2 30.657 30.370 5.911 25681
30 1 5 "Average Difference" HN 27 1.939 0.465 1.918 25681
31 1 6 "Average Difference" N 3 115.561 115.479 5.346 25681
32 1 6 "Average Difference" HA 28 0.736 0.270 0.698 25681
33 1 6 "Average Difference" C 5 171.029 170.994 3.879 25681
34 1 6 "Average Difference" CA 5 55.152 55.051 3.725 25681
35 1 6 "Average Difference" CB 2 30.998 30.674 6.323 25681
36 1 6 "Average Difference" HN 27 1.965 0.506 1.935 25681
37 1 7 "Average Difference" N 3 115.633 115.541 5.637 25681
38 1 7 "Average Difference" HA 28 0.723 0.228 0.699 25681
39 1 7 "Average Difference" C 5 171.034 171.001 3.770 25681
40 1 7 "Average Difference" CA 5 55.275 55.181 3.610 25681
41 1 7 "Average Difference" CB 2 30.755 30.428 6.325 25681
42 1 7 "Average Difference" HN 27 1.929 0.477 1.905 25681
43 1 8 "Average Difference" N 3 115.594 115.517 5.146 25681
44 1 8 "Average Difference" HA 28 0.725 0.230 0.700 25681
45 1 8 "Average Difference" C 5 170.898 170.862 3.925 25681
46 1 8 "Average Difference" CA 5 54.994 54.894 3.705 25681
47 1 8 "Average Difference" CB 2 30.768 30.453 6.203 25681
48 1 8 "Average Difference" HN 27 1.975 0.507 1.945 25681
49 1 9 "Average Difference" N 3 116.523 116.486 3.561 25681
50 1 9 "Average Difference" HA 28 0.686 0.261 0.646 25681
51 1 9 "Average Difference" C 5 170.739 170.707 3.698 25681
52 1 9 "Average Difference" CA 5 55.010 54.902 3.852 25681
53 1 9 "Average Difference" CB 2 30.984 30.631 6.600 25681
54 1 9 "Average Difference" HN 27 1.896 0.486 1.867 25681
55 1 10 "Average Difference" N 3 116.268 116.220 4.065 25681
56 1 10 "Average Difference" HA 28 0.731 0.187 0.720 25681
57 1 10 "Average Difference" C 5 170.981 170.947 3.840 25681
58 1 10 "Average Difference" CA 5 55.482 55.391 3.554 25681
59 1 10 "Average Difference" CB 2 30.752 30.445 6.127 25681
60 1 10 "Average Difference" HN 27 1.983 0.549 1.941 25681
61 1 11 "Average Difference" N 3 116.254 116.183 4.960 25681
62 1 11 "Average Difference" HA 28 0.720 0.266 0.681 25681
63 1 11 "Average Difference" C 5 170.928 170.891 3.987 25681
64 1 11 "Average Difference" CA 5 55.166 55.081 3.427 25681
65 1 11 "Average Difference" CB 2 30.597 30.316 5.850 25681
66 1 11 "Average Difference" HN 27 1.943 0.494 1.915 25681
67 1 12 "Average Difference" N 3 116.295 116.238 4.452 25681
68 1 12 "Average Difference" HA 28 0.722 0.256 0.687 25681
69 1 12 "Average Difference" C 5 170.954 170.920 3.778 25681
70 1 12 "Average Difference" CA 5 55.213 55.119 3.597 25681
71 1 12 "Average Difference" CB 2 30.922 30.610 6.195 25681
72 1 12 "Average Difference" HN 27 1.942 0.506 1.910 25681
73 1 13 "Average Difference" N 3 115.763 115.662 5.928 25681
74 1 13 "Average Difference" HA 28 0.719 0.222 0.696 25681
75 1 13 "Average Difference" C 5 170.704 170.669 3.856 25681
76 1 13 "Average Difference" CA 5 54.861 54.766 3.614 25681
77 1 13 "Average Difference" CB 2 30.782 30.490 5.985 25681
78 1 13 "Average Difference" HN 27 1.894 0.400 1.887 25681
79 1 14 "Average Difference" N 3 116.560 116.517 3.868 25681
80 1 14 "Average Difference" HA 28 0.695 0.256 0.658 25681
81 1 14 "Average Difference" C 5 170.791 170.758 3.743 25681
82 1 14 "Average Difference" CA 5 54.913 54.802 3.892 25681
83 1 14 "Average Difference" CB 2 31.467 31.119 6.608 25681
84 1 14 "Average Difference" HN 27 1.945 0.427 1.934 25681
85 1 15 "Average Difference" N 3 116.487 116.427 4.587 25681
86 1 15 "Average Difference" HA 28 0.723 0.255 0.689 25681
87 1 15 "Average Difference" C 5 170.834 170.796 4.047 25681
88 1 15 "Average Difference" CA 5 55.157 55.060 3.654 25681
89 1 15 "Average Difference" CB 2 30.987 30.683 6.119 25681
90 1 15 "Average Difference" HN 27 1.955 0.521 1.920 25681
91 1 16 "Average Difference" N 3 115.536 115.414 6.499 25681
92 1 16 "Average Difference" HA 28 0.734 0.232 0.709 25681
93 1 16 "Average Difference" C 5 170.703 170.670 3.790 25681
94 1 16 "Average Difference" CA 5 54.974 54.891 3.378 25681
95 1 16 "Average Difference" CB 2 31.156 30.818 6.475 25681
96 1 16 "Average Difference" HN 27 1.848 0.450 1.827 25681
97 1 17 "Average Difference" N 3 115.849 115.758 5.613 25681
98 1 17 "Average Difference" HA 28 0.726 0.218 0.706 25681
99 1 17 "Average Difference" C 5 170.941 170.905 3.934 25681
100 1 17 "Average Difference" CA 5 55.424 55.338 3.442 25681
101 1 17 "Average Difference" CB 2 30.637 30.349 5.923 25681
102 1 17 "Average Difference" HN 27 1.967 0.438 1.954 25681
103 1 18 "Average Difference" N 3 116.582 116.539 3.877 25681
104 1 18 "Average Difference" HA 28 0.692 0.267 0.650 25681
105 1 18 "Average Difference" C 5 170.854 170.822 3.708 25681
106 1 18 "Average Difference" CA 5 55.297 55.198 3.699 25681
107 1 18 "Average Difference" CB 2 31.203 30.871 6.417 25681
108 1 18 "Average Difference" HN 27 1.909 0.431 1.895 25681
109 1 19 "Average Difference" N 3 116.545 116.478 4.819 25681
110 1 19 "Average Difference" HA 28 0.719 0.209 0.701 25681
111 1 19 "Average Difference" C 5 170.971 170.933 4.003 25681
112 1 19 "Average Difference" CA 5 55.407 55.316 3.547 25681
113 1 19 "Average Difference" CB 2 30.932 30.626 6.138 25681
114 1 19 "Average Difference" HN 27 1.953 0.427 1.942 25681
115 1 20 "Average Difference" N 3 116.064 115.990 5.059 25681
116 1 20 "Average Difference" HA 28 0.707 0.268 0.666 25681
117 1 20 "Average Difference" C 5 171.018 170.983 3.842 25681
118 1 20 "Average Difference" CA 5 55.318 55.219 3.701 25681
119 1 20 "Average Difference" CB 2 30.627 30.380 5.492 25681
120 1 20 "Average Difference" HN 27 1.927 0.511 1.893 25681
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 25681
_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 1 429 429 ALA HA H 429 4.159 4.159 4.593 -0.434 25681
2 1 . 1 1 429 429 ALA H H 429 8.092 8.092 8.226 -0.134 25681
3 1 . 1 1 430 430 THR HA H 430 4.095 4.095 4.225 -0.130 25681
4 1 . 1 1 430 430 THR H H 430 8.045 8.045 8.333 -0.288 25681
5 1 . 1 1 431 431 ALA HA H 431 4.148 4.148 4.415 -0.267 25681
6 1 . 1 1 431 431 ALA H H 431 8.170 8.170 8.203 -0.033 25681
7 1 . 1 1 432 432 VAL HA H 432 3.892 3.892 4.341 -0.449 25681
8 1 . 1 1 432 432 VAL H H 432 8.039 8.039 8.101 -0.062 25681
9 1 . 1 1 433 433 SER HA H 433 4.294 4.294 4.600 -0.306 25681
10 1 . 1 1 433 433 SER H H 433 8.221 8.221 8.581 -0.360 25681
11 1 . 1 1 434 434 GLU HA H 434 3.987 3.987 4.216 -0.229 25681
12 1 . 1 1 434 434 GLU H H 434 8.644 8.644 8.357 0.287 25681
13 1 . 1 1 435 435 TRP HA H 435 5.114 5.114 4.727 0.387 25681
14 1 . 1 1 435 435 TRP H H 435 8.059 8.059 7.729 0.330 25681
15 1 . 1 1 436 436 THR HA H 436 4.327 4.327 4.518 -0.191 25681
16 1 . 1 1 436 436 THR H H 436 9.307 9.307 8.077 1.230 25681
17 1 . 1 1 437 437 GLU HA H 437 4.182 4.182 4.569 -0.387 25681
18 1 . 1 1 437 437 GLU H H 437 8.375 8.375 8.488 -0.113 25681
19 1 . 1 1 438 438 TYR HA H 438 4.369 4.369 4.569 -0.200 25681
20 1 . 1 1 438 438 TYR H H 438 8.435 8.435 8.447 -0.012 25681
21 1 . 1 1 439 439 LYS HA H 439 5.254 5.254 5.607 -0.353 25681
22 1 . 1 1 439 439 LYS H H 439 8.007 8.007 8.392 -0.385 25681
23 1 . 1 1 440 440 THR HA H 440 4.594 4.594 4.691 -0.097 25681
24 1 . 1 1 440 440 THR H H 440 9.086 9.086 8.508 0.578 25681
25 1 . 1 1 441 441 ALA HA H 441 3.965 3.965 4.128 -0.163 25681
26 1 . 1 1 441 441 ALA H H 441 9.053 9.053 8.749 0.304 25681
27 1 . 1 1 442 442 ASP HA H 442 4.459 4.459 4.576 -0.117 25681
28 1 . 1 1 442 442 ASP H H 442 7.879 7.879 7.996 -0.117 25681
29 1 . 1 1 443 443 GLY H H 443 7.816 7.816 8.387 -0.571 25681
30 1 . 1 1 444 444 LYS HA H 444 4.357 4.357 4.451 -0.094 25681
31 1 . 1 1 444 444 LYS H H 444 7.732 7.732 7.942 -0.210 25681
32 1 . 1 1 445 445 THR HA H 445 4.780 4.780 4.817 -0.037 25681
33 1 . 1 1 445 445 THR H H 445 8.542 8.542 8.535 0.007 25681
34 1 . 1 1 446 446 TYR HA H 446 4.480 4.480 4.566 -0.086 25681
35 1 . 1 1 446 446 TYR H H 446 8.546 8.546 7.858 0.688 25681
36 1 . 1 1 447 447 TYR HA H 447 4.961 4.961 4.964 -0.003 25681
37 1 . 1 1 447 447 TYR H H 447 8.684 8.684 9.059 -0.375 25681
38 1 . 1 1 448 448 TYR HA H 448 5.396 5.396 5.745 -0.349 25681
39 1 . 1 1 448 448 TYR H H 448 9.194 9.194 8.420 0.774 25681
40 1 . 1 1 449 449 ASN HA H 449 4.043 4.043 4.781 -0.738 25681
41 1 . 1 1 449 449 ASN H H 449 8.054 8.054 7.875 0.179 25681
42 1 . 1 1 450 450 ASN HA H 450 3.981 3.981 4.970 -0.990 25681
43 1 . 1 1 450 450 ASN H H 450 8.328 8.328 8.796 -0.468 25681
44 1 . 1 1 451 451 ARG HA H 451 4.059 4.059 4.527 -0.468 25681
45 1 . 1 1 451 451 ARG H H 451 8.219 8.219 9.037 -0.818 25681
46 1 . 1 1 452 452 THR HA H 452 3.851 3.851 4.267 -0.416 25681
47 1 . 1 1 452 452 THR H H 452 7.646 7.646 7.749 -0.103 25681
48 1 . 1 1 453 453 LEU HA H 453 3.422 3.422 3.646 -0.224 25681
49 1 . 1 1 453 453 LEU C C 453 1.549 1.549 174.651 -173.102 25681
50 1 . 1 1 453 453 LEU H H 453 7.729 7.729 7.121 0.608 25681
51 1 . 1 1 455 455 SER C C 455 3.421 3.421 173.767 -170.346 25681
52 1 . 1 1 456 456 THR N N 456 2.966 2.966 119.300 -116.334 25681
53 1 . 1 1 456 456 THR C C 456 9.917 9.917 174.302 -164.385 25681
54 1 . 1 1 457 457 TRP N N 457 6.712 6.712 127.426 -120.714 25681
55 1 . 1 1 457 457 TRP HA H 457 6.846 6.846 4.812 2.034 25681
56 1 . 1 1 457 457 TRP C C 457 2.500 2.500 176.244 -173.744 25681
57 1 . 1 1 457 457 TRP CA C 457 7.107 7.107 57.665 -50.558 25681
58 1 . 1 1 458 458 GLU CA C 458 1.155 1.155 54.867 -53.712 25681
59 1 . 1 1 458 458 GLU H H 458 1.242 1.242 7.816 -6.574 25681
60 1 . 1 1 460 460 PRO HA H 460 1.733 1.733 4.263 -2.530 25681
61 1 . 1 1 460 460 PRO CA C 460 1.807 1.807 62.288 -60.481 25681
62 1 . 1 1 461 461 GLN N N 461 8.876 8.876 119.862 -110.986 25681
63 1 . 1 1 461 461 GLN C C 461 4.192 4.192 176.909 -172.717 25681
64 1 . 1 1 461 461 GLN CA C 461 3.933 3.933 58.467 -54.534 25681
65 1 . 1 1 461 461 GLN CB C 461 1.843 1.843 28.067 -26.224 25681
66 1 . 1 1 462 462 GLU CA C 462 1.056 1.056 57.132 -56.076 25681
67 1 . 1 1 462 462 GLU H H 462 1.135 1.135 8.306 -7.171 25681
68 1 . 1 1 463 463 LEU CB C 463 7.439 7.439 42.387 -34.948 25681
stop_
save_