data_25595
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25595
_Entry.PDB_ID 2N2C
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 25595
_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 1 308 308 GLY N N 308 109.290 109.290 110.043 -0.753 25595
2 1 1 . 1 1 308 308 GLY CA C 308 45.570 45.570 45.410 0.160 25595
3 1 1 . 1 1 308 308 GLY H H 308 8.430 8.430 8.405 0.025 25595
4 1 1 . 1 1 309 309 GLY N N 309 108.720 108.720 109.740 -1.020 25595
5 1 1 . 1 1 309 309 GLY CA C 309 45.590 45.590 45.535 0.055 25595
6 1 1 . 1 1 309 309 GLY H H 309 8.310 8.310 7.453 0.857 25595
7 1 1 . 1 1 310 310 GLY N N 310 107.760 107.760 107.433 0.327 25595
8 1 1 . 1 1 310 310 GLY CA C 310 45.290 45.290 44.756 0.534 25595
9 1 1 . 1 1 310 310 GLY H H 310 7.980 7.980 8.352 -0.372 25595
10 1 1 . 1 1 311 311 MET N N 311 119.520 119.520 115.913 3.607 25595
11 1 1 . 1 1 311 311 MET HA H 311 4.470 4.470 3.896 0.574 25595
12 1 1 . 1 1 311 311 MET CA C 311 55.560 55.560 57.023 -1.463 25595
13 1 1 . 1 1 311 311 MET CB C 311 33.820 33.820 30.260 3.560 25595
14 1 1 . 1 1 311 311 MET H H 311 8.370 8.370 8.270 0.100 25595
15 1 1 . 1 1 312 312 ASN N N 312 120.200 120.200 118.252 1.948 25595
16 1 1 . 1 1 312 312 ASN HA H 312 4.880 4.880 4.427 0.453 25595
17 1 1 . 1 1 312 312 ASN CA C 312 52.900 52.900 55.495 -2.595 25595
18 1 1 . 1 1 312 312 ASN CB C 312 39.490 39.490 38.882 0.608 25595
19 1 1 . 1 1 312 312 ASN H H 312 8.360 8.360 7.919 0.441 25595
20 1 1 . 1 1 313 313 PHE N N 313 121.510 121.510 117.631 3.879 25595
21 1 1 . 1 1 313 313 PHE HA H 313 4.620 4.620 4.874 -0.254 25595
22 1 1 . 1 1 313 313 PHE CA C 313 58.470 58.470 57.742 0.728 25595
23 1 1 . 1 1 313 313 PHE CB C 313 39.650 39.650 40.089 -0.438 25595
24 1 1 . 1 1 313 313 PHE H H 313 8.540 8.540 7.564 0.976 25595
25 1 1 . 1 1 314 314 GLY N N 314 108.900 108.900 109.324 -0.424 25595
26 1 1 . 1 1 314 314 GLY CA C 314 46.440 46.440 46.596 -0.156 25595
27 1 1 . 1 1 314 314 GLY H H 314 8.510 8.510 8.483 0.027 25595
28 1 1 . 1 1 315 315 ALA N N 315 123.790 123.790 122.831 0.959 25595
29 1 1 . 1 1 315 315 ALA HA H 315 4.340 4.340 4.485 -0.145 25595
30 1 1 . 1 1 315 315 ALA CA C 315 52.770 52.770 54.005 -1.236 25595
31 1 1 . 1 1 315 315 ALA CB C 315 19.320 19.320 19.435 -0.115 25595
32 1 1 . 1 1 315 315 ALA H H 315 8.130 8.130 8.162 -0.032 25595
33 1 1 . 1 1 316 316 PHE N N 316 116.810 116.810 117.002 -0.192 25595
34 1 1 . 1 1 316 316 PHE HA H 316 4.710 4.710 4.660 0.050 25595
35 1 1 . 1 1 316 316 PHE CA C 316 57.560 57.560 59.681 -2.121 25595
36 1 1 . 1 1 316 316 PHE CB C 316 40.270 40.270 40.069 0.201 25595
37 1 1 . 1 1 316 316 PHE H H 316 7.820 7.820 8.193 -0.373 25595
38 1 1 . 1 1 317 317 SER N N 317 116.500 116.500 117.103 -0.603 25595
39 1 1 . 1 1 317 317 SER HA H 317 4.730 4.730 4.479 0.251 25595
40 1 1 . 1 1 317 317 SER CA C 317 57.760 57.760 60.500 -2.740 25595
41 1 1 . 1 1 317 317 SER CB C 317 64.700 64.700 61.965 2.735 25595
42 1 1 . 1 1 317 317 SER H H 317 8.130 8.130 9.074 -0.944 25595
43 1 1 . 1 1 318 318 ILE N N 318 121.180 121.180 118.164 3.016 25595
44 1 1 . 1 1 318 318 ILE HA H 318 4.410 4.410 4.197 0.213 25595
45 1 1 . 1 1 318 318 ILE CA C 318 60.370 60.370 62.071 -1.701 25595
46 1 1 . 1 1 318 318 ILE CB C 318 39.080 39.080 40.196 -1.116 25595
47 1 1 . 1 1 318 318 ILE H H 318 8.290 8.290 7.778 0.512 25595
48 1 1 . 1 1 319 319 ASN N N 319 124.880 124.880 117.432 7.448 25595
49 1 1 . 1 1 319 319 ASN HA H 319 5.010 5.010 5.050 -0.040 25595
50 1 1 . 1 1 319 319 ASN CA C 319 52.060 52.060 51.155 0.905 25595
51 1 1 . 1 1 319 319 ASN CB C 319 38.990 38.990 41.700 -2.711 25595
52 1 1 . 1 1 319 319 ASN H H 319 8.160 8.160 7.595 0.565 25595
53 1 1 . 1 1 320 320 PRO CA C 320 65.960 65.960 63.698 2.262 25595
54 1 1 . 1 1 320 320 PRO CB C 320 32.250 32.250 30.581 1.669 25595
55 1 1 . 1 1 321 321 ALA N N 321 121.040 121.040 128.996 -7.956 25595
56 1 1 . 1 1 321 321 ALA HA H 321 4.340 4.340 3.714 0.626 25595
57 1 1 . 1 1 321 321 ALA CA C 321 55.290 55.290 54.859 0.431 25595
58 1 1 . 1 1 321 321 ALA CB C 321 18.340 18.340 17.125 1.215 25595
59 1 1 . 1 1 321 321 ALA H H 321 8.300 8.300 8.883 -0.583 25595
60 1 1 . 1 1 322 322 MET CA C 322 58.490 58.490 58.894 -0.404 25595
61 1 1 . 1 1 322 322 MET CB C 322 33.030 33.030 32.400 0.630 25595
62 1 1 . 1 1 323 323 MET N N 323 117.800 117.800 117.552 0.248 25595
63 1 1 . 1 1 323 323 MET HA H 323 4.250 4.250 4.268 -0.018 25595
64 1 1 . 1 1 323 323 MET CA C 323 58.660 58.660 57.657 1.003 25595
65 1 1 . 1 1 323 323 MET CB C 323 32.290 32.290 31.770 0.520 25595
66 1 1 . 1 1 323 323 MET H H 323 7.910 7.910 7.792 0.118 25595
67 1 1 . 1 1 324 324 ALA N N 324 121.020 121.020 122.571 -1.551 25595
68 1 1 . 1 1 324 324 ALA HA H 324 4.230 4.230 4.024 0.206 25595
69 1 1 . 1 1 324 324 ALA CA C 324 55.140 55.140 55.172 -0.032 25595
70 1 1 . 1 1 324 324 ALA CB C 324 18.180 18.180 17.985 0.195 25595
71 1 1 . 1 1 324 324 ALA H H 324 8.180 8.180 7.738 0.442 25595
72 1 1 . 1 1 325 325 ALA N N 325 121.020 121.020 121.514 -0.494 25595
73 1 1 . 1 1 325 325 ALA HA H 325 4.250 4.250 3.860 0.390 25595
74 1 1 . 1 1 325 325 ALA CA C 325 55.120 55.120 55.225 -0.105 25595
75 1 1 . 1 1 325 325 ALA CB C 325 18.520 18.520 18.550 -0.030 25595
76 1 1 . 1 1 325 325 ALA H H 325 8.150 8.150 8.380 -0.230 25595
77 1 1 . 1 1 326 326 ALA N N 326 120.870 120.870 120.287 0.583 25595
78 1 1 . 1 1 326 326 ALA HA H 326 4.110 4.110 3.999 0.111 25595
79 1 1 . 1 1 326 326 ALA CA C 326 56.140 56.140 54.890 1.250 25595
80 1 1 . 1 1 326 326 ALA CB C 326 18.450 18.450 18.214 0.236 25595
81 1 1 . 1 1 326 326 ALA H H 326 8.340 8.340 8.152 0.188 25595
82 1 1 . 1 1 327 327 GLN N N 327 116.500 116.500 118.463 -1.963 25595
83 1 1 . 1 1 327 327 GLN HA H 327 3.950 3.950 4.153 -0.203 25595
84 1 1 . 1 1 327 327 GLN CA C 327 60.000 60.000 58.288 1.712 25595
85 1 1 . 1 1 327 327 GLN CB C 327 28.820 28.820 29.076 -0.256 25595
86 1 1 . 1 1 327 327 GLN H H 327 8.380 8.380 7.993 0.387 25595
87 1 1 . 1 1 328 328 ALA N N 328 120.800 120.800 121.242 -0.442 25595
88 1 1 . 1 1 328 328 ALA HA H 328 4.280 4.280 4.319 -0.039 25595
89 1 1 . 1 1 328 328 ALA CA C 328 55.120 55.120 53.892 1.228 25595
90 1 1 . 1 1 328 328 ALA CB C 328 18.210 18.210 18.357 -0.147 25595
91 1 1 . 1 1 328 328 ALA H H 328 8.020 8.020 8.444 -0.424 25595
92 1 1 . 1 1 329 329 ALA N N 329 121.620 121.620 122.919 -1.299 25595
93 1 1 . 1 1 329 329 ALA HA H 329 4.300 4.300 4.045 0.255 25595
94 1 1 . 1 1 329 329 ALA CA C 329 55.100 55.100 55.110 -0.010 25595
95 1 1 . 1 1 329 329 ALA CB C 329 18.530 18.530 18.497 0.033 25595
96 1 1 . 1 1 329 329 ALA H H 329 7.920 7.920 8.140 -0.220 25595
97 1 1 . 1 1 330 330 LEU N N 330 118.680 118.680 116.962 1.718 25595
98 1 1 . 1 1 330 330 LEU HA H 330 4.260 4.260 4.288 -0.028 25595
99 1 1 . 1 1 330 330 LEU CA C 330 57.800 57.800 56.727 1.073 25595
100 1 1 . 1 1 330 330 LEU CB C 330 42.060 42.060 42.113 -0.053 25595
101 1 1 . 1 1 330 330 LEU H H 330 8.240 8.240 7.666 0.574 25595
102 1 1 . 1 1 331 331 GLN N N 331 117.200 117.200 120.789 -3.589 25595
103 1 1 . 1 1 331 331 GLN HA H 331 4.170 4.170 4.245 -0.075 25595
104 1 1 . 1 1 331 331 GLN CA C 331 58.820 58.820 58.904 -0.084 25595
105 1 1 . 1 1 331 331 GLN CB C 331 28.840 28.840 28.458 0.382 25595
106 1 1 . 1 1 331 331 GLN H H 331 8.160 8.160 7.967 0.193 25595
107 1 1 . 1 1 332 332 SER N N 332 113.990 113.990 116.100 -2.110 25595
108 1 1 . 1 1 332 332 SER HA H 332 4.520 4.520 4.079 0.441 25595
109 1 1 . 1 1 332 332 SER CA C 332 60.650 60.650 62.289 -1.639 25595
110 1 1 . 1 1 332 332 SER CB C 332 63.810 63.810 62.526 1.284 25595
111 1 1 . 1 1 332 332 SER H H 332 8.120 8.120 8.632 -0.512 25595
112 1 1 . 1 1 333 333 SER N N 333 116.990 116.990 117.486 -0.496 25595
113 1 1 . 1 1 333 333 SER HA H 333 4.460 4.460 4.056 0.404 25595
114 1 1 . 1 1 333 333 SER CA C 333 61.100 61.100 60.852 0.248 25595
115 1 1 . 1 1 333 333 SER CB C 333 63.840 63.840 62.536 1.304 25595
116 1 1 . 1 1 333 333 SER H H 333 8.130 8.130 7.546 0.584 25595
117 1 1 . 1 1 334 334 TRP N N 334 122.550 122.550 120.350 2.200 25595
118 1 1 . 1 1 334 334 TRP HA H 334 4.580 4.580 4.533 0.047 25595
119 1 1 . 1 1 334 334 TRP CA C 334 59.450 59.450 58.012 1.438 25595
120 1 1 . 1 1 334 334 TRP CB C 334 29.900 29.900 29.542 0.358 25595
121 1 1 . 1 1 334 334 TRP H H 334 8.160 8.160 7.002 1.158 25595
122 1 1 . 1 1 335 335 GLY N N 335 126.520 126.520 108.317 18.203 25595
123 1 1 . 1 1 335 335 GLY CA C 335 46.790 46.790 47.222 -0.432 25595
124 1 1 . 1 1 335 335 GLY H H 335 8.400 8.400 8.795 -0.395 25595
125 1 1 . 1 1 336 336 MET N N 336 119.780 119.780 120.913 -1.133 25595
126 1 1 . 1 1 336 336 MET HA H 336 4.410 4.410 4.086 0.324 25595
127 1 1 . 1 1 336 336 MET CA C 336 57.380 57.380 59.452 -2.072 25595
128 1 1 . 1 1 336 336 MET CB C 336 32.960 32.960 32.368 0.592 25595
129 1 1 . 1 1 336 336 MET H H 336 8.080 8.080 7.965 0.115 25595
130 1 1 . 1 1 337 337 MET N N 337 117.510 117.510 116.551 0.959 25595
131 1 1 . 1 1 337 337 MET HA H 337 4.300 4.300 4.383 -0.083 25595
132 1 1 . 1 1 337 337 MET CA C 337 57.660 57.660 58.812 -1.152 25595
133 1 1 . 1 1 337 337 MET CB C 337 32.520 32.520 31.925 0.595 25595
134 1 1 . 1 1 337 337 MET H H 337 8.120 8.120 7.664 0.456 25595
135 1 1 . 1 1 338 338 GLY N N 338 126.460 126.460 108.782 17.678 25595
136 1 1 . 1 1 338 338 GLY CA C 338 46.540 46.540 47.140 -0.600 25595
137 1 1 . 1 1 338 338 GLY H H 338 8.180 8.180 7.892 0.288 25595
138 1 1 . 1 1 339 339 MET N N 339 119.210 119.210 121.280 -2.070 25595
139 1 1 . 1 1 339 339 MET HA H 339 4.410 4.410 4.147 0.263 25595
140 1 1 . 1 1 339 339 MET CA C 339 57.300 57.300 59.176 -1.876 25595
141 1 1 . 1 1 339 339 MET CB C 339 32.540 32.540 32.649 -0.109 25595
142 1 1 . 1 1 339 339 MET H H 339 7.910 7.910 8.490 -0.580 25595
143 1 1 . 1 1 340 340 LEU N N 340 119.450 119.450 118.862 0.588 25595
144 1 1 . 1 1 340 340 LEU HA H 340 4.320 4.320 4.043 0.277 25595
145 1 1 . 1 1 340 340 LEU CA C 340 56.230 56.230 57.322 -1.092 25595
146 1 1 . 1 1 340 340 LEU CB C 340 42.420 42.420 41.669 0.751 25595
147 1 1 . 1 1 340 340 LEU H H 340 7.960 7.960 7.538 0.422 25595
148 1 1 . 1 1 341 341 ALA N N 341 121.250 121.250 121.761 -0.511 25595
149 1 1 . 1 1 341 341 ALA HA H 341 4.370 4.370 3.997 0.373 25595
150 1 1 . 1 1 341 341 ALA CA C 341 53.100 53.100 55.205 -2.105 25595
151 1 1 . 1 1 341 341 ALA CB C 341 19.460 19.460 18.480 0.980 25595
152 1 1 . 1 1 341 341 ALA H H 341 7.980 7.980 8.404 -0.424 25595
153 1 1 . 1 1 342 342 SER N N 342 113.590 113.590 111.991 1.599 25595
154 1 1 . 1 1 342 342 SER HA H 342 4.470 4.470 4.232 0.238 25595
155 1 1 . 1 1 342 342 SER CA C 342 59.150 59.150 61.092 -1.942 25595
156 1 1 . 1 1 342 342 SER CB C 342 64.020 64.020 62.688 1.332 25595
157 1 1 . 1 1 342 342 SER H H 342 8.050 8.050 8.272 -0.222 25595
158 1 1 . 1 1 343 343 GLN N N 343 121.240 121.240 119.633 1.607 25595
159 1 1 . 1 1 343 343 GLN HA H 343 4.400 4.400 4.300 0.100 25595
160 1 1 . 1 1 343 343 GLN CA C 343 56.360 56.360 58.666 -2.306 25595
161 1 1 . 1 1 343 343 GLN CB C 343 29.450 29.450 29.202 0.248 25595
162 1 1 . 1 1 343 343 GLN H H 343 8.280 8.280 7.506 0.774 25595
163 1 1 . 1 1 344 344 GLN N N 344 120.200 120.200 115.217 4.983 25595
164 1 1 . 1 1 344 344 GLN HA H 344 4.400 4.400 4.538 -0.138 25595
165 1 1 . 1 1 344 344 GLN CA C 344 56.370 56.370 56.248 0.122 25595
166 1 1 . 1 1 344 344 GLN CB C 344 29.460 29.460 30.255 -0.795 25595
167 1 1 . 1 1 344 344 GLN H H 344 8.290 8.290 7.743 0.547 25595
168 1 1 . 1 1 345 345 ASN N N 345 119.010 119.010 117.966 1.044 25595
169 1 1 . 1 1 345 345 ASN HA H 345 4.780 4.780 4.809 -0.029 25595
170 1 1 . 1 1 345 345 ASN CA C 345 53.660 53.660 53.890 -0.230 25595
171 1 1 . 1 1 345 345 ASN CB C 345 38.970 38.970 40.620 -1.649 25595
172 1 1 . 1 1 345 345 ASN H H 345 8.430 8.430 8.401 0.029 25595
173 1 1 . 1 1 346 346 GLN N N 346 120.680 120.680 118.253 2.427 25595
174 1 1 . 1 1 346 346 GLN HA H 346 4.480 4.480 4.462 0.018 25595
175 1 1 . 1 1 346 346 GLN CA C 346 56.110 56.110 55.212 0.898 25595
176 1 1 . 1 1 346 346 GLN CB C 346 29.550 29.550 30.700 -1.150 25595
177 1 1 . 1 1 346 346 GLN H H 346 8.370 8.370 8.029 0.341 25595
178 1 1 . 1 1 347 347 SER N N 347 116.650 116.650 116.257 0.393 25595
179 1 1 . 1 1 347 347 SER HA H 347 4.580 4.580 4.589 -0.009 25595
180 1 1 . 1 1 347 347 SER CA C 347 58.700 58.700 58.663 0.037 25595
181 1 1 . 1 1 347 347 SER CB C 347 64.280 64.280 63.234 1.046 25595
182 1 1 . 1 1 347 347 SER H H 347 8.350 8.350 8.051 0.299 25595
183 1 1 . 1 1 348 348 GLY N N 348 110.400 110.400 114.660 -4.260 25595
184 1 1 . 1 1 348 348 GLY CA C 348 44.930 44.930 44.146 0.784 25595
185 1 1 . 1 1 348 348 GLY H H 348 8.220 8.220 8.544 -0.324 25595
186 1 2 . 1 1 308 308 GLY N N 308 109.290 109.290 111.577 -2.287 25595
187 1 2 . 1 1 308 308 GLY CA C 308 45.570 45.570 44.192 1.378 25595
188 1 2 . 1 1 308 308 GLY H H 308 8.430 8.430 8.403 0.027 25595
189 1 2 . 1 1 309 309 GLY N N 309 108.720 108.720 107.343 1.377 25595
190 1 2 . 1 1 309 309 GLY CA C 309 45.590 45.590 44.786 0.804 25595
191 1 2 . 1 1 309 309 GLY H H 309 8.310 8.310 8.604 -0.294 25595
192 1 2 . 1 1 310 310 GLY N N 310 107.760 107.760 108.361 -0.601 25595
193 1 2 . 1 1 310 310 GLY CA C 310 45.290 45.290 46.645 -1.355 25595
194 1 2 . 1 1 310 310 GLY H H 310 7.980 7.980 7.920 0.060 25595
195 1 2 . 1 1 311 311 MET N N 311 119.520 119.520 118.495 1.025 25595
196 1 2 . 1 1 311 311 MET HA H 311 4.470 4.470 4.609 -0.139 25595
197 1 2 . 1 1 311 311 MET CA C 311 55.560 55.560 54.300 1.260 25595
198 1 2 . 1 1 311 311 MET CB C 311 33.820 33.820 33.118 0.702 25595
199 1 2 . 1 1 311 311 MET H H 311 8.370 8.370 7.678 0.692 25595
200 1 2 . 1 1 312 312 ASN N N 312 120.200 120.200 118.762 1.438 25595
201 1 2 . 1 1 312 312 ASN HA H 312 4.880 4.880 4.595 0.285 25595
202 1 2 . 1 1 312 312 ASN CA C 312 52.900 52.900 55.283 -2.383 25595
203 1 2 . 1 1 312 312 ASN CB C 312 39.490 39.490 38.849 0.641 25595
204 1 2 . 1 1 312 312 ASN H H 312 8.360 8.360 8.763 -0.403 25595
205 1 2 . 1 1 313 313 PHE N N 313 121.510 121.510 114.544 6.966 25595
206 1 2 . 1 1 313 313 PHE HA H 313 4.620 4.620 4.490 0.130 25595
207 1 2 . 1 1 313 313 PHE CA C 313 58.470 58.470 58.667 -0.197 25595
208 1 2 . 1 1 313 313 PHE CB C 313 39.650 39.650 40.533 -0.883 25595
209 1 2 . 1 1 313 313 PHE H H 313 8.540 8.540 7.763 0.777 25595
210 1 2 . 1 1 314 314 GLY N N 314 108.900 108.900 108.349 0.551 25595
211 1 2 . 1 1 314 314 GLY CA C 314 46.440 46.440 45.914 0.526 25595
212 1 2 . 1 1 314 314 GLY H H 314 8.510 8.510 8.090 0.420 25595
213 1 2 . 1 1 315 315 ALA N N 315 123.790 123.790 122.792 0.998 25595
214 1 2 . 1 1 315 315 ALA HA H 315 4.340 4.340 4.408 -0.068 25595
215 1 2 . 1 1 315 315 ALA CA C 315 52.770 52.770 53.978 -1.208 25595
216 1 2 . 1 1 315 315 ALA CB C 315 19.320 19.320 19.092 0.228 25595
217 1 2 . 1 1 315 315 ALA H H 315 8.130 8.130 8.688 -0.558 25595
218 1 2 . 1 1 316 316 PHE N N 316 116.810 116.810 115.936 0.874 25595
219 1 2 . 1 1 316 316 PHE HA H 316 4.710 4.710 4.807 -0.097 25595
220 1 2 . 1 1 316 316 PHE CA C 316 57.560 57.560 59.217 -1.657 25595
221 1 2 . 1 1 316 316 PHE CB C 316 40.270 40.270 39.700 0.570 25595
222 1 2 . 1 1 316 316 PHE H H 316 7.820 7.820 8.234 -0.414 25595
223 1 2 . 1 1 317 317 SER N N 317 116.500 116.500 117.152 -0.652 25595
224 1 2 . 1 1 317 317 SER HA H 317 4.730 4.730 4.291 0.439 25595
225 1 2 . 1 1 317 317 SER CA C 317 57.760 57.760 59.709 -1.949 25595
226 1 2 . 1 1 317 317 SER CB C 317 64.700 64.700 62.448 2.252 25595
227 1 2 . 1 1 317 317 SER H H 317 8.130 8.130 8.741 -0.611 25595
228 1 2 . 1 1 318 318 ILE N N 318 121.180 121.180 116.380 4.800 25595
229 1 2 . 1 1 318 318 ILE HA H 318 4.410 4.410 4.187 0.223 25595
230 1 2 . 1 1 318 318 ILE CA C 318 60.370 60.370 61.904 -1.534 25595
231 1 2 . 1 1 318 318 ILE CB C 318 39.080 39.080 40.226 -1.146 25595
232 1 2 . 1 1 318 318 ILE H H 318 8.290 8.290 7.744 0.546 25595
233 1 2 . 1 1 319 319 ASN N N 319 124.880 124.880 116.826 8.054 25595
234 1 2 . 1 1 319 319 ASN HA H 319 5.010 5.010 4.959 0.051 25595
235 1 2 . 1 1 319 319 ASN CA C 319 52.060 52.060 51.291 0.770 25595
236 1 2 . 1 1 319 319 ASN CB C 319 38.990 38.990 40.852 -1.862 25595
237 1 2 . 1 1 319 319 ASN H H 319 8.160 8.160 7.753 0.407 25595
238 1 2 . 1 1 320 320 PRO CA C 320 65.960 65.960 63.733 2.227 25595
239 1 2 . 1 1 320 320 PRO CB C 320 32.250 32.250 30.633 1.617 25595
240 1 2 . 1 1 321 321 ALA N N 321 121.040 121.040 128.921 -7.881 25595
241 1 2 . 1 1 321 321 ALA HA H 321 4.340 4.340 3.926 0.414 25595
242 1 2 . 1 1 321 321 ALA CA C 321 55.290 55.290 54.927 0.363 25595
243 1 2 . 1 1 321 321 ALA CB C 321 18.340 18.340 17.191 1.149 25595
244 1 2 . 1 1 321 321 ALA H H 321 8.300 8.300 9.043 -0.743 25595
245 1 2 . 1 1 322 322 MET CA C 322 58.490 58.490 58.666 -0.176 25595
246 1 2 . 1 1 322 322 MET CB C 322 33.030 33.030 32.467 0.563 25595
247 1 2 . 1 1 323 323 MET N N 323 117.800 117.800 117.210 0.590 25595
248 1 2 . 1 1 323 323 MET HA H 323 4.250 4.250 4.395 -0.145 25595
249 1 2 . 1 1 323 323 MET CA C 323 58.660 58.660 57.183 1.477 25595
250 1 2 . 1 1 323 323 MET CB C 323 32.290 32.290 31.839 0.451 25595
251 1 2 . 1 1 323 323 MET H H 323 7.910 7.910 7.817 0.093 25595
252 1 2 . 1 1 324 324 ALA N N 324 121.020 121.020 122.910 -1.890 25595
253 1 2 . 1 1 324 324 ALA HA H 324 4.230 4.230 4.095 0.135 25595
254 1 2 . 1 1 324 324 ALA CA C 324 55.140 55.140 55.180 -0.040 25595
255 1 2 . 1 1 324 324 ALA CB C 324 18.180 18.180 18.424 -0.244 25595
256 1 2 . 1 1 324 324 ALA H H 324 8.180 8.180 7.800 0.380 25595
257 1 2 . 1 1 325 325 ALA N N 325 121.020 121.020 121.498 -0.478 25595
258 1 2 . 1 1 325 325 ALA HA H 325 4.250 4.250 3.873 0.377 25595
259 1 2 . 1 1 325 325 ALA CA C 325 55.120 55.120 55.262 -0.142 25595
260 1 2 . 1 1 325 325 ALA CB C 325 18.520 18.520 18.561 -0.041 25595
261 1 2 . 1 1 325 325 ALA H H 325 8.150 8.150 8.472 -0.322 25595
262 1 2 . 1 1 326 326 ALA N N 326 120.870 120.870 119.965 0.905 25595
263 1 2 . 1 1 326 326 ALA HA H 326 4.110 4.110 4.032 0.078 25595
264 1 2 . 1 1 326 326 ALA CA C 326 56.140 56.140 54.813 1.327 25595
265 1 2 . 1 1 326 326 ALA CB C 326 18.450 18.450 18.239 0.211 25595
266 1 2 . 1 1 326 326 ALA H H 326 8.340 8.340 7.787 0.553 25595
267 1 2 . 1 1 327 327 GLN N N 327 116.500 116.500 117.639 -1.139 25595
268 1 2 . 1 1 327 327 GLN HA H 327 3.950 3.950 4.175 -0.225 25595
269 1 2 . 1 1 327 327 GLN CA C 327 60.000 60.000 58.091 1.909 25595
270 1 2 . 1 1 327 327 GLN CB C 327 28.820 28.820 29.118 -0.298 25595
271 1 2 . 1 1 327 327 GLN H H 327 8.380 8.380 7.910 0.470 25595
272 1 2 . 1 1 328 328 ALA N N 328 120.800 120.800 121.466 -0.666 25595
273 1 2 . 1 1 328 328 ALA HA H 328 4.280 4.280 4.168 0.112 25595
274 1 2 . 1 1 328 328 ALA CA C 328 55.120 55.120 54.012 1.108 25595
275 1 2 . 1 1 328 328 ALA CB C 328 18.210 18.210 18.282 -0.072 25595
276 1 2 . 1 1 328 328 ALA H H 328 8.020 8.020 8.422 -0.402 25595
277 1 2 . 1 1 329 329 ALA N N 329 121.620 121.620 122.369 -0.749 25595
278 1 2 . 1 1 329 329 ALA HA H 329 4.300 4.300 3.962 0.338 25595
279 1 2 . 1 1 329 329 ALA CA C 329 55.100 55.100 54.971 0.129 25595
280 1 2 . 1 1 329 329 ALA CB C 329 18.530 18.530 18.463 0.067 25595
281 1 2 . 1 1 329 329 ALA H H 329 7.920 7.920 8.077 -0.157 25595
282 1 2 . 1 1 330 330 LEU N N 330 118.680 118.680 116.804 1.876 25595
283 1 2 . 1 1 330 330 LEU HA H 330 4.260 4.260 3.979 0.281 25595
284 1 2 . 1 1 330 330 LEU CA C 330 57.800 57.800 56.441 1.359 25595
285 1 2 . 1 1 330 330 LEU CB C 330 42.060 42.060 41.713 0.347 25595
286 1 2 . 1 1 330 330 LEU H H 330 8.240 8.240 7.529 0.711 25595
287 1 2 . 1 1 331 331 GLN N N 331 117.200 117.200 119.813 -2.613 25595
288 1 2 . 1 1 331 331 GLN HA H 331 4.170 4.170 3.771 0.399 25595
289 1 2 . 1 1 331 331 GLN CA C 331 58.820 58.820 58.838 -0.018 25595
290 1 2 . 1 1 331 331 GLN CB C 331 28.840 28.840 28.494 0.346 25595
291 1 2 . 1 1 331 331 GLN H H 331 8.160 8.160 7.478 0.682 25595
292 1 2 . 1 1 332 332 SER N N 332 113.990 113.990 115.839 -1.849 25595
293 1 2 . 1 1 332 332 SER HA H 332 4.520 4.520 4.090 0.430 25595
294 1 2 . 1 1 332 332 SER CA C 332 60.650 60.650 62.154 -1.504 25595
295 1 2 . 1 1 332 332 SER CB C 332 63.810 63.810 62.521 1.289 25595
296 1 2 . 1 1 332 332 SER H H 332 8.120 8.120 8.448 -0.328 25595
297 1 2 . 1 1 333 333 SER N N 333 116.990 116.990 117.402 -0.412 25595
298 1 2 . 1 1 333 333 SER HA H 333 4.460 4.460 4.237 0.223 25595
299 1 2 . 1 1 333 333 SER CA C 333 61.100 61.100 60.749 0.350 25595
300 1 2 . 1 1 333 333 SER CB C 333 63.840 63.840 62.804 1.036 25595
301 1 2 . 1 1 333 333 SER H H 333 8.130 8.130 7.481 0.649 25595
302 1 2 . 1 1 334 334 TRP N N 334 122.550 122.550 120.855 1.695 25595
303 1 2 . 1 1 334 334 TRP HA H 334 4.580 4.580 4.621 -0.041 25595
304 1 2 . 1 1 334 334 TRP CA C 334 59.450 59.450 57.378 2.072 25595
305 1 2 . 1 1 334 334 TRP CB C 334 29.900 29.900 28.856 1.044 25595
306 1 2 . 1 1 334 334 TRP H H 334 8.160 8.160 7.328 0.832 25595
307 1 2 . 1 1 335 335 GLY N N 335 126.520 126.520 108.213 18.307 25595
308 1 2 . 1 1 335 335 GLY CA C 335 46.790 46.790 47.172 -0.382 25595
309 1 2 . 1 1 335 335 GLY H H 335 8.400 8.400 9.028 -0.628 25595
310 1 2 . 1 1 336 336 MET N N 336 119.780 119.780 120.889 -1.109 25595
311 1 2 . 1 1 336 336 MET HA H 336 4.410 4.410 4.146 0.264 25595
312 1 2 . 1 1 336 336 MET CA C 336 57.380 57.380 58.870 -1.490 25595
313 1 2 . 1 1 336 336 MET CB C 336 32.960 32.960 32.113 0.847 25595
314 1 2 . 1 1 336 336 MET H H 336 8.080 8.080 8.188 -0.108 25595
315 1 2 . 1 1 337 337 MET N N 337 117.510 117.510 116.664 0.846 25595
316 1 2 . 1 1 337 337 MET HA H 337 4.300 4.300 4.387 -0.087 25595
317 1 2 . 1 1 337 337 MET CA C 337 57.660 57.660 58.535 -0.875 25595
318 1 2 . 1 1 337 337 MET CB C 337 32.520 32.520 32.700 -0.180 25595
319 1 2 . 1 1 337 337 MET H H 337 8.120 8.120 7.595 0.525 25595
320 1 2 . 1 1 338 338 GLY N N 338 126.460 126.460 108.631 17.829 25595
321 1 2 . 1 1 338 338 GLY CA C 338 46.540 46.540 47.373 -0.833 25595
322 1 2 . 1 1 338 338 GLY H H 338 8.180 8.180 8.804 -0.624 25595
323 1 2 . 1 1 339 339 MET N N 339 119.210 119.210 119.696 -0.486 25595
324 1 2 . 1 1 339 339 MET HA H 339 4.410 4.410 4.208 0.202 25595
325 1 2 . 1 1 339 339 MET CA C 339 57.300 57.300 58.785 -1.486 25595
326 1 2 . 1 1 339 339 MET CB C 339 32.540 32.540 32.596 -0.056 25595
327 1 2 . 1 1 339 339 MET H H 339 7.910 7.910 8.422 -0.512 25595
328 1 2 . 1 1 340 340 LEU N N 340 119.450 119.450 117.979 1.471 25595
329 1 2 . 1 1 340 340 LEU HA H 340 4.320 4.320 4.156 0.164 25595
330 1 2 . 1 1 340 340 LEU CA C 340 56.230 56.230 56.899 -0.669 25595
331 1 2 . 1 1 340 340 LEU CB C 340 42.420 42.420 41.819 0.601 25595
332 1 2 . 1 1 340 340 LEU H H 340 7.960 7.960 7.345 0.615 25595
333 1 2 . 1 1 341 341 ALA N N 341 121.250 121.250 122.090 -0.840 25595
334 1 2 . 1 1 341 341 ALA HA H 341 4.370 4.370 3.981 0.389 25595
335 1 2 . 1 1 341 341 ALA CA C 341 53.100 53.100 54.904 -1.804 25595
336 1 2 . 1 1 341 341 ALA CB C 341 19.460 19.460 18.583 0.877 25595
337 1 2 . 1 1 341 341 ALA H H 341 7.980 7.980 8.340 -0.360 25595
338 1 2 . 1 1 342 342 SER N N 342 113.590 113.590 112.272 1.318 25595
339 1 2 . 1 1 342 342 SER HA H 342 4.470 4.470 4.333 0.137 25595
340 1 2 . 1 1 342 342 SER CA C 342 59.150 59.150 59.967 -0.817 25595
341 1 2 . 1 1 342 342 SER CB C 342 64.020 64.020 62.826 1.194 25595
342 1 2 . 1 1 342 342 SER H H 342 8.050 8.050 8.304 -0.254 25595
343 1 2 . 1 1 343 343 GLN N N 343 121.240 121.240 120.341 0.899 25595
344 1 2 . 1 1 343 343 GLN HA H 343 4.400 4.400 4.221 0.179 25595
345 1 2 . 1 1 343 343 GLN CA C 343 56.360 56.360 58.818 -2.458 25595
346 1 2 . 1 1 343 343 GLN CB C 343 29.450 29.450 29.280 0.170 25595
347 1 2 . 1 1 343 343 GLN H H 343 8.280 8.280 7.431 0.849 25595
348 1 2 . 1 1 344 344 GLN N N 344 120.200 120.200 113.758 6.442 25595
349 1 2 . 1 1 344 344 GLN HA H 344 4.400 4.400 4.509 -0.109 25595
350 1 2 . 1 1 344 344 GLN CA C 344 56.370 56.370 55.763 0.607 25595
351 1 2 . 1 1 344 344 GLN CB C 344 29.460 29.460 30.118 -0.658 25595
352 1 2 . 1 1 344 344 GLN H H 344 8.290 8.290 7.802 0.488 25595
353 1 2 . 1 1 345 345 ASN N N 345 119.010 119.010 118.374 0.636 25595
354 1 2 . 1 1 345 345 ASN HA H 345 4.780 4.780 4.804 -0.024 25595
355 1 2 . 1 1 345 345 ASN CA C 345 53.660 53.660 54.252 -0.592 25595
356 1 2 . 1 1 345 345 ASN CB C 345 38.970 38.970 40.681 -1.711 25595
357 1 2 . 1 1 345 345 ASN H H 345 8.430 8.430 8.451 -0.021 25595
358 1 2 . 1 1 346 346 GLN N N 346 120.680 120.680 118.332 2.348 25595
359 1 2 . 1 1 346 346 GLN HA H 346 4.480 4.480 4.503 -0.022 25595
360 1 2 . 1 1 346 346 GLN CA C 346 56.110 56.110 55.320 0.790 25595
361 1 2 . 1 1 346 346 GLN CB C 346 29.550 29.550 30.303 -0.753 25595
362 1 2 . 1 1 346 346 GLN H H 346 8.370 8.370 8.118 0.252 25595
363 1 2 . 1 1 347 347 SER N N 347 116.650 116.650 116.141 0.509 25595
364 1 2 . 1 1 347 347 SER HA H 347 4.580 4.580 4.716 -0.136 25595
365 1 2 . 1 1 347 347 SER CA C 347 58.700 58.700 57.846 0.854 25595
366 1 2 . 1 1 347 347 SER CB C 347 64.280 64.280 62.624 1.656 25595
367 1 2 . 1 1 347 347 SER H H 347 8.350 8.350 8.142 0.208 25595
368 1 2 . 1 1 348 348 GLY N N 348 110.400 110.400 114.805 -4.405 25595
369 1 2 . 1 1 348 348 GLY CA C 348 44.930 44.930 44.021 0.909 25595
370 1 2 . 1 1 348 348 GLY H H 348 8.220 8.220 8.219 0.001 25595
371 1 3 . 1 1 308 308 GLY N N 308 109.290 109.290 109.599 -0.309 25595
372 1 3 . 1 1 308 308 GLY CA C 308 45.570 45.570 45.632 -0.062 25595
373 1 3 . 1 1 308 308 GLY H H 308 8.430 8.430 8.259 0.171 25595
374 1 3 . 1 1 309 309 GLY N N 309 108.720 108.720 109.757 -1.037 25595
375 1 3 . 1 1 309 309 GLY CA C 309 45.590 45.590 44.383 1.207 25595
376 1 3 . 1 1 309 309 GLY H H 309 8.310 8.310 7.755 0.555 25595
377 1 3 . 1 1 310 310 GLY N N 310 107.760 107.760 107.772 -0.012 25595
378 1 3 . 1 1 310 310 GLY CA C 310 45.290 45.290 45.491 -0.201 25595
379 1 3 . 1 1 310 310 GLY H H 310 7.980 7.980 8.743 -0.763 25595
380 1 3 . 1 1 311 311 MET N N 311 119.520 119.520 114.570 4.950 25595
381 1 3 . 1 1 311 311 MET HA H 311 4.470 4.470 4.009 0.461 25595
382 1 3 . 1 1 311 311 MET CA C 311 55.560 55.560 56.773 -1.213 25595
383 1 3 . 1 1 311 311 MET CB C 311 33.820 33.820 30.061 3.759 25595
384 1 3 . 1 1 311 311 MET H H 311 8.370 8.370 8.111 0.259 25595
385 1 3 . 1 1 312 312 ASN N N 312 120.200 120.200 118.387 1.813 25595
386 1 3 . 1 1 312 312 ASN HA H 312 4.880 4.880 4.603 0.277 25595
387 1 3 . 1 1 312 312 ASN CA C 312 52.900 52.900 55.119 -2.219 25595
388 1 3 . 1 1 312 312 ASN CB C 312 39.490 39.490 38.872 0.618 25595
389 1 3 . 1 1 312 312 ASN H H 312 8.360 8.360 8.212 0.148 25595
390 1 3 . 1 1 313 313 PHE N N 313 121.510 121.510 119.104 2.406 25595
391 1 3 . 1 1 313 313 PHE HA H 313 4.620 4.620 4.645 -0.025 25595
392 1 3 . 1 1 313 313 PHE CA C 313 58.470 58.470 58.976 -0.506 25595
393 1 3 . 1 1 313 313 PHE CB C 313 39.650 39.650 39.819 -0.168 25595
394 1 3 . 1 1 313 313 PHE H H 313 8.540 8.540 8.519 0.021 25595
395 1 3 . 1 1 314 314 GLY N N 314 108.900 108.900 108.074 0.826 25595
396 1 3 . 1 1 314 314 GLY CA C 314 46.440 46.440 46.500 -0.060 25595
397 1 3 . 1 1 314 314 GLY H H 314 8.510 8.510 8.697 -0.187 25595
398 1 3 . 1 1 315 315 ALA N N 315 123.790 123.790 122.419 1.371 25595
399 1 3 . 1 1 315 315 ALA HA H 315 4.340 4.340 4.446 -0.106 25595
400 1 3 . 1 1 315 315 ALA CA C 315 52.770 52.770 53.936 -1.166 25595
401 1 3 . 1 1 315 315 ALA CB C 315 19.320 19.320 19.309 0.011 25595
402 1 3 . 1 1 315 315 ALA H H 315 8.130 8.130 8.225 -0.095 25595
403 1 3 . 1 1 316 316 PHE N N 316 116.810 116.810 115.751 1.059 25595
404 1 3 . 1 1 316 316 PHE HA H 316 4.710 4.710 4.806 -0.096 25595
405 1 3 . 1 1 316 316 PHE CA C 316 57.560 57.560 59.065 -1.505 25595
406 1 3 . 1 1 316 316 PHE CB C 316 40.270 40.270 40.328 -0.058 25595
407 1 3 . 1 1 316 316 PHE H H 316 7.820 7.820 8.157 -0.337 25595
408 1 3 . 1 1 317 317 SER N N 317 116.500 116.500 117.101 -0.601 25595
409 1 3 . 1 1 317 317 SER HA H 317 4.730 4.730 4.586 0.144 25595
410 1 3 . 1 1 317 317 SER CA C 317 57.760 57.760 58.781 -1.021 25595
411 1 3 . 1 1 317 317 SER CB C 317 64.700 64.700 61.742 2.958 25595
412 1 3 . 1 1 317 317 SER H H 317 8.130 8.130 8.835 -0.705 25595
413 1 3 . 1 1 318 318 ILE N N 318 121.180 121.180 117.453 3.727 25595
414 1 3 . 1 1 318 318 ILE HA H 318 4.410 4.410 4.184 0.226 25595
415 1 3 . 1 1 318 318 ILE CA C 318 60.370 60.370 61.900 -1.530 25595
416 1 3 . 1 1 318 318 ILE CB C 318 39.080 39.080 40.024 -0.944 25595
417 1 3 . 1 1 318 318 ILE H H 318 8.290 8.290 7.906 0.384 25595
418 1 3 . 1 1 319 319 ASN N N 319 124.880 124.880 116.883 7.997 25595
419 1 3 . 1 1 319 319 ASN HA H 319 5.010 5.010 4.969 0.041 25595
420 1 3 . 1 1 319 319 ASN CA C 319 52.060 52.060 51.657 0.403 25595
421 1 3 . 1 1 319 319 ASN CB C 319 38.990 38.990 41.502 -2.512 25595
422 1 3 . 1 1 319 319 ASN H H 319 8.160 8.160 7.796 0.364 25595
423 1 3 . 1 1 320 320 PRO CA C 320 65.960 65.960 63.637 2.323 25595
424 1 3 . 1 1 320 320 PRO CB C 320 32.250 32.250 30.606 1.644 25595
425 1 3 . 1 1 321 321 ALA N N 321 121.040 121.040 129.169 -8.129 25595
426 1 3 . 1 1 321 321 ALA HA H 321 4.340 4.340 3.883 0.457 25595
427 1 3 . 1 1 321 321 ALA CA C 321 55.290 55.290 54.967 0.323 25595
428 1 3 . 1 1 321 321 ALA CB C 321 18.340 18.340 17.170 1.170 25595
429 1 3 . 1 1 321 321 ALA H H 321 8.300 8.300 9.056 -0.756 25595
430 1 3 . 1 1 322 322 MET CA C 322 58.490 58.490 59.170 -0.680 25595
431 1 3 . 1 1 322 322 MET CB C 322 33.030 33.030 32.499 0.531 25595
432 1 3 . 1 1 323 323 MET N N 323 117.800 117.800 117.035 0.765 25595
433 1 3 . 1 1 323 323 MET HA H 323 4.250 4.250 4.318 -0.068 25595
434 1 3 . 1 1 323 323 MET CA C 323 58.660 58.660 57.716 0.944 25595
435 1 3 . 1 1 323 323 MET CB C 323 32.290 32.290 31.831 0.460 25595
436 1 3 . 1 1 323 323 MET H H 323 7.910 7.910 7.796 0.114 25595
437 1 3 . 1 1 324 324 ALA N N 324 121.020 121.020 122.094 -1.074 25595
438 1 3 . 1 1 324 324 ALA HA H 324 4.230 4.230 4.078 0.152 25595
439 1 3 . 1 1 324 324 ALA CA C 324 55.140 55.140 55.106 0.034 25595
440 1 3 . 1 1 324 324 ALA CB C 324 18.180 18.180 18.113 0.068 25595
441 1 3 . 1 1 324 324 ALA H H 324 8.180 8.180 7.661 0.519 25595
442 1 3 . 1 1 325 325 ALA N N 325 121.020 121.020 121.609 -0.589 25595
443 1 3 . 1 1 325 325 ALA HA H 325 4.250 4.250 3.854 0.396 25595
444 1 3 . 1 1 325 325 ALA CA C 325 55.120 55.120 55.260 -0.140 25595
445 1 3 . 1 1 325 325 ALA CB C 325 18.520 18.520 18.543 -0.023 25595
446 1 3 . 1 1 325 325 ALA H H 325 8.150 8.150 8.460 -0.310 25595
447 1 3 . 1 1 326 326 ALA N N 326 120.870 120.870 120.177 0.693 25595
448 1 3 . 1 1 326 326 ALA HA H 326 4.110 4.110 3.995 0.115 25595
449 1 3 . 1 1 326 326 ALA CA C 326 56.140 56.140 54.862 1.278 25595
450 1 3 . 1 1 326 326 ALA CB C 326 18.450 18.450 18.308 0.142 25595
451 1 3 . 1 1 326 326 ALA H H 326 8.340 8.340 8.076 0.264 25595
452 1 3 . 1 1 327 327 GLN N N 327 116.500 116.500 118.150 -1.650 25595
453 1 3 . 1 1 327 327 GLN HA H 327 3.950 3.950 4.131 -0.181 25595
454 1 3 . 1 1 327 327 GLN CA C 327 60.000 60.000 58.155 1.845 25595
455 1 3 . 1 1 327 327 GLN CB C 327 28.820 28.820 28.753 0.067 25595
456 1 3 . 1 1 327 327 GLN H H 327 8.380 8.380 7.928 0.452 25595
457 1 3 . 1 1 328 328 ALA N N 328 120.800 120.800 121.383 -0.583 25595
458 1 3 . 1 1 328 328 ALA HA H 328 4.280 4.280 4.258 0.022 25595
459 1 3 . 1 1 328 328 ALA CA C 328 55.120 55.120 53.776 1.344 25595
460 1 3 . 1 1 328 328 ALA CB C 328 18.210 18.210 18.211 -0.001 25595
461 1 3 . 1 1 328 328 ALA H H 328 8.020 8.020 8.323 -0.303 25595
462 1 3 . 1 1 329 329 ALA N N 329 121.620 121.620 122.593 -0.973 25595
463 1 3 . 1 1 329 329 ALA HA H 329 4.300 4.300 3.973 0.327 25595
464 1 3 . 1 1 329 329 ALA CA C 329 55.100 55.100 55.076 0.024 25595
465 1 3 . 1 1 329 329 ALA CB C 329 18.530 18.530 18.460 0.070 25595
466 1 3 . 1 1 329 329 ALA H H 329 7.920 7.920 8.084 -0.164 25595
467 1 3 . 1 1 330 330 LEU N N 330 118.680 118.680 115.721 2.959 25595
468 1 3 . 1 1 330 330 LEU HA H 330 4.260 4.260 3.953 0.307 25595
469 1 3 . 1 1 330 330 LEU CA C 330 57.800 57.800 56.007 1.793 25595
470 1 3 . 1 1 330 330 LEU CB C 330 42.060 42.060 41.678 0.382 25595
471 1 3 . 1 1 330 330 LEU H H 330 8.240 8.240 7.620 0.620 25595
472 1 3 . 1 1 331 331 GLN N N 331 117.200 117.200 119.672 -2.472 25595
473 1 3 . 1 1 331 331 GLN HA H 331 4.170 4.170 3.648 0.522 25595
474 1 3 . 1 1 331 331 GLN CA C 331 58.820 58.820 58.240 0.580 25595
475 1 3 . 1 1 331 331 GLN CB C 331 28.840 28.840 28.187 0.653 25595
476 1 3 . 1 1 331 331 GLN H H 331 8.160 8.160 7.443 0.717 25595
477 1 3 . 1 1 332 332 SER N N 332 113.990 113.990 115.811 -1.821 25595
478 1 3 . 1 1 332 332 SER HA H 332 4.520 4.520 4.027 0.493 25595
479 1 3 . 1 1 332 332 SER CA C 332 60.650 60.650 62.268 -1.618 25595
480 1 3 . 1 1 332 332 SER CB C 332 63.810 63.810 62.569 1.240 25595
481 1 3 . 1 1 332 332 SER H H 332 8.120 8.120 8.518 -0.398 25595
482 1 3 . 1 1 333 333 SER N N 333 116.990 116.990 116.769 0.221 25595
483 1 3 . 1 1 333 333 SER HA H 333 4.460 4.460 4.229 0.231 25595
484 1 3 . 1 1 333 333 SER CA C 333 61.100 61.100 60.620 0.480 25595
485 1 3 . 1 1 333 333 SER CB C 333 63.840 63.840 62.873 0.967 25595
486 1 3 . 1 1 333 333 SER H H 333 8.130 8.130 7.528 0.602 25595
487 1 3 . 1 1 334 334 TRP N N 334 122.550 122.550 121.102 1.448 25595
488 1 3 . 1 1 334 334 TRP HA H 334 4.580 4.580 4.780 -0.200 25595
489 1 3 . 1 1 334 334 TRP CA C 334 59.450 59.450 56.526 2.924 25595
490 1 3 . 1 1 334 334 TRP CB C 334 29.900 29.900 29.194 0.706 25595
491 1 3 . 1 1 334 334 TRP H H 334 8.160 8.160 7.182 0.978 25595
492 1 3 . 1 1 335 335 GLY N N 335 126.520 126.520 108.553 17.967 25595
493 1 3 . 1 1 335 335 GLY CA C 335 46.790 46.790 47.294 -0.504 25595
494 1 3 . 1 1 335 335 GLY H H 335 8.400 8.400 9.002 -0.602 25595
495 1 3 . 1 1 336 336 MET N N 336 119.780 119.780 121.353 -1.573 25595
496 1 3 . 1 1 336 336 MET HA H 336 4.410 4.410 4.039 0.371 25595
497 1 3 . 1 1 336 336 MET CA C 336 57.380 57.380 59.476 -2.096 25595
498 1 3 . 1 1 336 336 MET CB C 336 32.960 32.960 32.344 0.616 25595
499 1 3 . 1 1 336 336 MET H H 336 8.080 8.080 8.003 0.077 25595
500 1 3 . 1 1 337 337 MET N N 337 117.510 117.510 116.837 0.673 25595
501 1 3 . 1 1 337 337 MET HA H 337 4.300 4.300 4.324 -0.024 25595
502 1 3 . 1 1 337 337 MET CA C 337 57.660 57.660 58.783 -1.123 25595
503 1 3 . 1 1 337 337 MET CB C 337 32.520 32.520 32.428 0.092 25595
504 1 3 . 1 1 337 337 MET H H 337 8.120 8.120 7.972 0.148 25595
505 1 3 . 1 1 338 338 GLY N N 338 126.460 126.460 108.510 17.950 25595
506 1 3 . 1 1 338 338 GLY CA C 338 46.540 46.540 47.322 -0.782 25595
507 1 3 . 1 1 338 338 GLY H H 338 8.180 8.180 7.952 0.228 25595
508 1 3 . 1 1 339 339 MET N N 339 119.210 119.210 121.623 -2.413 25595
509 1 3 . 1 1 339 339 MET HA H 339 4.410 4.410 4.066 0.344 25595
510 1 3 . 1 1 339 339 MET CA C 339 57.300 57.300 59.542 -2.242 25595
511 1 3 . 1 1 339 339 MET CB C 339 32.540 32.540 32.597 -0.057 25595
512 1 3 . 1 1 339 339 MET H H 339 7.910 7.910 8.451 -0.541 25595
513 1 3 . 1 1 340 340 LEU N N 340 119.450 119.450 118.761 0.689 25595
514 1 3 . 1 1 340 340 LEU HA H 340 4.320 4.320 4.008 0.312 25595
515 1 3 . 1 1 340 340 LEU CA C 340 56.230 56.230 57.245 -1.016 25595
516 1 3 . 1 1 340 340 LEU CB C 340 42.420 42.420 41.503 0.917 25595
517 1 3 . 1 1 340 340 LEU H H 340 7.960 7.960 7.504 0.456 25595
518 1 3 . 1 1 341 341 ALA N N 341 121.250 121.250 121.977 -0.727 25595
519 1 3 . 1 1 341 341 ALA HA H 341 4.370 4.370 3.997 0.373 25595
520 1 3 . 1 1 341 341 ALA CA C 341 53.100 53.100 55.064 -1.964 25595
521 1 3 . 1 1 341 341 ALA CB C 341 19.460 19.460 18.514 0.946 25595
522 1 3 . 1 1 341 341 ALA H H 341 7.980 7.980 8.331 -0.351 25595
523 1 3 . 1 1 342 342 SER N N 342 113.590 113.590 113.598 -0.008 25595
524 1 3 . 1 1 342 342 SER HA H 342 4.470 4.470 4.236 0.234 25595
525 1 3 . 1 1 342 342 SER CA C 342 59.150 59.150 60.582 -1.432 25595
526 1 3 . 1 1 342 342 SER CB C 342 64.020 64.020 62.998 1.022 25595
527 1 3 . 1 1 342 342 SER H H 342 8.050 8.050 8.477 -0.427 25595
528 1 3 . 1 1 343 343 GLN N N 343 121.240 121.240 120.659 0.581 25595
529 1 3 . 1 1 343 343 GLN HA H 343 4.400 4.400 4.077 0.323 25595
530 1 3 . 1 1 343 343 GLN CA C 343 56.360 56.360 58.696 -2.336 25595
531 1 3 . 1 1 343 343 GLN CB C 343 29.450 29.450 29.070 0.380 25595
532 1 3 . 1 1 343 343 GLN H H 343 8.280 8.280 7.909 0.371 25595
533 1 3 . 1 1 344 344 GLN N N 344 120.200 120.200 115.724 4.476 25595
534 1 3 . 1 1 344 344 GLN HA H 344 4.400 4.400 4.374 0.026 25595
535 1 3 . 1 1 344 344 GLN CA C 344 56.370 56.370 56.690 -0.320 25595
536 1 3 . 1 1 344 344 GLN CB C 344 29.460 29.460 29.913 -0.454 25595
537 1 3 . 1 1 344 344 GLN H H 344 8.290 8.290 7.654 0.636 25595
538 1 3 . 1 1 345 345 ASN N N 345 119.010 119.010 118.165 0.845 25595
539 1 3 . 1 1 345 345 ASN HA H 345 4.780 4.780 4.753 0.027 25595
540 1 3 . 1 1 345 345 ASN CA C 345 53.660 53.660 54.562 -0.902 25595
541 1 3 . 1 1 345 345 ASN CB C 345 38.970 38.970 40.089 -1.119 25595
542 1 3 . 1 1 345 345 ASN H H 345 8.430 8.430 8.428 0.002 25595
543 1 3 . 1 1 346 346 GLN N N 346 120.680 120.680 117.860 2.820 25595
544 1 3 . 1 1 346 346 GLN HA H 346 4.480 4.480 4.529 -0.049 25595
545 1 3 . 1 1 346 346 GLN CA C 346 56.110 56.110 55.069 1.041 25595
546 1 3 . 1 1 346 346 GLN CB C 346 29.550 29.550 29.741 -0.192 25595
547 1 3 . 1 1 346 346 GLN H H 346 8.370 8.370 7.825 0.545 25595
548 1 3 . 1 1 347 347 SER N N 347 116.650 116.650 116.180 0.470 25595
549 1 3 . 1 1 347 347 SER HA H 347 4.580 4.580 4.671 -0.091 25595
550 1 3 . 1 1 347 347 SER CA C 347 58.700 58.700 58.348 0.352 25595
551 1 3 . 1 1 347 347 SER CB C 347 64.280 64.280 63.736 0.544 25595
552 1 3 . 1 1 347 347 SER H H 347 8.350 8.350 7.921 0.429 25595
553 1 3 . 1 1 348 348 GLY N N 348 110.400 110.400 112.538 -2.138 25595
554 1 3 . 1 1 348 348 GLY CA C 348 44.930 44.930 44.435 0.495 25595
555 1 3 . 1 1 348 348 GLY H H 348 8.220 8.220 8.536 -0.316 25595
556 1 4 . 1 1 308 308 GLY N N 308 109.290 109.290 110.873 -1.583 25595
557 1 4 . 1 1 308 308 GLY CA C 308 45.570 45.570 44.868 0.702 25595
558 1 4 . 1 1 308 308 GLY H H 308 8.430 8.430 8.246 0.184 25595
559 1 4 . 1 1 309 309 GLY N N 309 108.720 108.720 109.888 -1.168 25595
560 1 4 . 1 1 309 309 GLY CA C 309 45.590 45.590 45.036 0.554 25595
561 1 4 . 1 1 309 309 GLY H H 309 8.310 8.310 8.395 -0.085 25595
562 1 4 . 1 1 310 310 GLY N N 310 107.760 107.760 107.017 0.743 25595
563 1 4 . 1 1 310 310 GLY CA C 310 45.290 45.290 45.029 0.261 25595
564 1 4 . 1 1 310 310 GLY H H 310 7.980 7.980 8.522 -0.542 25595
565 1 4 . 1 1 311 311 MET N N 311 119.520 119.520 116.265 3.255 25595
566 1 4 . 1 1 311 311 MET HA H 311 4.470 4.470 3.830 0.640 25595
567 1 4 . 1 1 311 311 MET CA C 311 55.560 55.560 57.799 -2.239 25595
568 1 4 . 1 1 311 311 MET CB C 311 33.820 33.820 30.879 2.941 25595
569 1 4 . 1 1 311 311 MET H H 311 8.370 8.370 8.460 -0.090 25595
570 1 4 . 1 1 312 312 ASN N N 312 120.200 120.200 118.642 1.558 25595
571 1 4 . 1 1 312 312 ASN HA H 312 4.880 4.880 4.599 0.281 25595
572 1 4 . 1 1 312 312 ASN CA C 312 52.900 52.900 55.111 -2.211 25595
573 1 4 . 1 1 312 312 ASN CB C 312 39.490 39.490 38.848 0.642 25595
574 1 4 . 1 1 312 312 ASN H H 312 8.360 8.360 8.288 0.072 25595
575 1 4 . 1 1 313 313 PHE N N 313 121.510 121.510 117.137 4.373 25595
576 1 4 . 1 1 313 313 PHE HA H 313 4.620 4.620 4.623 -0.003 25595
577 1 4 . 1 1 313 313 PHE CA C 313 58.470 58.470 58.493 -0.023 25595
578 1 4 . 1 1 313 313 PHE CB C 313 39.650 39.650 40.422 -0.772 25595
579 1 4 . 1 1 313 313 PHE H H 313 8.540 8.540 8.142 0.398 25595
580 1 4 . 1 1 314 314 GLY N N 314 108.900 108.900 109.649 -0.749 25595
581 1 4 . 1 1 314 314 GLY CA C 314 46.440 46.440 46.532 -0.092 25595
582 1 4 . 1 1 314 314 GLY H H 314 8.510 8.510 8.155 0.355 25595
583 1 4 . 1 1 315 315 ALA N N 315 123.790 123.790 121.463 2.327 25595
584 1 4 . 1 1 315 315 ALA HA H 315 4.340 4.340 4.401 -0.061 25595
585 1 4 . 1 1 315 315 ALA CA C 315 52.770 52.770 53.796 -1.026 25595
586 1 4 . 1 1 315 315 ALA CB C 315 19.320 19.320 18.779 0.541 25595
587 1 4 . 1 1 315 315 ALA H H 315 8.130 8.130 7.356 0.774 25595
588 1 4 . 1 1 316 316 PHE N N 316 116.810 116.810 115.824 0.986 25595
589 1 4 . 1 1 316 316 PHE HA H 316 4.710 4.710 4.903 -0.193 25595
590 1 4 . 1 1 316 316 PHE CA C 316 57.560 57.560 58.753 -1.193 25595
591 1 4 . 1 1 316 316 PHE CB C 316 40.270 40.270 39.995 0.275 25595
592 1 4 . 1 1 316 316 PHE H H 316 7.820 7.820 8.071 -0.251 25595
593 1 4 . 1 1 317 317 SER N N 317 116.500 116.500 117.538 -1.038 25595
594 1 4 . 1 1 317 317 SER HA H 317 4.730 4.730 4.480 0.250 25595
595 1 4 . 1 1 317 317 SER CA C 317 57.760 57.760 59.873 -2.112 25595
596 1 4 . 1 1 317 317 SER CB C 317 64.700 64.700 62.297 2.403 25595
597 1 4 . 1 1 317 317 SER H H 317 8.130 8.130 9.057 -0.927 25595
598 1 4 . 1 1 318 318 ILE N N 318 121.180 121.180 116.384 4.796 25595
599 1 4 . 1 1 318 318 ILE HA H 318 4.410 4.410 4.221 0.189 25595
600 1 4 . 1 1 318 318 ILE CA C 318 60.370 60.370 62.305 -1.935 25595
601 1 4 . 1 1 318 318 ILE CB C 318 39.080 39.080 39.596 -0.516 25595
602 1 4 . 1 1 318 318 ILE H H 318 8.290 8.290 7.766 0.524 25595
603 1 4 . 1 1 319 319 ASN N N 319 124.880 124.880 117.399 7.481 25595
604 1 4 . 1 1 319 319 ASN HA H 319 5.010 5.010 4.992 0.018 25595
605 1 4 . 1 1 319 319 ASN CA C 319 52.060 52.060 51.114 0.946 25595
606 1 4 . 1 1 319 319 ASN CB C 319 38.990 38.990 41.747 -2.757 25595
607 1 4 . 1 1 319 319 ASN H H 319 8.160 8.160 7.802 0.358 25595
608 1 4 . 1 1 320 320 PRO CA C 320 65.960 65.960 63.323 2.637 25595
609 1 4 . 1 1 320 320 PRO CB C 320 32.250 32.250 30.262 1.988 25595
610 1 4 . 1 1 321 321 ALA N N 321 121.040 121.040 129.053 -8.013 25595
611 1 4 . 1 1 321 321 ALA HA H 321 4.340 4.340 3.826 0.514 25595
612 1 4 . 1 1 321 321 ALA CA C 321 55.290 55.290 54.494 0.796 25595
613 1 4 . 1 1 321 321 ALA CB C 321 18.340 18.340 17.311 1.029 25595
614 1 4 . 1 1 321 321 ALA H H 321 8.300 8.300 8.824 -0.524 25595
615 1 4 . 1 1 322 322 MET CA C 322 58.490 58.490 59.056 -0.566 25595
616 1 4 . 1 1 322 322 MET CB C 322 33.030 33.030 31.712 1.318 25595
617 1 4 . 1 1 323 323 MET N N 323 117.800 117.800 118.202 -0.402 25595
618 1 4 . 1 1 323 323 MET HA H 323 4.250 4.250 4.224 0.026 25595
619 1 4 . 1 1 323 323 MET CA C 323 58.660 58.660 58.885 -0.225 25595
620 1 4 . 1 1 323 323 MET CB C 323 32.290 32.290 32.334 -0.044 25595
621 1 4 . 1 1 323 323 MET H H 323 7.910 7.910 7.899 0.011 25595
622 1 4 . 1 1 324 324 ALA N N 324 121.020 121.020 121.802 -0.782 25595
623 1 4 . 1 1 324 324 ALA HA H 324 4.230 4.230 3.940 0.290 25595
624 1 4 . 1 1 324 324 ALA CA C 324 55.140 55.140 54.934 0.206 25595
625 1 4 . 1 1 324 324 ALA CB C 324 18.180 18.180 17.875 0.305 25595
626 1 4 . 1 1 324 324 ALA H H 324 8.180 8.180 7.606 0.574 25595
627 1 4 . 1 1 325 325 ALA N N 325 121.020 121.020 121.415 -0.395 25595
628 1 4 . 1 1 325 325 ALA HA H 325 4.250 4.250 3.847 0.403 25595
629 1 4 . 1 1 325 325 ALA CA C 325 55.120 55.120 55.079 0.041 25595
630 1 4 . 1 1 325 325 ALA CB C 325 18.520 18.520 18.564 -0.044 25595
631 1 4 . 1 1 325 325 ALA H H 325 8.150 8.150 8.237 -0.087 25595
632 1 4 . 1 1 326 326 ALA N N 326 120.870 120.870 120.567 0.303 25595
633 1 4 . 1 1 326 326 ALA HA H 326 4.110 4.110 3.985 0.125 25595
634 1 4 . 1 1 326 326 ALA CA C 326 56.140 56.140 54.884 1.256 25595
635 1 4 . 1 1 326 326 ALA CB C 326 18.450 18.450 18.265 0.185 25595
636 1 4 . 1 1 326 326 ALA H H 326 8.340 8.340 8.170 0.170 25595
637 1 4 . 1 1 327 327 GLN N N 327 116.500 116.500 118.256 -1.756 25595
638 1 4 . 1 1 327 327 GLN HA H 327 3.950 3.950 4.113 -0.163 25595
639 1 4 . 1 1 327 327 GLN CA C 327 60.000 60.000 58.274 1.726 25595
640 1 4 . 1 1 327 327 GLN CB C 327 28.820 28.820 28.739 0.081 25595
641 1 4 . 1 1 327 327 GLN H H 327 8.380 8.380 8.088 0.292 25595
642 1 4 . 1 1 328 328 ALA N N 328 120.800 120.800 121.221 -0.421 25595
643 1 4 . 1 1 328 328 ALA HA H 328 4.280 4.280 4.312 -0.032 25595
644 1 4 . 1 1 328 328 ALA CA C 328 55.120 55.120 53.688 1.432 25595
645 1 4 . 1 1 328 328 ALA CB C 328 18.210 18.210 18.192 0.018 25595
646 1 4 . 1 1 328 328 ALA H H 328 8.020 8.020 8.295 -0.275 25595
647 1 4 . 1 1 329 329 ALA N N 329 121.620 121.620 123.044 -1.424 25595
648 1 4 . 1 1 329 329 ALA HA H 329 4.300 4.300 4.026 0.274 25595
649 1 4 . 1 1 329 329 ALA CA C 329 55.100 55.100 55.314 -0.214 25595
650 1 4 . 1 1 329 329 ALA CB C 329 18.530 18.530 18.558 -0.028 25595
651 1 4 . 1 1 329 329 ALA H H 329 7.920 7.920 8.187 -0.267 25595
652 1 4 . 1 1 330 330 LEU N N 330 118.680 118.680 114.403 4.277 25595
653 1 4 . 1 1 330 330 LEU HA H 330 4.260 4.260 4.387 -0.127 25595
654 1 4 . 1 1 330 330 LEU CA C 330 57.800 57.800 56.025 1.775 25595
655 1 4 . 1 1 330 330 LEU CB C 330 42.060 42.060 41.122 0.938 25595
656 1 4 . 1 1 330 330 LEU H H 330 8.240 8.240 7.603 0.637 25595
657 1 4 . 1 1 331 331 GLN N N 331 117.200 117.200 120.220 -3.020 25595
658 1 4 . 1 1 331 331 GLN HA H 331 4.170 4.170 4.255 -0.085 25595
659 1 4 . 1 1 331 331 GLN CA C 331 58.820 58.820 58.542 0.278 25595
660 1 4 . 1 1 331 331 GLN CB C 331 28.840 28.840 28.232 0.608 25595
661 1 4 . 1 1 331 331 GLN H H 331 8.160 8.160 7.786 0.374 25595
662 1 4 . 1 1 332 332 SER N N 332 113.990 113.990 115.958 -1.968 25595
663 1 4 . 1 1 332 332 SER HA H 332 4.520 4.520 4.104 0.416 25595
664 1 4 . 1 1 332 332 SER CA C 332 60.650 60.650 62.055 -1.405 25595
665 1 4 . 1 1 332 332 SER CB C 332 63.810 63.810 62.649 1.161 25595
666 1 4 . 1 1 332 332 SER H H 332 8.120 8.120 8.547 -0.427 25595
667 1 4 . 1 1 333 333 SER N N 333 116.990 116.990 117.776 -0.786 25595
668 1 4 . 1 1 333 333 SER HA H 333 4.460 4.460 4.053 0.407 25595
669 1 4 . 1 1 333 333 SER CA C 333 61.100 61.100 60.719 0.381 25595
670 1 4 . 1 1 333 333 SER CB C 333 63.840 63.840 62.581 1.259 25595
671 1 4 . 1 1 333 333 SER H H 333 8.130 8.130 7.356 0.774 25595
672 1 4 . 1 1 334 334 TRP N N 334 122.550 122.550 120.669 1.881 25595
673 1 4 . 1 1 334 334 TRP HA H 334 4.580 4.580 4.434 0.146 25595
674 1 4 . 1 1 334 334 TRP CA C 334 59.450 59.450 58.381 1.069 25595
675 1 4 . 1 1 334 334 TRP CB C 334 29.900 29.900 29.542 0.358 25595
676 1 4 . 1 1 334 334 TRP H H 334 8.160 8.160 7.072 1.088 25595
677 1 4 . 1 1 335 335 GLY N N 335 126.520 126.520 106.607 19.913 25595
678 1 4 . 1 1 335 335 GLY CA C 335 46.790 46.790 47.097 -0.307 25595
679 1 4 . 1 1 335 335 GLY H H 335 8.400 8.400 9.004 -0.604 25595
680 1 4 . 1 1 336 336 MET N N 336 119.780 119.780 120.338 -0.558 25595
681 1 4 . 1 1 336 336 MET HA H 336 4.410 4.410 4.106 0.304 25595
682 1 4 . 1 1 336 336 MET CA C 336 57.380 57.380 59.000 -1.620 25595
683 1 4 . 1 1 336 336 MET CB C 336 32.960 32.960 32.398 0.562 25595
684 1 4 . 1 1 336 336 MET H H 336 8.080 8.080 7.491 0.589 25595
685 1 4 . 1 1 337 337 MET N N 337 117.510 117.510 117.474 0.036 25595
686 1 4 . 1 1 337 337 MET HA H 337 4.300 4.300 4.325 -0.025 25595
687 1 4 . 1 1 337 337 MET CA C 337 57.660 57.660 58.599 -0.939 25595
688 1 4 . 1 1 337 337 MET CB C 337 32.520 32.520 32.688 -0.168 25595
689 1 4 . 1 1 337 337 MET H H 337 8.120 8.120 7.700 0.420 25595
690 1 4 . 1 1 338 338 GLY N N 338 126.460 126.460 108.814 17.646 25595
691 1 4 . 1 1 338 338 GLY CA C 338 46.540 46.540 47.357 -0.817 25595
692 1 4 . 1 1 338 338 GLY H H 338 8.180 8.180 8.183 -0.003 25595
693 1 4 . 1 1 339 339 MET N N 339 119.210 119.210 120.963 -1.753 25595
694 1 4 . 1 1 339 339 MET HA H 339 4.410 4.410 4.102 0.308 25595
695 1 4 . 1 1 339 339 MET CA C 339 57.300 57.300 59.454 -2.154 25595
696 1 4 . 1 1 339 339 MET CB C 339 32.540 32.540 32.501 0.039 25595
697 1 4 . 1 1 339 339 MET H H 339 7.910 7.910 8.401 -0.491 25595
698 1 4 . 1 1 340 340 LEU N N 340 119.450 119.450 119.155 0.295 25595
699 1 4 . 1 1 340 340 LEU HA H 340 4.320 4.320 4.148 0.172 25595
700 1 4 . 1 1 340 340 LEU CA C 340 56.230 56.230 57.135 -0.905 25595
701 1 4 . 1 1 340 340 LEU CB C 340 42.420 42.420 41.627 0.793 25595
702 1 4 . 1 1 340 340 LEU H H 340 7.960 7.960 7.574 0.386 25595
703 1 4 . 1 1 341 341 ALA N N 341 121.250 121.250 121.264 -0.014 25595
704 1 4 . 1 1 341 341 ALA HA H 341 4.370 4.370 4.118 0.252 25595
705 1 4 . 1 1 341 341 ALA CA C 341 53.100 53.100 54.677 -1.577 25595
706 1 4 . 1 1 341 341 ALA CB C 341 19.460 19.460 18.330 1.130 25595
707 1 4 . 1 1 341 341 ALA H H 341 7.980 7.980 8.281 -0.301 25595
708 1 4 . 1 1 342 342 SER N N 342 113.590 113.590 114.798 -1.208 25595
709 1 4 . 1 1 342 342 SER HA H 342 4.470 4.470 4.364 0.106 25595
710 1 4 . 1 1 342 342 SER CA C 342 59.150 59.150 61.044 -1.894 25595
711 1 4 . 1 1 342 342 SER CB C 342 64.020 64.020 63.476 0.544 25595
712 1 4 . 1 1 342 342 SER H H 342 8.050 8.050 8.677 -0.627 25595
713 1 4 . 1 1 343 343 GLN N N 343 121.240 121.240 121.127 0.113 25595
714 1 4 . 1 1 343 343 GLN HA H 343 4.400 4.400 4.077 0.323 25595
715 1 4 . 1 1 343 343 GLN CA C 343 56.360 56.360 58.692 -2.332 25595
716 1 4 . 1 1 343 343 GLN CB C 343 29.450 29.450 28.836 0.614 25595
717 1 4 . 1 1 343 343 GLN H H 343 8.280 8.280 7.699 0.581 25595
718 1 4 . 1 1 344 344 GLN N N 344 120.200 120.200 112.882 7.318 25595
719 1 4 . 1 1 344 344 GLN HA H 344 4.400 4.400 4.532 -0.132 25595
720 1 4 . 1 1 344 344 GLN CA C 344 56.370 56.370 55.931 0.439 25595
721 1 4 . 1 1 344 344 GLN CB C 344 29.460 29.460 30.562 -1.103 25595
722 1 4 . 1 1 344 344 GLN H H 344 8.290 8.290 7.841 0.449 25595
723 1 4 . 1 1 345 345 ASN N N 345 119.010 119.010 117.632 1.378 25595
724 1 4 . 1 1 345 345 ASN HA H 345 4.780 4.780 4.947 -0.167 25595
725 1 4 . 1 1 345 345 ASN CA C 345 53.660 53.660 53.144 0.516 25595
726 1 4 . 1 1 345 345 ASN CB C 345 38.970 38.970 39.868 -0.898 25595
727 1 4 . 1 1 345 345 ASN H H 345 8.430 8.430 7.830 0.600 25595
728 1 4 . 1 1 346 346 GLN N N 346 120.680 120.680 116.640 4.040 25595
729 1 4 . 1 1 346 346 GLN HA H 346 4.480 4.480 4.109 0.371 25595
730 1 4 . 1 1 346 346 GLN CA C 346 56.110 56.110 57.001 -0.891 25595
731 1 4 . 1 1 346 346 GLN CB C 346 29.550 29.550 26.324 3.226 25595
732 1 4 . 1 1 346 346 GLN H H 346 8.370 8.370 7.911 0.459 25595
733 1 4 . 1 1 347 347 SER N N 347 116.650 116.650 114.271 2.379 25595
734 1 4 . 1 1 347 347 SER HA H 347 4.580 4.580 4.431 0.149 25595
735 1 4 . 1 1 347 347 SER CA C 347 58.700 58.700 58.857 -0.157 25595
736 1 4 . 1 1 347 347 SER CB C 347 64.280 64.280 63.297 0.983 25595
737 1 4 . 1 1 347 347 SER H H 347 8.350 8.350 7.866 0.484 25595
738 1 4 . 1 1 348 348 GLY N N 348 110.400 110.400 108.132 2.268 25595
739 1 4 . 1 1 348 348 GLY CA C 348 44.930 44.930 44.486 0.444 25595
740 1 4 . 1 1 348 348 GLY H H 348 8.220 8.220 7.522 0.698 25595
741 1 5 . 1 1 308 308 GLY N N 308 109.290 109.290 109.239 0.051 25595
742 1 5 . 1 1 308 308 GLY CA C 308 45.570 45.570 45.417 0.152 25595
743 1 5 . 1 1 308 308 GLY H H 308 8.430 8.430 8.314 0.116 25595
744 1 5 . 1 1 309 309 GLY N N 309 108.720 108.720 108.571 0.149 25595
745 1 5 . 1 1 309 309 GLY CA C 309 45.590 45.590 45.010 0.580 25595
746 1 5 . 1 1 309 309 GLY H H 309 8.310 8.310 7.913 0.397 25595
747 1 5 . 1 1 310 310 GLY N N 310 107.760 107.760 110.597 -2.837 25595
748 1 5 . 1 1 310 310 GLY CA C 310 45.290 45.290 46.623 -1.333 25595
749 1 5 . 1 1 310 310 GLY H H 310 7.980 7.980 8.666 -0.686 25595
750 1 5 . 1 1 311 311 MET N N 311 119.520 119.520 118.741 0.779 25595
751 1 5 . 1 1 311 311 MET HA H 311 4.470 4.470 4.645 -0.175 25595
752 1 5 . 1 1 311 311 MET CA C 311 55.560 55.560 54.811 0.749 25595
753 1 5 . 1 1 311 311 MET CB C 311 33.820 33.820 33.989 -0.169 25595
754 1 5 . 1 1 311 311 MET H H 311 8.370 8.370 8.132 0.238 25595
755 1 5 . 1 1 312 312 ASN N N 312 120.200 120.200 121.363 -1.163 25595
756 1 5 . 1 1 312 312 ASN HA H 312 4.880 4.880 4.619 0.261 25595
757 1 5 . 1 1 312 312 ASN CA C 312 52.900 52.900 54.917 -2.017 25595
758 1 5 . 1 1 312 312 ASN CB C 312 39.490 39.490 38.251 1.239 25595
759 1 5 . 1 1 312 312 ASN H H 312 8.360 8.360 8.851 -0.491 25595
760 1 5 . 1 1 313 313 PHE N N 313 121.510 121.510 117.897 3.613 25595
761 1 5 . 1 1 313 313 PHE HA H 313 4.620 4.620 4.590 0.030 25595
762 1 5 . 1 1 313 313 PHE CA C 313 58.470 58.470 59.062 -0.592 25595
763 1 5 . 1 1 313 313 PHE CB C 313 39.650 39.650 39.703 -0.053 25595
764 1 5 . 1 1 313 313 PHE H H 313 8.540 8.540 8.148 0.392 25595
765 1 5 . 1 1 314 314 GLY N N 314 108.900 108.900 109.254 -0.354 25595
766 1 5 . 1 1 314 314 GLY CA C 314 46.440 46.440 46.524 -0.084 25595
767 1 5 . 1 1 314 314 GLY H H 314 8.510 8.510 8.423 0.087 25595
768 1 5 . 1 1 315 315 ALA N N 315 123.790 123.790 122.274 1.516 25595
769 1 5 . 1 1 315 315 ALA HA H 315 4.340 4.340 4.472 -0.132 25595
770 1 5 . 1 1 315 315 ALA CA C 315 52.770 52.770 53.471 -0.701 25595
771 1 5 . 1 1 315 315 ALA CB C 315 19.320 19.320 19.068 0.252 25595
772 1 5 . 1 1 315 315 ALA H H 315 8.130 8.130 7.470 0.660 25595
773 1 5 . 1 1 316 316 PHE N N 316 116.810 116.810 116.328 0.482 25595
774 1 5 . 1 1 316 316 PHE HA H 316 4.710 4.710 4.845 -0.135 25595
775 1 5 . 1 1 316 316 PHE CA C 316 57.560 57.560 59.011 -1.451 25595
776 1 5 . 1 1 316 316 PHE CB C 316 40.270 40.270 40.429 -0.159 25595
777 1 5 . 1 1 316 316 PHE H H 316 7.820 7.820 8.140 -0.320 25595
778 1 5 . 1 1 317 317 SER N N 317 116.500 116.500 117.820 -1.320 25595
779 1 5 . 1 1 317 317 SER HA H 317 4.730 4.730 4.439 0.291 25595
780 1 5 . 1 1 317 317 SER CA C 317 57.760 57.760 60.198 -2.438 25595
781 1 5 . 1 1 317 317 SER CB C 317 64.700 64.700 62.434 2.265 25595
782 1 5 . 1 1 317 317 SER H H 317 8.130 8.130 8.891 -0.761 25595
783 1 5 . 1 1 318 318 ILE N N 318 121.180 121.180 115.760 5.420 25595
784 1 5 . 1 1 318 318 ILE HA H 318 4.410 4.410 4.316 0.094 25595
785 1 5 . 1 1 318 318 ILE CA C 318 60.370 60.370 61.740 -1.370 25595
786 1 5 . 1 1 318 318 ILE CB C 318 39.080 39.080 39.836 -0.756 25595
787 1 5 . 1 1 318 318 ILE H H 318 8.290 8.290 7.603 0.687 25595
788 1 5 . 1 1 319 319 ASN N N 319 124.880 124.880 118.221 6.659 25595
789 1 5 . 1 1 319 319 ASN HA H 319 5.010 5.010 5.096 -0.086 25595
790 1 5 . 1 1 319 319 ASN CA C 319 52.060 52.060 50.789 1.271 25595
791 1 5 . 1 1 319 319 ASN CB C 319 38.990 38.990 41.333 -2.343 25595
792 1 5 . 1 1 319 319 ASN H H 319 8.160 8.160 7.947 0.213 25595
793 1 5 . 1 1 320 320 PRO CA C 320 65.960 65.960 63.410 2.550 25595
794 1 5 . 1 1 320 320 PRO CB C 320 32.250 32.250 30.428 1.822 25595
795 1 5 . 1 1 321 321 ALA N N 321 121.040 121.040 128.845 -7.805 25595
796 1 5 . 1 1 321 321 ALA HA H 321 4.340 4.340 3.825 0.515 25595
797 1 5 . 1 1 321 321 ALA CA C 321 55.290 55.290 54.444 0.847 25595
798 1 5 . 1 1 321 321 ALA CB C 321 18.340 18.340 17.002 1.338 25595
799 1 5 . 1 1 321 321 ALA H H 321 8.300 8.300 8.787 -0.487 25595
800 1 5 . 1 1 322 322 MET CA C 322 58.490 58.490 58.558 -0.068 25595
801 1 5 . 1 1 322 322 MET CB C 322 33.030 33.030 31.967 1.063 25595
802 1 5 . 1 1 323 323 MET N N 323 117.800 117.800 117.683 0.117 25595
803 1 5 . 1 1 323 323 MET HA H 323 4.250 4.250 4.230 0.020 25595
804 1 5 . 1 1 323 323 MET CA C 323 58.660 58.660 58.999 -0.339 25595
805 1 5 . 1 1 323 323 MET CB C 323 32.290 32.290 32.186 0.104 25595
806 1 5 . 1 1 323 323 MET H H 323 7.910 7.910 7.856 0.054 25595
807 1 5 . 1 1 324 324 ALA N N 324 121.020 121.020 121.928 -0.908 25595
808 1 5 . 1 1 324 324 ALA HA H 324 4.230 4.230 3.971 0.259 25595
809 1 5 . 1 1 324 324 ALA CA C 324 55.140 55.140 54.770 0.369 25595
810 1 5 . 1 1 324 324 ALA CB C 324 18.180 18.180 18.011 0.169 25595
811 1 5 . 1 1 324 324 ALA H H 324 8.180 8.180 7.448 0.732 25595
812 1 5 . 1 1 325 325 ALA N N 325 121.020 121.020 121.628 -0.608 25595
813 1 5 . 1 1 325 325 ALA HA H 325 4.250 4.250 3.843 0.407 25595
814 1 5 . 1 1 325 325 ALA CA C 325 55.120 55.120 55.106 0.014 25595
815 1 5 . 1 1 325 325 ALA CB C 325 18.520 18.520 18.571 -0.051 25595
816 1 5 . 1 1 325 325 ALA H H 325 8.150 8.150 8.269 -0.119 25595
817 1 5 . 1 1 326 326 ALA N N 326 120.870 120.870 120.537 0.333 25595
818 1 5 . 1 1 326 326 ALA HA H 326 4.110 4.110 3.956 0.154 25595
819 1 5 . 1 1 326 326 ALA CA C 326 56.140 56.140 54.921 1.219 25595
820 1 5 . 1 1 326 326 ALA CB C 326 18.450 18.450 18.087 0.363 25595
821 1 5 . 1 1 326 326 ALA H H 326 8.340 8.340 8.244 0.096 25595
822 1 5 . 1 1 327 327 GLN N N 327 116.500 116.500 118.776 -2.276 25595
823 1 5 . 1 1 327 327 GLN HA H 327 3.950 3.950 4.020 -0.070 25595
824 1 5 . 1 1 327 327 GLN CA C 327 60.000 60.000 58.598 1.402 25595
825 1 5 . 1 1 327 327 GLN CB C 327 28.820 28.820 28.948 -0.128 25595
826 1 5 . 1 1 327 327 GLN H H 327 8.380 8.380 8.008 0.372 25595
827 1 5 . 1 1 328 328 ALA N N 328 120.800 120.800 121.059 -0.259 25595
828 1 5 . 1 1 328 328 ALA HA H 328 4.280 4.280 4.225 0.055 25595
829 1 5 . 1 1 328 328 ALA CA C 328 55.120 55.120 53.917 1.203 25595
830 1 5 . 1 1 328 328 ALA CB C 328 18.210 18.210 18.192 0.018 25595
831 1 5 . 1 1 328 328 ALA H H 328 8.020 8.020 8.310 -0.290 25595
832 1 5 . 1 1 329 329 ALA N N 329 121.620 121.620 122.402 -0.782 25595
833 1 5 . 1 1 329 329 ALA HA H 329 4.300 4.300 4.031 0.269 25595
834 1 5 . 1 1 329 329 ALA CA C 329 55.100 55.100 55.095 0.005 25595
835 1 5 . 1 1 329 329 ALA CB C 329 18.530 18.530 18.573 -0.043 25595
836 1 5 . 1 1 329 329 ALA H H 329 7.920 7.920 8.222 -0.302 25595
837 1 5 . 1 1 330 330 LEU N N 330 118.680 118.680 116.505 2.175 25595
838 1 5 . 1 1 330 330 LEU HA H 330 4.260 4.260 4.328 -0.068 25595
839 1 5 . 1 1 330 330 LEU CA C 330 57.800 57.800 56.529 1.271 25595
840 1 5 . 1 1 330 330 LEU CB C 330 42.060 42.060 42.149 -0.089 25595
841 1 5 . 1 1 330 330 LEU H H 330 8.240 8.240 7.736 0.504 25595
842 1 5 . 1 1 331 331 GLN N N 331 117.200 117.200 120.114 -2.914 25595
843 1 5 . 1 1 331 331 GLN HA H 331 4.170 4.170 4.196 -0.026 25595
844 1 5 . 1 1 331 331 GLN CA C 331 58.820 58.820 58.719 0.101 25595
845 1 5 . 1 1 331 331 GLN CB C 331 28.840 28.840 28.263 0.577 25595
846 1 5 . 1 1 331 331 GLN H H 331 8.160 8.160 7.834 0.326 25595
847 1 5 . 1 1 332 332 SER N N 332 113.990 113.990 116.343 -2.353 25595
848 1 5 . 1 1 332 332 SER HA H 332 4.520 4.520 4.160 0.360 25595
849 1 5 . 1 1 332 332 SER CA C 332 60.650 60.650 62.300 -1.650 25595
850 1 5 . 1 1 332 332 SER CB C 332 63.810 63.810 62.676 1.134 25595
851 1 5 . 1 1 332 332 SER H H 332 8.120 8.120 8.582 -0.462 25595
852 1 5 . 1 1 333 333 SER N N 333 116.990 116.990 116.979 0.011 25595
853 1 5 . 1 1 333 333 SER HA H 333 4.460 4.460 4.180 0.280 25595
854 1 5 . 1 1 333 333 SER CA C 333 61.100 61.100 60.592 0.508 25595
855 1 5 . 1 1 333 333 SER CB C 333 63.840 63.840 62.938 0.902 25595
856 1 5 . 1 1 333 333 SER H H 333 8.130 8.130 7.743 0.387 25595
857 1 5 . 1 1 334 334 TRP N N 334 122.550 122.550 121.354 1.196 25595
858 1 5 . 1 1 334 334 TRP HA H 334 4.580 4.580 4.666 -0.086 25595
859 1 5 . 1 1 334 334 TRP CA C 334 59.450 59.450 59.295 0.155 25595
860 1 5 . 1 1 334 334 TRP CB C 334 29.900 29.900 29.587 0.313 25595
861 1 5 . 1 1 334 334 TRP H H 334 8.160 8.160 7.452 0.708 25595
862 1 5 . 1 1 335 335 GLY N N 335 126.520 126.520 108.655 17.865 25595
863 1 5 . 1 1 335 335 GLY CA C 335 46.790 46.790 47.148 -0.358 25595
864 1 5 . 1 1 335 335 GLY H H 335 8.400 8.400 9.162 -0.762 25595
865 1 5 . 1 1 336 336 MET N N 336 119.780 119.780 120.286 -0.506 25595
866 1 5 . 1 1 336 336 MET HA H 336 4.410 4.410 4.227 0.183 25595
867 1 5 . 1 1 336 336 MET CA C 336 57.380 57.380 58.025 -0.645 25595
868 1 5 . 1 1 336 336 MET CB C 336 32.960 32.960 31.968 0.992 25595
869 1 5 . 1 1 336 336 MET H H 336 8.080 8.080 8.166 -0.086 25595
870 1 5 . 1 1 337 337 MET N N 337 117.510 117.510 116.136 1.374 25595
871 1 5 . 1 1 337 337 MET HA H 337 4.300 4.300 4.441 -0.141 25595
872 1 5 . 1 1 337 337 MET CA C 337 57.660 57.660 58.374 -0.714 25595
873 1 5 . 1 1 337 337 MET CB C 337 32.520 32.520 33.330 -0.810 25595
874 1 5 . 1 1 337 337 MET H H 337 8.120 8.120 7.976 0.144 25595
875 1 5 . 1 1 338 338 GLY N N 338 126.460 126.460 108.732 17.728 25595
876 1 5 . 1 1 338 338 GLY CA C 338 46.540 46.540 47.410 -0.870 25595
877 1 5 . 1 1 338 338 GLY H H 338 8.180 8.180 7.846 0.334 25595
878 1 5 . 1 1 339 339 MET N N 339 119.210 119.210 120.227 -1.017 25595
879 1 5 . 1 1 339 339 MET HA H 339 4.410 4.410 4.129 0.281 25595
880 1 5 . 1 1 339 339 MET CA C 339 57.300 57.300 58.889 -1.589 25595
881 1 5 . 1 1 339 339 MET CB C 339 32.540 32.540 32.519 0.021 25595
882 1 5 . 1 1 339 339 MET H H 339 7.910 7.910 8.586 -0.676 25595
883 1 5 . 1 1 340 340 LEU N N 340 119.450 119.450 119.539 -0.089 25595
884 1 5 . 1 1 340 340 LEU HA H 340 4.320 4.320 4.219 0.101 25595
885 1 5 . 1 1 340 340 LEU CA C 340 56.230 56.230 56.836 -0.606 25595
886 1 5 . 1 1 340 340 LEU CB C 340 42.420 42.420 41.819 0.600 25595
887 1 5 . 1 1 340 340 LEU H H 340 7.960 7.960 7.462 0.498 25595
888 1 5 . 1 1 341 341 ALA N N 341 121.250 121.250 121.751 -0.501 25595
889 1 5 . 1 1 341 341 ALA HA H 341 4.370 4.370 4.049 0.321 25595
890 1 5 . 1 1 341 341 ALA CA C 341 53.100 53.100 54.998 -1.899 25595
891 1 5 . 1 1 341 341 ALA CB C 341 19.460 19.460 18.426 1.034 25595
892 1 5 . 1 1 341 341 ALA H H 341 7.980 7.980 8.552 -0.572 25595
893 1 5 . 1 1 342 342 SER N N 342 113.590 113.590 111.843 1.747 25595
894 1 5 . 1 1 342 342 SER HA H 342 4.470 4.470 4.462 0.008 25595
895 1 5 . 1 1 342 342 SER CA C 342 59.150 59.150 59.935 -0.785 25595
896 1 5 . 1 1 342 342 SER CB C 342 64.020 64.020 63.663 0.357 25595
897 1 5 . 1 1 342 342 SER H H 342 8.050 8.050 8.586 -0.536 25595
898 1 5 . 1 1 343 343 GLN N N 343 121.240 121.240 121.107 0.133 25595
899 1 5 . 1 1 343 343 GLN HA H 343 4.400 4.400 4.131 0.269 25595
900 1 5 . 1 1 343 343 GLN CA C 343 56.360 56.360 58.549 -2.189 25595
901 1 5 . 1 1 343 343 GLN CB C 343 29.450 29.450 29.044 0.406 25595
902 1 5 . 1 1 343 343 GLN H H 343 8.280 8.280 7.750 0.530 25595
903 1 5 . 1 1 344 344 GLN N N 344 120.200 120.200 113.092 7.108 25595
904 1 5 . 1 1 344 344 GLN HA H 344 4.400 4.400 4.569 -0.169 25595
905 1 5 . 1 1 344 344 GLN CA C 344 56.370 56.370 55.814 0.556 25595
906 1 5 . 1 1 344 344 GLN CB C 344 29.460 29.460 30.411 -0.951 25595
907 1 5 . 1 1 344 344 GLN H H 344 8.290 8.290 7.745 0.545 25595
908 1 5 . 1 1 345 345 ASN N N 345 119.010 119.010 117.862 1.148 25595
909 1 5 . 1 1 345 345 ASN HA H 345 4.780 4.780 4.877 -0.097 25595
910 1 5 . 1 1 345 345 ASN CA C 345 53.660 53.660 53.163 0.497 25595
911 1 5 . 1 1 345 345 ASN CB C 345 38.970 38.970 39.905 -0.935 25595
912 1 5 . 1 1 345 345 ASN H H 345 8.430 8.430 7.861 0.569 25595
913 1 5 . 1 1 346 346 GLN N N 346 120.680 120.680 114.111 6.569 25595
914 1 5 . 1 1 346 346 GLN HA H 346 4.480 4.480 3.965 0.515 25595
915 1 5 . 1 1 346 346 GLN CA C 346 56.110 56.110 56.891 -0.781 25595
916 1 5 . 1 1 346 346 GLN CB C 346 29.550 29.550 25.737 3.813 25595
917 1 5 . 1 1 346 346 GLN H H 346 8.370 8.370 8.030 0.340 25595
918 1 5 . 1 1 347 347 SER N N 347 116.650 116.650 116.792 -0.142 25595
919 1 5 . 1 1 347 347 SER HA H 347 4.580 4.580 4.382 0.198 25595
920 1 5 . 1 1 347 347 SER CA C 347 58.700 58.700 58.222 0.478 25595
921 1 5 . 1 1 347 347 SER CB C 347 64.280 64.280 62.633 1.647 25595
922 1 5 . 1 1 347 347 SER H H 347 8.350 8.350 7.913 0.437 25595
923 1 5 . 1 1 348 348 GLY N N 348 110.400 110.400 110.617 -0.217 25595
924 1 5 . 1 1 348 348 GLY CA C 348 44.930 44.930 44.431 0.499 25595
925 1 5 . 1 1 348 348 GLY H H 348 8.220 8.220 7.704 0.516 25595
926 1 6 . 1 1 308 308 GLY N N 308 109.290 109.290 107.430 1.860 25595
927 1 6 . 1 1 308 308 GLY CA C 308 45.570 45.570 44.926 0.644 25595
928 1 6 . 1 1 308 308 GLY H H 308 8.430 8.430 7.890 0.540 25595
929 1 6 . 1 1 309 309 GLY N N 309 108.720 108.720 107.490 1.230 25595
930 1 6 . 1 1 309 309 GLY CA C 309 45.590 45.590 44.414 1.175 25595
931 1 6 . 1 1 309 309 GLY H H 309 8.310 8.310 8.747 -0.437 25595
932 1 6 . 1 1 310 310 GLY N N 310 107.760 107.760 106.548 1.212 25595
933 1 6 . 1 1 310 310 GLY CA C 310 45.290 45.290 46.562 -1.272 25595
934 1 6 . 1 1 310 310 GLY H H 310 7.980 7.980 8.674 -0.694 25595
935 1 6 . 1 1 311 311 MET N N 311 119.520 119.520 116.964 2.556 25595
936 1 6 . 1 1 311 311 MET HA H 311 4.470 4.470 4.530 -0.060 25595
937 1 6 . 1 1 311 311 MET CA C 311 55.560 55.560 54.826 0.734 25595
938 1 6 . 1 1 311 311 MET CB C 311 33.820 33.820 33.498 0.322 25595
939 1 6 . 1 1 311 311 MET H H 311 8.370 8.370 7.352 1.018 25595
940 1 6 . 1 1 312 312 ASN N N 312 120.200 120.200 119.240 0.960 25595
941 1 6 . 1 1 312 312 ASN HA H 312 4.880 4.880 4.565 0.315 25595
942 1 6 . 1 1 312 312 ASN CA C 312 52.900 52.900 56.023 -3.123 25595
943 1 6 . 1 1 312 312 ASN CB C 312 39.490 39.490 38.976 0.514 25595
944 1 6 . 1 1 312 312 ASN H H 312 8.360 8.360 8.433 -0.073 25595
945 1 6 . 1 1 313 313 PHE N N 313 121.510 121.510 115.750 5.760 25595
946 1 6 . 1 1 313 313 PHE HA H 313 4.620 4.620 4.527 0.093 25595
947 1 6 . 1 1 313 313 PHE CA C 313 58.470 58.470 58.513 -0.043 25595
948 1 6 . 1 1 313 313 PHE CB C 313 39.650 39.650 40.076 -0.426 25595
949 1 6 . 1 1 313 313 PHE H H 313 8.540 8.540 7.927 0.613 25595
950 1 6 . 1 1 314 314 GLY N N 314 108.900 108.900 109.282 -0.382 25595
951 1 6 . 1 1 314 314 GLY CA C 314 46.440 46.440 46.345 0.095 25595
952 1 6 . 1 1 314 314 GLY H H 314 8.510 8.510 8.850 -0.340 25595
953 1 6 . 1 1 315 315 ALA N N 315 123.790 123.790 122.580 1.210 25595
954 1 6 . 1 1 315 315 ALA HA H 315 4.340 4.340 4.591 -0.251 25595
955 1 6 . 1 1 315 315 ALA CA C 315 52.770 52.770 53.922 -1.152 25595
956 1 6 . 1 1 315 315 ALA CB C 315 19.320 19.320 19.516 -0.196 25595
957 1 6 . 1 1 315 315 ALA H H 315 8.130 8.130 7.975 0.155 25595
958 1 6 . 1 1 316 316 PHE N N 316 116.810 116.810 116.017 0.793 25595
959 1 6 . 1 1 316 316 PHE HA H 316 4.710 4.710 4.917 -0.207 25595
960 1 6 . 1 1 316 316 PHE CA C 316 57.560 57.560 59.137 -1.577 25595
961 1 6 . 1 1 316 316 PHE CB C 316 40.270 40.270 40.330 -0.060 25595
962 1 6 . 1 1 316 316 PHE H H 316 7.820 7.820 8.320 -0.500 25595
963 1 6 . 1 1 317 317 SER N N 317 116.500 116.500 116.412 0.088 25595
964 1 6 . 1 1 317 317 SER HA H 317 4.730 4.730 4.458 0.272 25595
965 1 6 . 1 1 317 317 SER CA C 317 57.760 57.760 59.377 -1.617 25595
966 1 6 . 1 1 317 317 SER CB C 317 64.700 64.700 62.362 2.338 25595
967 1 6 . 1 1 317 317 SER H H 317 8.130 8.130 8.930 -0.800 25595
968 1 6 . 1 1 318 318 ILE N N 318 121.180 121.180 115.043 6.137 25595
969 1 6 . 1 1 318 318 ILE HA H 318 4.410 4.410 4.313 0.097 25595
970 1 6 . 1 1 318 318 ILE CA C 318 60.370 60.370 61.961 -1.591 25595
971 1 6 . 1 1 318 318 ILE CB C 318 39.080 39.080 40.248 -1.168 25595
972 1 6 . 1 1 318 318 ILE H H 318 8.290 8.290 7.647 0.643 25595
973 1 6 . 1 1 319 319 ASN N N 319 124.880 124.880 117.667 7.213 25595
974 1 6 . 1 1 319 319 ASN HA H 319 5.010 5.010 4.981 0.029 25595
975 1 6 . 1 1 319 319 ASN CA C 319 52.060 52.060 51.355 0.705 25595
976 1 6 . 1 1 319 319 ASN CB C 319 38.990 38.990 40.954 -1.964 25595
977 1 6 . 1 1 319 319 ASN H H 319 8.160 8.160 7.741 0.419 25595
978 1 6 . 1 1 320 320 PRO CA C 320 65.960 65.960 63.383 2.577 25595
979 1 6 . 1 1 320 320 PRO CB C 320 32.250 32.250 30.479 1.771 25595
980 1 6 . 1 1 321 321 ALA N N 321 121.040 121.040 128.435 -7.395 25595
981 1 6 . 1 1 321 321 ALA HA H 321 4.340 4.340 3.924 0.416 25595
982 1 6 . 1 1 321 321 ALA CA C 321 55.290 55.290 54.368 0.922 25595
983 1 6 . 1 1 321 321 ALA CB C 321 18.340 18.340 17.006 1.334 25595
984 1 6 . 1 1 321 321 ALA H H 321 8.300 8.300 8.771 -0.471 25595
985 1 6 . 1 1 322 322 MET CA C 322 58.490 58.490 59.043 -0.553 25595
986 1 6 . 1 1 322 322 MET CB C 322 33.030 33.030 32.617 0.413 25595
987 1 6 . 1 1 323 323 MET N N 323 117.800 117.800 117.758 0.042 25595
988 1 6 . 1 1 323 323 MET HA H 323 4.250 4.250 4.328 -0.078 25595
989 1 6 . 1 1 323 323 MET CA C 323 58.660 58.660 56.948 1.712 25595
990 1 6 . 1 1 323 323 MET CB C 323 32.290 32.290 31.750 0.540 25595
991 1 6 . 1 1 323 323 MET H H 323 7.910 7.910 7.845 0.065 25595
992 1 6 . 1 1 324 324 ALA N N 324 121.020 121.020 121.843 -0.823 25595
993 1 6 . 1 1 324 324 ALA HA H 324 4.230 4.230 3.927 0.303 25595
994 1 6 . 1 1 324 324 ALA CA C 324 55.140 55.140 55.071 0.069 25595
995 1 6 . 1 1 324 324 ALA CB C 324 18.180 18.180 17.951 0.229 25595
996 1 6 . 1 1 324 324 ALA H H 324 8.180 8.180 7.625 0.555 25595
997 1 6 . 1 1 325 325 ALA N N 325 121.020 121.020 121.254 -0.234 25595
998 1 6 . 1 1 325 325 ALA HA H 325 4.250 4.250 3.835 0.415 25595
999 1 6 . 1 1 325 325 ALA CA C 325 55.120 55.120 55.112 0.008 25595
1000 1 6 . 1 1 325 325 ALA CB C 325 18.520 18.520 18.544 -0.024 25595
1001 1 6 . 1 1 325 325 ALA H H 325 8.150 8.150 8.291 -0.141 25595
1002 1 6 . 1 1 326 326 ALA N N 326 120.870 120.870 120.485 0.385 25595
1003 1 6 . 1 1 326 326 ALA HA H 326 4.110 4.110 3.981 0.129 25595
1004 1 6 . 1 1 326 326 ALA CA C 326 56.140 56.140 54.844 1.296 25595
1005 1 6 . 1 1 326 326 ALA CB C 326 18.450 18.450 18.068 0.382 25595
1006 1 6 . 1 1 326 326 ALA H H 326 8.340 8.340 7.781 0.559 25595
1007 1 6 . 1 1 327 327 GLN N N 327 116.500 116.500 118.265 -1.765 25595
1008 1 6 . 1 1 327 327 GLN HA H 327 3.950 3.950 4.119 -0.169 25595
1009 1 6 . 1 1 327 327 GLN CA C 327 60.000 60.000 58.013 1.987 25595
1010 1 6 . 1 1 327 327 GLN CB C 327 28.820 28.820 28.986 -0.166 25595
1011 1 6 . 1 1 327 327 GLN H H 327 8.380 8.380 8.241 0.139 25595
1012 1 6 . 1 1 328 328 ALA N N 328 120.800 120.800 120.973 -0.173 25595
1013 1 6 . 1 1 328 328 ALA HA H 328 4.280 4.280 4.159 0.121 25595
1014 1 6 . 1 1 328 328 ALA CA C 328 55.120 55.120 53.683 1.437 25595
1015 1 6 . 1 1 328 328 ALA CB C 328 18.210 18.210 18.237 -0.027 25595
1016 1 6 . 1 1 328 328 ALA H H 328 8.020 8.020 8.298 -0.278 25595
1017 1 6 . 1 1 329 329 ALA N N 329 121.620 121.620 122.545 -0.925 25595
1018 1 6 . 1 1 329 329 ALA HA H 329 4.300 4.300 3.960 0.340 25595
1019 1 6 . 1 1 329 329 ALA CA C 329 55.100 55.100 54.965 0.135 25595
1020 1 6 . 1 1 329 329 ALA CB C 329 18.530 18.530 18.474 0.056 25595
1021 1 6 . 1 1 329 329 ALA H H 329 7.920 7.920 8.104 -0.184 25595
1022 1 6 . 1 1 330 330 LEU N N 330 118.680 118.680 116.670 2.010 25595
1023 1 6 . 1 1 330 330 LEU HA H 330 4.260 4.260 4.064 0.196 25595
1024 1 6 . 1 1 330 330 LEU CA C 330 57.800 57.800 56.303 1.498 25595
1025 1 6 . 1 1 330 330 LEU CB C 330 42.060 42.060 41.890 0.170 25595
1026 1 6 . 1 1 330 330 LEU H H 330 8.240 8.240 7.616 0.624 25595
1027 1 6 . 1 1 331 331 GLN N N 331 117.200 117.200 120.308 -3.108 25595
1028 1 6 . 1 1 331 331 GLN HA H 331 4.170 4.170 3.450 0.720 25595
1029 1 6 . 1 1 331 331 GLN CA C 331 58.820 58.820 58.852 -0.032 25595
1030 1 6 . 1 1 331 331 GLN CB C 331 28.840 28.840 28.423 0.417 25595
1031 1 6 . 1 1 331 331 GLN H H 331 8.160 8.160 7.536 0.624 25595
1032 1 6 . 1 1 332 332 SER N N 332 113.990 113.990 115.754 -1.764 25595
1033 1 6 . 1 1 332 332 SER HA H 332 4.520 4.520 3.992 0.528 25595
1034 1 6 . 1 1 332 332 SER CA C 332 60.650 60.650 62.411 -1.761 25595
1035 1 6 . 1 1 332 332 SER CB C 332 63.810 63.810 62.504 1.306 25595
1036 1 6 . 1 1 332 332 SER H H 332 8.120 8.120 8.341 -0.221 25595
1037 1 6 . 1 1 333 333 SER N N 333 116.990 116.990 116.291 0.699 25595
1038 1 6 . 1 1 333 333 SER HA H 333 4.460 4.460 4.208 0.252 25595
1039 1 6 . 1 1 333 333 SER CA C 333 61.100 61.100 60.646 0.454 25595
1040 1 6 . 1 1 333 333 SER CB C 333 63.840 63.840 62.860 0.980 25595
1041 1 6 . 1 1 333 333 SER H H 333 8.130 8.130 7.494 0.636 25595
1042 1 6 . 1 1 334 334 TRP N N 334 122.550 122.550 120.768 1.782 25595
1043 1 6 . 1 1 334 334 TRP HA H 334 4.580 4.580 4.786 -0.206 25595
1044 1 6 . 1 1 334 334 TRP CA C 334 59.450 59.450 56.208 3.242 25595
1045 1 6 . 1 1 334 334 TRP CB C 334 29.900 29.900 28.955 0.945 25595
1046 1 6 . 1 1 334 334 TRP H H 334 8.160 8.160 7.147 1.013 25595
1047 1 6 . 1 1 335 335 GLY N N 335 126.520 126.520 108.750 17.770 25595
1048 1 6 . 1 1 335 335 GLY CA C 335 46.790 46.790 47.170 -0.380 25595
1049 1 6 . 1 1 335 335 GLY H H 335 8.400 8.400 8.993 -0.593 25595
1050 1 6 . 1 1 336 336 MET N N 336 119.780 119.780 121.148 -1.368 25595
1051 1 6 . 1 1 336 336 MET HA H 336 4.410 4.410 4.140 0.270 25595
1052 1 6 . 1 1 336 336 MET CA C 336 57.380 57.380 58.951 -1.571 25595
1053 1 6 . 1 1 336 336 MET CB C 336 32.960 32.960 31.958 1.002 25595
1054 1 6 . 1 1 336 336 MET H H 336 8.080 8.080 8.322 -0.242 25595
1055 1 6 . 1 1 337 337 MET N N 337 117.510 117.510 117.095 0.415 25595
1056 1 6 . 1 1 337 337 MET HA H 337 4.300 4.300 4.301 -0.001 25595
1057 1 6 . 1 1 337 337 MET CA C 337 57.660 57.660 58.861 -1.201 25595
1058 1 6 . 1 1 337 337 MET CB C 337 32.520 32.520 32.577 -0.057 25595
1059 1 6 . 1 1 337 337 MET H H 337 8.120 8.120 7.759 0.361 25595
1060 1 6 . 1 1 338 338 GLY N N 338 126.460 126.460 108.251 18.209 25595
1061 1 6 . 1 1 338 338 GLY CA C 338 46.540 46.540 47.310 -0.770 25595
1062 1 6 . 1 1 338 338 GLY H H 338 8.180 8.180 8.091 0.089 25595
1063 1 6 . 1 1 339 339 MET N N 339 119.210 119.210 119.816 -0.606 25595
1064 1 6 . 1 1 339 339 MET HA H 339 4.410 4.410 4.234 0.176 25595
1065 1 6 . 1 1 339 339 MET CA C 339 57.300 57.300 58.636 -1.335 25595
1066 1 6 . 1 1 339 339 MET CB C 339 32.540 32.540 32.934 -0.394 25595
1067 1 6 . 1 1 339 339 MET H H 339 7.910 7.910 8.284 -0.374 25595
1068 1 6 . 1 1 340 340 LEU N N 340 119.450 119.450 116.794 2.656 25595
1069 1 6 . 1 1 340 340 LEU HA H 340 4.320 4.320 4.197 0.123 25595
1070 1 6 . 1 1 340 340 LEU CA C 340 56.230 56.230 56.536 -0.306 25595
1071 1 6 . 1 1 340 340 LEU CB C 340 42.420 42.420 42.170 0.249 25595
1072 1 6 . 1 1 340 340 LEU H H 340 7.960 7.960 7.386 0.574 25595
1073 1 6 . 1 1 341 341 ALA N N 341 121.250 121.250 122.271 -1.021 25595
1074 1 6 . 1 1 341 341 ALA HA H 341 4.370 4.370 4.017 0.353 25595
1075 1 6 . 1 1 341 341 ALA CA C 341 53.100 53.100 54.930 -1.830 25595
1076 1 6 . 1 1 341 341 ALA CB C 341 19.460 19.460 18.680 0.780 25595
1077 1 6 . 1 1 341 341 ALA H H 341 7.980 7.980 8.306 -0.326 25595
1078 1 6 . 1 1 342 342 SER N N 342 113.590 113.590 111.996 1.594 25595
1079 1 6 . 1 1 342 342 SER HA H 342 4.470 4.470 4.423 0.047 25595
1080 1 6 . 1 1 342 342 SER CA C 342 59.150 59.150 59.714 -0.564 25595
1081 1 6 . 1 1 342 342 SER CB C 342 64.020 64.020 62.025 1.995 25595
1082 1 6 . 1 1 342 342 SER H H 342 8.050 8.050 8.104 -0.054 25595
1083 1 6 . 1 1 343 343 GLN N N 343 121.240 121.240 120.525 0.715 25595
1084 1 6 . 1 1 343 343 GLN HA H 343 4.400 4.400 4.469 -0.069 25595
1085 1 6 . 1 1 343 343 GLN CA C 343 56.360 56.360 57.982 -1.622 25595
1086 1 6 . 1 1 343 343 GLN CB C 343 29.450 29.450 29.809 -0.359 25595
1087 1 6 . 1 1 343 343 GLN H H 343 8.280 8.280 7.474 0.806 25595
1088 1 6 . 1 1 344 344 GLN N N 344 120.200 120.200 115.881 4.319 25595
1089 1 6 . 1 1 344 344 GLN HA H 344 4.400 4.400 4.475 -0.075 25595
1090 1 6 . 1 1 344 344 GLN CA C 344 56.370 56.370 55.988 0.382 25595
1091 1 6 . 1 1 344 344 GLN CB C 344 29.460 29.460 29.577 -0.117 25595
1092 1 6 . 1 1 344 344 GLN H H 344 8.290 8.290 7.751 0.539 25595
1093 1 6 . 1 1 345 345 ASN N N 345 119.010 119.010 117.935 1.075 25595
1094 1 6 . 1 1 345 345 ASN HA H 345 4.780 4.780 4.749 0.031 25595
1095 1 6 . 1 1 345 345 ASN CA C 345 53.660 53.660 54.202 -0.541 25595
1096 1 6 . 1 1 345 345 ASN CB C 345 38.970 38.970 39.819 -0.849 25595
1097 1 6 . 1 1 345 345 ASN H H 345 8.430 8.430 8.171 0.259 25595
1098 1 6 . 1 1 346 346 GLN N N 346 120.680 120.680 118.124 2.556 25595
1099 1 6 . 1 1 346 346 GLN HA H 346 4.480 4.480 4.498 -0.018 25595
1100 1 6 . 1 1 346 346 GLN CA C 346 56.110 56.110 55.042 1.068 25595
1101 1 6 . 1 1 346 346 GLN CB C 346 29.550 29.550 30.056 -0.506 25595
1102 1 6 . 1 1 346 346 GLN H H 346 8.370 8.370 8.006 0.364 25595
1103 1 6 . 1 1 347 347 SER N N 347 116.650 116.650 112.698 3.952 25595
1104 1 6 . 1 1 347 347 SER HA H 347 4.580 4.580 4.193 0.387 25595
1105 1 6 . 1 1 347 347 SER CA C 347 58.700 58.700 59.077 -0.377 25595
1106 1 6 . 1 1 347 347 SER CB C 347 64.280 64.280 62.810 1.470 25595
1107 1 6 . 1 1 347 347 SER H H 347 8.350 8.350 8.386 -0.036 25595
1108 1 6 . 1 1 348 348 GLY N N 348 110.400 110.400 111.687 -1.287 25595
1109 1 6 . 1 1 348 348 GLY CA C 348 44.930 44.930 43.818 1.112 25595
1110 1 6 . 1 1 348 348 GLY H H 348 8.220 8.220 7.852 0.368 25595
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 39 4.813 -1.142 4.736 25595
2 1 1 "Average Difference" HA 42 0.268 -0.157 0.219 25595
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25595
4 1 1 "Average Difference" CA 41 1.319 0.323 1.295 25595
5 1 1 "Average Difference" CB 34 1.187 -0.350 1.152 25595
6 1 1 "Average Difference" HN 39 0.491 -0.123 0.481 25595
7 1 2 "Average Difference" N 39 4.970 -1.377 4.838 25595
8 1 2 "Average Difference" HA 42 0.245 -0.158 0.189 25595
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25595
10 1 2 "Average Difference" CA 41 1.257 0.082 1.270 25595
11 1 2 "Average Difference" CB 34 0.949 -0.293 0.917 25595
12 1 2 "Average Difference" HN 39 0.494 -0.090 0.492 25595
13 1 3 "Average Difference" N 39 4.799 -1.297 4.681 25595
14 1 3 "Average Difference" HA 42 0.277 -0.186 0.208 25595
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25595
16 1 3 "Average Difference" CA 41 1.309 0.226 1.306 25595
17 1 3 "Average Difference" CB 34 1.134 -0.425 1.068 25595
18 1 3 "Average Difference" HN 39 0.454 -0.072 0.454 25595
19 1 4 "Average Difference" N 39 5.126 -1.547 4.951 25595
20 1 4 "Average Difference" HA 42 0.281 -0.188 0.211 25595
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25595
22 1 4 "Average Difference" CA 41 1.271 0.277 1.255 25595
23 1 4 "Average Difference" CB 34 1.227 -0.518 1.129 25595
24 1 4 "Average Difference" HN 39 0.494 -0.147 0.478 25595
25 1 5 "Average Difference" N 39 4.869 -1.285 4.757 25595
26 1 5 "Average Difference" HA 42 0.274 -0.167 0.220 25595
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25595
28 1 5 "Average Difference" CA 41 1.121 0.196 1.117 25595
29 1 5 "Average Difference" CB 34 1.140 -0.410 1.080 25595
30 1 5 "Average Difference" HN 39 0.469 -0.085 0.467 25595
31 1 6 "Average Difference" N 39 4.866 -1.701 4.619 25595
32 1 6 "Average Difference" HA 42 0.279 -0.150 0.238 25595
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25595
34 1 6 "Average Difference" CA 41 1.339 0.048 1.354 25595
35 1 6 "Average Difference" CB 34 0.935 -0.321 0.892 25595
36 1 6 "Average Difference" HN 39 0.498 -0.133 0.486 25595
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 25595
_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 1 308 308 GLY N N 308 109.290 109.290 109.793 -0.504 25595
2 1 . 1 1 308 308 GLY CA C 308 45.570 45.570 45.074 0.496 25595
3 1 . 1 1 308 308 GLY H H 308 8.430 8.430 8.253 0.177 25595
4 1 . 1 1 309 309 GLY N N 309 108.720 108.720 108.798 -0.078 25595
5 1 . 1 1 309 309 GLY CA C 309 45.590 45.590 44.861 0.729 25595
6 1 . 1 1 309 309 GLY H H 309 8.310 8.310 8.144 0.165 25595
7 1 . 1 1 310 310 GLY N N 310 107.760 107.760 107.955 -0.195 25595
8 1 . 1 1 310 310 GLY CA C 310 45.290 45.290 45.851 -0.561 25595
9 1 . 1 1 310 310 GLY H H 310 7.980 7.980 8.479 -0.499 25595
10 1 . 1 1 311 311 MET N N 311 119.520 119.520 116.825 2.695 25595
11 1 . 1 1 311 311 MET HA H 311 4.470 4.470 4.253 0.217 25595
12 1 . 1 1 311 311 MET CA C 311 55.560 55.560 55.922 -0.362 25595
13 1 . 1 1 311 311 MET CB C 311 33.820 33.820 31.967 1.852 25595
14 1 . 1 1 311 311 MET H H 311 8.370 8.370 8.001 0.369 25595
15 1 . 1 1 312 312 ASN N N 312 120.200 120.200 119.108 1.092 25595
16 1 . 1 1 312 312 ASN HA H 312 4.880 4.880 4.568 0.312 25595
17 1 . 1 1 312 312 ASN CA C 312 52.900 52.900 55.325 -2.425 25595
18 1 . 1 1 312 312 ASN CB C 312 39.490 39.490 38.780 0.710 25595
19 1 . 1 1 312 312 ASN H H 312 8.360 8.360 8.411 -0.051 25595
20 1 . 1 1 313 313 PHE N N 313 121.510 121.510 117.010 4.500 25595
21 1 . 1 1 313 313 PHE HA H 313 4.620 4.620 4.625 -0.005 25595
22 1 . 1 1 313 313 PHE CA C 313 58.470 58.470 58.575 -0.106 25595
23 1 . 1 1 313 313 PHE CB C 313 39.650 39.650 40.107 -0.457 25595
24 1 . 1 1 313 313 PHE H H 313 8.540 8.540 8.010 0.529 25595
25 1 . 1 1 314 314 GLY N N 314 108.900 108.900 108.989 -0.089 25595
26 1 . 1 1 314 314 GLY CA C 314 46.440 46.440 46.402 0.038 25595
27 1 . 1 1 314 314 GLY H H 314 8.510 8.510 8.450 0.060 25595
28 1 . 1 1 315 315 ALA N N 315 123.790 123.790 122.393 1.397 25595
29 1 . 1 1 315 315 ALA HA H 315 4.340 4.340 4.467 -0.127 25595
30 1 . 1 1 315 315 ALA CA C 315 52.770 52.770 53.851 -1.081 25595
31 1 . 1 1 315 315 ALA CB C 315 19.320 19.320 19.200 0.120 25595
32 1 . 1 1 315 315 ALA H H 315 8.130 8.130 7.979 0.151 25595
33 1 . 1 1 316 316 PHE N N 316 116.810 116.810 116.143 0.667 25595
34 1 . 1 1 316 316 PHE HA H 316 4.710 4.710 4.823 -0.113 25595
35 1 . 1 1 316 316 PHE CA C 316 57.560 57.560 59.144 -1.584 25595
36 1 . 1 1 316 316 PHE CB C 316 40.270 40.270 40.142 0.128 25595
37 1 . 1 1 316 316 PHE H H 316 7.820 7.820 8.186 -0.366 25595
38 1 . 1 1 317 317 SER N N 317 116.500 116.500 117.188 -0.688 25595
39 1 . 1 1 317 317 SER HA H 317 4.730 4.730 4.455 0.275 25595
40 1 . 1 1 317 317 SER CA C 317 57.760 57.760 59.740 -1.979 25595
41 1 . 1 1 317 317 SER CB C 317 64.700 64.700 62.208 2.492 25595
42 1 . 1 1 317 317 SER H H 317 8.130 8.130 8.921 -0.791 25595
43 1 . 1 1 318 318 ILE N N 318 121.180 121.180 116.531 4.649 25595
44 1 . 1 1 318 318 ILE HA H 318 4.410 4.410 4.236 0.174 25595
45 1 . 1 1 318 318 ILE CA C 318 60.370 60.370 61.980 -1.610 25595
46 1 . 1 1 318 318 ILE CB C 318 39.080 39.080 40.021 -0.941 25595
47 1 . 1 1 318 318 ILE H H 318 8.290 8.290 7.741 0.549 25595
48 1 . 1 1 319 319 ASN N N 319 124.880 124.880 117.405 7.475 25595
49 1 . 1 1 319 319 ASN HA H 319 5.010 5.010 5.008 0.002 25595
50 1 . 1 1 319 319 ASN CA C 319 52.060 52.060 51.227 0.833 25595
51 1 . 1 1 319 319 ASN CB C 319 38.990 38.990 41.348 -2.358 25595
52 1 . 1 1 319 319 ASN H H 319 8.160 8.160 7.772 0.388 25595
53 1 . 1 1 320 320 PRO CA C 320 65.960 65.960 63.531 2.429 25595
54 1 . 1 1 320 320 PRO CB C 320 32.250 32.250 30.498 1.752 25595
55 1 . 1 1 321 321 ALA N N 321 121.040 121.040 128.903 -7.863 25595
56 1 . 1 1 321 321 ALA HA H 321 4.340 4.340 3.850 0.490 25595
57 1 . 1 1 321 321 ALA CA C 321 55.290 55.290 54.676 0.614 25595
58 1 . 1 1 321 321 ALA CB C 321 18.340 18.340 17.134 1.206 25595
59 1 . 1 1 321 321 ALA H H 321 8.300 8.300 8.894 -0.594 25595
60 1 . 1 1 322 322 MET CA C 322 58.490 58.490 58.898 -0.408 25595
61 1 . 1 1 322 322 MET CB C 322 33.030 33.030 32.277 0.753 25595
62 1 . 1 1 323 323 MET N N 323 117.800 117.800 117.573 0.227 25595
63 1 . 1 1 323 323 MET HA H 323 4.250 4.250 4.294 -0.044 25595
64 1 . 1 1 323 323 MET CA C 323 58.660 58.660 57.898 0.762 25595
65 1 . 1 1 323 323 MET CB C 323 32.290 32.290 31.952 0.339 25595
66 1 . 1 1 323 323 MET H H 323 7.910 7.910 7.834 0.076 25595
67 1 . 1 1 324 324 ALA N N 324 121.020 121.020 122.191 -1.171 25595
68 1 . 1 1 324 324 ALA HA H 324 4.230 4.230 4.006 0.224 25595
69 1 . 1 1 324 324 ALA CA C 324 55.140 55.140 55.039 0.101 25595
70 1 . 1 1 324 324 ALA CB C 324 18.180 18.180 18.060 0.120 25595
71 1 . 1 1 324 324 ALA H H 324 8.180 8.180 7.646 0.534 25595
72 1 . 1 1 325 325 ALA N N 325 121.020 121.020 121.486 -0.466 25595
73 1 . 1 1 325 325 ALA HA H 325 4.250 4.250 3.852 0.398 25595
74 1 . 1 1 325 325 ALA CA C 325 55.120 55.120 55.174 -0.054 25595
75 1 . 1 1 325 325 ALA CB C 325 18.520 18.520 18.555 -0.035 25595
76 1 . 1 1 325 325 ALA H H 325 8.150 8.150 8.351 -0.202 25595
77 1 . 1 1 326 326 ALA N N 326 120.870 120.870 120.336 0.534 25595
78 1 . 1 1 326 326 ALA HA H 326 4.110 4.110 3.991 0.119 25595
79 1 . 1 1 326 326 ALA CA C 326 56.140 56.140 54.869 1.271 25595
80 1 . 1 1 326 326 ALA CB C 326 18.450 18.450 18.197 0.253 25595
81 1 . 1 1 326 326 ALA H H 326 8.340 8.340 8.035 0.305 25595
82 1 . 1 1 327 327 GLN N N 327 116.500 116.500 118.258 -1.758 25595
83 1 . 1 1 327 327 GLN HA H 327 3.950 3.950 4.119 -0.169 25595
84 1 . 1 1 327 327 GLN CA C 327 60.000 60.000 58.236 1.764 25595
85 1 . 1 1 327 327 GLN CB C 327 28.820 28.820 28.937 -0.117 25595
86 1 . 1 1 327 327 GLN H H 327 8.380 8.380 8.028 0.352 25595
87 1 . 1 1 328 328 ALA N N 328 120.800 120.800 121.224 -0.424 25595
88 1 . 1 1 328 328 ALA HA H 328 4.280 4.280 4.240 0.040 25595
89 1 . 1 1 328 328 ALA CA C 328 55.120 55.120 53.828 1.292 25595
90 1 . 1 1 328 328 ALA CB C 328 18.210 18.210 18.245 -0.035 25595
91 1 . 1 1 328 328 ALA H H 328 8.020 8.020 8.349 -0.329 25595
92 1 . 1 1 329 329 ALA N N 329 121.620 121.620 122.645 -1.025 25595
93 1 . 1 1 329 329 ALA HA H 329 4.300 4.300 3.999 0.301 25595
94 1 . 1 1 329 329 ALA CA C 329 55.100 55.100 55.088 0.012 25595
95 1 . 1 1 329 329 ALA CB C 329 18.530 18.530 18.504 0.026 25595
96 1 . 1 1 329 329 ALA H H 329 7.920 7.920 8.136 -0.216 25595
97 1 . 1 1 330 330 LEU N N 330 118.680 118.680 116.177 2.502 25595
98 1 . 1 1 330 330 LEU HA H 330 4.260 4.260 4.167 0.094 25595
99 1 . 1 1 330 330 LEU CA C 330 57.800 57.800 56.339 1.462 25595
100 1 . 1 1 330 330 LEU CB C 330 42.060 42.060 41.777 0.282 25595
101 1 . 1 1 330 330 LEU H H 330 8.240 8.240 7.628 0.612 25595
102 1 . 1 1 331 331 GLN N N 331 117.200 117.200 120.153 -2.953 25595
103 1 . 1 1 331 331 GLN HA H 331 4.170 4.170 3.928 0.243 25595
104 1 . 1 1 331 331 GLN CA C 331 58.820 58.820 58.682 0.137 25595
105 1 . 1 1 331 331 GLN CB C 331 28.840 28.840 28.343 0.497 25595
106 1 . 1 1 331 331 GLN H H 331 8.160 8.160 7.674 0.486 25595
107 1 . 1 1 332 332 SER N N 332 113.990 113.990 115.967 -1.977 25595
108 1 . 1 1 332 332 SER HA H 332 4.520 4.520 4.075 0.445 25595
109 1 . 1 1 332 332 SER CA C 332 60.650 60.650 62.246 -1.596 25595
110 1 . 1 1 332 332 SER CB C 332 63.810 63.810 62.574 1.236 25595
111 1 . 1 1 332 332 SER H H 332 8.120 8.120 8.511 -0.391 25595
112 1 . 1 1 333 333 SER N N 333 116.990 116.990 117.117 -0.127 25595
113 1 . 1 1 333 333 SER HA H 333 4.460 4.460 4.160 0.299 25595
114 1 . 1 1 333 333 SER CA C 333 61.100 61.100 60.696 0.403 25595
115 1 . 1 1 333 333 SER CB C 333 63.840 63.840 62.765 1.075 25595
116 1 . 1 1 333 333 SER H H 333 8.130 8.130 7.525 0.605 25595
117 1 . 1 1 334 334 TRP N N 334 122.550 122.550 120.850 1.700 25595
118 1 . 1 1 334 334 TRP HA H 334 4.580 4.580 4.637 -0.057 25595
119 1 . 1 1 334 334 TRP CA C 334 59.450 59.450 57.633 1.817 25595
120 1 . 1 1 334 334 TRP CB C 334 29.900 29.900 29.279 0.621 25595
121 1 . 1 1 334 334 TRP H H 334 8.160 8.160 7.197 0.963 25595
122 1 . 1 1 335 335 GLY N N 335 126.520 126.520 108.182 18.337 25595
123 1 . 1 1 335 335 GLY CA C 335 46.790 46.790 47.184 -0.394 25595
124 1 . 1 1 335 335 GLY H H 335 8.400 8.400 8.997 -0.597 25595
125 1 . 1 1 336 336 MET N N 336 119.780 119.780 120.821 -1.041 25595
126 1 . 1 1 336 336 MET HA H 336 4.410 4.410 4.124 0.286 25595
127 1 . 1 1 336 336 MET CA C 336 57.380 57.380 58.962 -1.582 25595
128 1 . 1 1 336 336 MET CB C 336 32.960 32.960 32.191 0.768 25595
129 1 . 1 1 336 336 MET H H 336 8.080 8.080 8.023 0.057 25595
130 1 . 1 1 337 337 MET N N 337 117.510 117.510 116.793 0.717 25595
131 1 . 1 1 337 337 MET HA H 337 4.300 4.300 4.360 -0.060 25595
132 1 . 1 1 337 337 MET CA C 337 57.660 57.660 58.661 -1.001 25595
133 1 . 1 1 337 337 MET CB C 337 32.520 32.520 32.608 -0.088 25595
134 1 . 1 1 337 337 MET H H 337 8.120 8.120 7.778 0.342 25595
135 1 . 1 1 338 338 GLY N N 338 126.460 126.460 108.620 17.840 25595
136 1 . 1 1 338 338 GLY CA C 338 46.540 46.540 47.319 -0.779 25595
137 1 . 1 1 338 338 GLY H H 338 8.180 8.180 8.128 0.052 25595
138 1 . 1 1 339 339 MET N N 339 119.210 119.210 120.601 -1.391 25595
139 1 . 1 1 339 339 MET HA H 339 4.410 4.410 4.148 0.262 25595
140 1 . 1 1 339 339 MET CA C 339 57.300 57.300 59.080 -1.780 25595
141 1 . 1 1 339 339 MET CB C 339 32.540 32.540 32.633 -0.093 25595
142 1 . 1 1 339 339 MET H H 339 7.910 7.910 8.439 -0.529 25595
143 1 . 1 1 340 340 LEU N N 340 119.450 119.450 118.515 0.935 25595
144 1 . 1 1 340 340 LEU HA H 340 4.320 4.320 4.128 0.192 25595
145 1 . 1 1 340 340 LEU CA C 340 56.230 56.230 56.995 -0.766 25595
146 1 . 1 1 340 340 LEU CB C 340 42.420 42.420 41.768 0.652 25595
147 1 . 1 1 340 340 LEU H H 340 7.960 7.960 7.468 0.492 25595
148 1 . 1 1 341 341 ALA N N 341 121.250 121.250 121.852 -0.602 25595
149 1 . 1 1 341 341 ALA HA H 341 4.370 4.370 4.026 0.343 25595
150 1 . 1 1 341 341 ALA CA C 341 53.100 53.100 54.963 -1.863 25595
151 1 . 1 1 341 341 ALA CB C 341 19.460 19.460 18.502 0.958 25595
152 1 . 1 1 341 341 ALA H H 341 7.980 7.980 8.369 -0.389 25595
153 1 . 1 1 342 342 SER N N 342 113.590 113.590 112.750 0.840 25595
154 1 . 1 1 342 342 SER HA H 342 4.470 4.470 4.342 0.128 25595
155 1 . 1 1 342 342 SER CA C 342 59.150 59.150 60.389 -1.239 25595
156 1 . 1 1 342 342 SER CB C 342 64.020 64.020 62.946 1.074 25595
157 1 . 1 1 342 342 SER H H 342 8.050 8.050 8.403 -0.353 25595
158 1 . 1 1 343 343 GLN N N 343 121.240 121.240 120.565 0.675 25595
159 1 . 1 1 343 343 GLN HA H 343 4.400 4.400 4.213 0.188 25595
160 1 . 1 1 343 343 GLN CA C 343 56.360 56.360 58.567 -2.207 25595
161 1 . 1 1 343 343 GLN CB C 343 29.450 29.450 29.207 0.243 25595
162 1 . 1 1 343 343 GLN H H 343 8.280 8.280 7.628 0.652 25595
163 1 . 1 1 344 344 GLN N N 344 120.200 120.200 114.426 5.774 25595
164 1 . 1 1 344 344 GLN HA H 344 4.400 4.400 4.500 -0.099 25595
165 1 . 1 1 344 344 GLN CA C 344 56.370 56.370 56.072 0.298 25595
166 1 . 1 1 344 344 GLN CB C 344 29.460 29.460 30.139 -0.680 25595
167 1 . 1 1 344 344 GLN H H 344 8.290 8.290 7.756 0.534 25595
168 1 . 1 1 345 345 ASN N N 345 119.010 119.010 117.989 1.021 25595
169 1 . 1 1 345 345 ASN HA H 345 4.780 4.780 4.823 -0.043 25595
170 1 . 1 1 345 345 ASN CA C 345 53.660 53.660 53.869 -0.209 25595
171 1 . 1 1 345 345 ASN CB C 345 38.970 38.970 40.164 -1.194 25595
172 1 . 1 1 345 345 ASN H H 345 8.430 8.430 8.190 0.240 25595
173 1 . 1 1 346 346 GLN N N 346 120.680 120.680 117.220 3.460 25595
174 1 . 1 1 346 346 GLN HA H 346 4.480 4.480 4.344 0.136 25595
175 1 . 1 1 346 346 GLN CA C 346 56.110 56.110 55.756 0.354 25595
176 1 . 1 1 346 346 GLN CB C 346 29.550 29.550 28.810 0.740 25595
177 1 . 1 1 346 346 GLN H H 346 8.370 8.370 7.986 0.384 25595
178 1 . 1 1 347 347 SER N N 347 116.650 116.650 115.390 1.260 25595
179 1 . 1 1 347 347 SER HA H 347 4.580 4.580 4.497 0.083 25595
180 1 . 1 1 347 347 SER CA C 347 58.700 58.700 58.502 0.198 25595
181 1 . 1 1 347 347 SER CB C 347 64.280 64.280 63.056 1.224 25595
182 1 . 1 1 347 347 SER H H 347 8.350 8.350 8.046 0.303 25595
183 1 . 1 1 348 348 GLY N N 348 110.400 110.400 112.073 -1.673 25595
184 1 . 1 1 348 348 GLY CA C 348 44.930 44.930 44.223 0.707 25595
185 1 . 1 1 348 348 GLY H H 348 8.220 8.220 8.063 0.157 25595
stop_
save_