============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TYR 44 0.840 40.794 76.786 75.739 -99.200 -91.000 HIS 50 0.900 30.721 65.760 90.611 -99.200 -91.000 PHE 51 1.000 37.710 62.986 93.063 -99.200 -91.000 PHE 58 1.000 31.957 70.285 78.029 -99.200 -91.000 PHE 75 1.000 41.461 59.186 88.340 -99.200 -91.000 PHE 87 1.000 51.570 75.394 73.729 -99.200 -91.000 HIS 90 0.900 44.812 66.519 77.820 -99.200 -91.000 PHE 95 1.000 44.402 54.201 85.279 -99.200 -91.000 TYR 106 0.840 47.650 60.699 77.616 -99.200 -91.000 PHE 110 1.000 44.793 67.938 72.749 -99.200 -91.000 PHE 129 1.000 49.169 65.471 94.329 -99.200 -91.000 TYR 134 0.840 44.570 71.163 94.288 -99.200 -91.000 TRP 136 1.040 48.224 78.622 88.539 -99.200 -91.000 TRP6 136 1.020 49.533 79.108 86.628 -99.200 -91.000 PHE 149 1.000 55.112 65.517 85.195 -99.200 -91.000 TYR 150 0.840 53.975 68.303 93.864 -99.200 -91.000 PHE 152 1.000 51.422 63.522 98.308 -99.200 -91.000 PHE 168 1.000 60.204 62.775 81.941 -99.200 -91.000 TYR 178 0.840 53.053 69.862 99.214 -99.200 -91.000 HIS 179 0.900 49.260 74.632 94.662 -99.200 -91.000 PHE 181 1.000 52.153 79.151 92.169 -99.200 -91.000 PHE 188 1.000 60.030 74.682 89.245 -99.200 -91.000 PHE 189 1.000 59.983 82.358 92.642 -99.200 -91.000 HIS 191 0.900 52.245 77.451 100.482 -99.200 -91.000 PHE 202 1.000 64.202 73.480 84.934 -99.200 -91.000 HIS 212 0.900 62.787 76.457 101.388 -99.200 -91.000 PHE 216 1.000 53.500 83.201 101.671 -99.200 -91.000 HIS 217 0.900 51.278 80.323 105.139 -99.200 -91.000 PHE 222 1.000 44.570 75.830 108.515 -99.200 -91.000 HIS 226 0.900 41.394 75.028 93.247 -99.200 -91.000 TYR 229 0.840 52.435 82.805 88.238 -99.200 -91.000 TRP 238 1.040 47.848 80.694 97.862 -99.200 -91.000 TRP6 238 1.020 49.777 79.515 97.093 -99.200 -91.000 TYR 241 0.840 40.841 76.756 104.630 -99.200 -91.000 HIS 246 0.900 49.320 85.636 103.170 -99.200 -91.000 PHE 257 1.000 56.977 86.703 100.463 -99.200 -91.000 TRP 273 1.040 29.091 88.148 104.664 -99.200 -91.000 TRP6 273 1.020 28.393 87.927 102.384 -99.200 -91.000 TRP 278 1.040 38.015 73.144 91.923 -99.200 -91.000 TRP6 278 1.020 38.467 71.422 93.565 -99.200 -91.000 TYR 283 0.840 46.365 90.448 89.123 -99.200 -91.000 HIS 284 0.900 41.654 92.816 83.413 -99.200 -91.000 TYR 291 0.840 37.809 90.653 88.900 -99.200 -91.000 TRP 300 1.040 36.181 73.408 110.344 -99.200 -91.000 TRP6 300 1.020 38.392 73.706 109.490 -99.200 -91.000 HIS 302 0.900 37.483 74.068 103.626 -99.200 -91.000 PHE 308 1.000 26.083 87.383 98.124 -99.200 -91.000 PHE 323 1.000 30.165 92.911 90.263 -99.200 -91.000 HIS 327 0.900 22.277 81.440 87.885 -99.200 -91.000 TYR 343 0.840 34.808 83.907 80.844 -99.200 -91.000 TYR 353 0.840 24.804 80.125 85.703 -99.200 -91.000 HIS 355 0.900 27.380 86.959 86.085 -99.200 -91.000 HIS 371 0.900 28.454 63.247 83.174 -99.200 -91.000