============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. PHE 8 1.000 71.390 72.528 43.460 -99.200 -91.000 PHE 28 1.000 56.449 79.267 51.350 -99.200 -91.000 TYR 41 0.840 64.790 64.925 66.166 -99.200 -91.000 TYR 43 0.840 66.918 73.000 57.860 -99.200 -91.000 PHE 49 1.000 64.471 76.355 49.751 -99.200 -91.000 TRP 50 1.040 69.434 69.508 48.074 -99.200 -91.000 TRP6 50 1.020 71.052 70.649 49.375 -99.200 -91.000 TYR 51 0.840 64.787 68.531 41.199 -99.200 -91.000 PHE 52 1.000 62.554 73.194 41.494 -99.200 -91.000 PHE 55 1.000 70.040 79.267 51.547 -99.200 -91.000 HIS 71 0.900 60.958 90.158 28.957 -99.200 -91.000 HIS 73 0.900 61.745 88.771 38.720 -99.200 -91.000 PHE 77 1.000 60.659 87.215 49.935 -99.200 -91.000 TRP 88 1.040 75.201 83.919 71.061 -99.200 -91.000 TRP6 88 1.020 74.890 82.667 73.048 -99.200 -91.000 PHE 89 1.000 71.726 80.436 68.424 -99.200 -91.000 PHE 110 1.000 60.958 83.573 56.566 -99.200 -91.000 TYR 118 0.840 51.434 93.625 49.638 -99.200 -91.000 TYR 128 0.840 52.274 77.196 38.312 -99.200 -91.000 HIS 129 0.900 51.349 77.322 48.957 -99.200 -91.000 TYR 134 0.840 57.322 72.278 55.046 -99.200 -91.000 TYR 136 0.840 57.415 77.909 56.841 -99.200 -91.000 TRP 165 1.040 55.284 74.133 43.911 -99.200 -91.000 TRP6 165 1.020 56.537 72.510 45.119 -99.200 -91.000 HIS 170 0.900 56.646 65.594 44.435 -99.200 -91.000 PHE 175 1.000 61.318 59.942 33.490 -99.200 -91.000 HIS 195 0.900 73.927 47.347 54.185 -99.200 -91.000 PHE 207 1.000 73.716 44.132 73.783 -99.200 -91.000 TYR 209 0.840 73.731 48.892 71.437 -99.200 -91.000 HIS 210 0.900 77.878 46.903 70.420 -99.200 -91.000 HIS 216 0.900 73.828 55.196 61.906 -99.200 -91.000 HIS 217 0.900 84.027 55.425 61.892 -99.200 -91.000 PHE 219 1.000 75.405 54.882 56.059 -99.200 -91.000 HIS 222 0.900 83.941 56.041 52.511 -99.200 -91.000 TYR 226 0.840 73.303 64.709 59.610 -99.200 -91.000 TYR 229 0.840 66.914 53.561 55.069 -99.200 -91.000 HIS 243 0.900 59.203 49.713 57.401 -99.200 -91.000 TYR 244 0.840 64.314 45.305 65.963 -99.200 -91.000 TYR 264 0.840 78.218 61.820 48.322 -99.200 -91.000 TYR 267 0.840 70.240 63.372 44.539 -99.200 -91.000 PHE 275 1.000 75.321 40.318 58.181 -99.200 -91.000 PHE 281 1.000 73.335 32.613 54.654 -99.200 -91.000 TYR 289 0.840 70.714 34.994 51.276 -99.200 -91.000 TYR 303 0.840 62.567 45.951 38.231 -99.200 -91.000 HIS 343 0.900 52.365 36.570 46.879 -99.200 -91.000 PHE 346 1.000 54.465 32.141 54.663 -99.200 -91.000 PHE 347 1.000 57.534 40.237 48.318 -99.200 -91.000 HIS 349 0.900 58.707 43.913 51.460 -99.200 -91.000 HIS 353 0.900 62.044 52.272 48.038 -99.200 -91.000 TRP 354 1.040 58.765 55.935 41.669 -99.200 -91.000 TRP6 354 1.020 59.168 54.665 39.692 -99.200 -91.000 TYR 365 0.840 55.851 53.986 43.147 -99.200 -91.000 TYR 386 0.840 60.183 39.987 55.356 -99.200 -91.000 TYR 397 0.840 61.920 25.712 56.260 -99.200 -91.000