============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TYR 17 0.840 74.832 47.294 28.885 -99.200 -91.000 HIS 25 0.900 77.989 50.910 43.293 -99.200 -91.000 PHE 42 1.000 68.162 65.363 23.870 -99.200 -91.000 PHE 55 1.000 69.754 50.835 29.111 -99.200 -91.000 HIS 59 0.900 65.342 48.088 24.320 -99.200 -91.000 HIS 71 0.900 68.947 58.275 37.426 -99.200 -91.000 TYR 74 0.840 68.438 52.931 47.032 -99.200 -91.000 PHE 88 1.000 62.067 62.897 35.358 -99.200 -91.000 TYR 89 0.840 62.821 65.872 25.332 -99.200 -91.000 TYR 94 0.840 68.485 77.169 23.058 -99.200 -91.000 HIS 100 0.900 68.827 65.603 41.379 -99.200 -91.000 HIS 108 0.900 54.211 72.373 47.385 -99.200 -91.000 PHE 115 1.000 49.848 76.128 37.308 -99.200 -91.000 HIS 121 0.900 51.887 68.790 33.800 -99.200 -91.000 PHE 135 1.000 70.786 73.841 32.705 -99.200 -91.000 PHE 142 1.000 71.129 83.224 28.176 -99.200 -91.000 HIS 144 0.900 73.301 85.080 22.841 -99.200 -91.000 TYR 145 0.840 71.228 78.274 17.795 -99.200 -91.000 PHE 153 1.000 80.452 77.348 32.234 -99.200 -91.000 TYR 167 0.840 72.120 71.282 43.106 -99.200 -91.000 HIS 176 0.900 73.358 75.272 22.319 -99.200 -91.000 PHE 181 1.000 73.734 71.588 37.354 -99.200 -91.000 TYR 204 0.840 87.488 66.652 28.038 -99.200 -91.000 PHE 218 1.000 86.460 58.252 29.116 -99.200 -91.000 PHE 220 1.000 90.121 61.558 39.979 -99.200 -91.000 TYR 231 0.840 79.044 74.156 26.855 -99.200 -91.000 PHE 239 1.000 84.287 76.676 26.705 -99.200 -91.000 PHE 254 1.000 74.046 56.100 54.894 -99.200 -91.000 TYR 256 0.840 83.662 59.486 51.857 -99.200 -91.000 TYR 258 0.840 74.661 51.502 53.474 -99.200 -91.000 PHE 259 1.000 73.993 54.852 47.635 -99.200 -91.000 PHE 265 1.000 91.370 56.010 45.106 -99.200 -91.000 TYR 272 0.840 90.618 48.357 51.232 -99.200 -91.000 TRP 290 1.040 81.383 46.353 74.740 -99.200 -91.000 TRP6 290 1.020 80.360 45.405 72.815 -99.200 -91.000 TYR 320 0.840 87.154 38.231 58.702 -99.200 -91.000 PHE 324 1.000 75.380 35.536 60.175 -99.200 -91.000 TYR 329 0.840 73.667 33.869 41.607 -99.200 -91.000 PHE 334 1.000 57.364 33.472 42.140 -99.200 -91.000 PHE 357 1.000 77.118 32.337 63.479 -99.200 -91.000 TYR 391 0.840 78.968 40.136 73.715 -99.200 -91.000 PHE 401 1.000 68.369 63.609 64.275 -99.200 -91.000 TYR 405 0.840 70.870 67.755 52.471 -99.200 -91.000 HIS 418 0.900 62.960 60.046 65.927 -99.200 -91.000 PHE 436 1.000 74.152 52.032 67.435 -99.200 -91.000 PHE 456 1.000 83.999 64.282 56.098 -99.200 -91.000 PHE 461 1.000 75.881 58.919 60.317 -99.200 -91.000 TYR 465 0.840 68.247 67.428 58.210 -99.200 -91.000 TYR 474 0.840 61.619 69.089 53.017 -99.200 -91.000 PHE 477 1.000 55.709 68.098 50.267 -99.200 -91.000