============================================================================= 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. PHE 21 1.000 19.092 62.705 29.233 -99.200 -91.000 HIS 23 0.900 14.426 53.501 21.991 -99.200 -91.000 HIS 25 0.900 10.057 54.776 25.489 -99.200 -91.000 PHE 38 1.000 16.528 48.849 19.417 -99.200 -91.000 HIS 57 0.900 43.057 50.369 29.210 -99.200 -91.000 PHE 61 1.000 27.463 45.500 24.415 -99.200 -91.000 HIS 73 0.900 5.743 48.740 22.972 -99.200 -91.000 TYR 77 0.840 9.547 38.366 15.615 -99.200 -91.000 HIS 92 0.900 34.615 43.326 22.842 -99.200 -91.000 PHE 96 1.000 20.084 41.710 23.017 -99.200 -91.000 HIS 97 0.900 20.867 38.292 31.894 -99.200 -91.000 PHE 121 1.000 16.051 39.547 21.810 -99.200 -91.000 PHE 129 1.000 13.466 40.381 30.254 -99.200 -91.000 TYR 131 0.840 22.509 45.797 26.252 -99.200 -91.000 HIS 132 0.900 26.175 39.244 30.472 -99.200 -91.000 TRP 141 1.040 39.203 41.852 31.866 -99.200 -91.000 TRP6 141 1.020 40.234 41.808 29.749 -99.200 -91.000 HIS 142 0.900 35.355 40.983 26.830 -99.200 -91.000 HIS 160 0.900 -2.266 47.878 32.302 -99.200 -91.000 TYR 169 0.840 7.361 55.343 31.192 -99.200 -91.000 TYR 173 0.840 15.729 60.971 34.141 -99.200 -91.000 TYR 174 0.840 20.125 51.408 31.696 -99.200 -91.000 PHE 180 1.000 34.042 50.590 36.117 -99.200 -91.000 TYR 181 0.840 35.271 43.938 40.978 -99.200 -91.000 TYR 190 0.840 42.184 53.173 42.965 -99.200 -91.000 TYR 193 0.840 47.228 48.220 34.329 -99.200 -91.000 TYR 200 0.840 42.789 38.288 31.914 -99.200 -91.000 HIS 214 0.900 37.151 53.339 41.883 -99.200 -91.000 PHE 217 1.000 23.899 54.655 41.117 -99.200 -91.000 HIS 242 0.900 19.948 50.936 40.087 -99.200 -91.000 HIS 252 0.900 16.062 54.977 50.482 -99.200 -91.000 HIS 257 0.900 8.431 57.234 50.573 -99.200 -91.000 TYR 260 0.840 1.915 51.822 41.742 -99.200 -91.000 TRP 262 1.040 6.401 46.067 37.744 -99.200 -91.000 TRP6 262 1.020 6.020 48.391 37.425 -99.200 -91.000 PHE 267 1.000 7.774 46.043 32.945 -99.200 -91.000 TRP 278 1.040 14.046 49.748 44.016 -99.200 -91.000 TRP6 278 1.020 13.418 51.864 44.911 -99.200 -91.000 PHE 279 1.000 19.152 42.167 46.886 -99.200 -91.000 PHE 289 1.000 4.505 55.251 37.612 -99.200 -91.000 TYR 290 0.840 8.316 59.194 44.723 -99.200 -91.000 PHE 292 1.000 10.663 62.696 41.834 -99.200 -91.000 TYR 298 0.840 13.129 64.100 45.974 -99.200 -91.000 TYR 300 0.840 18.032 55.611 41.995 -99.200 -91.000 HIS 303 0.900 20.085 53.344 52.644 -99.200 -91.000 PHE 309 1.000 25.776 59.014 50.316 -99.200 -91.000 HIS 316 0.900 23.334 64.476 44.187 -99.200 -91.000 PHE 317 1.000 15.624 61.217 39.873 -99.200 -91.000 TRP 323 1.040 8.000 72.095 52.044 -99.200 -91.000 TRP6 323 1.020 9.608 70.380 51.814 -99.200 -91.000