============================================================================= 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 3 0.840 19.344 26.674 17.567 -99.200 -91.000 PHE 4 1.000 16.048 24.021 11.818 -99.200 -91.000 PHE 9 1.000 22.560 35.671 6.637 -99.200 -91.000 HIS 17 0.900 24.572 57.519 1.047 -99.200 -91.000 TRP 25 1.040 23.305 56.648 13.419 -99.200 -91.000 TRP6 25 1.020 23.745 54.343 13.676 -99.200 -91.000 TYR 31 0.840 21.326 54.911 18.307 -99.200 -91.000 TYR 34 0.840 27.434 50.047 17.881 -99.200 -91.000 PHE 37 1.000 27.419 43.298 20.942 -99.200 -91.000 PHE 52 1.000 33.620 36.455 36.833 -99.200 -91.000 TYR 54 0.840 36.746 35.563 30.636 -99.200 -91.000 TRP 73 1.040 48.247 37.567 7.651 -99.200 -91.000 TRP6 73 1.020 45.944 37.849 7.224 -99.200 -91.000 PHE 86 1.000 51.932 63.919 8.196 -99.200 -91.000 TYR 91 0.840 46.591 50.305 7.888 -99.200 -91.000 TRP 94 1.040 48.010 43.820 8.797 -99.200 -91.000 TRP6 94 1.020 45.980 44.895 9.344 -99.200 -91.000 TYR 95 0.840 42.066 47.475 4.571 -99.200 -91.000 HIS 113 0.900 24.109 26.296 11.174 -99.200 -91.000 TYR 124 0.840 28.671 45.340 9.714 -99.200 -91.000 TYR 137 0.840 41.315 52.101 15.186 -99.200 -91.000 HIS 141 0.900 38.619 53.304 10.843 -99.200 -91.000 PHE 145 1.000 36.788 43.229 16.696 -99.200 -91.000 PHE 148 1.000 33.927 40.024 13.221 -99.200 -91.000 PHE 168 1.000 36.112 41.319 31.748 -99.200 -91.000 PHE 171 1.000 36.673 46.390 22.104 -99.200 -91.000 TYR 174 0.840 39.451 45.876 17.470 -99.200 -91.000 TYR 185 0.840 51.927 48.333 9.777 -99.200 -91.000 PHE 195 1.000 45.425 55.965 17.334 -99.200 -91.000 PHE 197 1.000 33.882 57.622 23.992 -99.200 -91.000 PHE 200 1.000 39.668 55.314 27.188 -99.200 -91.000 TRP 202 1.040 31.781 47.571 26.864 -99.200 -91.000 TRP6 202 1.020 32.512 46.894 24.712 -99.200 -91.000 HIS 210 0.900 38.791 48.419 43.047 -99.200 -91.000 TYR 212 0.840 40.811 48.294 48.955 -99.200 -91.000 HIS 217 0.900 43.144 56.089 43.672 -99.200 -91.000 PHE 218 1.000 41.224 58.348 34.512 -99.200 -91.000 HIS 228 0.900 49.459 46.623 33.126 -99.200 -91.000 TYR 231 0.840 40.214 46.635 37.842 -99.200 -91.000 PHE 233 1.000 39.023 54.682 32.347 -99.200 -91.000 PHE 239 1.000 48.641 52.593 22.485 -99.200 -91.000 PHE 248 1.000 46.160 61.228 31.249 -99.200 -91.000 HIS 251 0.900 49.488 62.910 27.553 -99.200 -91.000 TRP 256 1.040 43.731 67.183 34.350 -99.200 -91.000 TRP6 256 1.020 45.316 66.326 35.807 -99.200 -91.000 TRP 264 1.040 36.426 53.751 39.094 -99.200 -91.000 TRP6 264 1.020 37.675 54.375 37.208 -99.200 -91.000 TYR 275 0.840 30.414 54.783 21.593 -99.200 -91.000 PHE 283 1.000 27.954 63.125 7.430 -99.200 -91.000 HIS 288 0.900 33.992 53.012 8.885 -99.200 -91.000 PHE 289 1.000 26.955 50.879 12.137 -99.200 -91.000 PHE 291 1.000 23.372 51.956 8.582 -99.200 -91.000 HIS 298 0.900 14.095 47.427 9.594 -99.200 -91.000