============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TRP 10 1.040 59.442 72.112 -17.347 -99.200 -91.000 TRP6 10 1.020 59.601 73.287 -15.297 -99.200 -91.000 PHE 15 1.000 54.189 74.470 -14.983 -99.200 -91.000 TRP 18 1.040 43.810 69.686 -14.572 -99.200 -91.000 TRP6 18 1.020 41.553 69.456 -13.877 -99.200 -91.000 TRP 21 1.040 39.759 67.407 -19.203 -99.200 -91.000 TRP6 21 1.020 40.309 65.376 -20.291 -99.200 -91.000 PHE 36 1.000 23.062 76.299 -9.612 -99.200 -91.000 TRP 39 1.040 32.844 72.467 -14.518 -99.200 -91.000 TRP6 39 1.020 30.928 73.327 -15.628 -99.200 -91.000 TRP 40 1.040 37.078 75.267 -5.832 -99.200 -91.000 TRP6 40 1.020 37.767 73.658 -4.218 -99.200 -91.000 TRP 47 1.040 32.187 78.997 -16.592 -99.200 -91.000 TRP6 47 1.020 33.659 80.541 -17.631 -99.200 -91.000 PHE 60 1.000 39.881 81.500 -14.012 -99.200 -91.000 TRP 61 1.040 44.699 84.887 -7.711 -99.200 -91.000 TRP6 61 1.020 45.939 83.398 -6.352 -99.200 -91.000 HIS 78 0.900 49.656 91.345 3.449 -99.200 -91.000 PHE 98 1.000 47.734 78.459 -11.544 -99.200 -91.000 PHE 103 1.000 45.942 85.005 -21.123 -99.200 -91.000 HIS 115 0.900 37.495 89.396 -1.210 -99.200 -91.000 HIS 117 0.900 41.442 90.854 1.194 -99.200 -91.000 HIS 120 0.900 38.960 85.982 -2.811 -99.200 -91.000 HIS 136 0.900 29.009 89.450 -24.830 -99.200 -91.000 PHE 139 1.000 36.182 92.666 -17.204 -99.200 -91.000 TRP 149 1.040 38.392 93.951 -12.926 -99.200 -91.000 TRP6 149 1.020 36.288 93.552 -11.905 -99.200 -91.000 TRP 152 1.040 45.114 95.673 -12.753 -99.200 -91.000 TRP6 152 1.020 43.816 93.915 -11.854 -99.200 -91.000 PHE 181 1.000 27.924 89.159 6.579 -99.200 -91.000 TYR 196 0.840 47.253 102.454 15.375 -99.200 -91.000 TYR 211 0.840 29.033 89.268 -6.390 -99.200 -91.000 TYR 221 0.840 25.461 84.213 0.956 -99.200 -91.000 HIS 222 0.900 32.144 83.375 -4.451 -99.200 -91.000 HIS 227 0.900 37.278 87.246 8.847 -99.200 -91.000 TYR 228 0.840 28.669 82.727 11.968 -99.200 -91.000 TYR 231 0.840 22.599 91.852 8.173 -99.200 -91.000 TYR 232 0.840 27.702 84.222 6.708 -99.200 -91.000 HIS 235 0.900 23.207 88.590 3.596 -99.200 -91.000 TYR 239 0.840 17.349 87.964 -0.541 -99.200 -91.000 TYR 248 0.840 37.595 74.144 6.876 -99.200 -91.000 PHE 279 1.000 34.100 79.385 -2.240 -99.200 -91.000 HIS 280 0.900 40.519 81.471 0.142 -99.200 -91.000 HIS 281 0.900 38.244 73.177 0.960 -99.200 -91.000 TRP 284 1.040 46.540 81.371 0.384 -99.200 -91.000 TRP6 284 1.020 47.953 81.948 -1.436 -99.200 -91.000 PHE 287 1.000 45.560 80.756 6.213 -99.200 -91.000 TRP 298 1.040 25.603 67.736 8.421 -99.200 -91.000 TRP6 298 1.020 25.319 65.606 7.421 -99.200 -91.000 TYR 307 0.840 23.534 71.753 12.103 -99.200 -91.000 PHE 309 1.000 23.662 72.633 7.559 -99.200 -91.000 PHE 312 1.000 29.978 68.307 -3.773 -99.200 -91.000 PHE 313 1.000 32.877 67.497 3.289 -99.200 -91.000 TRP 314 1.040 33.290 70.696 -6.496 -99.200 -91.000 TRP6 314 1.020 32.