============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 80.768 27.212 25.212 -99.200 -91.000 TRP6 14 1.020 80.924 26.801 22.899 -99.200 -91.000 PHE 19 1.000 69.370 26.496 41.444 -99.200 -91.000 TRP 37 1.040 86.619 15.484 33.821 -99.200 -91.000 TRP6 37 1.020 87.528 15.702 35.995 -99.200 -91.000 HIS 43 0.900 85.735 34.081 42.644 -99.200 -91.000 TYR 47 0.840 87.140 35.448 48.668 -99.200 -91.000 TRP 49 1.040 83.080 37.920 50.331 -99.200 -91.000 TRP6 49 1.020 82.544 37.911 48.055 -99.200 -91.000 PHE 53 1.000 78.748 27.220 48.342 -99.200 -91.000 HIS 65 0.900 68.137 31.768 26.130 -99.200 -91.000 TYR 70 0.840 63.022 21.229 35.496 -99.200 -91.000 TYR 84 0.840 89.369 16.386 41.464 -99.200 -91.000 HIS 86 0.900 97.012 25.405 40.711 -99.200 -91.000 TYR 89 0.840 91.456 30.039 45.341 -99.200 -91.000 TRP 91 1.040 92.043 31.235 50.541 -99.200 -91.000 TRP6 91 1.020 92.220 32.309 52.622 -99.200 -91.000 PHE 110 1.000 78.967 15.991 24.990 -99.200 -91.000 TYR 113 0.840 68.490 22.988 23.017 -99.200 -91.000 HIS 115 0.900 79.672 19.999 20.894 -99.200 -91.000 TYR 132 0.840 94.390 39.187 17.417 -99.200 -91.000 TRP 139 1.040 71.732 32.773 33.098 -99.200 -91.000 TRP6 139 1.020 72.980 30.757 32.756 -99.200 -91.000 TRP 146 1.040 75.520 53.815 43.194 -99.200 -91.000 TRP6 146 1.020 74.901 55.019 41.295 -99.200 -91.000 PHE 184 1.000 92.375 36.482 29.467 -99.200 -91.000 TYR 188 0.840 84.966 47.824 23.707 -99.200 -91.000 PHE 207 1.000 87.821 37.079 26.892 -99.200 -91.000 PHE 213 1.000 94.519 30.980 12.272 -99.200 -91.000 TRP 217 1.040 82.736 29.233 18.812 -99.200 -91.000 TRP6 217 1.020 82.571 31.572 19.236 -99.200 -91.000 TYR 218 0.840 90.683 26.293 20.201 -99.200 -91.000 TRP 225 1.040 91.025 39.696 39.889 -99.200 -91.000 TRP6 225 1.020 91.780 41.949 39.857 -99.200 -91.000 TYR 235 0.840 91.319 48.282 30.944 -99.200 -91.000 PHE 237 1.000 92.923 42.521 35.874 -99.200 -91.000 TYR 238 0.840 87.556 38.319 31.698 -99.200 -91.000 HIS 240 0.900 97.124 33.033 30.019 -99.200 -91.000 PHE 242 1.000 99.033 27.239 26.619 -99.200 -91.000 TRP 247 1.040 95.817 21.562 38.948 -99.200 -91.000 TRP6 247 1.020 93.573 22.245 38.800 -99.200 -91.000 PHE 255 1.000 92.140 12.482 40.992 -99.200 -91.000