============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 13 0.840 73.602 35.425 40.335 -99.200 -91.000 HIS 20 0.900 87.037 48.600 43.466 -99.200 -91.000 TYR 29 0.840 81.229 45.097 47.521 -99.200 -91.000 TYR 32 0.840 68.862 38.413 41.051 -99.200 -91.000 HIS 43 0.900 59.813 45.032 51.019 -99.200 -91.000 PHE 46 1.000 68.365 42.746 57.245 -99.200 -91.000 TYR 48 0.840 72.350 45.756 53.305 -99.200 -91.000 TYR 58 0.840 79.017 30.006 44.413 -99.200 -91.000 TRP 68 1.040 79.659 22.123 56.518 -99.200 -91.000 TRP6 68 1.020 78.510 21.651 54.507 -99.200 -91.000 TYR 77 0.840 82.820 26.181 60.767 -99.200 -91.000 PHE 99 1.000 70.199 26.924 51.559 -99.200 -91.000 PHE 103 1.000 67.962 34.299 45.378 -99.200 -91.000 TYR 132 0.840 81.977 15.067 30.299 -99.200 -91.000 PHE 143 1.000 72.543 15.970 39.698 -99.200 -91.000 PHE 144 1.000 77.133 15.932 36.595 -99.200 -91.000 PHE 152 1.000 72.180 13.236 35.002 -99.200 -91.000 TRP 156 1.040 81.572 11.232 40.665 -99.200 -91.000 TRP6 156 1.020 82.529 13.347 41.120 -99.200 -91.000 TYR 158 0.840 85.736 12.775 31.376 -99.200 -91.000 PHE 167 1.000 86.139 17.717 39.005 -99.200 -91.000 TYR 185 0.840 86.281 22.234 30.200 -99.200 -91.000 PHE 187 1.000 82.069 25.534 33.957 -99.200 -91.000 TYR 196 0.840 76.225 37.797 33.062 -99.200 -91.000 TYR 217 0.840 71.120 30.300 42.135 -99.200 -91.000 TRP 251 1.040 71.250 43.467 37.980 -99.200 -91.000 TRP6 251 1.020 73.121 44.913 37.819 -99.200 -91.000 TRP 252 1.040 70.858 36.302 33.649 -99.200 -91.000 TRP6 252 1.020 70.982 36.841 35.947 -99.200 -91.000 TYR 253 0.840 67.653 37.278 29.552 -99.200 -91.000