============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 3 0.840 33.687 -77.247 43.736 -99.200 -91.000 HIS 6 0.900 34.358 -77.711 48.964 -99.200 -91.000 PHE 10 1.000 49.587 -82.578 45.706 -99.200 -91.000 TYR 17 0.840 44.049 -75.399 52.156 -99.200 -91.000 TYR 21 0.840 40.022 -77.414 56.208 -99.200 -91.000 PHE 23 1.000 47.089 -84.194 61.092 -99.200 -91.000 TYR 62 0.840 36.822 -91.574 72.880 -99.200 -91.000 PHE 64 1.000 38.607 -98.589 70.234 -99.200 -91.000 PHE 95 1.000 51.932-110.032 60.137 -99.200 -91.000 TYR 97 0.840 44.471-118.212 57.430 -99.200 -91.000 TYR 99 0.840 52.245-112.438 55.849 -99.200 -91.000 TYR 101 0.840 55.672-112.877 61.970 -99.200 -91.000 TYR 119 0.840 41.344 -94.254 54.107 -99.200 -91.000 TYR 124 0.840 36.395 -94.406 46.739 -99.200 -91.000 PHE 134 1.000 47.700 -98.756 65.734 -99.200 -91.000 TYR 146 0.840 56.761 -98.289 66.218 -99.200 -91.000 TYR 153 0.840 55.178 -88.590 60.603 -99.200 -91.000 TYR 154 0.840 54.880 -96.072 60.561 -99.200 -91.000 TYR 157 0.840 55.845 -90.440 68.398 -99.200 -91.000 HIS 176 0.900 61.389 -88.718 83.136 -99.200 -91.000 PHE 177 1.000 61.487 -89.946 78.353 -99.200 -91.000 HIS 183 0.900 64.456 -97.645 79.448 -99.200 -91.000 TRP 188 1.040 51.620-104.034 85.493 -99.200 -91.000 TRP6 188 1.020 49.640-103.009 86.293 -99.200 -91.000 PHE 194 1.000 57.347 -90.995 84.268 -99.200 -91.000 HIS 198 0.900 56.604 -86.988 84.858 -99.200 -91.000 PHE 207 1.000 44.012 -86.251 85.398 -99.200 -91.000 PHE 222 1.000 46.214-102.673 75.577 -99.200 -91.000 PHE 223 1.000 47.247-105.506 82.064 -99.200 -91.000