============================================================================= 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 34.369 -76.419 42.158 -99.200 -91.000 HIS 6 0.900 35.073 -77.491 47.750 -99.200 -91.000 PHE 10 1.000 50.392 -82.339 45.057 -99.200 -91.000 TYR 17 0.840 45.154 -74.965 51.586 -99.200 -91.000 TYR 21 0.840 41.083 -76.991 55.190 -99.200 -91.000 PHE 23 1.000 48.166 -83.698 60.130 -99.200 -91.000 TYR 62 0.840 37.383 -90.925 71.975 -99.200 -91.000 PHE 64 1.000 38.897 -98.279 69.808 -99.200 -91.000 PHE 95 1.000 52.331-109.846 59.828 -99.200 -91.000 TYR 97 0.840 44.747-118.041 56.734 -99.200 -91.000 TYR 99 0.840 52.274-112.279 55.414 -99.200 -91.000 TYR 101 0.840 55.969-112.711 61.681 -99.200 -91.000 TYR 119 0.840 42.015 -94.216 53.278 -99.200 -91.000 TYR 124 0.840 37.778 -94.536 46.018 -99.200 -91.000 PHE 134 1.000 48.323 -98.366 65.208 -99.200 -91.000 TYR 145 0.840 57.495 -98.113 65.664 -99.200 -91.000 TYR 152 0.840 56.230 -88.162 59.837 -99.200 -91.000 TYR 153 0.840 56.048 -96.021 59.571 -99.200 -91.000 TYR 156 0.840 56.564 -89.836 67.649 -99.200 -91.000 HIS 175 0.900 62.383 -88.461 82.760 -99.200 -91.000 PHE 176 1.000 62.504 -89.928 78.210 -99.200 -91.000 HIS 182 0.900 65.332 -97.563 79.130 -99.200 -91.000 TRP 187 1.040 52.443-104.331 85.179 -99.200 -91.000 TRP6 187 1.020 50.337-103.476 85.842 -99.200 -91.000 PHE 193 1.000 58.275 -90.635 84.136 -99.200 -91.000 HIS 197 0.900 57.401 -86.724 84.283 -99.200 -91.000 PHE 206 1.000 44.459 -85.810 84.995 -99.200 -91.000 PHE 221 1.000 46.398-103.035 75.117 -99.200 -91.000 PHE 222 1.000 47.363-105.395 81.631 -99.200 -91.000