============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 4 0.840 35.140 -75.616 53.381 -99.200 -91.000 PHE 11 1.000 37.208 -84.778 58.200 -99.200 -91.000 PHE 18 1.000 29.095 -76.888 58.817 -99.200 -91.000 TYR 22 0.840 23.445 -78.548 56.890 -99.200 -91.000 PHE 44 1.000 13.946-100.948 73.445 -99.200 -91.000 HIS 69 0.900 18.809-111.229 70.631 -99.200 -91.000 TYR 74 0.840 13.053 -96.455 63.158 -99.200 -91.000 HIS 83 0.900 18.957 -98.653 54.141 -99.200 -91.000 PHE 95 1.000 27.352-112.808 66.412 -99.200 -91.000 TYR 99 0.840 30.794-115.718 64.800 -99.200 -91.000 PHE 108 1.000 21.278-104.981 66.297 -99.200 -91.000 TYR 115 0.840 24.090-100.147 56.822 -99.200 -91.000 HIS 119 0.900 25.052 -95.731 54.790 -99.200 -91.000 TYR 122 0.840 32.483 -94.496 50.911 -99.200 -91.000 PHE 128 1.000 21.402 -95.267 57.422 -99.200 -91.000 PHE 134 1.000 21.160-100.286 69.181 -99.200 -91.000 HIS 143 0.900 24.259-105.789 77.419 -99.200 -91.000 TYR 145 0.840 24.818-100.652 73.413 -99.200 -91.000 TYR 153 0.840 28.038 -97.983 69.143 -99.200 -91.000 TRP 154 1.040 28.929 -92.423 73.492 -99.200 -91.000 TRP6 154 1.020 31.207 -93.059 73.445 -99.200 -91.000 TYR 156 0.840 22.956 -92.990 75.699 -99.200 -91.000 HIS 178 0.900 14.100 -88.518 92.571 -99.200 -91.000 TYR 196 0.840 -0.004 -90.167 78.174 -99.200 -91.000 HIS 199 0.900 1.516 -85.163 72.670 -99.200 -91.000 PHE 207 1.000 0.611 -89.015 73.489 -99.200 -91.000 TRP 213 1.040 7.536-105.955 78.344 -99.200 -91.000 TRP6 213 1.020 7.074-106.160 80.656 -99.200 -91.000 HIS 223 0.900 10.610-106.025 71.018 -99.200 -91.000 PHE 225 1.000 5.694-104.297 69.357 -99.200 -91.000 PHE 237 1.000 3.047 -94.071 87.254 -99.200 -91.000