============================================================================= 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 35.692 -75.538 52.893 -99.200 -91.000 PHE 11 1.000 37.677 -84.509 57.870 -99.200 -91.000 PHE 18 1.000 29.656 -76.621 58.402 -99.200 -91.000 TYR 22 0.840 23.929 -78.157 56.485 -99.200 -91.000 PHE 44 1.000 14.145-100.260 73.267 -99.200 -91.000 HIS 69 0.900 18.921-110.446 70.614 -99.200 -91.000 TYR 74 0.840 13.324 -95.802 62.901 -99.200 -91.000 HIS 83 0.900 19.128 -98.328 53.767 -99.200 -91.000 PHE 95 1.000 27.462-112.383 66.561 -99.200 -91.000 TYR 99 0.840 30.663-115.282 64.854 -99.200 -91.000 PHE 108 1.000 21.445-104.409 66.186 -99.200 -91.000 TYR 115 0.840 24.415 -99.818 56.343 -99.200 -91.000 HIS 119 0.900 25.272 -95.389 54.436 -99.200 -91.000 TYR 122 0.840 32.691 -94.343 50.653 -99.200 -91.000 PHE 128 1.000 21.610 -94.800 57.281 -99.200 -91.000 PHE 134 1.000 21.265 -99.596 68.899 -99.200 -91.000 HIS 143 0.900 24.155-105.146 77.184 -99.200 -91.000 TYR 145 0.840 24.949 -99.904 73.131 -99.200 -91.000 TYR 153 0.840 28.337 -97.511 69.005 -99.200 -91.000 TRP 154 1.040 29.174 -91.846 73.214 -99.200 -91.000 TRP6 154 1.020 31.401 -92.650 73.193 -99.200 -91.000 TYR 156 0.840 23.201 -92.343 75.441 -99.200 -91.000 HIS 178 0.900 14.623 -87.621 92.288 -99.200 -91.000 TYR 196 0.840 0.180 -89.132 77.810 -99.200 -91.000 HIS 199 0.900 1.974 -84.253 72.255 -99.200 -91.000 PHE 207 1.000 0.720 -88.089 72.897 -99.200 -91.000 TRP 213 1.040 7.529-105.106 78.018 -99.200 -91.000 TRP6 213 1.020 7.047-105.351 80.325 -99.200 -91.000 HIS 223 0.900 10.727-105.273 70.843 -99.200 -91.000 PHE 225 1.000 5.936-103.595 69.047 -99.200 -91.000 PHE 237 1.000 3.038 -93.305 86.811 -99.200 -91.000