============================================================================= 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 35.871 -75.396 52.798 -99.200 -91.000 PHE 11 1.000 37.776 -84.498 57.697 -99.200 -91.000 PHE 18 1.000 29.838 -76.648 58.193 -99.200 -91.000 TYR 22 0.840 24.193 -78.121 56.284 -99.200 -91.000 PHE 44 1.000 14.193-100.203 72.921 -99.200 -91.000 HIS 69 0.900 18.942-110.398 70.442 -99.200 -91.000 TYR 74 0.840 13.508 -95.702 62.597 -99.200 -91.000 HIS 83 0.900 19.519 -98.128 53.746 -99.200 -91.000 PHE 95 1.000 27.524-112.406 66.423 -99.200 -91.000 TYR 99 0.840 30.739-115.279 64.645 -99.200 -91.000 PHE 108 1.000 21.596-104.392 65.916 -99.200 -91.000 TYR 115 0.840 24.620 -99.777 56.142 -99.200 -91.000 HIS 119 0.900 25.464 -95.401 54.224 -99.200 -91.000 TYR 122 0.840 32.945 -94.308 50.464 -99.200 -91.000 PHE 128 1.000 21.873 -94.722 57.043 -99.200 -91.000 PHE 134 1.000 21.387 -99.560 68.630 -99.200 -91.000 HIS 143 0.900 24.227-105.061 76.966 -99.200 -91.000 TYR 145 0.840 25.033 -99.876 72.913 -99.200 -91.000 TYR 153 0.840 28.462 -97.457 68.760 -99.200 -91.000 TRP 154 1.040 29.249 -91.818 73.033 -99.200 -91.000 TRP6 154 1.020 31.504 -92.535 73.015 -99.200 -91.000 TYR 156 0.840 23.291 -92.312 75.131 -99.200 -91.000 HIS 178 0.900 14.616 -87.548 91.993 -99.200 -91.000 TYR 196 0.840 0.289 -89.117 77.411 -99.200 -91.000 HIS 199 0.900 2.065 -84.149 71.867 -99.200 -91.000 PHE 207 1.000 0.906 -87.993 72.538 -99.200 -91.000 TRP 213 1.040 7.653-105.019 77.706 -99.200 -91.000 TRP6 213 1.020 7.149-105.296 80.000 -99.200 -91.000 HIS 223 0.900 10.795-105.200 70.528 -99.200 -91.000 PHE 225 1.000 6.028-103.515 68.666 -99.200 -91.000 PHE 237 1.000 3.090 -93.152 86.431 -99.200 -91.000