============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 11 0.840 71.623 116.204 59.660 -99.200 -91.000 HIS 24 0.900 61.216 116.646 74.720 -99.200 -91.000 PHE 40 1.000 74.410 127.246 55.128 -99.200 -91.000 TYR 48 0.840 67.482 120.022 50.368 -99.200 -91.000 PHE 49 1.000 63.434 116.610 52.971 -99.200 -91.000 TYR 51 0.840 65.452 121.675 64.348 -99.200 -91.000 HIS 62 0.900 55.437 110.452 56.002 -99.200 -91.000 TRP 70 1.040 60.807 100.183 52.912 -99.200 -91.000 TRP6 70 1.020 59.909 100.857 50.828 -99.200 -91.000 TYR 86 0.840 73.478 92.695 60.644 -99.200 -91.000 PHE 89 1.000 68.124 92.224 57.472 -99.200 -91.000 PHE 93 1.000 64.963 99.156 55.637 -99.200 -91.000 PHE 98 1.000 64.933 84.047 54.201 -99.200 -91.000 PHE 99 1.000 62.475 83.975 46.726 -99.200 -91.000 HIS 117 0.900 64.743 77.483 40.930 -99.200 -91.000 PHE 159 1.000 74.830 93.130 50.262 -99.200 -91.000 PHE 177 1.000 79.043 94.576 54.277 -99.200 -91.000 PHE 186 1.000 92.629 110.600 58.790 -99.200 -91.000