============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 5 1.000 -15.192 15.082 24.008 -99.200 -91.000 HIS 6 0.900 -11.005 16.081 21.481 -99.200 -91.000 HIS 45 0.900 -10.317 23.322 27.971 -99.200 -91.000 PHE 48 1.000 -5.869 19.700 21.246 -99.200 -91.000 TRP 51 1.040 -3.429 33.119 24.638 -99.200 -91.000 TRP6 51 1.020 -2.975 35.206 25.654 -99.200 -91.000 PHE 87 1.000 -7.483 25.500 10.088 -99.200 -91.000 HIS 99 0.900 21.590 22.457 0.054 -99.200 -91.000 HIS 120 0.900 -6.918 7.886 10.264 -99.200 -91.000 PHE 121 1.000 -8.518 14.398 8.018 -99.200 -91.000 PHE 126 1.000 -5.748 15.316 -2.040 -99.200 -91.000 PHE 132 1.000 0.038 30.508 -6.162 -99.200 -91.000 HIS 150 0.900 17.379 27.492 1.959 -99.200 -91.000 PHE 160 1.000 12.928 14.756 17.902 -99.200 -91.000 TYR 161 0.840 13.833 10.372 19.722 -99.200 -91.000 TYR 167 0.840 20.207 4.488 12.383 -99.200 -91.000 TYR 170 0.840 15.320 0.643 25.612 -99.200 -91.000 PHE 178 1.000 9.980 5.672 8.376 -99.200 -91.000 TRP 185 1.040 12.761 10.904 3.485 -99.200 -91.000 TRP6 185 1.020 11.343 9.890 1.881 -99.200 -91.000 TYR 193 0.840 13.558 13.520 8.460 -99.200 -91.000 HIS 232 0.900 15.380 36.203 11.285 -99.200 -91.000