============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 4 1.000 -0.914 83.997 -9.142 -99.200 -91.000 TYR 6 0.840 1.079 85.314 -2.158 -99.200 -91.000 PHE 7 1.000 8.475 88.341 -0.925 -99.200 -91.000 TYR 9 0.840 4.372 90.989 3.093 -99.200 -91.000 HIS 19 0.900 -0.684 73.575 0.598 -99.200 -91.000 PHE 27 1.000 9.957 76.425 -1.198 -99.200 -91.000 PHE 28 1.000 9.642 79.356 -8.772 -99.200 -91.000 PHE 36 1.000 9.277 97.190 -0.802 -99.200 -91.000 PHE 40 1.000 4.064 92.154 12.214 -99.200 -91.000 TRP 51 1.040 -4.646 86.636 11.131 -99.200 -91.000 TRP6 51 1.020 -3.810 84.482 11.684 -99.200 -91.000 HIS 52 0.900 -9.676 88.336 17.796 -99.200 -91.000 PHE 59 1.000 7.468 101.104 6.424 -99.200 -91.000 TRP 67 1.040 15.856 87.346 3.862 -99.200 -91.000 TRP6 67 1.020 16.792 86.003 2.162 -99.200 -91.000 TRP 71 1.040 3.620 80.541 -0.893 -99.200 -91.000 TRP6 71 1.020 3.902 78.329 -0.112 -99.200 -91.000 TYR 92 0.840 -2.923 93.180 3.366 -99.200 -91.000 TYR 112 0.840 -2.239 90.444 -2.612 -99.200 -91.000 TYR 117 0.840 0.364 100.482 7.871 -99.200 -91.000 TYR 126 0.840 -0.529 87.898 11.468 -99.200 -91.000 TYR 143 0.840 12.997 88.112 7.730 -99.200 -91.000 TYR 155 0.840 -7.154 87.984 21.388 -99.200 -91.000