============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 9 1.000 40.509 13.097 -2.003 -99.200 -91.000 HIS 14 0.900 24.769 14.770 -6.992 -99.200 -91.000 PHE 16 1.000 22.619 10.648 -2.302 -99.200 -91.000 TRP 26 1.040 21.257 5.016 1.344 -99.200 -91.000 TRP6 26 1.020 23.033 5.816 2.690 -99.200 -91.000 HIS 32 0.900 21.548 22.045 -6.183 -99.200 -91.000 TYR 38 0.840 39.273 12.052 3.292 -99.200 -91.000 PHE 39 1.000 39.481 21.232 4.781 -99.200 -91.000 TYR 40 0.840 47.005 17.362 11.340 -99.200 -91.000 TYR 47 0.840 45.068 13.264 10.048 -99.200 -91.000 PHE 69 1.000 33.873 5.444 1.625 -99.200 -91.000 PHE 76 1.000 25.893 5.648 -1.603 -99.200 -91.000 TRP 79 1.040 31.900 8.446 7.252 -99.200 -91.000 TRP6 79 1.020 31.754 9.769 5.304 -99.200 -91.000 TYR 88 0.840 27.941 12.282 7.834 -99.200 -91.000 PHE 92 1.000 32.927 9.518 -4.060 -99.200 -91.000 HIS 97 0.900 36.084 11.319 -10.026 -99.200 -91.000 PHE 101 1.000 35.666 10.228 0.714 -99.200 -91.000 PHE 105 1.000 37.102 6.550 6.060 -99.200 -91.000