============================================================================= 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 3 1.000 -13.668 3.429 8.641 -99.200 -91.000 HIS 15 0.900 -12.064 9.762 1.984 -99.200 -91.000 TYR 20 0.840 -21.210 11.252 -6.215 -99.200 -91.000 TYR 23 0.840 -29.290 7.745 -3.657 -99.200 -91.000 TRP 28 1.040 -23.893 7.760 0.219 -99.200 -91.000 TRP6 28 1.020 -23.380 6.384 -1.640 -99.200 -91.000 PHE 34 1.000 -28.773 -2.853 8.058 -99.200 -91.000 PHE 38 1.000 -21.124 0.795 10.383 -99.200 -91.000 TYR 53 0.840 -13.252 -8.702 -4.012 -99.200 -91.000 TRP 62 1.040 -21.905 -5.652 -13.777 -99.200 -91.000 TRP6 62 1.020 -21.929 -5.805 -16.139 -99.200 -91.000 TRP 63 1.040 -19.653 -2.112 -10.313 -99.200 -91.000 TRP6 63 1.020 -20.131 -0.294 -11.750 -99.200 -91.000 TRP 108 1.040 -23.921 -0.676 -2.749 -99.200 -91.000 TRP6 108 1.020 -23.767 1.333 -3.995 -99.200 -91.000 TRP 111 1.040 -29.910 2.526 0.161 -99.200 -91.000 TRP6 111 1.020 -31.499 3.023 -1.521 -99.200 -91.000 TRP 123 1.040 -28.550 3.614 9.749 -99.200 -91.000 TRP6 123 1.020 -27.526 1.878 10.993 -99.200 -91.000