============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. TRP 14 1.040 12.032 -4.635 11.636 -99.200 -91.000 TRP6 14 1.020 10.186 -5.217 10.274 -99.200 -91.000 PHE 19 1.000 20.822 -8.755 25.880 -99.200 -91.000 TRP 37 1.040 25.000 -10.148 5.548 -99.200 -91.000 TRP6 37 1.020 27.037 -9.247 6.313 -99.200 -91.000 HIS 43 0.900 26.234 5.029 18.791 -99.200 -91.000 TYR 47 0.840 31.659 7.938 21.820 -99.200 -91.000 TRP 49 1.040 31.003 5.582 27.798 -99.200 -91.000 TRP6 49 1.020 28.735 5.395 27.195 -99.200 -91.000 PHE 53 1.000 31.609 -4.100 23.998 -99.200 -91.000 HIS 65 0.900 7.241 -6.784 21.258 -99.200 -91.000