============================================================================= 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 7.164 23.372 22.692 -99.200 -91.000 TYR 20 0.840 20.043 21.761 35.840 -99.200 -91.000 TRP 28 1.040 19.163 19.965 28.405 -99.200 -91.000 TRP6 28 1.020 18.432 18.254 29.843 -99.200 -91.000 TRP 34 1.040 17.129 11.400 17.646 -99.200 -91.000 TRP6 34 1.020 16.489 10.177 15.724 -99.200 -91.000 TYR 38 0.840 12.016 18.671 18.233 -99.200 -91.000 TYR 45 0.840 1.475 -0.549 29.695 -99.200 -91.000 TYR 54 0.840 2.774 9.182 32.020 -99.200 -91.000 PHE 57 1.000 12.745 17.395 28.075 -99.200 -91.000 TYR 63 0.840 13.364 3.909 38.476 -99.200 -91.000 TRP 64 1.040 12.874 9.540 36.673 -99.200 -91.000 TRP6 64 1.020 14.490 10.396 38.193 -99.200 -91.000 HIS 78 0.900 8.578 17.966 44.042 -99.200 -91.000 TRP 109 1.040 15.435 10.603 29.306 -99.200 -91.000 TRP6 109 1.020 16.285 12.432 30.542 -99.200 -91.000 TRP 112 1.040 22.144 12.415 25.327 -99.200 -91.000 TRP6 112 1.020 24.233 11.645 26.090 -99.200 -91.000 TYR 124 0.840 19.274 17.267 16.808 -99.200 -91.000