============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 41.475 15.351 7.255 -99.200 -91.000 TRP6 9 1.020 42.257 13.403 8.336 -99.200 -91.000 TYR 10 0.840 45.260 17.074 -0.323 -99.200 -91.000 PHE 17 1.000 36.872 16.106 4.772 -99.200 -91.000 TYR 31 0.840 35.525 15.964 -1.041 -99.200 -91.000 TYR 42 0.840 31.540 21.327 -6.096 -99.200 -91.000 TYR 48 0.840 33.317 16.036 16.356 -99.200 -91.000 TRP 63 1.040 32.349 14.664 4.174 -99.200 -91.000 TRP6 63 1.020 33.883 13.130 5.062 -99.200 -91.000 TRP 67 1.040 28.865 16.000 -5.599 -99.200 -91.000 TRP6 67 1.020 31.061 16.498 -4.969 -99.200 -91.000 TYR 71 0.840 33.043 29.409 -9.963 -99.200 -91.000 HIS 75 0.900 21.231 19.571 -12.181 -99.200 -91.000 TRP 80 1.040 33.029 10.840 1.144 -99.200 -91.000 TRP6 80 1.020 32.239 12.752 0.047 -99.200 -91.000 TYR 84 0.840 40.710 11.344 13.786 -99.200 -91.000 TRP 96 1.040 32.502 7.165 -1.971 -99.200 -91.000 TRP6 96 1.020 31.338 6.840 -4.006 -99.200 -91.000 TRP 108 1.040 16.582 1.210 -12.858 -99.200 -91.000 TRP6 108 1.020 18.614 0.118 -13.275 -99.200 -91.000 HIS 115 0.900 36.406 1.174 -1.396 -99.200 -91.000 PHE 118 1.000 38.542 11.580 2.356 -99.200 -91.000