============================================================================= 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. TRP 7 1.040 19.902 10.096 6.302 -99.200 -91.000 TRP6 7 1.020 20.844 8.771 8.007 -99.200 -91.000 TYR 22 0.840 24.172 -0.500 20.381 -99.200 -91.000 TRP 27 1.040 21.061 9.601 19.564 -99.200 -91.000 TRP6 27 1.020 19.610 8.346 18.181 -99.200 -91.000 HIS 33 0.900 26.902 -0.969 15.414 -99.200 -91.000 TRP 46 1.040 14.457 7.863 16.948 -99.200 -91.000 TRP6 46 1.020 13.593 5.748 16.341 -99.200 -91.000 HIS 47 0.900 14.913 12.165 18.683 -99.200 -91.000 HIS 49 0.900 11.493 9.772 7.171 -99.200 -91.000 TRP 59 1.040 -0.588 18.719 15.365 -99.200 -91.000 TRP6 59 1.020 1.450 18.808 14.172 -99.200 -91.000 TYR 68 0.840 0.662 31.436 6.937 -99.200 -91.000 HIS 71 0.900 3.194 25.783 2.184 -99.200 -91.000 TRP 78 1.040 5.509 17.940 3.131 -99.200 -91.000 TRP6 78 1.020 4.229 19.775 3.902 -99.200 -91.000 HIS 96 0.900 -1.575 20.175 12.232 -99.200 -91.000 TRP 97 1.040 -0.090 22.165 4.128 -99.200 -91.000 TRP6 97 1.020 0.344 24.423 4.684 -99.200 -91.000