============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 8 1.000 27.509 4.227 17.312 -99.200 -91.000 TYR 27 0.840 19.369 15.223 10.320 -99.200 -91.000 HIS 48 0.900 32.678 16.178 13.017 -99.200 -91.000 HIS 100 0.900 30.012 11.980 26.285 -99.200 -91.000 PHE 112 1.000 12.663 -13.110 10.552 -99.200 -91.000 TRP 115 1.040 6.250 -10.204 10.592 -99.200 -91.000 TRP6 115 1.020 7.860 -10.427 8.895 -99.200 -91.000 HIS 131 0.900 18.537 -8.302 14.461 -99.200 -91.000 HIS 135 0.900 12.825 -4.132 21.081 -99.200 -91.000 TYR 145 0.840 14.692 0.910 21.084 -99.200 -91.000 HIS 152 0.900 14.830 -9.073 1.242 -99.200 -91.000 TYR 162 0.840 8.989 5.144 4.352 -99.200 -91.000 HIS 178 0.900 18.751 3.538 -1.866 -99.200 -91.000 HIS 182 0.900 12.085 9.424 3.537 -99.200 -91.000 PHE 183 1.000 10.109 4.758 10.222 -99.200 -91.000 TYR 193 0.840 6.616 6.471 13.808 -99.200 -91.000 HIS 196 0.900 4.411 3.557 20.607 -99.200 -91.000 TYR 199 0.840 6.306 -4.772 8.588 -99.200 -91.000 HIS 202 0.900 6.083 1.926 -1.497 -99.200 -91.000 TYR 204 0.840 9.731 -0.293 -2.490 -99.200 -91.000