============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 20 0.900 -32.774 -15.363 8.194 -99.200 -91.000 HIS 21 0.900 -37.389 -9.348 11.172 -99.200 -91.000 PHE 22 1.000 -32.792 -12.890 14.904 -99.200 -91.000 PHE 33 1.000 -34.393 -12.903 46.450 -99.200 -91.000 PHE 51 1.000 -28.494 -15.780 13.383 -99.200 -91.000 PHE 53 1.000 -31.138 -20.002 19.625 -99.200 -91.000 PHE 63 1.000 -34.484 -14.458 36.742 -99.200 -91.000 TYR 66 0.840 -25.461 -8.445 42.539 -99.200 -91.000 HIS 69 0.900 -19.544 -9.277 50.146 -99.200 -91.000 TYR 73 0.840 -28.499 0.093 38.922 -99.200 -91.000 PHE 74 1.000 -27.872 -5.597 37.472 -99.200 -91.000 PHE 78 1.000 -37.179 -5.713 37.965 -99.200 -91.000 TYR 82 0.840 -32.308 -4.597 34.528 -99.200 -91.000 TRP 84 1.040 -29.944 -6.148 29.321 -99.200 -91.000 TRP6 84 1.020 -29.343 -6.851 27.143 -99.200 -91.000 PHE 90 1.000 -19.413 -12.382 18.413 -99.200 -91.000 PHE 109 1.000 -38.227 -10.485 37.144 -99.200 -91.000 TYR 110 0.840 -44.939 -9.739 31.295 -99.200 -91.000 PHE 115 1.000 -27.860 -10.534 18.806 -99.200 -91.000 HIS 116 0.900 -31.360 -4.816 14.754 -99.200 -91.000 PHE 120 1.000 -21.295 -12.062 13.570 -99.200 -91.000 TRP 134 1.040 -21.818 -17.558 24.398 -99.200 -91.000 TRP6 134 1.020 -20.252 -16.024 23.503 -99.200 -91.000 TYR 142 0.840 -16.335 -0.274 34.071 -99.200 -91.000 HIS 163 0.900 -11.574 -22.187 23.814 -99.200 -91.000 TYR 164 0.840 -16.026 -16.069 16.702 -99.200 -91.000 TYR 172 0.840 -25.930 -4.492 33.134 -99.200 -91.000 TYR 184 0.840 -14.099 -3.364 39.235 -99.200 -91.000 HIS 185 0.900 -20.972 -5.744 41.311 -99.200 -91.000 HIS 189 0.900 -22.799 -13.376 33.950 -99.200 -91.000 HIS 196 0.900 -29.337 -28.534 19.556 -99.200 -91.000 TYR 200 0.840 -28.802 -25.242 17.536 -99.200 -91.000 TYR 206 0.840 -28.993 -23.593 34.644 -99.200 -91.000 HIS 208 0.900 -25.085 -20.939 39.454 -99.200 -91.000 HIS 212 0.900 -16.436 -13.261 42.226 -99.200 -91.000