============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 8 0.900 32.208 -15.151 40.197 -99.200 -91.000 TYR 16 0.840 16.380 -18.820 45.010 -99.200 -91.000 TRP 22 1.040 23.602 -14.209 35.306 -99.200 -91.000 TRP6 22 1.020 24.290 -14.820 37.489 -99.200 -91.000 HIS 23 0.900 18.273 -14.621 29.027 -99.200 -91.000 HIS 30 0.900 33.107 -16.484 27.316 -99.200 -91.000 PHE 47 1.000 21.465 -33.752 30.957 -99.200 -91.000 PHE 68 1.000 21.772 -38.717 34.093 -99.200 -91.000 HIS 69 0.900 17.200 -43.533 31.815 -99.200 -91.000 HIS 70 0.900 19.678 -37.171 27.358 -99.200 -91.000 HIS 88 0.900 40.006 -26.405 26.242 -99.200 -91.000 PHE 90 1.000 36.017 -25.462 27.670 -99.200 -91.000 PHE 92 1.000 27.958 -25.820 31.006 -99.200 -91.000 TYR 98 0.840 31.800 -24.476 38.617 -99.200 -91.000 TYR 109 0.840 38.567 -20.256 28.872 -99.200 -91.000 PHE 117 1.000 21.188 -10.602 40.207 -99.200 -91.000 PHE 122 1.000 26.018 -18.856 47.698 -99.200 -91.000 PHE 123 1.000 34.348 -20.712 40.679 -99.200 -91.000 TYR 126 0.840 37.892 -16.308 41.338 -99.200 -91.000 PHE 128 1.000 43.591 -9.756 42.279 -99.200 -91.000 TRP 131 1.040 43.302 -19.107 40.497 -99.200 -91.000 TRP6 131 1.020 43.230 -20.817 38.856 -99.200 -91.000 HIS 149 0.900 28.138 -8.775 29.977 -99.200 -91.000 PHE 151 1.000 32.013 -12.430 28.344 -99.200 -91.000 HIS 153 0.900 42.326 -18.093 29.382 -99.200 -91.000