============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. HIS 3 0.900 -19.932 -15.853 -16.041 -99.200 -91.000 TYR 7 0.840 -20.086 -8.593 -30.336 -99.200 -91.000 PHE 8 1.000 -13.011 -5.341 -26.182 -99.200 -91.000 TYR 22 0.840 -16.374 -2.926 -38.574 -99.200 -91.000 TYR 27 0.840 -11.931 -10.703 -26.646 -99.200 -91.000 PHE 33 1.000 -18.895 -13.994 -28.698 -99.200 -91.000 PHE 36 1.000 -17.292 -8.068 -41.030 -99.200 -91.000 TYR 45 0.840 -19.369 -10.217 -36.586 -99.200 -91.000 TRP 51 1.040 -17.735 -21.415 -26.385 -99.200 -91.000 TRP6 51 1.020 -18.898 -19.390 -26.702 -99.200 -91.000 TYR 59 0.840 -25.014 -16.033 -34.054 -99.200 -91.000 TRP 60 1.040 -22.344 -18.737 -37.997 -99.200 -91.000 TRP6 60 1.020 -20.848 -17.736 -36.468 -99.200 -91.000 TRP 73 1.040 -22.946 4.508 -36.904 -99.200 -91.000 TRP6 73 1.020 -21.147 4.989 -35.454 -99.200 -91.000 PHE 74 1.000 -17.117 1.807 -36.136 -99.200 -91.000 TYR 84 0.840 -18.371 16.259 -36.195 -99.200 -91.000 TYR 85 0.840 -11.845 16.206 -33.067 -99.200 -91.000 HIS 93 0.900 -6.972 11.206 -39.204 -99.200 -91.000 TRP 107 1.040 -25.342 -16.314 -14.468 -99.200 -91.000 TRP6 107 1.020 -25.338 -18.074 -16.048 -99.200 -91.000 TYR 113 0.840 -19.285 -1.556 -18.921 -99.200 -91.000 PHE 116 1.000 -19.610 4.904 -30.445 -99.200 -91.000 TYR 118 0.840 -10.978 11.020 -34.739 -99.200 -91.000 TYR 123 0.840 -16.606 12.145 -30.811 -99.200 -91.000 TRP 133 1.040 -26.010 9.785 -25.343 -99.200 -91.000 TRP6 133 1.020 -25.080 7.834 -26.294 -99.200 -91.000 TRP 147 1.040 -25.487 10.145 -31.826 -99.200 -91.000 TRP6 147 1.020 -23.918 8.589 -30.993 -99.200 -91.000 HIS 155 0.900 -30.760 1.107 -31.811 -99.200 -91.000 TYR 156 0.840 -26.321 2.955 -29.633 -99.200 -91.000 TYR 159 0.840 -26.452 -4.798 -28.096 -99.200 -91.000 TRP 167 1.040 -29.277 -13.214 -28.777 -99.200 -91.000 TRP6 167 1.020 -28.969 -15.010 -30.277 -99.200 -91.000 HIS 169 0.900 -28.947 -14.543 -19.115 -99.200 -91.000 TYR 171 0.840 -23.554 -15.639 -27.680 -99.200 -91.000 HIS 188 0.900 7.431 -20.427 -9.453 -99.200 -91.000 HIS 191 0.900 17.003 -14.201 -2.532 -99.200 -91.000 HIS 192 0.900 15.299 -12.751 -9.398 -99.200 -91.000 TRP 204 1.040 7.236 -15.754 -10.809 -99.200 -91.000 TRP6 204 1.020 7.033 -15.037 -13.050 -99.200 -91.000 PHE 208 1.000 -4.162 -16.926 -12.674 -99.200 -91.000 TYR 209 0.840 -11.101 -19.552 -17.964 -99.200 -91.000 TRP 217 1.040 5.162 -10.540 -2.059 -99.200 -91.000 TRP6 217 1.020 6.341 -12.340 -1.096 -99.200 -91.000 PHE 241 1.000 -6.735 -15.200 -18.809 -99.200 -91.000 TRP 244 1.040 5.680 -10.926 -12.591 -99.200 -91.000 TRP6 244 1.020 6.415 -8.861 -11.703 -99.200 -91.000 TYR 257 0.840 9.251 -9.097 4.293 -99.200 -91.000 TYR 262 0.840 -6.764 -14.097 -0.317 -99.200 -91.000 HIS 263 0.900 -8.390 -18.648 -9.756 -99.200 -91.000 TRP 274 1.040 13.941 -18.018 -1.752 -99.200 -91.000 TRP6 274 1.020 15.828 -17.518 -0.424 -99.200 -91.000