============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 3 1.000 35.976 -26.335 19.905 -99.200 -91.000 PHE 10 1.000 27.640 -16.533 18.561 -99.200 -91.000 PHE 27 1.000 31.387 -20.130 25.679 -99.200 -91.000 PHE 35 1.000 24.929 -22.230 19.395 -99.200 -91.000 TYR 44 0.840 27.814 -36.093 26.679 -99.200 -91.000 TYR 51 0.840 33.148 -29.673 26.044 -99.200 -91.000 TYR 54 0.840 34.629 -29.102 37.493 -99.200 -91.000 TRP 58 1.040 26.467 -19.568 33.346 -99.200 -91.000 TRP6 58 1.020 28.593 -18.539 33.385 -99.200 -91.000 HIS 63 0.900 20.732 -32.809 43.853 -99.200 -91.000 HIS 65 0.900 23.899 -30.645 32.512 -99.200 -91.000 PHE 84 1.000 -3.056 -26.921 37.472 -99.200 -91.000 TYR 126 0.840 9.051 -3.443 58.310 -99.200 -91.000 PHE 135 1.000 28.595 -4.072 50.678 -99.200 -91.000 TYR 139 0.840 23.631 -9.560 37.623 -99.200 -91.000 HIS 140 0.900 23.233 -7.678 44.937 -99.200 -91.000 HIS 142 0.900 17.179 -7.982 34.074 -99.200 -91.000 TYR 172 0.840 31.726 -8.966 49.468 -99.200 -91.000 TYR 180 0.840 31.991 9.014 54.420 -99.200 -91.000 PHE 182 1.000 23.631 2.019 57.044 -99.200 -91.000 PHE 185 1.000 24.582 10.032 52.045 -99.200 -91.000 PHE 209 1.000 31.370 -6.966 54.082 -99.200 -91.000 PHE 226 1.000 23.315 -12.244 55.062 -99.200 -91.000 PHE 232 1.000 17.807 -23.317 49.281 -99.200 -91.000 TYR 236 0.840 20.526 -29.339 55.515 -99.200 -91.000 TYR 242 0.840 30.674 -21.851 55.645 -99.200 -91.000 TYR 243 0.840 30.563 -17.006 55.881 -99.200 -91.000 TYR 265 0.840 9.548 -11.131 47.681 -99.200 -91.000 TYR 281 0.840 0.412 -5.697 42.426 -99.200 -91.000 TYR 296 0.840 9.516 -31.831 48.456 -99.200 -91.000 TYR 307 0.840 24.960 -28.465 51.300 -99.200 -91.000 PHE 310 1.000 27.806 -29.997 47.110 -99.200 -91.000 HIS 327 0.900 53.697 -26.352 34.670 -99.200 -91.000 HIS 331 0.900 49.400 -19.714 42.904 -99.200 -91.000 HIS 332 0.900 44.027 -14.997 47.001 -99.200 -91.000 PHE 342 1.000 39.420 -14.373 42.017 -99.200 -91.000 PHE 343 1.000 44.762 -18.407 35.813 -99.200 -91.000 TYR 351 0.840 34.833 -5.542 39.652 -99.200 -91.000 PHE 361 1.000 50.023 -15.443 32.553 -99.200 -91.000 PHE 362 1.000 39.280 -17.651 33.040 -99.200 -91.000 TYR 365 0.840 42.379 -22.360 34.012 -99.200 -91.000 TYR 366 0.840 36.686 -21.315 29.187 -99.200 -91.000 PHE 374 1.000 30.572 -25.120 29.523 -99.200 -91.000 PHE 380 1.000 36.822 -10.382 36.508 -99.200 -91.000 PHE 384 1.000 28.635 -21.803 39.682 -99.200 -91.000 HIS 389 0.900 31.111 -31.999 39.077 -99.200 -91.000