============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 7 1.000 33.623 52.419 82.740 -99.200 -91.000 PHE 27 1.000 29.530 44.624 75.565 -99.200 -91.000 PHE 32 1.000 23.478 43.290 77.073 -99.200 -91.000 PHE 39 1.000 40.171 57.444 71.618 -99.200 -91.000 HIS 46 0.900 38.849 59.058 85.633 -99.200 -91.000 HIS 50 0.900 37.803 51.383 86.544 -99.200 -91.000 TYR 51 0.840 41.641 48.686 87.187 -99.200 -91.000 PHE 59 1.000 47.259 43.035 90.144 -99.200 -91.000 PHE 60 1.000 46.884 50.547 92.080 -99.200 -91.000 TYR 66 0.840 47.200 47.452 80.255 -99.200 -91.000 TRP 77 1.040 27.948 48.935 75.901 -99.200 -91.000 TRP6 77 1.020 26.999 48.807 73.736 -99.200 -91.000 PHE 107 1.000 38.818 39.585 69.078 -99.200 -91.000 HIS 117 0.900 36.348 47.556 84.470 -99.200 -91.000 TRP 132 1.040 35.789 55.362 84.433 -99.200 -91.000 TRP6 132 1.020 37.687 55.401 83.013 -99.200 -91.000 PHE 133 1.000 30.817 57.608 80.245 -99.200 -91.000 TYR 141 0.840 19.675 55.516 72.351 -99.200 -91.000 HIS 146 0.900 12.659 47.464 75.175 -99.200 -91.000 TRP 148 1.040 10.629 43.369 66.550 -99.200 -91.000 TRP6 148 1.020 8.974 41.698 66.242 -99.200 -91.000 TYR 150 0.840 15.118 43.754 76.944 -99.200 -91.000