============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 11 0.840 46.235 43.565 10.506 -99.200 -91.000 HIS 14 0.900 56.575 42.031 15.168 -99.200 -91.000 PHE 23 1.000 51.951 37.098 18.372 -99.200 -91.000 TYR 27 0.840 40.452 46.421 13.531 -99.200 -91.000 PHE 31 1.000 31.828 43.318 14.449 -99.200 -91.000 HIS 32 0.900 25.055 47.582 16.613 -99.200 -91.000 HIS 52 0.900 37.573 37.082 21.602 -99.200 -91.000 PHE 57 1.000 30.542 51.121 22.253 -99.200 -91.000 TRP 61 1.040 26.360 54.949 18.766 -99.200 -91.000 TRP6 61 1.020 26.798 55.091 21.091 -99.200 -91.000 PHE 63 1.000 29.007 46.215 19.154 -99.200 -91.000 TYR 64 0.840 37.438 48.761 18.396 -99.200 -91.000 TYR 67 0.840 37.959 37.016 16.654 -99.200 -91.000 TYR 68 0.840 45.608 38.299 20.073 -99.200 -91.000 PHE 71 1.000 51.657 34.478 10.189 -99.200 -91.000 TYR 79 0.840 49.566 30.818 7.756 -99.200 -91.000 HIS 85 0.900 27.415 40.864 11.557 -99.200 -91.000 TRP 96 1.040 49.126 37.618 5.612 -99.200 -91.000 TRP6 96 1.020 51.139 36.388 5.518 -99.200 -91.000