============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 18.801 35.453 4.482 -99.200 -91.000 TYR 14 0.840 30.630 39.808 -0.651 -99.200 -91.000 HIS 23 0.900 31.997 24.888 -0.376 -99.200 -91.000 PHE 24 1.000 38.982 23.567 -0.096 -99.200 -91.000 TRP 34 1.040 46.165 38.998 -5.573 -99.200 -91.000 TRP6 34 1.020 47.715 37.456 -4.584 -99.200 -91.000 HIS 40 0.900 39.840 26.997 9.193 -99.200 -91.000 TYR 42 0.840 48.401 24.914 1.953 -99.200 -91.000 HIS 53 0.900 21.862 30.939 -5.129 -99.200 -91.000 PHE 64 1.000 33.290 25.812 -12.187 -99.200 -91.000 HIS 73 0.900 49.873 36.729 9.106 -99.200 -91.000 PHE 76 1.000 46.671 28.860 10.712 -99.200 -91.000 TRP 121 1.040 27.255 27.365 -1.775 -99.200 -91.000 TRP6 121 1.020 28.758 29.058 -2.502 -99.200 -91.000 TYR 131 0.840 28.313 19.583 4.917 -99.200 -91.000 TYR 152 0.840 34.442 30.698 21.905 -99.200 -91.000 PHE 165 1.000 22.009 36.531 15.934 -99.200 -91.000 TRP 193 1.040 38.877 30.520 16.666 -99.200 -91.000 TRP6 193 1.020 38.316 30.108 18.929 -99.200 -91.000 TYR 195 0.840 32.717 22.899 22.400 -99.200 -91.000 TYR 206 0.840 32.614 34.869 12.273 -99.200 -91.000 TYR 212 0.840 45.208 39.711 10.145 -99.200 -91.000 TRP 215 1.040 50.295 39.299 5.340 -99.200 -91.000 TRP6 215 1.020 48.603 37.821 4.526 -99.200 -91.000