============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 27 0.840 32.300 34.856 48.997 -99.200 -91.000 PHE 29 1.000 25.855 36.186 48.447 -99.200 -91.000 TYR 32 0.840 34.972 39.265 50.149 -99.200 -91.000 TRP 33 1.040 31.029 46.215 46.634 -99.200 -91.000 TRP6 33 1.020 29.192 47.523 45.935 -99.200 -91.000 TRP 36 1.040 25.979 40.166 38.228 -99.200 -91.000 TRP6 36 1.020 25.308 37.950 37.811 -99.200 -91.000 HIS 43 0.900 31.157 44.167 20.086 -99.200 -91.000 TRP 47 1.040 31.962 46.128 35.864 -99.200 -91.000 TRP6 47 1.020 30.879 48.033 36.777 -99.200 -91.000 TYR 60 0.840 22.000 48.381 37.916 -99.200 -91.000 PHE 64 1.000 25.565 46.154 29.278 -99.200 -91.000 PHE 70 1.000 23.863 44.137 38.359 -99.200 -91.000 TYR 80 0.840 18.761 34.716 42.144 -99.200 -91.000 TYR 93 0.840 24.968 37.926 29.352 -99.200 -91.000 TYR 94 0.840 32.586 34.178 31.713 -99.200 -91.000 HIS 99 0.900 35.413 46.773 46.639 -99.200 -91.000 TYR 101 0.840 33.294 46.184 55.250 -99.200 -91.000 TYR 102 0.840 39.324 49.998 55.109 -99.200 -91.000 PHE 103 1.000 40.471 41.437 50.542 -99.200 -91.000 TYR 104 0.840 40.550 43.302 43.127 -99.200 -91.000 TYR 108 0.840 38.904 33.615 44.765 -99.200 -91.000 TRP 109 1.040 37.190 36.205 36.600 -99.200 -91.000 TRP6 109 1.020 36.027 37.584 35.059 -99.200 -91.000 PHE 128 1.000 22.736 19.084 1.156 -99.200 -91.000 TYR 151 0.840 23.893 22.832 12.951 -99.200 -91.000 PHE 152 1.000 17.863 27.560 17.022 -99.200 -91.000 TRP 160 1.040 35.453 13.196 8.715 -99.200 -91.000 TRP6 160 1.020 34.664 12.909 6.498 -99.200 -91.000 HIS 170 0.900 42.536 20.745 9.589 -99.200 -91.000 PHE 172 1.000 37.201 24.417 8.046 -99.200 -91.000 TYR 182 0.840 23.711 28.305 15.042 -99.200 -91.000 TYR 200 0.840 38.582 8.021 2.805 -99.200 -91.000 HIS 206 0.900 20.715 19.500 15.914 -99.200 -91.000