============================================================================= 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 14.184 51.489 0.638 -99.200 -91.000 TYR 14 0.840 26.462 56.260 3.505 -99.200 -91.000 TYR 22 0.840 18.098 60.838 24.132 -99.200 -91.000 HIS 23 0.900 18.953 57.964 16.372 -99.200 -91.000 PHE 24 1.000 22.367 63.264 20.020 -99.200 -91.000 TRP 34 1.040 38.265 64.016 11.667 -99.200 -91.000 TRP6 34 1.020 37.739 65.946 12.892 -99.200 -91.000 HIS 40 0.900 19.223 70.332 13.723 -99.200 -91.000 TYR 42 0.840 27.941 71.280 21.185 -99.200 -91.000 PHE 64 1.000 27.401 50.761 21.143 -99.200 -91.000 HIS 73 0.900 30.512 77.225 9.192 -99.200 -91.000 TYR 76 0.840 23.490 76.152 14.254 -99.200 -91.000 TRP 121 1.040 18.279 53.558 13.216 -99.200 -91.000 TRP6 121 1.020 20.489 54.125 12.678 -99.200 -91.000 TYR 131 0.840 10.836 58.884 17.143 -99.200 -91.000 TYR 152 0.840 10.153 74.650 3.377 -99.200 -91.000 PHE 161 1.000 20.392 69.289 -0.971 -99.200 -91.000 TYR 165 0.840 9.435 61.580 -3.538 -99.200 -91.000 TRP 193 1.040 15.571 74.183 7.520 -99.200 -91.000 TRP6 193 1.020 13.658 75.308 6.695 -99.200 -91.000 TYR 206 0.840 17.047 66.867 2.967 -99.200 -91.000 TYR 212 0.840 28.666 74.558 4.685 -99.200 -91.000 TRP 215 1.040 34.478 75.153 8.219 -99.200 -91.000 TRP6 215 1.020 33.299 73.468 9.340 -99.200 -91.000