============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TRP 15 1.040 15.611 11.997 23.371 -99.200 -91.000 TRP6 15 1.020 14.532 14.010 24.010 -99.200 -91.000 TYR 19 0.840 11.849 23.673 12.594 -99.200 -91.000 PHE 34 1.000 28.464 21.122 14.957 -99.200 -91.000 TYR 37 0.840 18.554 13.791 9.032 -99.200 -91.000 PHE 38 1.000 20.802 15.042 18.398 -99.200 -91.000 PHE 43 1.000 19.148 13.254 28.555 -99.200 -91.000 PHE 52 1.000 24.344 14.999 22.842 -99.200 -91.000 TYR 53 0.840 25.022 6.201 21.356 -99.200 -91.000 PHE 54 1.000 26.155 13.162 16.162 -99.200 -91.000 TRP 62 1.040 23.048 9.198 4.835 -99.200 -91.000 TRP6 62 1.020 22.422 11.069 6.130 -99.200 -91.000 HIS 66 0.900 29.461 7.413 22.230 -99.200 -91.000 TYR 77 0.840 25.183 18.321 30.216 -99.200 -91.000 TYR 81 0.840 30.532 16.166 15.643 -99.200 -91.000 PHE 87 1.000 23.542 20.297 24.417 -99.200 -91.000 HIS 96 0.900 10.512 20.753 25.520 -99.200 -91.000 HIS 100 0.900 23.796 29.213 22.722 -99.200 -91.000 HIS 107 0.900 41.081 25.452 9.835 -99.200 -91.000 PHE 117 1.000 18.397 18.323 18.963 -99.200 -91.000 PHE 130 1.000 2.525 -5.003 17.780 -99.200 -91.000 TRP 131 1.040 4.282 -7.040 22.324 -99.200 -91.000 TRP6 131 1.020 5.318 -8.346 20.642 -99.200 -91.000 PHE 147 1.000 9.037 -2.143 10.261 -99.200 -91.000 HIS 153 0.900 20.442 0.409 17.392 -99.200 -91.000 HIS 155 0.900 22.650 -0.391 6.377 -99.200 -91.000