============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 22 0.900 27.057 -21.195 -26.214 -99.200 -91.000 PHE 24 1.000 21.527 -23.295 -23.748 -99.200 -91.000 TRP 32 1.040 16.705 -24.194 -19.403 -99.200 -91.000 TRP6 32 1.020 15.298 -22.608 -20.452 -99.200 -91.000 PHE 35 1.000 15.731 -21.588 -31.389 -99.200 -91.000 HIS 47 0.900 22.049 -8.433 -36.969 -99.200 -91.000 PHE 55 1.000 12.265 -16.551 -31.652 -99.200 -91.000 TYR 60 0.840 12.509 -19.651 -28.023 -99.200 -91.000 TYR 69 0.840 33.818 -8.473 -23.833 -99.200 -91.000 TRP 70 1.040 33.448 -8.487 -18.526 -99.200 -91.000 TRP6 70 1.020 33.997 -6.285 -19.190 -99.200 -91.000 PHE 78 1.000 29.291 -11.377 -8.371 -99.200 -91.000 HIS 79 0.900 27.207 -10.462 -12.746 -99.200 -91.000 HIS 81 0.900 25.935 -18.375 -17.703 -99.200 -91.000 PHE 86 1.000 13.337 -14.093 -24.986 -99.200 -91.000 TYR 96 0.840 10.478 -11.710 -29.069 -99.200 -91.000 TYR 105 0.840 33.356 -7.476 -9.314 -99.200 -91.000 TYR 107 0.840 23.980 -9.354 -16.207 -99.200 -91.000