============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 8 1.040 34.845 -0.132 14.407 -99.200 -91.000 TRP6 8 1.020 34.559 -2.203 15.492 -99.200 -91.000 TYR 9 0.840 37.564 -1.788 6.911 -99.200 -91.000 PHE 16 1.000 31.395 3.691 12.975 -99.200 -91.000 TYR 30 0.840 29.089 4.799 7.122 -99.200 -91.000 TYR 38 0.840 28.327 11.389 2.410 -99.200 -91.000 TYR 44 0.840 32.102 5.467 24.577 -99.200 -91.000 TRP 59 1.040 27.367 5.752 13.362 -99.200 -91.000 TRP6 59 1.020 27.592 3.533 14.081 -99.200 -91.000 TRP 63 1.040 23.247 9.346 4.126 -99.200 -91.000 TRP6 63 1.020 25.277 8.160 4.146 -99.200 -91.000 TYR 67 0.840 33.880 16.939 -2.543 -99.200 -91.000 HIS 71 0.900 18.491 17.731 -0.517 -99.200 -91.000 TRP 76 1.040 24.516 2.739 10.765 -99.200 -91.000 TRP6 76 1.020 24.947 4.740 9.633 -99.200 -91.000 TYR 80 0.840 33.348 -3.079 21.635 -99.200 -91.000 TRP 92 1.040 20.668 0.502 8.253 -99.200 -91.000 TRP6 92 1.020 19.161 1.141 6.549 -99.200 -91.000 TRP 104 1.040 3.240 7.374 1.450 -99.200 -91.000 TRP6 104 1.020 3.933 5.337 0.490 -99.200 -91.000 HIS 111 0.900 20.022 -6.615 8.645 -99.200 -91.000 PHE 114 1.000 29.007 -0.510 10.643 -99.200 -91.000