============================================================================= 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 20.878 52.467 13.920 -99.200 -91.000 TYR 14 0.840 8.571 53.852 19.253 -99.200 -91.000 TYR 22 0.840 7.110 72.779 6.306 -99.200 -91.000 HIS 23 0.900 9.492 65.508 9.749 -99.200 -91.000 PHE 24 1.000 5.157 70.767 12.337 -99.200 -91.000 TRP 34 1.040 -5.665 60.928 23.039 -99.200 -91.000 TRP6 34 1.020 -5.707 63.269 23.350 -99.200 -91.000 HIS 40 0.900 10.216 72.477 20.286 -99.200 -91.000 TYR 42 0.840 -0.645 75.468 18.618 -99.200 -91.000 PHE 64 1.000 -0.011 60.659 4.348 -99.200 -91.000 HIS 73 0.900 2.506 71.045 31.601 -99.200 -91.000 TYR 76 0.840 6.555 75.717 25.451 -99.200 -91.000 TRP 121 1.040 11.581 60.507 8.531 -99.200 -91.000 TRP6 121 1.020 9.787 59.903 9.949 -99.200 -91.000 TYR 131 0.840 16.751 69.068 7.165 -99.200 -91.000 TYR 152 0.840 23.155 72.303 26.907 -99.200 -91.000 PHE 161 1.000 15.921 62.527 29.193 -99.200 -91.000 TYR 165 0.840 27.370 58.173 22.619 -99.200 -91.000 TRP 193 1.040 16.433 72.710 25.531 -99.200 -91.000 TRP6 193 1.020 18.465 73.670 26.278 -99.200 -91.000 TYR 206 0.840 17.136 64.144 23.823 -99.200 -91.000 TYR 212 0.840 6.064 66.991 32.039 -99.200 -91.000 TRP 215 1.040 -0.854 67.591 32.006 -99.200 -91.000 TRP6 215 1.020 0.024 67.516 29.808 -99.200 -91.000