============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. HIS 23 0.900 19.681 7.916 82.812 -99.200 -91.000 TYR 27 0.840 13.809 0.899 79.459 -99.200 -91.000 HIS 32 0.900 22.173 7.430 65.347 -99.200 -91.000 TYR 33 0.840 27.154 11.667 67.774 -99.200 -91.000 HIS 34 0.900 24.637 12.471 59.833 -99.200 -91.000 PHE 80 1.000 22.836 -7.209 72.523 -99.200 -91.000 PHE 83 1.000 24.402 0.944 78.196 -99.200 -91.000 PHE 96 1.000 9.519 17.928 57.532 -99.200 -91.000 TYR 97 0.840 16.001 16.691 52.366 -99.200 -91.000 PHE 122 1.000 14.375 -4.725 56.342 -99.200 -91.000 PHE 128 1.000 15.382 -4.823 69.845 -99.200 -91.000 PHE 150 1.000 8.049 18.962 52.951 -99.200 -91.000 TYR 153 0.840 8.539 13.433 56.491 -99.200 -91.000 HIS 158 0.900 1.441 6.398 53.408 -99.200 -91.000 TYR 174 0.840 11.329 -15.079 66.159 -99.200 -91.000 TRP 200 1.040 2.975 24.576 59.862 -99.200 -91.000 TRP6 200 1.020 1.831 22.775 58.839 -99.200 -91.000 PHE 222 1.000 0.013 2.765 76.854 -99.200 -91.000 TYR 230 0.840 -3.462 -9.293 73.704 -99.200 -91.000 HIS 246 0.900 -13.365 20.770 56.875 -99.200 -91.000