============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. HIS 5 0.900 -6.830 24.004 68.433 -99.200 -91.000 PHE 11 1.000 -18.547 21.459 70.619 -99.200 -91.000 PHE 26 1.000 -15.542 16.301 68.707 -99.200 -91.000 TRP 27 1.040 -6.977 18.529 67.579 -99.200 -91.000 TRP6 27 1.020 -4.633 18.752 67.803 -99.200 -91.000 TRP 30 1.040 -2.544 11.341 72.161 -99.200 -91.000 TRP6 30 1.020 -4.125 9.756 71.404 -99.200 -91.000 TYR 48 0.840 -15.664 23.336 50.771 -99.200 -91.000 TYR 69 0.840 -21.895 16.793 70.466 -99.200 -91.000 PHE 80 1.000 -21.881 19.852 66.046 -99.200 -91.000 PHE 101 1.000 -18.874 14.423 56.179 -99.200 -91.000 PHE 142 1.000 -37.702 38.723 49.014 -99.200 -91.000 TYR 151 0.840 -41.471 17.087 51.648 -99.200 -91.000 PHE 168 1.000 -38.207 21.731 49.856 -99.200 -91.000 PHE 171 1.000 -37.052 33.054 44.810 -99.200 -91.000 HIS 178 0.900 -27.000 36.367 48.182 -99.200 -91.000 TRP 188 1.040 -39.069 37.184 65.118 -99.200 -91.000 TRP6 188 1.020 -39.828 35.594 66.694 -99.200 -91.000 PHE 189 1.000 -42.554 35.888 57.053 -99.200 -91.000 TYR 199 0.840 -33.608 20.637 49.564 -99.200 -91.000 PHE 204 1.000 -37.537 22.057 44.010 -99.200 -91.000