============================================================================= 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. TRP 15 1.040 -24.449 9.549 -2.809 -99.200 -91.000 TRP6 15 1.020 -24.045 11.620 -1.752 -99.200 -91.000 PHE 21 1.000 -21.612 13.076 -17.683 -99.200 -91.000 TYR 22 0.840 -12.591 10.206 -18.126 -99.200 -91.000 TRP 29 1.040 -18.331 18.316 -16.260 -99.200 -91.000 TRP6 29 1.020 -16.441 18.408 -17.641 -99.200 -91.000 PHE 32 1.000 -22.283 14.384 -7.296 -99.200 -91.000 PHE 41 1.000 -35.061 17.482 6.266 -99.200 -91.000 TRP 42 1.040 -36.196 12.329 5.019 -99.200 -91.000 TRP6 42 1.020 -37.878 13.263 6.408 -99.200 -91.000 HIS 44 0.900 -26.723 15.856 8.707 -99.200 -91.000 TYR 72 0.840 -17.557 11.147 10.432 -99.200 -91.000 PHE 74 1.000 -12.865 8.525 6.459 -99.200 -91.000 TYR 100 0.840 -20.947 0.821 1.914 -99.200 -91.000 PHE 125 1.000 -27.193 -13.088 -9.373 -99.200 -91.000 TYR 126 0.840 -21.637 -12.740 -9.960 -99.200 -91.000 PHE 134 1.000 -36.904 -4.061 -4.639 -99.200 -91.000 PHE 144 1.000 -27.418 8.911 1.033 -99.200 -91.000 PHE 147 1.000 -29.001 2.107 2.725 -99.200 -91.000 PHE 159 1.000 -44.420 15.598 3.181 -99.200 -91.000