============================================================================= 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. TYR 6 0.840 -45.920 8.197 0.419 -99.200 -91.000 PHE 12 1.000 -47.582 6.075 -3.616 -99.200 -91.000 PHE 13 1.000 -52.479 6.307 -6.464 -99.200 -91.000 PHE 15 1.000 -43.372 12.605 -6.540 -99.200 -91.000 PHE 30 1.000 -39.422 2.540 1.482 -99.200 -91.000 PHE 36 1.000 -32.392 6.871 -3.431 -99.200 -91.000 HIS 39 0.900 -35.641 2.184 -10.997 -99.200 -91.000 TYR 60 0.840 -39.047 7.927 6.015 -99.200 -91.000 TYR 114 0.840 -52.461 -6.862 2.564 -99.200 -91.000 PHE 136 1.000 -35.656 26.077 -21.026 -99.200 -91.000 TYR 177 0.840 -39.897 22.723 -34.012 -99.200 -91.000 PHE 180 1.000 -35.151 31.355 -32.947 -99.200 -91.000 TYR 200 0.840 -29.676 17.371 -24.536 -99.200 -91.000 PHE 205 1.000 -37.696 17.867 -24.710 -99.200 -91.000 PHE 215 1.000 -45.256 15.097 -10.697 -99.200 -91.000 PHE 223 1.000 -29.486 24.429 -22.925 -99.200 -91.000 HIS 240 0.900 -37.747 19.458 -6.235 -99.200 -91.000 PHE 243 1.000 -38.391 11.931 -16.044 -99.200 -91.000 TRP 244 1.040 -29.937 14.240 -13.709 -99.200 -91.000 TRP6 244 1.020 -28.612 16.180 -13.948 -99.200 -91.000