============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 34 1.000 30.097 25.510 50.344 -99.200 -91.000 TYR 43 0.840 23.886 28.248 29.192 -99.200 -91.000 TYR 58 0.840 31.111 32.426 31.857 -99.200 -91.000 PHE 74 1.000 40.900 29.352 55.387 -99.200 -91.000 PHE 91 1.000 30.472 26.872 38.969 -99.200 -91.000 TYR 95 0.840 37.913 28.279 51.222 -99.200 -91.000 TYR 101 0.840 36.745 26.424 55.585 -99.200 -91.000 PHE 118 1.000 23.377 32.322 32.322 -99.200 -91.000 PHE 130 1.000 23.244 24.797 40.411 -99.200 -91.000 PHE 146 1.000 33.434 17.849 47.337 -99.200 -91.000 TRP 148 1.040 34.877 21.580 59.025 -99.200 -91.000 TRP6 148 1.020 34.891 23.597 60.251 -99.200 -91.000 TYR 157 0.840 22.709 19.825 49.212 -99.200 -91.000 TYR 174 0.840 1.959 29.944 36.468 -99.200 -91.000 TYR 179 0.840 4.782 30.942 51.172 -99.200 -91.000 PHE 202 1.000 -4.917 19.397 37.294 -99.200 -91.000 TYR 205 0.840 -2.889 17.544 43.800 -99.200 -91.000 TYR 211 0.840 6.793 20.124 56.661 -99.200 -91.000 TYR 227 0.840 -1.831 18.419 56.853 -99.200 -91.000 TYR 244 0.840 -16.561 15.965 35.619 -99.200 -91.000 HIS 252 0.900 1.160 13.894 53.940 -99.200 -91.000 TYR 265 0.840 -12.274 15.887 38.586 -99.200 -91.000 TYR 271 0.840 -12.159 16.665 33.555 -99.200 -91.000 PHE 288 1.000 3.675 23.977 55.218 -99.200 -91.000 PHE 300 1.000 5.235 22.956 44.240 -99.200 -91.000 PHE 316 1.000 -1.062 11.347 36.633 -99.200 -91.000 TRP 318 1.040 -9.496 15.493 28.715 -99.200 -91.000 TRP6 318 1.020 -11.225 17.101 28.755 -99.200 -91.000 TYR 319 0.840 -6.960 12.928 25.987 -99.200 -91.000 TYR 327 0.840 4.384 20.729 34.632 -99.200 -91.000 PHE 328 1.000 8.673 27.440 32.007 -99.200 -91.000