============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 36 0.840 9.048 6.197 -6.532 -99.200 -91.000 TRP 39 1.040 10.654 20.042 -4.876 -99.200 -91.000 TRP6 39 1.020 12.632 21.165 -4.245 -99.200 -91.000 TYR 40 0.840 7.456 16.472 2.143 -99.200 -91.000 TYR 53 0.840 1.624 13.761 -5.492 -99.200 -91.000 TRP 54 1.040 5.143 9.587 -7.833 -99.200 -91.000 TRP6 54 1.020 2.876 8.949 -7.982 -99.200 -91.000 PHE 66 1.000 4.290 27.384 -3.880 -99.200 -91.000 PHE 75 1.000 14.786 15.003 -9.231 -99.200 -91.000 TYR 90 0.840 9.391 26.929 0.107 -99.200 -91.000 TYR 91 0.840 13.642 21.422 5.391 -99.200 -91.000 PHE 101 1.000 12.390 14.878 4.958 -99.200 -91.000 PHE 121 1.000 6.477 47.461 26.851 -99.200 -91.000 PHE 138 1.000 7.869 44.685 20.287 -99.200 -91.000 PHE 142 1.000 13.142 45.808 13.496 -99.200 -91.000 TYR 143 0.840 13.471 44.243 4.859 -99.200 -91.000 TRP 151 1.040 19.120 48.406 26.664 -99.200 -91.000 TRP6 151 1.020 17.075 48.871 27.742 -99.200 -91.000 TRP 166 1.040 16.241 41.052 15.187 -99.200 -91.000 TRP6 166 1.020 18.188 41.110 16.528 -99.200 -91.000 TYR 176 0.840 13.284 40.224 9.748 -99.200 -91.000 TYR 189 0.840 14.062 49.623 38.100 -99.200 -91.000 HIS 192 0.900 22.406 53.421 38.582 -99.200 -91.000 TYR 195 0.840 16.753 52.243 34.926 -99.200 -91.000 HIS 201 0.900 15.967 49.864 10.560 -99.200 -91.000 PHE 212 1.000 11.666 53.065 32.879 -99.200 -91.000