============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TRP 24 1.040 -2.999 6.930 21.831 -99.200 -91.000 TRP6 24 1.020 -1.059 5.606 22.038 -99.200 -91.000 PHE 31 1.000 -7.301 7.117 15.488 -99.200 -91.000 TYR 33 0.840 2.434 10.324 9.788 -99.200 -91.000 PHE 34 1.000 -2.953 3.345 10.146 -99.200 -91.000 TRP 57 1.040 -10.228 -8.276 10.468 -99.200 -91.000 TRP6 57 1.020 -10.181 -7.047 8.430 -99.200 -91.000 PHE 58 1.000 -11.948 -10.825 13.663 -99.200 -91.000 HIS 87 0.900 -8.990 -6.322 0.156 -99.200 -91.000 PHE 88 1.000 -5.013 -11.621 -1.552 -99.200 -91.000 TRP 113 1.040 2.416 1.587 4.115 -99.200 -91.000 TRP6 113 1.020 3.735 3.142 5.329 -99.200 -91.000 TYR 121 0.840 3.920 -2.690 15.029 -99.200 -91.000 HIS 130 0.900 15.011 -0.167 2.543 -99.200 -91.000 PHE 134 1.000 7.451 5.644 7.035 -99.200 -91.000 PHE 142 1.000 -1.433 8.546 27.138 -99.200 -91.000 PHE 147 1.000 4.432 -2.331 27.496 -99.200 -91.000 PHE 148 1.000 7.701 -0.619 17.363 -99.200 -91.000 TYR 156 0.840 15.548 -0.638 13.037 -99.200 -91.000 TYR 162 0.840 10.467 8.646 4.042 -99.200 -91.000 TYR 177 0.840 0.213 14.040 17.494 -99.200 -91.000 PHE 179 1.000 2.972 12.871 12.590 -99.200 -91.000 TYR 182 0.840 13.786 5.908 14.645 -99.200 -91.000