============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. HIS 2 0.900 -33.897 84.959 7.584 -99.200 -91.000 TYR 7 0.840 -24.638 92.616 19.115 -99.200 -91.000 PHE 19 1.000 -39.221 93.533 6.286 -99.200 -91.000 PHE 26 1.000 -28.593 88.846 23.702 -99.200 -91.000 TYR 27 0.840 -35.279 80.156 24.499 -99.200 -91.000 PHE 48 1.000 -32.882 90.346 26.170 -99.200 -91.000 TRP 59 1.040 -32.788 95.628 8.334 -99.200 -91.000 TRP6 59 1.020 -35.085 95.655 8.872 -99.200 -91.000 HIS 75 0.900 -41.795 92.596 29.167 -99.200 -91.000 PHE 76 1.000 -40.251 94.944 35.415 -99.200 -91.000 HIS 77 0.900 -39.156 91.215 32.881 -99.200 -91.000 TYR 87 0.840 -35.915 101.429 20.310 -99.200 -91.000 TRP 95 1.040 -45.259 107.299 22.685 -99.200 -91.000 TRP6 95 1.020 -46.938 108.467 23.870 -99.200 -91.000 PHE 116 1.000 -20.842 91.421 44.474 -99.200 -91.000 TYR 117 0.840 -20.745 95.255 41.095 -99.200 -91.000 HIS 130 0.900 -29.019 100.364 36.786 -99.200 -91.000 PHE 138 1.000 -49.639 103.051 27.202 -99.200 -91.000 PHE 146 1.000 -48.696 105.250 19.895 -99.200 -91.000 PHE 148 1.000 -48.198 106.301 14.204 -99.200 -91.000 PHE 157 1.000 -52.750 95.312 32.512 -99.200 -91.000 HIS 162 0.900 -42.614 87.566 30.932 -99.200 -91.000 TYR 170 0.840 -55.810 93.722 16.214 -99.200 -91.000 PHE 171 1.000 -48.804 97.169 14.397 -99.200 -91.000 PHE 178 1.000 -44.026 91.788 19.919 -99.200 -91.000 TYR 189 0.840 -37.501 85.832 36.027 -99.200 -91.000 TRP 198 1.040 -49.780 83.943 30.990 -99.200 -91.000 TRP6 198 1.020 -47.463 83.881 31.474 -99.200 -91.000 PHE 208 1.000 -56.578 92.711 20.765 -99.200 -91.000 HIS 217 0.900 -37.900 85.323 24.341 -99.200 -91.000 TRP 220 1.040 -44.220 84.624 12.526 -99.200 -91.000 TRP6 220 1.020 -41.929 85.221 12.622 -99.200 -91.000