============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 27 0.840 60.473 38.370 113.598 -99.200 -91.000 PHE 29 1.000 66.312 38.231 111.013 -99.200 -91.000 TYR 32 0.840 59.740 33.511 117.155 -99.200 -91.000 TRP 36 1.040 63.574 32.973 101.994 -99.200 -91.000 TRP6 36 1.020 62.916 35.103 101.351 -99.200 -91.000 TRP 47 1.040 59.096 25.305 104.041 -99.200 -91.000 TRP6 47 1.020 60.731 23.654 104.297 -99.200 -91.000 TRP 50 1.040 63.097 27.940 109.544 -99.200 -91.000 TRP6 50 1.020 64.710 26.908 110.854 -99.200 -91.000 TYR 60 0.840 68.867 26.053 100.592 -99.200 -91.000 PHE 64 1.000 61.756 25.481 95.510 -99.200 -91.000 PHE 68 1.000 65.261 28.648 93.742 -99.200 -91.000 PHE 70 1.000 66.147 29.478 101.559 -99.200 -91.000 PHE 93 1.000 60.157 33.181 93.754 -99.200 -91.000 PHE 94 1.000 53.573 35.369 99.173 -99.200 -91.000 PHE 102 1.000 64.032 21.307 110.668 -99.200 -91.000 TYR 108 0.840 52.123 37.290 113.488 -99.200 -91.000 TRP 109 1.040 52.268 33.650 105.622 -99.200 -91.000 TRP6 109 1.020 52.703 32.261 103.752 -99.200 -91.000 TYR 128 0.840 45.677 55.939 73.772 -99.200 -91.000 TYR 151 0.840 51.329 48.395 81.400 -99.200 -91.000 PHE 152 1.000 57.430 42.715 79.937 -99.200 -91.000 TRP 160 1.040 39.632 56.354 87.588 -99.200 -91.000 TRP6 160 1.020 39.125 57.217 85.503 -99.200 -91.000 HIS 170 0.900 33.623 47.747 88.769 -99.200 -91.000 PHE 172 1.000 37.009 45.989 84.167 -99.200 -91.000 TYR 181 0.840 51.941 42.845 81.332 -99.200 -91.000 TRP 194 1.040 33.246 64.333 83.404 -99.200 -91.000 TRP6 194 1.020 32.231 63.916 81.334 -99.200 -91.000 HIS 205 0.900 55.801 50.861 82.991 -99.200 -91.000