============================================================================= 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 27 1.000 29.373 101.283 39.897 -99.200 -91.000 PHE 29 1.000 33.648 97.402 41.725 -99.200 -91.000 TYR 32 0.840 25.215 99.759 42.854 -99.200 -91.000 TRP 33 1.040 24.841 91.441 44.943 -99.200 -91.000 TRP6 33 1.020 25.056 89.087 44.991 -99.200 -91.000 TRP 36 1.040 33.074 89.188 35.064 -99.200 -91.000 TRP6 36 1.020 34.283 90.379 33.414 -99.200 -91.000 TRP 47 1.040 24.446 85.349 35.421 -99.200 -91.000 TRP6 47 1.020 24.552 83.586 36.981 -99.200 -91.000 TYR 60 0.840 31.847 81.139 39.739 -99.200 -91.000 PHE 68 1.000 33.997 80.772 32.146 -99.200 -91.000 TYR 80 0.840 40.774 92.074 38.998 -99.200 -91.000 TYR 94 0.840 34.252 85.841 27.574 -99.200 -91.000 TYR 95 0.840 28.706 91.997 25.989 -99.200 -91.000 PHE 101 1.000 21.046 90.558 45.345 -99.200 -91.000 TYR 104 0.840 11.292 96.049 51.632 -99.200 -91.000 HIS 106 0.900 11.973 88.586 46.643 -99.200 -91.000 TYR 107 0.840 14.409 96.760 40.199 -99.200 -91.000 TYR 111 0.840 23.871 102.664 34.432 -99.200 -91.000 TRP 112 1.040 24.064 95.183 30.582 -99.200 -91.000 TRP6 112 1.020 24.115 92.965 29.784 -99.200 -91.000 PHE 131 1.000 43.591 94.950 -0.884 -99.200 -91.000 TYR 154 0.840 39.570 91.626 10.128 -99.200 -91.000 PHE 155 1.000 41.817 83.980 13.766 -99.200 -91.000 TRP 163 1.040 35.351 106.374 6.844 -99.200 -91.000 TRP6 163 1.020 36.389 106.121 4.749 -99.200 -91.000 HIS 173 0.900 25.272 103.278 6.588 -99.200 -91.000 PHE 175 1.000 28.110 97.761 4.677 -99.200 -91.000 TYR 185 0.840 36.459 86.663 11.894 -99.200 -91.000 TYR 203 0.840 36.085 112.766 1.422 -99.200 -91.000 HIS 209 0.900 43.623 92.533 13.594 -99.200 -91.000