============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 27 0.840 67.966 34.077 96.422 -99.200 -91.000 PHE 29 1.000 63.851 30.033 100.524 -99.200 -91.000 TYR 32 0.840 67.392 39.151 97.729 -99.200 -91.000 TRP 33 1.040 59.016 40.673 100.024 -99.200 -91.000 TRP6 33 1.020 57.046 40.131 101.209 -99.200 -91.000 TRP 36 1.040 54.802 31.192 94.318 -99.200 -91.000 TRP6 36 1.020 55.485 29.127 93.379 -99.200 -91.000 TRP 47 1.040 52.015 39.501 92.102 -99.200 -91.000 TRP6 47 1.020 50.736 40.687 93.738 -99.200 -91.000 PHE 51 1.000 55.620 32.527 102.597 -99.200 -91.000 TYR 52 0.840 61.352 38.709 103.777 -99.200 -91.000 TYR 60 0.840 47.992 34.528 99.597 -99.200 -91.000 PHE 64 1.000 45.466 34.370 91.300 -99.200 -91.000 HIS 80 0.900 57.221 23.500 99.041 -99.200 -91.000 TRP 83 1.040 45.981 25.729 93.390 -99.200 -91.000 TRP6 83 1.020 48.093 25.400 92.422 -99.200 -91.000 TYR 93 0.840 49.672 27.670 88.252 -99.200 -91.000 TYR 94 0.840 57.013 31.185 83.659 -99.200 -91.000 TYR 102 0.840 67.047 47.353 89.722 -99.200 -91.000 PHE 110 1.000 57.820 39.577 91.160 -99.200 -91.000 PHE 112 1.000 69.065 36.468 88.933 -99.200 -91.000 TRP 113 1.040 61.179 36.148 86.106 -99.200 -91.000 TRP6 113 1.020 58.839 36.100 85.933 -99.200 -91.000 PHE 132 1.000 28.601 11.941 64.995 -99.200 -91.000 TYR 155 0.840 39.861 13.107 71.187 -99.200 -91.000 PHE 156 1.000 40.703 13.467 79.843 -99.200 -91.000 TRP 164 1.040 41.726 10.935 55.811 -99.200 -91.000 TRP6 164 1.020 39.404 11.133 55.399 -99.200 -91.000 HIS 174 0.900 45.827 21.008 58.453 -99.200 -91.000 PHE 176 1.000 42.374 22.114 60.152 -99.200 -91.000 TYR 186 0.840 41.759 17.281 74.975 -99.200 -91.000 TYR 204 0.840 38.093 9.780 48.572 -99.200 -91.000 HIS 210 0.900 40.937 8.110 73.197 -99.200 -91.000