============================================================================= 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. TYR 27 0.840 87.330 -8.075 52.080 -99.200 -91.000 PHE 29 1.000 83.746 -6.987 57.997 -99.200 -91.000 TRP 33 1.040 93.885 -8.892 61.599 -99.200 -91.000 TRP6 33 1.020 93.712 -8.469 63.921 -99.200 -91.000 TRP 36 1.040 88.999 1.788 61.244 -99.200 -91.000 TRP6 36 1.020 87.362 2.916 59.979 -99.200 -91.000 TRP 47 1.040 97.598 1.469 62.859 -99.200 -91.000 TRP6 47 1.020 98.277 0.616 64.972 -99.200 -91.000 TYR 52 0.840 90.096 -12.095 62.647 -99.200 -91.000 HIS 59 0.900 96.877 -6.029 68.335 -99.200 -91.000 TYR 60 0.840 91.442 0.867 69.879 -99.200 -91.000 PHE 64 1.000 94.436 8.493 66.218 -99.200 -91.000 TYR 80 0.840 79.192 0.652 61.902 -99.200 -91.000 TRP 83 1.040 86.591 10.590 66.889 -99.200 -91.000 TRP6 83 1.020 86.382 9.636 64.721 -99.200 -91.000 TYR 93 0.840 89.614 10.416 61.034 -99.200 -91.000 PHE 94 1.000 92.339 7.813 53.073 -99.200 -91.000 TYR 99 0.840 93.399 -11.044 53.579 -99.200 -91.000 PHE 101 1.000 102.745 -9.989 62.100 -99.200 -91.000 PHE 109 1.000 97.193 -1.205 57.023 -99.200 -91.000 TRP 112 1.040 95.050 1.526 51.313 -99.200 -91.000 TRP6 112 1.020 95.510 2.901 53.197 -99.200 -91.000 PHE 131 1.000 85.136 43.257 53.628 -99.200 -91.000 TYR 147 0.840 83.801 30.987 51.408 -99.200 -91.000 PHE 148 1.000 81.795 25.946 57.786 -99.200 -91.000 TRP 156 1.040 86.552 39.016 38.174 -99.200 -91.000 TRP6 156 1.020 86.862 40.913 39.541 -99.200 -91.000 HIS 166 0.900 94.836 31.670 39.802 -99.200 -91.000 PHE 168 1.000 95.560 33.906 43.970 -99.200 -91.000 TYR 178 0.840 86.352 26.568 54.269 -99.200 -91.000 TYR 196 0.840 88.264 46.078 34.891 -99.200 -91.000 HIS 202 0.900 78.327 30.276 50.707 -99.200 -91.000