============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 6 1.000 -8.785 47.427 33.782 -99.200 -91.000 TYR 7 0.840 -2.707 41.522 36.884 -99.200 -91.000 PHE 25 1.000 -16.399 36.563 38.687 -99.200 -91.000 TYR 47 0.840 -13.640 45.841 30.812 -99.200 -91.000 TYR 49 0.840 -21.776 44.337 35.695 -99.200 -91.000 TRP 57 1.040 4.309 45.658 47.187 -99.200 -91.000 TRP6 57 1.020 6.358 44.550 47.603 -99.200 -91.000 TRP 66 1.040 -3.546 49.032 40.923 -99.200 -91.000 TRP6 66 1.020 -5.411 49.948 39.792 -99.200 -91.000 TYR 70 0.840 -4.795 57.894 44.158 -99.200 -91.000 PHE 78 1.000 -13.899 54.805 38.093 -99.200 -91.000 TYR 85 0.840 -12.460 48.600 45.153 -99.200 -91.000 PHE 86 1.000 -7.712 40.802 43.092 -99.200 -91.000 TYR 94 0.840 5.130 45.282 56.180 -99.200 -91.000 PHE 98 1.000 -4.197 42.044 56.288 -99.200 -91.000 TYR 119 0.840 -19.087 46.726 51.439 -99.200 -91.000 TRP 120 1.040 -13.215 38.214 52.973 -99.200 -91.000 TRP6 120 1.020 -14.444 36.544 51.828 -99.200 -91.000 TYR 125 0.840 -8.608 38.228 56.637 -99.200 -91.000 PHE 127 1.000 -7.340 43.827 60.497 -99.200 -91.000 PHE 138 1.000 -9.998 43.202 55.876 -99.200 -91.000 TRP 159 1.040 -14.732 38.803 47.180 -99.200 -91.000 TRP6 159 1.020 -13.557 39.639 45.300 -99.200 -91.000 PHE 167 1.000 -19.169 42.330 39.581 -99.200 -91.000