============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 7 1.000 1.795 11.511 26.078 -99.200 -91.000 PHE 26 1.000 9.446 10.113 31.406 -99.200 -91.000 PHE 31 1.000 14.563 0.714 42.287 -99.200 -91.000 HIS 32 0.900 12.000 6.320 46.324 -99.200 -91.000 PHE 34 1.000 14.175 -1.003 51.500 -99.200 -91.000 PHE 43 1.000 -1.403 14.260 37.059 -99.200 -91.000 PHE 57 1.000 5.945 11.911 28.161 -99.200 -91.000 TRP 60 1.040 -4.470 10.293 35.688 -99.200 -91.000 TRP6 60 1.020 -5.158 10.688 37.913 -99.200 -91.000 TYR 68 0.840 -6.758 0.080 45.308 -99.200 -91.000 HIS 69 0.900 -10.277 -5.066 36.548 -99.200 -91.000 TYR 75 0.840 -7.509 6.598 38.198 -99.200 -91.000 TYR 76 0.840 -9.624 1.731 30.950 -99.200 -91.000 TYR 86 0.840 6.036 -8.651 30.731 -99.200 -91.000 PHE 94 1.000 3.844 -12.292 28.536 -99.200 -91.000 TRP 100 1.040 -4.249 -4.574 33.897 -99.200 -91.000 TRP6 100 1.020 -6.099 -3.222 34.491 -99.200 -91.000 PHE 131 1.000 13.379 -8.845 23.823 -99.200 -91.000 TYR 137 0.840 0.567 -10.023 24.136 -99.200 -91.000 PHE 145 1.000 8.716 -6.692 25.057 -99.200 -91.000 PHE 160 1.000 7.307 6.845 31.042 -99.200 -91.000