============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 25 1.000 9.654 -5.480 46.436 -99.200 -91.000 TRP 27 1.040 8.446 -0.861 36.481 -99.200 -91.000 TRP6 27 1.020 6.948 0.683 35.557 -99.200 -91.000 HIS 54 0.900 9.039 12.986 78.047 -99.200 -91.000 TYR 59 0.840 8.686 20.129 64.505 -99.200 -91.000 PHE 64 1.000 9.868 11.657 60.478 -99.200 -91.000 TYR 76 0.840 2.385 8.648 42.732 -99.200 -91.000 PHE 79 1.000 5.768 2.796 39.937 -99.200 -91.000 TRP 82 1.040 11.864 3.312 35.874 -99.200 -91.000 TRP6 82 1.020 11.618 2.806 38.159 -99.200 -91.000 TRP 115 1.040 14.908 16.427 73.085 -99.200 -91.000 TRP6 115 1.020 16.751 17.073 74.366 -99.200 -91.000 HIS 117 0.900 20.775 20.789 65.845 -99.200 -91.000 TRP 118 1.040 11.650 22.361 70.646 -99.200 -91.000 TRP6 118 1.020 10.260 21.420 69.012 -99.200 -91.000 HIS 142 0.900 25.632 15.927 41.245 -99.200 -91.000 TYR 147 0.840 16.264 12.017 45.065 -99.200 -91.000 TYR 158 0.840 13.037 19.680 58.587 -99.200 -91.000