============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 14 1.040 -14.801 24.959 44.833 -99.200 -91.000 TRP6 14 1.020 -16.344 26.707 45.268 -99.200 -91.000 PHE 19 1.000 -7.615 7.493 50.886 -99.200 -91.000 TRP 37 1.040 -20.466 14.356 34.448 -99.200 -91.000 TRP6 37 1.020 -19.030 12.909 33.257 -99.200 -91.000 HIS 43 0.900 -0.443 15.314 36.930 -99.200 -91.000 TYR 47 0.840 3.937 11.404 34.510 -99.200 -91.000 TRP 49 1.040 6.610 9.817 38.069 -99.200 -91.000 TRP6 49 1.020 5.709 11.263 39.714 -99.200 -91.000 PHE 53 1.000 -3.492 4.947 40.640 -99.200 -91.000 HIS 65 0.900 -11.158 22.272 57.250 -99.200 -91.000 TYR 70 0.840 -15.755 7.930 57.684 -99.200 -91.000 TYR 84 0.840 -16.034 9.573 29.918 -99.200 -91.000 HIS 86 0.900 -8.201 16.470 25.292 -99.200 -91.000 TYR 89 0.840 -2.009 12.831 30.058 -99.200 -91.000 TRP 91 1.040 2.042 9.894 28.480 -99.200 -91.000 TRP6 91 1.020 4.135 8.835 28.210 -99.200 -91.000 TYR 113 0.840 -20.012 21.409 56.281 -99.200 -91.000 HIS 115 0.900 -23.551 24.861 45.801 -99.200 -91.000 HIS 129 0.900 -8.020 40.714 31.551 -99.200 -91.000 PHE 132 1.000 -7.679 41.499 36.875 -99.200 -91.000 TRP 139 1.040 -6.670 18.086 52.679 -99.200 -91.000 TRP6 139 1.020 -8.459 17.758 51.170 -99.200 -91.000 TRP 146 1.040 17.591 17.148 51.225 -99.200 -91.000 TRP6 146 1.020 18.273 14.901 50.941 -99.200 -91.000