============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 36 1.000 57.323 22.404 39.994 -99.200 -91.000 TRP 39 1.040 65.404 18.655 28.822 -99.200 -91.000 TRP6 39 1.020 67.459 19.594 28.168 -99.200 -91.000 TYR 53 0.840 54.737 17.210 32.268 -99.200 -91.000 PHE 66 1.000 61.940 15.171 20.618 -99.200 -91.000 PHE 75 1.000 67.667 17.960 36.046 -99.200 -91.000 TYR 90 0.840 66.052 20.158 20.489 -99.200 -91.000 TYR 91 0.840 65.834 28.273 24.017 -99.200 -91.000 TRP 93 1.040 61.197 27.598 32.781 -99.200 -91.000 TRP6 93 1.020 59.640 26.350 34.056 -99.200 -91.000 HIS 97 0.900 65.892 26.536 43.882 -99.200 -91.000 PHE 98 1.000 61.005 35.522 42.494 -99.200 -91.000 TYR 100 0.840 59.439 30.448 38.857 -99.200 -91.000 PHE 102 1.000 62.684 30.086 29.567 -99.200 -91.000 PHE 122 1.000 66.776 37.720 -9.319 -99.200 -91.000 PHE 139 1.000 67.031 36.391 -3.976 -99.200 -91.000 PHE 143 1.000 74.558 28.411 1.218 -99.200 -91.000 TYR 144 0.840 75.362 20.692 5.530 -99.200 -91.000 TRP 152 1.040 77.579 41.880 -4.206 -99.200 -91.000 TRP6 152 1.020 75.861 41.804 -5.810 -99.200 -91.000 TYR 176 0.840 72.529 25.983 7.138 -99.200 -91.000 TYR 189 0.840 72.041 49.730 -12.250 -99.200 -91.000 HIS 192 0.900 80.785 52.272 -12.471 -99.200 -91.000 TYR 195 0.840 76.139 47.139 -12.131 -99.200 -91.000 HIS 201 0.900 79.074 25.524 -0.274 -99.200 -91.000 PHE 212 1.000 72.760 43.367 -13.795 -99.200 -91.000