============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. HIS 3 0.900 -8.660 -23.409 12.477 -99.200 -91.000 PHE 15 1.000 -11.438 -9.806 26.960 -99.200 -91.000 PHE 28 1.000 -12.403 5.349 19.563 -99.200 -91.000 PHE 46 1.000 -22.365 -11.437 16.122 -99.200 -91.000 TYR 66 0.840 -18.314 -23.159 24.179 -99.200 -91.000 TRP 72 1.040 -17.891 -32.549 13.500 -99.200 -91.000 TRP6 72 1.020 -16.613 -33.506 15.238 -99.200 -91.000 HIS 91 0.900 -14.424 -16.025 31.189 -99.200 -91.000 PHE 98 1.000 -15.537 -5.619 26.334 -99.200 -91.000 TYR 103 0.840 -29.594 -9.685 25.072 -99.200 -91.000 TYR 106 0.840 -19.592 -7.193 13.867 -99.200 -91.000 PHE 109 1.000 -17.508 -13.176 17.648 -99.200 -91.000 PHE 129 1.000 -2.390 9.542 24.750 -99.200 -91.000 PHE 132 1.000 -10.051 6.233 24.861 -99.200 -91.000 PHE 149 1.000 -15.900 3.230 31.018 -99.200 -91.000 TRP 159 1.040 -6.585 8.135 37.842 -99.200 -91.000 TRP6 159 1.020 -6.660 7.822 35.503 -99.200 -91.000 HIS 160 0.900 -4.017 2.369 43.726 -99.200 -91.000 PHE 176 1.000 1.135 6.606 21.849 -99.200 -91.000 PHE 179 1.000 -3.958 4.223 25.296 -99.200 -91.000