============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. HIS 1 0.900 -27.500 -1.058 64.990 -99.200 -91.000 PHE 2 1.000 -27.937 -0.751 70.625 -99.200 -91.000 TYR 9 0.840 -32.986 8.835 77.375 -99.200 -91.000 TYR 16 0.840 -18.179 20.265 80.972 -99.200 -91.000 HIS 22 0.900 -16.861 26.182 75.489 -99.200 -91.000 PHE 23 1.000 -22.304 23.673 81.632 -99.200 -91.000 HIS 42 0.900 -31.810 30.745 75.710 -99.200 -91.000 PHE 45 1.000 -30.100 21.300 75.170 -99.200 -91.000 TYR 56 0.840 -37.160 12.499 68.245 -99.200 -91.000 TYR 65 0.840 -38.285 18.496 69.516 -99.200 -91.000 TYR 75 0.840 -31.875 22.387 61.539 -99.200 -91.000 PHE 86 1.000 -28.650 14.714 66.746 -99.200 -91.000 HIS 94 0.900 -16.603 9.143 82.223 -99.200 -91.000 TYR 95 0.840 -15.472 11.704 78.324 -99.200 -91.000 TYR 98 0.840 -25.867 12.751 72.863 -99.200 -91.000 HIS 103 0.900 -27.032 13.525 56.916 -99.200 -91.000 TRP 108 1.040 -21.155 14.131 58.414 -99.200 -91.000 TRP6 108 1.020 -22.738 15.186 57.004 -99.200 -91.000 PHE 109 1.000 -19.023 10.846 65.843 -99.200 -91.000 HIS 125 0.900 -11.629 12.678 63.292 -99.200 -91.000 TYR 126 0.840 -16.854 6.393 66.042 -99.200 -91.000 PHE 133 1.000 -21.362 17.139 73.506 -99.200 -91.000