============================================================================= 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. TRP 4 1.040 55.392 86.007 45.684 -99.200 -91.000 TRP6 4 1.020 54.514 85.959 47.891 -99.200 -91.000 PHE 31 1.000 60.230 68.964 73.750 -99.200 -91.000 TRP 51 1.040 59.029 79.506 74.830 -99.200 -91.000 TRP6 51 1.020 60.768 81.061 74.479 -99.200 -91.000 TRP 56 1.040 60.148 70.357 58.556 -99.200 -91.000 TRP6 56 1.020 59.052 71.681 60.192 -99.200 -91.000 TYR 60 0.840 59.331 70.895 47.579 -99.200 -91.000 TYR 61 0.840 59.439 73.294 52.024 -99.200 -91.000 TRP 81 1.040 53.618 67.576 57.219 -99.200 -91.000 TRP6 81 1.020 55.568 67.393 58.556 -99.200 -91.000 PHE 87 1.000 52.682 69.242 74.474 -99.200 -91.000 TYR 88 0.840 52.626 60.415 71.801 -99.200 -91.000 TYR 112 0.840 55.331 75.484 64.510 -99.200 -91.000 PHE 120 1.000 51.712 68.332 80.670 -99.200 -91.000 TRP 142 1.040 46.842 61.358 67.625 -99.200 -91.000 TRP6 142 1.020 47.224 60.671 69.855 -99.200 -91.000 HIS 144 0.900 52.769 62.645 59.879 -99.200 -91.000 PHE 149 1.000 57.430 63.639 63.216 -99.200 -91.000 TYR 164 0.840 66.407 80.317 77.167 -99.200 -91.000 PHE 165 1.000 60.818 76.963 86.242 -99.200 -91.000 PHE 170 1.000 54.588 76.312 91.564 -99.200 -91.000 TYR 184 0.840 52.402 54.181 71.072 -99.200 -91.000 TYR 191 0.840 52.736 56.177 65.476 -99.200 -91.000 PHE 198 1.000 57.778 69.371 84.989 -99.200 -91.000 PHE 200 1.000 56.126 71.372 90.384 -99.200 -91.000