============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 27 1.000 0.972 9.387 37.816 -99.200 -91.000 TRP 36 1.040 5.953 -2.385 36.602 -99.200 -91.000 TRP6 36 1.020 8.018 -1.247 36.551 -99.200 -91.000 TRP 47 1.040 -0.204 -4.718 30.261 -99.200 -91.000 TRP6 47 1.020 -1.482 -6.401 31.346 -99.200 -91.000 TRP 52 1.040 -5.765 -3.012 37.439 -99.200 -91.000 TRP6 52 1.020 -4.167 -2.423 35.769 -99.200 -91.000 TYR 59 0.840 0.393 -9.913 38.385 -99.200 -91.000 PHE 79 1.000 7.862 -0.523 45.654 -99.200 -91.000 HIS 83 0.900 9.501 -14.651 42.439 -99.200 -91.000 TYR 93 0.840 12.176 -5.698 32.174 -99.200 -91.000 TYR 94 0.840 10.280 1.699 27.716 -99.200 -91.000 TYR 101 0.840 -14.865 3.586 33.175 -99.200 -91.000 TYR 106 0.840 -9.833 1.200 31.646 -99.200 -91.000 TRP 111 1.040 4.109 5.044 27.352 -99.200 -91.000 TRP6 111 1.020 4.531 2.746 26.988 -99.200 -91.000 TYR 130 0.840 42.645 -6.822 20.614 -99.200 -91.000 TYR 147 0.840 31.708 -3.972 25.295 -99.200 -91.000 PHE 148 1.000 27.775 -8.781 31.255 -99.200 -91.000 TRP 156 1.040 36.773 6.880 15.999 -99.200 -91.000 TRP6 156 1.020 38.681 5.585 15.480 -99.200 -91.000 HIS 166 0.900 29.261 5.002 9.120 -99.200 -91.000 PHE 168 1.000 29.664 -0.644 11.662 -99.200 -91.000 TYR 177 0.840 26.969 -7.241 25.533 -99.200 -91.000 TRP 190 1.040 46.291 6.438 7.244 -99.200 -91.000 TRP6 190 1.020 46.472 5.680 9.483 -99.200 -91.000 HIS 201 0.900 32.876 -1.728 30.372 -99.200 -91.000