============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 4 1.000 83.078 33.502 -9.520 -99.200 -91.000 HIS 5 0.900 86.835 33.914 -6.770 -99.200 -91.000 TYR 18 0.840 79.149 20.791 -8.179 -99.200 -91.000 TYR 31 0.840 67.047 37.886 -3.446 -99.200 -91.000 TYR 47 0.840 63.588 50.317 -11.924 -99.200 -91.000 PHE 50 1.000 58.393 40.897 -17.260 -99.200 -91.000 PHE 51 1.000 56.308 34.493 -12.508 -99.200 -91.000 TYR 52 0.840 65.215 36.897 -12.268 -99.200 -91.000 TYR 56 0.840 69.852 34.568 -13.715 -99.200 -91.000 TRP 63 1.040 85.625 37.065 -15.879 -99.200 -91.000 TRP6 63 1.020 84.731 37.700 -13.787 -99.200 -91.000 TYR 64 0.840 79.842 34.053 -21.981 -99.200 -91.000 PHE 70 1.000 78.200 30.780 -19.836 -99.200 -91.000 TYR 81 0.840 64.432 27.388 1.134 -99.200 -91.000 TRP 104 1.040 75.439 34.753 -26.115 -99.200 -91.000 TRP6 104 1.020 76.261 33.193 -27.675 -99.200 -91.000 TYR 115 0.840 58.090 16.920 -15.378 -99.200 -91.000 PHE 116 1.000 62.604 19.072 -15.402 -99.200 -91.000 TRP 119 1.040 62.327 17.669 -20.435 -99.200 -91.000 TRP6 119 1.020 61.678 19.929 -20.232 -99.200 -91.000 PHE 129 1.000 59.926 27.161 -19.095 -99.200 -91.000 HIS 135 0.900 57.165 39.289 -23.559 -99.200 -91.000 PHE 136 1.000 62.541 37.800 -16.202 -99.200 -91.000 PHE 137 1.000 66.680 36.493 -18.671 -99.200 -91.000 TYR 140 0.840 65.941 41.401 -16.988 -99.200 -91.000 TRP 153 1.040 65.632 30.109 -27.049 -99.200 -91.000 TRP6 153 1.020 66.082 29.921 -24.737 -99.200 -91.000 TYR 170 0.840 87.712 31.361 -11.749 -99.200 -91.000 PHE 174 1.000 88.907 35.976 -10.960 -99.200 -91.000