============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 46 1.000 -13.384 -25.490 -32.684 -99.200 -91.000 PHE 56 1.000 0.178 -26.267 -35.068 -99.200 -91.000 HIS 58 0.900 9.730 -25.719 -31.883 -99.200 -91.000 PHE 78 1.000 -2.324 -24.109 -14.146 -99.200 -91.000 TYR 81 0.840 7.743 -22.473 -12.617 -99.200 -91.000 HIS 85 0.900 2.668 -7.811 -19.520 -99.200 -91.000 TYR 87 0.840 10.020 -15.014 -14.746 -99.200 -91.000 TYR 90 0.840 4.140 -11.871 -10.168 -99.200 -91.000 HIS 99 0.900 18.741 -7.302 -13.730 -99.200 -91.000 PHE 108 1.000 12.513 -15.312 -20.345 -99.200 -91.000 TYR 118 0.840 6.195 -26.774 -35.212 -99.200 -91.000 PHE 124 1.000 -2.929 -22.590 -36.693 -99.200 -91.000 HIS 126 0.900 -0.192 -16.397 -31.472 -99.200 -91.000 PHE 147 1.000 -0.700 -22.107 -30.986 -99.200 -91.000 TRP 153 1.040 1.029 -6.569 -28.095 -99.200 -91.000 TRP6 153 1.020 -0.131 -5.394 -26.393 -99.200 -91.000 TYR 164 0.840 -2.649 -10.996 -38.092 -99.200 -91.000 TRP 171 1.040 3.072 -4.175 -35.683 -99.200 -91.000 TRP6 171 1.020 3.528 -2.268 -37.002 -99.200 -91.000 PHE 173 1.000 9.814 -12.212 -32.207 -99.200 -91.000 TRP 178 1.040 9.214 -1.237 -26.787 -99.200 -91.000 TRP6 178 1.020 7.702 -0.786 -25.040 -99.200 -91.000 TYR 188 0.840 3.052 1.794 -29.997 -99.200 -91.000 HIS 194 0.900 -8.493 8.233 -28.942 -99.200 -91.000 TYR 197 0.840 -4.869 3.913 -39.869 -99.200 -91.000 TYR 199 0.840 2.859 7.395 -31.758 -99.200 -91.000 HIS 202 0.900 0.676 12.031 -38.852 -99.200 -91.000 HIS 204 0.900 5.599 10.129 -34.602 -99.200 -91.000 TYR 217 0.840 14.617 0.839 -31.612 -99.200 -91.000 TYR 221 0.840 12.515 1.568 -36.874 -99.200 -91.000 TRP 224 1.040 7.429 -2.922 -34.440 -99.200 -91.000 TRP6 224 1.020 9.046 -1.967 -33.002 -99.200 -91.000 PHE 234 1.000 7.290 -14.719 -36.694 -99.200 -91.000