============================================================================= 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. PHE 7 1.000 10.580 -85.855 40.154 -99.200 -91.000 PHE 14 1.000 14.598 -78.850 36.306 -99.200 -91.000 TYR 18 0.840 15.054 -78.244 30.243 -99.200 -91.000 HIS 65 0.900 -0.985-106.008 13.981 -99.200 -91.000 HIS 83 0.900 11.128-102.236 22.914 -99.200 -91.000 HIS 91 0.900 1.792-111.043 22.042 -99.200 -91.000 TYR 94 0.840 8.877-115.293 23.151 -99.200 -91.000 TYR 95 0.840 2.095-114.907 24.766 -99.200 -91.000 PHE 115 1.000 15.046 -90.166 31.131 -99.200 -91.000 PHE 130 1.000 14.033 -93.260 23.243 -99.200 -91.000 HIS 139 0.900 -8.400-104.272 13.019 -99.200 -91.000 TYR 145 0.840 -9.888-100.135 11.274 -99.200 -91.000 PHE 148 1.000 -3.246 -96.715 21.753 -99.200 -91.000 HIS 149 0.900 1.177 -87.422 21.498 -99.200 -91.000 PHE 156 1.000 -0.259 -96.085 26.370 -99.200 -91.000 TYR 157 0.840 -3.469 -88.793 27.857 -99.200 -91.000 TYR 159 0.840 -4.663 -87.582 21.668 -99.200 -91.000 TRP 179 1.040 -12.519 -87.833 14.504 -99.200 -91.000 TRP6 179 1.020 -13.964 -88.640 16.191 -99.200 -91.000 HIS 180 0.900 -17.998 -86.426 10.983 -99.200 -91.000 PHE 218 1.000 2.197 -98.357 7.634 -99.200 -91.000 TYR 221 0.840 -3.030 -93.628 1.233 -99.200 -91.000