============================================================================= 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 11.040 -85.763 40.057 -99.200 -91.000 PHE 14 1.000 15.083 -78.770 35.949 -99.200 -91.000 TYR 18 0.840 15.645 -78.317 29.971 -99.200 -91.000 HIS 65 0.900 -0.657-106.004 13.905 -99.200 -91.000 HIS 83 0.900 11.652-102.440 22.748 -99.200 -91.000 HIS 91 0.900 1.914-111.154 21.842 -99.200 -91.000 TYR 94 0.840 8.999-115.378 23.009 -99.200 -91.000 TYR 95 0.840 2.343-114.945 24.696 -99.200 -91.000 PHE 115 1.000 15.341 -90.297 30.942 -99.200 -91.000 PHE 130 1.000 14.510 -93.408 22.977 -99.200 -91.000 HIS 139 0.900 -8.119-104.176 12.882 -99.200 -91.000 TYR 145 0.840 -9.458-100.039 11.043 -99.200 -91.000 PHE 148 1.000 -2.850 -96.686 21.543 -99.200 -91.000 HIS 149 0.900 1.630 -87.391 21.317 -99.200 -91.000 PHE 156 1.000 0.131 -96.043 26.210 -99.200 -91.000 TYR 157 0.840 -2.992 -88.759 27.520 -99.200 -91.000 TYR 159 0.840 -4.191 -87.418 21.449 -99.200 -91.000 TRP 179 1.040 -12.050 -87.775 14.316 -99.200 -91.000 TRP6 179 1.020 -13.561 -88.557 15.954 -99.200 -91.000 HIS 180 0.900 -17.381 -86.178 10.658 -99.200 -91.000 PHE 218 1.000 2.537 -98.303 7.513 -99.200 -91.000 TYR 221 0.840 -2.686 -93.625 1.155 -99.200 -91.000