============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 4 1.000 10.750 -85.188 39.498 -99.200 -91.000 PHE 11 1.000 14.925 -78.374 35.175 -99.200 -91.000 TYR 15 0.840 15.052 -77.912 29.230 -99.200 -91.000 HIS 62 0.900 -0.578-106.127 13.828 -99.200 -91.000 HIS 80 0.900 11.582-102.242 22.121 -99.200 -91.000 HIS 88 0.900 2.225-110.904 21.331 -99.200 -91.000 TYR 91 0.840 9.181-115.317 23.180 -99.200 -91.000 TYR 92 0.840 2.611-114.834 24.164 -99.200 -91.000 PHE 118 1.000 14.579 -93.155 22.116 -99.200 -91.000 HIS 127 0.900 -8.093-104.286 12.981 -99.200 -91.000 TYR 132 0.840 -9.641-100.208 11.110 -99.200 -91.000 PHE 135 1.000 -2.805 -96.573 21.464 -99.200 -91.000 HIS 136 0.900 1.936 -87.617 20.808 -99.200 -91.000 PHE 143 1.000 0.560 -95.977 25.958 -99.200 -91.000 TYR 144 0.840 -2.664 -88.697 27.325 -99.200 -91.000 TYR 146 0.840 -3.787 -87.485 21.189 -99.200 -91.000 TRP 166 1.040 -12.351 -88.094 14.315 -99.200 -91.000 TRP6 166 1.020 -13.611 -88.641 16.242 -99.200 -91.000 HIS 167 0.900 -18.010 -86.819 10.938 -99.200 -91.000 PHE 205 1.000 2.332 -98.566 7.346 -99.200 -91.000 TYR 208 0.840 -2.988 -94.032 0.468 -99.200 -91.000