============================================================================= 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 11.133 -85.367 39.514 -99.200 -91.000 PHE 14 1.000 15.282 -78.406 35.486 -99.200 -91.000 TYR 18 0.840 15.877 -77.964 29.521 -99.200 -91.000 HIS 65 0.900 -0.140-106.072 13.998 -99.200 -91.000 HIS 83 0.900 12.028-102.119 22.591 -99.200 -91.000 HIS 91 0.900 2.479-110.805 21.667 -99.200 -91.000 TYR 94 0.840 9.096-115.068 23.357 -99.200 -91.000 TYR 95 0.840 2.645-114.730 24.344 -99.200 -91.000 PHE 115 1.000 15.967 -89.624 30.800 -99.200 -91.000 PHE 130 1.000 14.779 -93.215 22.743 -99.200 -91.000 HIS 139 0.900 -8.026-104.138 13.003 -99.200 -91.000 TYR 145 0.840 -9.162-100.047 11.150 -99.200 -91.000 PHE 148 1.000 -2.456 -96.488 21.631 -99.200 -91.000 HIS 149 0.900 2.176 -87.383 21.325 -99.200 -91.000 PHE 156 1.000 0.915 -96.011 26.269 -99.200 -91.000 TYR 157 0.840 -2.871 -88.459 27.384 -99.200 -91.000 TYR 159 0.840 -3.798 -87.374 21.351 -99.200 -91.000 TRP 179 1.040 -11.915 -87.902 14.275 -99.200 -91.000 TRP6 179 1.020 -13.407 -88.594 15.975 -99.200 -91.000 HIS 180 0.900 -17.601 -86.875 10.640 -99.200 -91.000 PHE 218 1.000 2.876 -98.403 7.418 -99.200 -91.000 TYR 221 0.840 -2.320 -93.855 0.867 -99.200 -91.000