============================================================================= 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 11.599 -85.727 39.521 -99.200 -91.000 PHE 14 1.000 15.526 -78.594 35.454 -99.200 -91.000 TYR 18 0.840 16.067 -78.335 29.548 -99.200 -91.000 HIS 65 0.900 -0.146-106.078 14.085 -99.200 -91.000 HIS 83 0.900 11.834-102.309 22.540 -99.200 -91.000 HIS 91 0.900 2.454-110.825 21.699 -99.200 -91.000 TYR 94 0.840 9.350-115.681 23.236 -99.200 -91.000 TYR 95 0.840 2.586-114.984 24.598 -99.200 -91.000 PHE 115 1.000 16.035 -89.728 30.921 -99.200 -91.000 PHE 130 1.000 14.732 -93.378 22.722 -99.200 -91.000 HIS 139 0.900 -7.748-104.096 12.945 -99.200 -91.000 TYR 144 0.840 -9.179-100.066 11.175 -99.200 -91.000 PHE 147 1.000 -2.220 -96.509 21.317 -99.200 -91.000 HIS 148 0.900 2.269 -87.374 21.055 -99.200 -91.000 PHE 155 1.000 0.874 -95.838 26.152 -99.200 -91.000 TYR 156 0.840 -2.505 -88.551 27.381 -99.200 -91.000 TYR 158 0.840 -3.636 -87.251 21.125 -99.200 -91.000 TRP 178 1.040 -11.895 -87.900 14.364 -99.200 -91.000 TRP6 178 1.020 -13.357 -88.541 16.095 -99.200 -91.000 HIS 179 0.900 -17.372 -86.851 10.362 -99.200 -91.000 PHE 217 1.000 2.791 -98.392 7.604 -99.200 -91.000 TYR 220 0.840 -2.313 -94.129 1.069 -99.200 -91.000