============================================================================= 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 11.076 -85.228 39.566 -99.200 -91.000 PHE 14 1.000 15.088 -78.320 35.479 -99.200 -91.000 TYR 18 0.840 15.702 -77.786 29.640 -99.200 -91.000 HIS 65 0.900 -0.198-106.043 14.057 -99.200 -91.000 HIS 83 0.900 12.013-102.073 22.589 -99.200 -91.000 HIS 91 0.900 2.393-110.740 21.873 -99.200 -91.000 TYR 94 0.840 9.119-115.084 23.408 -99.200 -91.000 TYR 95 0.840 2.629-114.607 24.514 -99.200 -91.000 PHE 115 1.000 15.906 -89.416 30.848 -99.200 -91.000 PHE 130 1.000 14.679 -93.090 22.820 -99.200 -91.000 HIS 139 0.900 -8.106-104.072 13.274 -99.200 -91.000 TYR 145 0.840 -9.436-100.014 11.367 -99.200 -91.000 PHE 148 1.000 -2.513 -96.461 21.803 -99.200 -91.000 HIS 149 0.900 2.097 -87.404 21.389 -99.200 -91.000 PHE 156 1.000 0.782 -95.907 26.311 -99.200 -91.000 TYR 157 0.840 -2.697 -88.407 27.480 -99.200 -91.000 TYR 159 0.840 -3.822 -87.217 21.555 -99.200 -91.000 TRP 179 1.040 -12.105 -87.798 14.534 -99.200 -91.000 TRP6 179 1.020 -13.524 -88.439 16.315 -99.200 -91.000 HIS 180 0.900 -17.851 -86.873 10.875 -99.200 -91.000 PHE 218 1.000 2.531 -98.400 7.512 -99.200 -91.000 TYR 221 0.840 -2.687 -93.731 1.040 -99.200 -91.000