============================================================================= 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 11.025 -85.387 39.713 -99.200 -91.000 PHE 14 1.000 15.107 -78.350 35.778 -99.200 -91.000 TYR 18 0.840 15.720 -77.921 29.914 -99.200 -91.000 HIS 65 0.900 -0.357-105.984 14.290 -99.200 -91.000 HIS 83 0.900 11.658-102.093 22.857 -99.200 -91.000 HIS 91 0.900 2.056-110.721 21.930 -99.200 -91.000 TYR 94 0.840 8.862-115.093 23.600 -99.200 -91.000 TYR 95 0.840 2.348-114.569 24.706 -99.200 -91.000 PHE 115 1.000 15.877 -89.483 31.175 -99.200 -91.000 PHE 130 1.000 14.425 -93.180 23.073 -99.200 -91.000 HIS 139 0.900 -8.288-104.018 13.405 -99.200 -91.000 TYR 145 0.840 -9.445 -99.863 11.572 -99.200 -91.000 PHE 148 1.000 -2.711 -96.397 21.941 -99.200 -91.000 HIS 149 0.900 1.976 -87.197 21.542 -99.200 -91.000 PHE 156 1.000 0.694 -95.991 26.642 -99.200 -91.000 TYR 157 0.840 -3.121 -88.366 27.850 -99.200 -91.000 TYR 159 0.840 -4.049 -87.233 21.778 -99.200 -91.000 TRP 179 1.040 -12.131 -87.772 14.748 -99.200 -91.000 TRP6 179 1.020 -13.629 -88.462 16.439 -99.200 -91.000 HIS 180 0.900 -17.775 -86.631 11.073 -99.200 -91.000 PHE 218 1.000 2.469 -98.268 7.710 -99.200 -91.000 TYR 221 0.840 -2.728 -93.680 1.276 -99.200 -91.000