============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 9 1.000 56.750 -22.790 -23.630 -99.200 -91.000 HIS 35 0.900 55.516 -1.764 -26.617 -99.200 -91.000 HIS 51 0.900 59.552 -17.293 -33.921 -99.200 -91.000 HIS 62 0.900 58.085 -7.475 -39.214 -99.200 -91.000 PHE 89 1.000 62.702 -12.732 -30.409 -99.200 -91.000 HIS 94 0.900 71.609 -8.158 -23.126 -99.200 -91.000 TYR 105 0.840 62.390 5.783 -24.221 -99.200 -91.000 PHE 111 1.000 52.828 2.552 -31.160 -99.200 -91.000 PHE 121 1.000 56.615 -1.465 -32.892 -99.200 -91.000 PHE 141 1.000 60.479 -4.375 -23.187 -99.200 -91.000 PHE 149 1.000 68.416 -22.847 -14.882 -99.200 -91.000 TYR 150 0.840 61.316 -25.507 -19.465 -99.200 -91.000 PHE 230 1.000 83.480 -23.233 -20.679 -99.200 -91.000 TYR 242 0.840 91.691 -17.834 -10.704 -99.200 -91.000 TYR 267 0.840 78.840 -22.993 -20.813 -99.200 -91.000 TYR 270 0.840 71.841 -27.174 -13.733 -99.200 -91.000 PHE 276 1.000 77.011 -29.231 -9.430 -99.200 -91.000 TYR 291 0.840 86.700 -27.870 -3.403 -99.200 -91.000 HIS 293 0.900 79.466 -34.137 -10.236 -99.200 -91.000 TYR 296 0.840 89.353 -31.424 -8.338 -99.200 -91.000