============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 2 1.000 61.683 -32.831 -36.163 -99.200 -91.000 PHE 11 1.000 57.115 -22.611 -23.747 -99.200 -91.000 HIS 37 0.900 55.698 -1.846 -26.393 -99.200 -91.000 HIS 53 0.900 59.374 -17.293 -34.353 -99.200 -91.000 HIS 64 0.900 58.213 -7.367 -39.243 -99.200 -91.000 PHE 91 1.000 62.706 -12.877 -30.325 -99.200 -91.000 HIS 96 0.900 71.790 -8.396 -23.352 -99.200 -91.000 TYR 107 0.840 62.167 5.297 -23.907 -99.200 -91.000 PHE 113 1.000 52.382 3.663 -31.026 -99.200 -91.000 PHE 120 1.000 56.792 -1.496 -32.561 -99.200 -91.000 PHE 140 1.000 60.620 -4.607 -22.924 -99.200 -91.000 PHE 148 1.000 68.877 -23.105 -15.503 -99.200 -91.000 TYR 149 0.840 61.353 -25.243 -19.296 -99.200 -91.000 PHE 229 1.000 83.903 -23.544 -20.847 -99.200 -91.000 TYR 241 0.840 91.888 -18.075 -10.832 -99.200 -91.000 TYR 266 0.840 79.207 -23.187 -20.977 -99.200 -91.000 TYR 269 0.840 72.120 -27.368 -13.929 -99.200 -91.000 PHE 275 1.000 77.279 -29.352 -9.481 -99.200 -91.000 TYR 290 0.840 87.007 -27.913 -3.425 -99.200 -91.000 HIS 292 0.900 79.731 -34.240 -10.170 -99.200 -91.000 TYR 295 0.840 89.642 -31.595 -8.305 -99.200 -91.000