============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. HIS 14 0.900 94.707 14.935 -36.054 -99.200 -91.000 TYR 24 0.840 85.965 15.006 -37.832 -99.200 -91.000 HIS 39 0.900 73.998 27.933 -27.511 -99.200 -91.000 HIS 49 0.900 95.489 12.601 -18.660 -99.200 -91.000 TYR 50 0.840 90.706 10.959 -23.301 -99.200 -91.000 TRP 51 1.040 96.107 19.657 -26.147 -99.200 -91.000 TRP6 51 1.020 96.288 21.422 -24.586 -99.200 -91.000 TYR 53 0.840 99.759 13.729 -19.533 -99.200 -91.000 PHE 59 1.000 88.559 4.096 -20.703 -99.200 -91.000 HIS 69 0.900 83.137 14.971 -21.247 -99.200 -91.000 HIS 84 0.900 62.323 11.621 -27.557 -99.200 -91.000 PHE 104 1.000 76.428 -4.749 -16.247 -99.200 -91.000 TYR 110 0.840 71.657 5.079 -18.324 -99.200 -91.000 PHE 117 1.000 78.792 7.652 -28.740 -99.200 -91.000 PHE 118 1.000 80.772 9.605 -21.271 -99.200 -91.000 PHE 131 1.000 75.161 21.661 -38.340 -99.200 -91.000 TYR 132 0.840 77.302 14.030 -30.782 -99.200 -91.000 HIS 134 0.900 74.170 11.285 -27.726 -99.200 -91.000 PHE 138 1.000 70.573 7.320 -23.091 -99.200 -91.000 TYR 140 0.840 67.606 13.020 -21.090 -99.200 -91.000 PHE 148 1.000 70.703 26.609 -26.526 -99.200 -91.000 HIS 162 0.900 76.013 7.346 -10.328 -99.200 -91.000 HIS 173 0.900 72.837 11.707 5.651 -99.200 -91.000 TYR 261 0.840 92.457 6.577 9.294 -99.200 -91.000 HIS 285 0.900 89.173 3.560 11.442 -99.200 -91.000 PHE 297 1.000 82.515 4.229 -16.047 -99.200 -91.000 TYR 299 0.840 76.988 11.152 -16.281 -99.200 -91.000 TRP 303 1.040 71.468 14.968 -19.186 -99.200 -91.000 TRP6 303 1.020 73.418 13.916 -18.349 -99.200 -91.000 HIS 323 0.900 87.580 33.400 -20.405 -99.200 -91.000 PHE 325 1.000 88.342 31.143 -23.868 -99.200 -91.000 PHE 334 1.000 90.701 21.763 -24.980 -99.200 -91.000 PHE 337 1.000 90.917 22.259 -17.484 -99.200 -91.000