============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 3 1.000 15.329 -32.623 28.329 -99.200 -91.000 PHE 9 1.000 24.553 -33.626 27.716 -99.200 -91.000 HIS 21 0.900 20.298 -35.330 26.396 -99.200 -91.000 TYR 22 0.840 23.102 -41.640 28.540 -99.200 -91.000 HIS 23 0.900 16.074 -37.417 28.443 -99.200 -91.000 HIS 37 0.900 15.231 -39.892 18.525 -99.200 -91.000 TRP 46 1.040 11.019 -35.535 28.462 -99.200 -91.000 TRP6 46 1.020 11.394 -37.103 30.162 -99.200 -91.000 PHE 49 1.000 10.734 -43.950 22.495 -99.200 -91.000 HIS 59 0.900 6.814 -53.180 34.857 -99.200 -91.000 PHE 60 1.000 11.506 -54.086 31.051 -99.200 -91.000 HIS 61 0.900 19.899 -48.911 33.609 -99.200 -91.000 TYR 70 0.840 16.978 -36.993 14.363 -99.200 -91.000 HIS 72 0.900 19.348 -31.091 24.639 -99.200 -91.000 HIS 79 0.900 25.221 -38.777 8.532 -99.200 -91.000 PHE 82 1.000 20.745 -41.155 11.435 -99.200 -91.000 TYR 85 0.840 26.952 -40.553 12.410 -99.200 -91.000 PHE 94 1.000 24.359 -51.450 23.526 -99.200 -91.000 PHE 117 1.000 24.029 -52.278 18.888 -99.200 -91.000 TYR 121 0.840 28.591 -52.860 15.980 -99.200 -91.000 PHE 141 1.000 0.920 -55.542 -2.467 -99.200 -91.000 PHE 155 1.000 10.557 -28.561 8.484 -99.200 -91.000 PHE 167 1.000 7.091 -35.329 9.312 -99.200 -91.000 TYR 173 0.840 -7.847 -43.659 12.467 -99.200 -91.000 PHE 187 1.000 8.755 -23.405 12.029 -99.200 -91.000 PHE 206 1.000 18.232 -43.932 4.947 -99.200 -91.000 PHE 211 1.000 23.340 -48.692 -3.060 -99.200 -91.000 TRP 217 1.040 14.848 -54.525 1.415 -99.200 -91.000 TRP6 217 1.020 15.107 -55.902 -0.476 -99.200 -91.000 TYR 221 0.840 19.718 -64.288 5.262 -99.200 -91.000 TRP 231 1.040 3.930 -51.299 10.108 -99.200 -91.000 TRP6 231 1.020 5.980 -52.492 9.965 -99.200 -91.000 HIS 256 0.900 -0.940 -56.761 18.814 -99.200 -91.000 PHE 258 1.000 -1.578 -52.179 19.099 -99.200 -91.000 HIS 263 0.900 6.045 -43.645 11.288 -99.200 -91.000 TRP 264 1.040 4.455 -39.939 15.772 -99.200 -91.000 TRP6 264 1.020 3.813 -37.758 16.406 -99.200 -91.000 PHE 270 1.000 -1.299 -43.984 27.109 -99.200 -91.000 PHE 273 1.000 5.546 -49.274 22.616 -99.200 -91.000 PHE 280 1.000 9.290 -59.761 21.989 -99.200 -91.000