============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 18 1.000 -9.936 -21.597 23.472 -99.200 -91.000 HIS 22 0.900 -0.536 -11.932 16.233 -99.200 -91.000 HIS 24 0.900 -2.311 -11.733 10.950 -99.200 -91.000 PHE 32 1.000 -1.395 -8.716 -3.503 -99.200 -91.000 TRP 36 1.040 -2.485 -10.637 -8.845 -99.200 -91.000 TRP6 36 1.020 -0.119 -10.418 -8.590 -99.200 -91.000 PHE 39 1.000 0.059 -13.970 -4.097 -99.200 -91.000 PHE 40 1.000 -4.457 -13.367 -1.416 -99.200 -91.000 PHE 71 1.000 -3.977 1.697 4.816 -99.200 -91.000 HIS 90 0.900 -18.928 -13.823 18.975 -99.200 -91.000 TRP 98 1.040 2.722 -6.376 10.399 -99.200 -91.000 TRP6 98 1.020 3.106 -6.956 8.136 -99.200 -91.000 PHE 116 1.000 -5.744 5.065 9.572 -99.200 -91.000 PHE 117 1.000 -2.793 4.349 14.706 -99.200 -91.000 TYR 123 0.840 -16.879 7.586 9.852 -99.200 -91.000 PHE 145 1.000 5.211 6.018 10.458 -99.200 -91.000 HIS 167 0.900 6.344 -8.308 14.006 -99.200 -91.000 PHE 182 1.000 3.035 0.508 23.721 -99.200 -91.000 HIS 196 0.900 4.631 -11.982 16.391 -99.200 -91.000 TYR 205 0.840 11.786 -9.609 26.213 -99.200 -91.000 TYR 214 0.840 4.130 -3.426 29.734 -99.200 -91.000 HIS 220 0.900 5.695 -16.422 16.745 -99.200 -91.000 TYR 223 0.840 4.032 -18.593 12.568 -99.200 -91.000 TRP 243 1.040 4.199 -28.876 18.476 -99.200 -91.000 TRP6 243 1.020 3.012 -29.216 20.499 -99.200 -91.000 TYR 258 0.840 5.228 -13.090 36.842 -99.200 -91.000 TRP 268 1.040 -2.686 -21.495 10.117 -99.200 -91.000 TRP6 268 1.020 -0.432 -22.110 10.490 -99.200 -91.000 PHE 270 1.000 -8.273 -19.382 7.847 -99.200 -91.000 PHE 272 1.000 2.539 -14.537 5.686 -99.200 -91.000 TYR 275 0.840 8.357 -14.811 4.405 -99.200 -91.000 PHE 293 1.000 -0.100 -26.556 17.188 -99.200 -91.000 PHE 301 1.000 3.624 -29.851 25.481 -99.200 -91.000 PHE 323 1.000 -4.855 -7.167 25.252 -99.200 -91.000