============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 27 0.840 20.765 52.273 70.910 -99.200 -91.000 PHE 29 1.000 21.408 59.251 70.862 -99.200 -91.000 PHE 32 1.000 20.660 51.720 76.589 -99.200 -91.000 TYR 33 0.840 27.448 56.526 80.322 -99.200 -91.000 TYR 35 0.840 30.929 54.110 75.722 -99.200 -91.000 TRP 36 1.040 31.843 59.910 69.253 -99.200 -91.000 TRP6 36 1.020 31.421 59.777 66.937 -99.200 -91.000 TRP 47 1.040 37.172 56.203 74.907 -99.200 -91.000 TRP6 47 1.020 37.505 57.468 76.867 -99.200 -91.000 TYR 60 0.840 35.656 65.692 75.731 -99.200 -91.000 PHE 64 1.000 42.492 62.328 71.102 -99.200 -91.000 TYR 80 0.840 25.201 65.929 65.139 -99.200 -91.000 TYR 93 0.840 38.790 60.597 63.689 -99.200 -91.000 TYR 94 0.840 36.630 52.107 63.340 -99.200 -91.000 TRP 100 1.040 21.527 43.940 74.444 -99.200 -91.000 TRP6 100 1.020 22.131 44.407 72.213 -99.200 -91.000 PHE 105 1.000 33.815 51.365 73.470 -99.200 -91.000 TRP 108 1.040 32.502 48.198 67.681 -99.200 -91.000 TRP6 108 1.020 34.397 49.504 68.197 -99.200 -91.000 PHE 127 1.000 54.205 58.435 36.343 -99.200 -91.000 TYR 150 0.840 46.832 57.615 46.143 -99.200 -91.000 PHE 151 1.000 45.032 64.258 50.935 -99.200 -91.000 TRP 159 1.040 46.538 43.889 38.341 -99.200 -91.000 TRP6 159 1.020 48.316 44.420 36.885 -99.200 -91.000 HIS 169 0.900 51.649 39.139 46.195 -99.200 -91.000 PHE 171 1.000 54.087 45.339 47.591 -99.200 -91.000 TYR 181 0.840 47.501 59.076 51.585 -99.200 -91.000 TYR 199 0.840 49.879 39.496 31.954 -99.200 -91.000 HIS 205 0.900 42.082 59.436 44.273 -99.200 -91.000