============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 33 1.000 22.082 27.411 33.153 -99.200 -91.000 HIS 49 0.900 6.209 19.565 20.739 -99.200 -91.000 TYR 55 0.840 5.877 3.061 22.377 -99.200 -91.000 TYR 66 0.840 24.699 28.855 36.521 -99.200 -91.000 PHE 81 1.000 34.609 29.241 22.643 -99.200 -91.000 TRP 92 1.040 34.803 33.830 19.994 -99.200 -91.000 TRP6 92 1.020 34.698 31.473 19.812 -99.200 -91.000 HIS 111 0.900 25.602 28.749 40.416 -99.200 -91.000 PHE 120 1.000 31.177 10.646 34.265 -99.200 -91.000 PHE 136 1.000 40.072 17.502 39.937 -99.200 -91.000 HIS 138 0.900 37.942 27.373 39.845 -99.200 -91.000 TYR 160 0.840 33.119 8.178 7.542 -99.200 -91.000 TYR 161 0.840 38.366 11.922 7.610 -99.200 -91.000 HIS 181 0.900 39.443 18.445 20.450 -99.200 -91.000 TYR 191 0.840 49.509 2.027 20.885 -99.200 -91.000 PHE 201 1.000 43.646 -4.323 6.495 -99.200 -91.000 PHE 216 1.000 48.325 8.977 11.107 -99.200 -91.000 TYR 234 0.840 25.791 21.644 14.309 -99.200 -91.000 TYR 248 0.840 27.995 8.088 35.698 -99.200 -91.000 TYR 266 0.840 50.278 8.428 28.778 -99.200 -91.000 HIS 268 0.900 53.854 15.167 30.842 -99.200 -91.000 PHE 272 1.000 41.584 16.915 34.751 -99.200 -91.000 PHE 300 1.000 50.362 11.981 26.872 -99.200 -91.000 HIS 315 0.900 44.629 33.998 36.871 -99.200 -91.000 HIS 316 0.900 48.590 37.583 27.820 -99.200 -91.000 HIS 317 0.900 44.527 41.279 32.335 -99.200 -91.000