============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 13 1.000 -7.334 -4.837 -27.976 -99.200 -91.000 TYR 61 0.840 -7.179 -12.454 -29.944 -99.200 -91.000 PHE 70 1.000 -1.174 -3.163 -20.578 -99.200 -91.000 PHE 115 1.000 7.249 0.273 -8.360 -99.200 -91.000 PHE 158 1.000 14.530 -8.838 -1.532 -99.200 -91.000 TYR 309 0.840 18.915 19.337 5.199 -99.200 -91.000 TYR 313 0.840 15.790 17.783 13.922 -99.200 -91.000 PHE 314 1.000 13.529 17.101 19.868 -99.200 -91.000 PHE 333 1.000 15.327 22.125 8.723 -99.200 -91.000 PHE 334 1.000 19.448 27.316 15.726 -99.200 -91.000 TRP 353 1.040 13.201 25.874 3.576 -99.200 -91.000 TRP6 353 1.020 11.664 24.091 3.938 -99.200 -91.000 HIS 358 0.900 9.709 23.686 21.518 -99.200 -91.000 TRP 383 1.040 15.242 34.279 28.630 -99.200 -91.000 TRP6 383 1.020 13.983 34.809 26.676 -99.200 -91.000 TYR 390 0.840 10.015 38.997 48.288 -99.200 -91.000 TYR 419 0.840 5.965 46.009 28.722 -99.200 -91.000 TRP 426 1.040 5.748 39.945 38.541 -99.200 -91.000 TRP6 426 1.020 7.737 40.237 37.268 -99.200 -91.000 TYR 431 0.840 11.384 33.677 49.113 -99.200 -91.000 TYR 437 0.840 8.913 38.493 30.605 -99.200 -91.000 PHE 439 1.000 8.936 35.876 23.827 -99.200 -91.000 PHE 452 1.000 11.171 36.102 19.646 -99.200 -91.000