============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 14 1.000 -14.599 10.296 63.383 -99.200 -91.000 TYR 62 0.840 -10.002 15.607 66.517 -99.200 -91.000 PHE 71 1.000 -11.976 8.085 54.242 -99.200 -91.000 PHE 116 1.000 -8.717 5.145 39.489 -99.200 -91.000 PHE 159 1.000 1.232 11.816 33.152 -99.200 -91.000 TYR 309 0.840 -13.818 -10.637 21.324 -99.200 -91.000 TYR 313 0.840 -17.008 -4.712 14.736 -99.200 -91.000 PHE 314 1.000 -19.762 -1.215 9.915 -99.200 -91.000 PHE 333 1.000 -18.779 -10.062 18.661 -99.200 -91.000 PHE 334 1.000 -19.901 -13.592 9.824 -99.200 -91.000 TYR 335 0.840 -21.146 -5.785 13.828 -99.200 -91.000 TRP 353 1.040 -22.517 -11.959 20.570 -99.200 -91.000 TRP6 353 1.020 -22.166 -10.557 22.403 -99.200 -91.000 HIS 358 0.900 -26.715 -3.957 8.931 -99.200 -91.000 TRP 383 1.040 -29.813 -12.000 -1.813 -99.200 -91.000 TRP6 383 1.020 -30.624 -12.563 0.323 -99.200 -91.000 TYR 390 0.840 -40.816 -4.844 -18.248 -99.200 -91.000 TYR 419 0.840 -44.221 -16.374 -0.780 -99.200 -91.000 TRP 426 1.040 -42.647 -7.625 -8.095 -99.200 -91.000 TRP6 426 1.020 -40.997 -9.269 -7.697 -99.200 -91.000 TYR 431 0.840 -40.963 -0.755 -21.794 -99.200 -91.000 TYR 437 0.840 -37.826 -11.458 -1.813 -99.200 -91.000 PHE 439 1.000 -34.806 -12.174 4.627 -99.200 -91.000 PHE 452 1.000 -32.247 -15.019 7.631 -99.200 -91.000