============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 15 1.000 33.507 55.619 40.895 -99.200 -91.000 PHE 17 1.000 26.549 57.180 46.779 -99.200 -91.000 TYR 29 0.840 21.575 53.206 47.778 -99.200 -91.000 PHE 37 1.000 29.960 54.794 44.651 -99.200 -91.000 TRP 48 1.040 12.774 76.243 43.658 -99.200 -91.000 TRP6 48 1.020 13.692 78.156 42.588 -99.200 -91.000 PHE 58 1.000 14.112 78.203 51.489 -99.200 -91.000 PHE 60 1.000 17.202 74.122 53.487 -99.200 -91.000 TYR 69 0.840 26.425 57.994 53.155 -99.200 -91.000 TYR 78 0.840 29.235 68.569 42.155 -99.200 -91.000 HIS 80 0.900 22.173 67.962 40.101 -99.200 -91.000 TRP 84 1.040 17.587 71.141 35.747 -99.200 -91.000 TRP6 84 1.020 16.890 69.105 36.722 -99.200 -91.000 HIS 85 0.900 15.108 72.629 31.990 -99.200 -91.000 TRP 91 1.040 6.911 77.810 45.062 -99.200 -91.000 TRP6 91 1.020 8.479 79.581 45.081 -99.200 -91.000 PHE 100 1.000 11.501 82.799 37.586 -99.200 -91.000 HIS 107 0.900 15.783 77.115 45.673 -99.200 -91.000 HIS 114 0.900 20.077 74.047 55.855 -99.200 -91.000 PHE 115 1.000 22.069 71.649 52.281 -99.200 -91.000 TRP 122 1.040 26.128 74.856 46.512 -99.200 -91.000 TRP6 122 1.020 24.143 73.570 46.720 -99.200 -91.000 PHE 129 1.000 25.099 77.590 27.522 -99.200 -91.000 PHE 141 1.000 15.194 79.302 36.991 -99.200 -91.000 TYR 149 0.840 19.175 81.530 33.489 -99.200 -91.000 PHE 154 1.000 27.710 79.993 37.931 -99.200 -91.000 TYR 171 0.840 20.955 67.293 28.291 -99.200 -91.000 TYR 184 0.840 36.299 77.480 24.892 -99.200 -91.000 PHE 190 1.000 29.129 83.791 33.486 -99.200 -91.000 PHE 202 1.000 32.667 69.199 30.462 -99.200 -91.000 HIS 205 0.900 22.748 61.446 32.715 -99.200 -91.000 PHE 215 1.000 33.787 63.188 28.184 -99.200 -91.000 PHE 222 1.000 34.160 73.721 28.223 -99.200 -91.000 TYR 254 0.840 30.302 52.907 33.414 -99.200 -91.000 TRP 273 1.040 21.795 60.759 38.051 -99.200 -91.000 TRP6 273 1.020 22.591 62.623 39.289 -99.200 -91.000 TYR 279 0.840 16.597 50.879 44.418 -99.200 -91.000 TRP 281 1.040 18.720 58.726 34.799 -99.200 -91.000 TRP6 281 1.020 18.042 60.104 32.989 -99.200 -91.000 PHE 286 1.000 16.672 58.310 27.825 -99.200 -91.000 TRP 295 1.040 27.972 47.219 42.568 -99.200 -91.000 TRP6 295 1.020 29.242 49.210 42.577 -99.200 -91.000 TYR 299 0.840 21.764 46.462 45.675 -99.200 -91.000 TYR 305 0.840 34.217 46.968 41.386 -99.200 -91.000 PHE 312 1.000 38.889 56.674 39.095 -99.200 -91.000