============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 8 1.040 -22.487 11.328 39.672 -99.200 -91.000 TRP6 8 1.020 -21.129 13.205 39.237 -99.200 -91.000 PHE 12 1.000 -24.085 13.394 47.706 -99.200 -91.000 PHE 21 1.000 -17.620 14.714 43.668 -99.200 -91.000 TYR 43 0.840 -23.854 24.932 52.227 -99.200 -91.000 PHE 49 1.000 -9.988 32.417 54.359 -99.200 -91.000 HIS 66 0.900 12.348 24.959 52.817 -99.200 -91.000 PHE 69 1.000 3.667 28.886 60.138 -99.200 -91.000 TRP 71 1.040 2.381 24.595 71.670 -99.200 -91.000 TRP6 71 1.020 2.948 22.938 73.255 -99.200 -91.000 TRP 81 1.040 -4.627 21.639 65.668 -99.200 -91.000 TRP6 81 1.020 -6.570 22.850 66.234 -99.200 -91.000 PHE 99 1.000 -3.021 28.267 57.929 -99.200 -91.000 TYR 114 0.840 -3.285 39.723 48.842 -99.200 -91.000 PHE 118 1.000 -6.379 35.029 46.469 -99.200 -91.000 TYR 120 0.840 -12.488 31.698 49.537 -99.200 -91.000 PHE 132 1.000 -11.910 35.838 57.508 -99.200 -91.000 TRP 133 1.040 -10.904 30.374 58.927 -99.200 -91.000 TRP6 133 1.020 -9.631 32.183 59.738 -99.200 -91.000 PHE 148 1.000 -8.824 29.857 45.993 -99.200 -91.000 TYR 153 0.840 -3.795 21.825 37.341 -99.200 -91.000 TYR 179 0.840 -5.366 8.874 41.519 -99.200 -91.000 HIS 182 0.900 -1.541 19.130 44.379 -99.200 -91.000 PHE 187 1.000 -17.071 18.507 61.767 -99.200 -91.000 TRP 200 1.040 -16.819 23.377 52.999 -99.200 -91.000 TRP6 200 1.020 -17.500 24.017 50.834 -99.200 -91.000 TRP 201 1.040 -11.211 15.753 50.675 -99.200 -91.000 TRP6 201 1.020 -11.082 13.781 49.391 -99.200 -91.000 TRP 204 1.040 -5.134 19.862 41.675 -99.200 -91.000 TRP6 204 1.020 -4.953 21.824 42.970 -99.200 -91.000 TYR 212 0.840 -10.887 13.415 35.864 -99.200 -91.000 PHE 213 1.000 -9.041 21.805 38.086 -99.200 -91.000 PHE 214 1.000 -11.744 16.432 45.266 -99.200 -91.000 PHE 216 1.000 -19.263 15.396 50.124 -99.200 -91.000