============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 2 1.000 12.342 7.406 46.793 -99.200 -91.000 TYR 4 0.840 9.716 14.060 43.324 -99.200 -91.000 TYR 5 0.840 15.943 18.684 51.411 -99.200 -91.000 TYR 17 0.840 14.491 36.863 39.873 -99.200 -91.000 PHE 34 1.000 17.711 38.074 35.583 -99.200 -91.000 TRP 47 1.040 12.817 33.769 38.195 -99.200 -91.000 TRP6 47 1.020 14.582 32.999 39.566 -99.200 -91.000 TYR 56 0.840 11.065 26.067 38.918 -99.200 -91.000 TYR 66 0.840 26.721 21.509 30.922 -99.200 -91.000 TYR 67 0.840 22.934 24.339 31.810 -99.200 -91.000 PHE 69 1.000 18.561 13.554 32.162 -99.200 -91.000 TYR 72 0.840 20.667 27.477 40.522 -99.200 -91.000 PHE 82 1.000 17.253 22.256 28.225 -99.200 -91.000 TYR 84 0.840 21.698 24.631 19.324 -99.200 -91.000 TYR 98 0.840 13.861 22.844 24.353 -99.200 -91.000 HIS 100 0.900 13.928 16.399 32.739 -99.200 -91.000 PHE 106 1.000 8.859 24.559 31.445 -99.200 -91.000 PHE 116 1.000 -3.700 25.049 35.711 -99.200 -91.000 PHE 117 1.000 -5.493 27.571 27.186 -99.200 -91.000 HIS 119 0.900 -4.078 28.505 36.453 -99.200 -91.000 TYR 123 0.840 3.521 37.786 35.420 -99.200 -91.000 TYR 124 0.840 11.615 35.007 28.467 -99.200 -91.000 PHE 128 1.000 21.062 41.517 28.097 -99.200 -91.000 TYR 131 0.840 10.689 40.549 26.818 -99.200 -91.000 PHE 136 1.000 0.264 31.715 20.243 -99.200 -91.000 TYR 139 0.840 1.253 21.991 19.786 -99.200 -91.000 PHE 145 1.000 12.437 10.570 17.906 -99.200 -91.000 TYR 146 0.840 5.972 19.609 17.444 -99.200 -91.000 TYR 147 0.840 13.400 21.821 13.614 -99.200 -91.000 PHE 152 1.000 10.249 30.765 12.305 -99.200 -91.000 TYR 158 0.840 7.246 34.422 13.317 -99.200 -91.000 PHE 161 1.000 6.634 28.324 14.443 -99.200 -91.000 TYR 171 0.840 -7.584 24.282 25.931 -99.200 -91.000 TYR 190 0.840 16.646 9.684 27.970 -99.200 -91.000 HIS 197 0.900 3.972 26.860 20.266 -99.200 -91.000