============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 24 0.900 -23.111 33.652 39.137 -99.200 -91.000 PHE 26 1.000 -21.078 31.919 29.060 -99.200 -91.000 PHE 37 1.000 -8.402 27.337 0.474 -99.200 -91.000 PHE 55 1.000 -19.127 36.361 30.764 -99.200 -91.000 TYR 57 0.840 -19.827 38.420 23.468 -99.200 -91.000 PHE 64 1.000 -18.406 32.936 21.040 -99.200 -91.000 PHE 68 1.000 -13.195 29.896 8.667 -99.200 -91.000 TYR 71 0.840 -1.149 27.372 8.390 -99.200 -91.000 TYR 78 0.840 -2.560 18.838 13.386 -99.200 -91.000 PHE 79 1.000 -4.411 24.567 12.991 -99.200 -91.000 PHE 83 1.000 -11.960 20.413 9.212 -99.200 -91.000 TYR 87 0.840 -9.013 21.977 14.239 -99.200 -91.000 TRP 89 1.040 -9.715 25.164 19.420 -99.200 -91.000 TRP6 89 1.020 -10.336 26.410 21.355 -99.200 -91.000 TYR 95 0.840 -8.042 36.499 30.934 -99.200 -91.000 TYR 114 0.840 -14.783 24.507 8.173 -99.200 -91.000 TYR 116 0.840 -16.416 26.794 14.807 -99.200 -91.000 PHE 120 1.000 -14.870 31.266 28.348 -99.200 -91.000 PHE 125 1.000 -11.972 35.853 34.719 -99.200 -91.000 TRP 139 1.040 -8.945 39.420 23.126 -99.200 -91.000 TRP6 139 1.020 -7.652 38.743 24.997 -99.200 -91.000 TYR 147 0.840 5.308 24.800 21.526 -99.200 -91.000 HIS 168 0.900 -2.368 47.841 26.483 -99.200 -91.000 TYR 169 0.840 -7.194 41.282 32.917 -99.200 -91.000 PHE 173 1.000 -5.462 33.626 24.777 -99.200 -91.000 TYR 177 0.840 -4.208 24.698 17.932 -99.200 -91.000 TYR 188 0.840 10.792 27.303 14.253 -99.200 -91.000 HIS 189 0.900 3.053 26.932 11.873 -99.200 -91.000 PHE 190 1.000 7.214 32.181 14.882 -99.200 -91.000 HIS 193 0.900 -3.651 35.978 17.223 -99.200 -91.000 HIS 194 0.900 -6.955 43.739 13.810 -99.200 -91.000 HIS 200 0.900 -20.900 46.624 21.738 -99.200 -91.000 TYR 204 0.840 -20.450 44.040 24.569 -99.200 -91.000 HIS 210 0.900 -13.255 40.316 9.711 -99.200 -91.000 HIS 212 0.900 -6.716 40.747 9.660 -99.200 -91.000 HIS 216 0.900 4.733 35.286 10.773 -99.200 -91.000