============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TYR 2 0.840 50.169 30.780 2.533 -99.200 -91.000 PHE 3 1.000 52.414 26.689 0.963 -99.200 -91.000 PHE 7 1.000 37.966 16.639 4.770 -99.200 -91.000 TYR 11 0.840 38.842 14.140 9.222 -99.200 -91.000 PHE 22 1.000 20.174 20.404 2.179 -99.200 -91.000 TYR 37 0.840 36.247 9.479 11.901 -99.200 -91.000 HIS 67 0.900 18.218 8.256 20.902 -99.200 -91.000 PHE 74 1.000 32.651 11.250 15.499 -99.200 -91.000 PHE 83 1.000 30.008 25.931 5.560 -99.200 -91.000 TYR 84 0.840 35.849 19.808 3.079 -99.200 -91.000 TYR 90 0.840 25.990 5.612 11.566 -99.200 -91.000 PHE 96 1.000 13.958 0.716 -0.841 -99.200 -91.000 PHE 105 1.000 11.539 -6.060 8.684 -99.200 -91.000 HIS 108 0.900 11.545 -10.261 18.709 -99.200 -91.000 PHE 118 1.000 7.292 4.270 17.322 -99.200 -91.000 TYR 123 0.840 18.581 13.245 21.971 -99.200 -91.000 HIS 125 0.900 9.257 14.935 16.958 -99.200 -91.000 HIS 127 0.900 17.697 17.208 22.630 -99.200 -91.000 HIS 131 0.900 14.340 12.947 8.873 -99.200 -91.000 PHE 155 1.000 18.536 14.616 12.128 -99.200 -91.000 PHE 161 1.000 24.629 24.261 4.253 -99.200 -91.000 TYR 171 0.840 5.074 4.414 -2.237 -99.200 -91.000 TYR 172 0.840 8.016 5.977 3.113 -99.200 -91.000 TYR 182 0.840 7.546 19.783 4.965 -99.200 -91.000 TRP 189 1.040 1.079 10.226 7.524 -99.200 -91.000 TRP6 189 1.020 -1.283 10.202 7.672 -99.200 -91.000 TYR 196 0.840 -0.617 -0.321 6.156 -99.200 -91.000 PHE 205 1.000 -2.176 6.789 3.699 -99.200 -91.000 TYR 206 0.840 1.047 -0.104 -4.435 -99.200 -91.000 TYR 211 0.840 -3.099 12.744 -10.774 -99.200 -91.000 TYR 222 0.840 -5.023 3.918 8.012 -99.200 -91.000 PHE 224 1.000 -4.789 -1.275 10.214 -99.200 -91.000 TRP 229 1.040 -2.702 -4.972 7.228 -99.200 -91.000 TRP6 229 1.020 -1.309 -4.092 8.917 -99.200 -91.000 PHE 246 1.000 -7.119 14.554 7.157 -99.200 -91.000 HIS 247 0.900 -9.146 16.237 11.733 -99.200 -91.000 HIS 260 0.900 0.347 1.059 21.420 -99.200 -91.000 TRP 262 1.040 2.824 -4.359 18.715 -99.200 -91.000 TRP6 262 1.020 4.440 -3.393 17.287 -99.200 -91.000 TYR 266 0.840 6.191 -8.056 20.381 -99.200 -91.000 PHE 289 1.000 33.789 10.041 34.626 -99.200 -91.000 TYR 302 0.840 37.624 16.847 22.651 -99.200 -91.000 PHE 320 1.000 22.925 4.294 27.108 -99.200 -91.000 TYR 340 0.840 25.445 -0.577 42.891 -99.200 -91.000 HIS 341 0.900 18.467 -2.126 44.909 -99.200 -91.000 PHE 343 1.000 27.220 -6.016 39.371 -99.200 -91.000 TYR 383 0.840 26.764 5.058 23.196 -99.200 -91.000 PHE 386 1.000 27.018 2.797 30.417 -99.200 -91.000 PHE 406 1.000 50.285 18.387 21.767 -99.200 -91.000 PHE 409 1.000 42.502 19.188 23.832 -99.200 -91.000 PHE 435 1.000 51.798 13.084 21.919 -99.200 -91.000 PHE 438 1.000 47.242 15.819 25.569 -99.200 -91.000 PHE 445 1.000 43.584 14.455 33.486 -99.200 -91.000