============================================================================= 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. TYR 7 0.840 20.246 26.363 27.113 -99.200 -91.000 PHE 18 1.000 16.058 43.870 21.608 -99.200 -91.000 TYR 22 0.840 11.337 46.101 14.797 -99.200 -91.000 PHE 24 1.000 14.352 46.611 10.186 -99.200 -91.000 PHE 41 1.000 -3.126 27.288 2.904 -99.200 -91.000 TYR 62 0.840 -5.418 15.059 9.384 -99.200 -91.000 TRP 64 1.040 -4.692 11.218 12.327 -99.200 -91.000 TRP6 64 1.020 -5.585 9.032 12.550 -99.200 -91.000 TYR 67 0.840 -5.942 7.525 18.312 -99.200 -91.000 PHE 71 1.000 0.408 11.683 10.931 -99.200 -91.000 TRP 75 1.040 8.344 21.659 -2.865 -99.200 -91.000 TRP6 75 1.020 7.802 23.637 -4.030 -99.200 -91.000 PHE 99 1.000 12.321 9.623 10.883 -99.200 -91.000 PHE 103 1.000 13.583 12.209 1.577 -99.200 -91.000 TYR 118 0.840 9.195 13.403 31.307 -99.200 -91.000 HIS 122 0.900 9.182 22.234 40.558 -99.200 -91.000 PHE 131 1.000 19.874 9.141 13.652 -99.200 -91.000 TYR 146 0.840 14.219 27.017 44.893 -99.200 -91.000 TRP 149 1.040 15.589 32.496 41.611 -99.200 -91.000 TRP6 149 1.020 17.205 34.022 40.787 -99.200 -91.000 TYR 153 0.840 26.084 21.777 29.931 -99.200 -91.000 PHE 157 1.000 30.586 13.116 21.367 -99.200 -91.000 PHE 169 1.000 27.611 25.637 32.332 -99.200 -91.000 TYR 173 0.840 12.461 35.661 39.650 -99.200 -91.000 PHE 178 1.000 12.412 40.999 36.070 -99.200 -91.000 HIS 181 0.900 18.645 33.893 28.470 -99.200 -91.000 PHE 190 1.000 31.182 35.625 29.355 -99.200 -91.000 TYR 195 0.840 8.618 40.447 28.093 -99.200 -91.000 TRP 210 1.040 30.418 40.443 28.379 -99.200 -91.000 TRP6 210 1.020 28.438 40.959 29.596 -99.200 -91.000 PHE 219 1.000 23.814 50.247 24.940 -99.200 -91.000 TYR 225 0.840 1.390 52.179 23.587 -99.200 -91.000 PHE 233 1.000 6.392 53.244 16.512 -99.200 -91.000 TYR 247 0.840 1.377 51.990 13.395 -99.200 -91.000 HIS 273 0.900 18.914 55.361 6.725 -99.200 -91.000 PHE 281 1.000 -6.480 36.537 3.393 -99.200 -91.000