============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 4 0.840 47.585 -11.302 42.399 -99.200 -91.000 PHE 7 1.000 45.788 -20.733 32.963 -99.200 -91.000 HIS 14 0.900 48.112 -37.859 18.637 -99.200 -91.000 HIS 38 0.900 47.280 -37.325 43.933 -99.200 -91.000 TYR 47 0.840 39.966 -38.744 29.265 -99.200 -91.000 PHE 59 1.000 68.224 -24.308 47.175 -99.200 -91.000 PHE 70 1.000 57.797 -30.348 27.052 -99.200 -91.000 TRP 76 1.040 57.552 -35.906 19.007 -99.200 -91.000 TRP6 76 1.020 59.809 -35.447 19.543 -99.200 -91.000 TYR 85 0.840 42.595 -20.568 14.251 -99.200 -91.000 PHE 115 1.000 47.522 -18.829 46.863 -99.200 -91.000 PHE 119 1.000 46.129 -18.624 51.609 -99.200 -91.000 PHE 126 1.000 29.962 -35.126 44.939 -99.200 -91.000 TYR 143 0.840 24.582 -33.689 47.991 -99.200 -91.000 PHE 144 1.000 24.160 -28.910 45.990 -99.200 -91.000 TYR 153 0.840 27.894 -37.607 49.500 -99.200 -91.000 HIS 154 0.900 37.689 -35.316 46.255 -99.200 -91.000 PHE 166 1.000 26.211 -43.024 47.589 -99.200 -91.000 PHE 173 1.000 26.001 -45.517 38.222 -99.200 -91.000 TYR 176 0.840 23.032 -46.872 31.550 -99.200 -91.000 PHE 191 1.000 32.260 -32.286 36.162 -99.200 -91.000 PHE 194 1.000 33.738 -31.003 47.567 -99.200 -91.000 HIS 205 0.900 28.522 -5.058 45.201 -99.200 -91.000 TRP 208 1.040 30.306 -7.026 32.602 -99.200 -91.000 TRP6 208 1.020 30.890 -8.941 31.345 -99.200 -91.000 PHE 233 1.000 19.088 -24.349 33.596 -99.200 -91.000 PHE 239 1.000 5.773 -22.031 45.031 -99.200 -91.000 HIS 244 0.900 15.252 -16.417 48.518 -99.200 -91.000 TRP 249 1.040 26.662 -13.163 64.418 -99.200 -91.000 TRP6 249 1.020 26.975 -13.288 66.758 -99.200 -91.000 TYR 255 0.840 26.307 -11.659 60.514 -99.200 -91.000 PHE 256 1.000 24.977 -20.262 61.521 -99.200 -91.000 HIS 258 0.900 19.690 -20.948 59.861 -99.200 -91.000 PHE 313 1.000 56.492 -11.182 51.628 -99.200 -91.000 PHE 320 1.000 42.338 -17.144 54.825 -99.200 -91.000 TYR 323 0.840 38.026 -10.867 54.109 -99.200 -91.000 HIS 326 0.900 36.078 -6.744 58.118 -99.200 -91.000 PHE 330 1.000 30.287 -6.194 58.385 -99.200 -91.000