============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 12 1.000 57.986 0.163 -19.269 -99.200 -91.000 PHE 16 1.000 47.656 -1.426 -13.190 -99.200 -91.000 TYR 59 0.840 42.625 -20.633 -15.337 -99.200 -91.000 PHE 77 1.000 64.271 -17.580 -29.209 -99.200 -91.000 PHE 79 1.000 53.782 -16.845 -32.479 -99.200 -91.000 TYR 80 0.840 55.667 -17.057 -28.070 -99.200 -91.000 TYR 83 0.840 54.199 -9.521 -31.032 -99.200 -91.000 HIS 88 0.900 55.122 -4.750 -29.191 -99.200 -91.000 TYR 90 0.840 59.618 -3.406 -30.116 -99.200 -91.000 PHE 96 1.000 59.344 -5.872 -19.671 -99.200 -91.000 PHE 131 1.000 68.094 -20.382 -2.728 -99.200 -91.000 TYR 145 0.840 69.993 -11.311 -23.474 -99.200 -91.000 HIS 147 0.900 71.313 -6.603 -25.452 -99.200 -91.000 PHE 149 1.000 69.601 -11.803 -17.324 -99.200 -91.000 TYR 156 0.840 62.968 -18.070 -3.062 -99.200 -91.000 PHE 157 1.000 56.140 -19.935 0.349 -99.200 -91.000 PHE 159 1.000 62.553 -11.914 7.230 -99.200 -91.000 HIS 161 0.900 64.642 -21.256 1.640 -99.200 -91.000 PHE 162 1.000 61.459 -13.608 1.814 -99.200 -91.000 PHE 172 1.000 74.811 -14.279 -11.535 -99.200 -91.000 PHE 177 1.000 62.711 -7.428 -15.663 -99.200 -91.000 PHE 205 1.000 49.150 -32.889 -5.167 -99.200 -91.000 TYR 212 0.840 43.031 -19.939 -2.942 -99.200 -91.000 PHE 224 1.000 63.887 -11.975 -3.539 -99.200 -91.000 TYR 225 0.840 61.789 -0.972 -2.420 -99.200 -91.000 PHE 234 1.000 59.504 -5.121 -14.164 -99.200 -91.000 TYR 240 0.840 41.505 -11.305 -8.328 -99.200 -91.000 PHE 246 1.000 48.276 2.903 -2.085 -99.200 -91.000 HIS 248 0.900 51.340 -6.737 -6.519 -99.200 -91.000 PHE 270 1.000 46.211 -5.253 -18.449 -99.200 -91.000 TYR 286 0.840 50.508 8.763 -1.646 -99.200 -91.000 PHE 292 1.000 51.780 5.052 -4.309 -99.200 -91.000