============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 1 1.000 -29.189 13.917 -63.732 -99.200 -91.000 HIS 4 0.900 -35.671 20.860 -64.653 -99.200 -91.000 PHE 7 1.000 -29.164 35.032 -65.675 -99.200 -91.000 TYR 27 0.840 -36.050 24.122 -48.958 -99.200 -91.000 HIS 51 0.900 -8.121 35.249 -51.275 -99.200 -91.000 HIS 56 0.900 -12.700 34.372 -54.353 -99.200 -91.000 PHE 58 1.000 -22.820 31.929 -56.252 -99.200 -91.000 PHE 76 1.000 -17.225 29.458 -66.506 -99.200 -91.000 TYR 77 0.840 -15.795 35.555 -70.724 -99.200 -91.000 TYR 79 0.840 -14.060 41.323 -67.521 -99.200 -91.000 HIS 80 0.900 -8.029 43.383 -61.363 -99.200 -91.000 HIS 108 0.900 -28.299 24.648 -70.981 -99.200 -91.000 PHE 110 1.000 -20.347 23.375 -64.024 -99.200 -91.000 TYR 114 0.840 -23.169 19.789 -59.772 -99.200 -91.000 PHE 138 1.000 -25.193 34.304 -70.032 -99.200 -91.000 HIS 151 0.900 -35.253 47.999 -53.602 -99.200 -91.000 PHE 165 1.000 -44.158 47.234 -70.190 -99.200 -91.000 HIS 170 0.900 -38.051 40.393 -73.718 -99.200 -91.000 TYR 174 0.840 -41.920 37.159 -65.152 -99.200 -91.000 PHE 187 1.000 -42.361 43.980 -47.754 -99.200 -91.000 HIS 188 0.900 -47.108 43.178 -42.239 -99.200 -91.000 TYR 194 0.840 -49.473 48.477 -56.392 -99.200 -91.000 PHE 198 1.000 -48.051 43.099 -59.813 -99.200 -91.000 PHE 209 1.000 -34.656 33.692 -51.557 -99.200 -91.000 PHE 219 1.000 -39.969 29.725 -61.478 -99.200 -91.000