============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 16 0.840 -7.803 57.191 50.984 -99.200 -91.000 TYR 19 0.840 -10.231 62.760 65.289 -99.200 -91.000 TYR 27 0.840 -4.472 70.803 72.376 -99.200 -91.000 PHE 32 1.000 -7.428 66.252 61.770 -99.200 -91.000 TYR 35 0.840 -2.338 58.350 49.552 -99.200 -91.000 PHE 49 1.000 -0.091 74.080 49.876 -99.200 -91.000 TYR 51 0.840 -0.603 71.454 55.546 -99.200 -91.000 TYR 61 0.840 -15.940 61.072 51.031 -99.200 -91.000 TRP 70 1.040 -23.232 70.313 43.616 -99.200 -91.000 TRP6 70 1.020 -22.459 68.100 43.339 -99.200 -91.000 HIS 80 0.900 -14.295 81.101 45.875 -99.200 -91.000 TYR 93 0.840 -20.267 65.650 32.167 -99.200 -91.000 PHE 101 1.000 -13.051 66.639 41.034 -99.200 -91.000 PHE 105 1.000 -5.304 61.638 45.522 -99.200 -91.000 TYR 114 0.840 -22.562 39.168 51.912 -99.200 -91.000 TYR 134 0.840 -28.610 45.315 47.527 -99.200 -91.000 PHE 145 1.000 -22.273 53.223 38.924 -99.200 -91.000 PHE 146 1.000 -24.983 50.895 42.892 -99.200 -91.000 TYR 154 0.840 -24.653 48.205 37.895 -99.200 -91.000 TRP 158 1.040 -31.686 54.908 43.601 -99.200 -91.000 TRP6 158 1.020 -30.403 55.687 45.419 -99.200 -91.000 PHE 160 1.000 -33.104 45.249 48.996 -99.200 -91.000 TYR 185 0.840 -25.266 47.209 54.741 -99.200 -91.000 TYR 196 0.840 -7.340 50.579 56.051 -99.200 -91.000 TYR 216 0.840 -10.285 57.897 45.747 -99.200 -91.000 TYR 226 0.840 -2.882 77.721 45.565 -99.200 -91.000 HIS 244 0.900 5.336 51.213 45.335 -99.200 -91.000 TRP 250 1.040 -0.467 56.405 55.107 -99.200 -91.000 TRP6 250 1.020 -0.772 56.588 57.438 -99.200 -91.000 TRP 251 1.040 -4.645 50.712 50.858 -99.200 -91.000 TRP6 251 1.020 -4.542 53.067 50.797 -99.200 -91.000