============================================================================= 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. PHE 2 1.000 16.334 32.363 35.111 -99.200 -91.000 TYR 6 0.840 8.652 41.160 27.154 -99.200 -91.000 HIS 15 0.900 -5.463 20.065 3.952 -99.200 -91.000 PHE 18 1.000 -9.217 23.122 6.904 -99.200 -91.000 TYR 21 0.840 -8.394 18.969 16.161 -99.200 -91.000 HIS 33 0.900 -6.785 32.123 24.111 -99.200 -91.000 PHE 42 1.000 3.443 23.839 31.361 -99.200 -91.000 TYR 43 0.840 9.094 28.416 28.363 -99.200 -91.000 HIS 49 0.900 6.317 37.946 30.199 -99.200 -91.000 TRP 58 1.040 0.485 25.731 6.120 -99.200 -91.000 TRP6 58 1.020 2.374 24.315 6.344 -99.200 -91.000 PHE 77 1.000 7.572 25.092 10.759 -99.200 -91.000 TRP 80 1.040 6.828 27.375 4.359 -99.200 -91.000 TRP6 80 1.020 5.783 28.070 6.354 -99.200 -91.000 HIS 91 0.900 7.804 34.042 12.606 -99.200 -91.000 HIS 93 0.900 10.660 28.692 18.566 -99.200 -91.000 PHE 102 1.000 6.634 14.650 13.522 -99.200 -91.000 TYR 111 0.840 16.946 23.091 13.364 -99.200 -91.000 HIS 120 0.900 19.753 26.190 12.252 -99.200 -91.000 HIS 128 0.900 1.462 14.421 22.665 -99.200 -91.000 TRP 134 1.040 -0.857 15.422 29.583 -99.200 -91.000 TRP6 134 1.020 -2.741 14.070 29.740 -99.200 -91.000 HIS 141 0.900 11.135 18.171 25.742 -99.200 -91.000 HIS 145 0.900 15.372 19.800 23.399 -99.200 -91.000 HIS 150 0.900 21.915 21.264 26.596 -99.200 -91.000 HIS 151 0.900 15.881 15.307 25.766 -99.200 -91.000 TYR 175 0.840 3.362 18.128 32.735 -99.200 -91.000 PHE 177 1.000 10.783 24.930 31.276 -99.200 -91.000 TYR 185 0.840 15.953 31.161 29.842 -99.200 -91.000 TYR 188 0.840 20.173 30.288 24.161 -99.200 -91.000 HIS 192 0.900 24.498 30.592 22.945 -99.200 -91.000