============================================================================= 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 27 1.000 12.302 30.951 17.351 -99.200 -91.000 PHE 29 1.000 12.412 30.331 11.264 -99.200 -91.000 TRP 33 1.040 12.929 19.791 13.859 -99.200 -91.000 TRP6 33 1.020 12.257 17.526 13.845 -99.200 -91.000 TRP 36 1.040 1.463 27.151 10.599 -99.200 -91.000 TRP6 36 1.020 0.589 29.293 11.123 -99.200 -91.000 TRP 47 1.040 1.395 18.992 14.624 -99.200 -91.000 TRP6 47 1.020 1.202 17.212 13.078 -99.200 -91.000 HIS 58 0.900 14.065 24.048 4.969 -99.200 -91.000 TYR 61 0.840 7.557 14.815 8.967 -99.200 -91.000 TYR 62 0.840 1.552 19.040 5.339 -99.200 -91.000 PHE 70 1.000 -5.175 23.344 6.058 -99.200 -91.000 TYR 82 0.840 5.870 32.426 4.875 -99.200 -91.000 TYR 96 0.840 -6.106 27.197 11.293 -99.200 -91.000 TYR 97 0.840 -3.647 29.629 19.222 -99.200 -91.000 TYR 102 0.840 10.225 28.227 19.242 -99.200 -91.000 TYR 103 0.840 14.812 29.818 26.389 -99.200 -91.000 HIS 104 0.900 17.702 27.530 27.840 -99.200 -91.000 TYR 105 0.840 11.450 25.813 28.778 -99.200 -91.000 TRP 107 1.040 7.230 21.859 26.320 -99.200 -91.000 TRP6 107 1.020 9.048 21.154 27.650 -99.200 -91.000 PHE 108 1.000 4.032 22.042 19.200 -99.200 -91.000 TYR 110 0.840 8.904 30.459 25.160 -99.200 -91.000 TRP 111 1.040 1.549 27.483 22.264 -99.200 -91.000 TRP6 111 1.020 -0.406 26.298 21.688 -99.200 -91.000