============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 6 0.840 -16.817 -10.268 4.554 -99.200 -91.000 PHE 7 1.000 -16.706 -2.134 6.721 -99.200 -91.000 PHE 26 1.000 19.403 6.647 -8.021 -99.200 -91.000 TYR 29 0.840 19.270 10.351 -3.080 -99.200 -91.000 PHE 32 1.000 22.971 16.557 -2.053 -99.200 -91.000 TYR 44 0.840 27.267 9.021 0.611 -99.200 -91.000 TRP 50 1.040 19.702 0.757 -6.155 -99.200 -91.000 TRP6 50 1.020 17.766 1.835 -7.007 -99.200 -91.000 PHE 53 1.000 15.710 7.195 -4.812 -99.200 -91.000 HIS 55 0.900 17.977 3.957 5.417 -99.200 -91.000 TRP 60 1.040 8.190 6.375 4.267 -99.200 -91.000 TRP6 60 1.020 6.951 7.642 5.851 -99.200 -91.000 HIS 61 0.900 6.938 -3.505 3.865 -99.200 -91.000 PHE 62 1.000 12.362 -3.146 5.612 -99.200 -91.000 PHE 63 1.000 12.995 0.521 10.692 -99.200 -91.000 HIS 65 0.900 11.134 5.822 11.086 -99.200 -91.000 HIS 85 0.900 15.450 2.640 14.747 -99.200 -91.000 PHE 89 1.000 20.594 6.098 9.825 -99.200 -91.000 TRP 96 1.040 18.520 19.326 7.211 -99.200 -91.000 TRP6 96 1.020 18.246 18.807 9.495 -99.200 -91.000 TYR 99 0.840 17.950 17.288 -5.056 -99.200 -91.000 HIS 102 0.900 15.970 24.665 -5.364 -99.200 -91.000 TYR 107 0.840 12.300 26.796 -0.085 -99.200 -91.000 TRP 118 1.040 3.094 12.258 10.006 -99.200 -91.000 TRP6 118 1.020 4.314 10.229 9.986 -99.200 -91.000 PHE 120 1.000 9.366 14.549 18.681 -99.200 -91.000 TYR 131 0.840 22.998 9.599 14.626 -99.200 -91.000 TYR 164 0.840 22.913 20.104 16.920 -99.200 -91.000 TYR 166 0.840 16.032 17.486 16.250 -99.200 -91.000 HIS 167 0.900 12.324 19.312 24.121 -99.200 -91.000