============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 36 0.840 -14.557 70.470 1.237 -99.200 -91.000 TRP 39 1.040 -2.683 69.627 7.616 -99.200 -91.000 TRP6 39 1.020 -0.538 69.108 6.796 -99.200 -91.000 TYR 40 0.840 -7.512 62.295 7.543 -99.200 -91.000 TYR 53 0.840 -13.261 70.046 10.192 -99.200 -91.000 PHE 59 1.000 -13.318 65.061 14.240 -99.200 -91.000 PHE 66 1.000 -1.208 68.500 17.162 -99.200 -91.000 PHE 75 1.000 -3.660 73.853 0.896 -99.200 -91.000 TYR 90 0.840 1.955 64.873 12.860 -99.200 -91.000 TYR 91 0.840 0.088 59.017 6.240 -99.200 -91.000 PHE 93 1.000 -8.376 62.759 1.795 -99.200 -91.000 HIS 97 0.900 -9.933 69.317 -7.876 -99.200 -91.000 PHE 102 1.000 -5.247 59.621 2.623 -99.200 -91.000 PHE 122 1.000 22.052 37.006 22.636 -99.200 -91.000 PHE 139 1.000 18.905 40.694 20.027 -99.200 -91.000 PHE 143 1.000 20.896 52.518 18.002 -99.200 -91.000 TYR 144 0.840 17.854 60.769 18.922 -99.200 -91.000 TRP 152 1.040 27.117 40.701 11.048 -99.200 -91.000 TRP6 152 1.020 27.043 39.495 13.050 -99.200 -91.000 TRP 167 1.040 17.787 50.043 11.729 -99.200 -91.000 TRP6 167 1.020 17.706 49.056 9.595 -99.200 -91.000 TYR 177 0.840 14.989 55.536 16.315 -99.200 -91.000 TYR 190 0.840 29.127 28.354 14.281 -99.200 -91.000 HIS 193 0.900 35.969 30.715 8.386 -99.200 -91.000 TYR 196 0.840 31.521 32.960 13.469 -99.200 -91.000 HIS 202 0.900 24.814 55.964 18.226 -99.200 -91.000 PHE 213 1.000 30.142 33.387 18.535 -99.200 -91.000