============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 37 0.840 50.201 -23.359 26.207 -99.200 -91.000 TRP 40 1.040 42.181 -12.285 27.803 -99.200 -91.000 TRP6 40 1.020 40.553 -11.915 29.473 -99.200 -91.000 TYR 41 0.840 38.623 -16.897 21.881 -99.200 -91.000 PHE 54 1.000 48.478 -16.006 19.757 -99.200 -91.000 TRP 55 1.040 51.035 -18.940 23.037 -99.200 -91.000 TRP6 55 1.020 52.524 -18.432 21.282 -99.200 -91.000 PHE 67 1.000 40.420 -4.313 22.287 -99.200 -91.000 PHE 76 1.000 46.250 -16.493 33.082 -99.200 -91.000 TYR 91 0.840 35.553 -7.236 25.599 -99.200 -91.000 TYR 92 0.840 31.925 -15.280 26.273 -99.200 -91.000 TYR 97 0.840 48.556 -26.717 31.334 -99.200 -91.000 PHE 102 1.000 35.205 -20.417 24.788 -99.200 -91.000 PHE 122 1.000 6.877 2.641 10.981 -99.200 -91.000 PHE 139 1.000 10.027 0.068 13.989 -99.200 -91.000 PHE 143 1.000 15.227 4.131 24.008 -99.200 -91.000 TYR 144 0.840 22.692 5.606 27.846 -99.200 -91.000 TRP 154 1.040 13.986 -1.439 25.657 -99.200 -91.000 TRP6 154 1.020 11.937 -2.210 26.524 -99.200 -91.000 TYR 164 0.840 20.336 0.510 25.845 -99.200 -91.000 HIS 178 0.900 -12.043 0.398 19.882 -99.200 -91.000 HIS 185 0.900 14.900 8.309 27.667 -99.200 -91.000