============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 21 1.000 6.892 7.700 -19.852 -99.200 -91.000 TYR 27 0.840 16.280 16.852 -15.055 -99.200 -91.000 TYR 48 0.840 3.734 10.301 -18.377 -99.200 -91.000 PHE 83 1.000 3.097 5.303 -15.530 -99.200 -91.000 PHE 105 1.000 5.516 -5.198 8.795 -99.200 -91.000 TYR 113 0.840 3.124 -7.309 -6.018 -99.200 -91.000 TYR 121 0.840 9.616 -4.570 -15.274 -99.200 -91.000 TRP 139 1.040 14.520 -10.969 10.285 -99.200 -91.000 TRP6 139 1.020 16.854 -10.696 10.394 -99.200 -91.000 PHE 161 1.000 13.626 5.647 7.272 -99.200 -91.000 TYR 175 0.840 22.837 -4.280 -8.281 -99.200 -91.000 PHE 180 1.000 13.661 6.529 1.931 -99.200 -91.000 TRP 187 1.040 13.329 11.741 14.988 -99.200 -91.000 TRP6 187 1.020 11.378 10.557 15.597 -99.200 -91.000 PHE 196 1.000 17.561 20.905 5.724 -99.200 -91.000 TYR 212 0.840 31.201 5.545 0.432 -99.200 -91.000 TYR 215 0.840 26.529 -1.418 2.939 -99.200 -91.000 HIS 218 0.900 32.602 -3.868 8.609 -99.200 -91.000 PHE 220 1.000 29.258 -6.141 4.676 -99.200 -91.000 PHE 228 1.000 19.633 12.942 -1.447 -99.200 -91.000 HIS 259 0.900 35.998 21.775 -7.834 -99.200 -91.000 PHE 282 1.000 16.526 -5.706 11.334 -99.200 -91.000 TRP 284 1.040 18.738 -3.954 21.964 -99.200 -91.000 TRP6 284 1.020 17.200 -3.635 23.710 -99.200 -91.000 HIS 292 0.900 6.784 8.092 13.526 -99.200 -91.000 PHE 301 1.000 6.721 4.043 -0.292 -99.200 -91.000