============================================================================= 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. TYR 30 0.840 38.863 -50.866 61.344 -99.200 -91.000 TYR 36 0.840 34.405 -53.777 59.921 -99.200 -91.000 TRP 39 1.040 29.165 -66.660 61.690 -99.200 -91.000 TRP6 39 1.020 30.366 -68.613 62.274 -99.200 -91.000 TYR 53 0.840 25.449 -57.218 57.347 -99.200 -91.000 PHE 66 1.000 20.996 -70.305 58.993 -99.200 -91.000 PHE 75 1.000 33.833 -62.991 67.078 -99.200 -91.000 TYR 90 0.840 26.348 -73.627 57.787 -99.200 -91.000 TYR 91 0.840 34.265 -72.346 53.943 -99.200 -91.000 HIS 97 0.900 43.148 -57.540 63.486 -99.200 -91.000 PHE 98 1.000 46.185 -56.252 53.542 -99.200 -91.000 PHE 102 1.000 37.962 -66.278 53.245 -99.200 -91.000 PHE 122 1.000 24.469 -99.789 34.174 -99.200 -91.000 PHE 139 1.000 26.244 -95.618 37.522 -99.200 -91.000 PHE 143 1.000 25.673 -95.086 49.543 -99.200 -91.000 TYR 144 0.840 22.689 -90.959 56.694 -99.200 -91.000 TRP 152 1.040 34.680-103.223 41.223 -99.200 -91.000 TRP6 152 1.020 33.061-103.543 39.531 -99.200 -91.000 TRP 167 1.040 31.197 -92.406 48.641 -99.200 -91.000 TRP6 167 1.020 33.330 -93.382 48.333 -99.200 -91.000 TYR 177 0.840 26.267 -88.757 52.097 -99.200 -91.000 TYR 190 0.840 34.864-107.636 29.518 -99.200 -91.000 HIS 193 0.900 40.177-113.150 34.273 -99.200 -91.000 TYR 196 0.840 34.648-109.340 34.083 -99.200 -91.000 HIS 202 0.900 24.813 -98.731 53.710 -99.200 -91.000 PHE 213 1.000 29.341-108.177 33.298 -99.200 -91.000