============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 33 0.840 -8.521 19.970 20.004 -99.200 -91.000 PHE 39 1.000 -9.791 29.583 18.745 -99.200 -91.000 HIS 62 0.900 17.552 59.479 10.746 -99.200 -91.000 TYR 78 0.840 -3.341 46.973 31.635 -99.200 -91.000 HIS 85 0.900 7.052 57.453 29.827 -99.200 -91.000 TYR 102 0.840 5.898 46.553 31.576 -99.200 -91.000 HIS 114 0.900 4.709 55.188 12.345 -99.200 -91.000 PHE 124 1.000 4.483 43.429 8.943 -99.200 -91.000 PHE 133 1.000 -3.212 40.418 12.112 -99.200 -91.000 TRP 183 1.040 10.875 45.386 22.148 -99.200 -91.000 TRP6 183 1.020 10.232 46.299 20.063 -99.200 -91.000 TRP 202 1.040 12.654 23.711 28.344 -99.200 -91.000 TRP6 202 1.020 10.932 22.693 27.083 -99.200 -91.000 TYR 213 0.840 -18.990 36.698 24.036 -99.200 -91.000 TRP 223 1.040 14.994 30.142 21.376 -99.200 -91.000 TRP6 223 1.020 13.497 31.957 21.617 -99.200 -91.000 HIS 227 0.900 15.476 17.989 22.322 -99.200 -91.000 TYR 235 0.840 -4.945 32.683 19.257 -99.200 -91.000 PHE 236 1.000 -10.859 27.885 27.077 -99.200 -91.000 HIS 259 0.900 5.286 13.862 28.261 -99.200 -91.000 PHE 261 1.000 8.796 18.776 21.241 -99.200 -91.000