============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 12 0.900 12.938 -37.735 42.197 -99.200 -91.000 TYR 14 0.840 11.386 -33.282 37.071 -99.200 -91.000 TRP 15 1.040 9.388 -31.672 41.255 -99.200 -91.000 TRP6 15 1.020 8.324 -30.033 39.951 -99.200 -91.000 PHE 35 1.000 11.529 -25.383 43.682 -99.200 -91.000 PHE 36 1.000 5.428 -25.840 49.115 -99.200 -91.000 PHE 53 1.000 4.906 -18.859 46.918 -99.200 -91.000 TYR 98 0.840 -1.437 -14.006 31.483 -99.200 -91.000 TYR 100 0.840 3.224 -27.354 29.413 -99.200 -91.000 TYR 106 0.840 -0.429 -38.622 22.224 -99.200 -91.000 TYR 110 0.840 2.650 -42.641 19.032 -99.200 -91.000 PHE 145 1.000 3.649 -47.797 27.177 -99.200 -91.000 HIS 180 0.900 0.343 -59.342 36.240 -99.200 -91.000 PHE 186 1.000 8.043 -53.551 36.496 -99.200 -91.000 PHE 187 1.000 5.703 -45.495 29.968 -99.200 -91.000 TYR 190 0.840 4.523 -38.250 37.682 -99.200 -91.000 TYR 192 0.840 9.229 -39.916 43.783 -99.200 -91.000 PHE 215 1.000 8.456 -39.724 30.136 -99.200 -91.000 TYR 224 0.840 19.091 -48.983 39.376 -99.200 -91.000 TYR 239 0.840 19.624 -24.812 34.532 -99.200 -91.000 TYR 243 0.840 18.106 -19.116 33.304 -99.200 -91.000 TYR 250 0.840 13.351 -9.345 34.877 -99.200 -91.000 TYR 275 0.840 0.426 -16.530 23.282 -99.200 -91.000 TYR 292 0.840 21.312 -36.758 28.350 -99.200 -91.000 PHE 305 1.000 27.658 -40.590 36.346 -99.200 -91.000