============================================================================= 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. TYR 33 0.840 3.649 -1.378 11.763 -99.200 -91.000 TYR 42 0.840 7.783 3.467 22.029 -99.200 -91.000 PHE 53 1.000 10.035 0.797 26.883 -99.200 -91.000 TRP 55 1.040 19.136 0.383 20.738 -99.200 -91.000 TRP6 55 1.020 20.364 -0.635 18.992 -99.200 -91.000 HIS 60 0.900 10.372 -10.189 17.586 -99.200 -91.000 HIS 97 0.900 17.657 13.384 9.503 -99.200 -91.000 TYR 110 0.840 13.989 28.681 1.523 -99.200 -91.000 HIS 111 0.900 8.376 31.591 10.075 -99.200 -91.000 TYR 126 0.840 10.591 16.619 12.356 -99.200 -91.000 PHE 147 1.000 -3.045 18.170 17.092 -99.200 -91.000 PHE 156 1.000 -11.142 9.776 11.397 -99.200 -91.000 TYR 162 0.840 -12.869 23.627 13.257 -99.200 -91.000 HIS 186 0.900 -0.964 7.744 16.361 -99.200 -91.000 TYR 187 0.840 0.552 14.979 14.952 -99.200 -91.000 TYR 220 0.840 18.230 3.877 -8.931 -99.200 -91.000 HIS 221 0.900 23.273 5.713 -4.761 -99.200 -91.000 HIS 234 0.900 3.280 -6.318 2.185 -99.200 -91.000 PHE 236 1.000 0.607 -5.252 8.314 -99.200 -91.000 PHE 245 1.000 -1.428 -3.755 14.388 -99.200 -91.000 TRP 252 1.040 -6.316 4.102 10.733 -99.200 -91.000 TRP6 252 1.020 -4.438 4.613 12.076 -99.200 -91.000 PHE 253 1.000 -2.975 -1.316 4.902 -99.200 -91.000 HIS 262 0.900 6.606 -9.178 18.387 -99.200 -91.000 HIS 264 0.900 9.403 -6.067 21.489 -99.200 -91.000