============================================================================= 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. PHE 33 1.000 40.723 18.101 19.234 -99.200 -91.000 HIS 41 0.900 50.175 18.091 15.204 -99.200 -91.000 HIS 49 0.900 54.286 25.703 4.294 -99.200 -91.000 TYR 55 0.840 50.106 40.487 -0.341 -99.200 -91.000 TYR 66 0.840 38.550 16.811 23.064 -99.200 -91.000 PHE 81 1.000 31.441 7.780 14.802 -99.200 -91.000 HIS 101 0.900 37.531 17.595 26.724 -99.200 -91.000 PHE 110 1.000 29.026 33.134 18.010 -99.200 -91.000 HIS 126 0.900 21.989 26.240 25.051 -99.200 -91.000 HIS 128 0.900 25.238 17.256 27.146 -99.200 -91.000 TYR 150 0.840 25.790 30.589 -8.492 -99.200 -91.000 TYR 151 0.840 21.195 26.069 -7.451 -99.200 -91.000 HIS 166 0.900 14.883 36.006 4.892 -99.200 -91.000 HIS 171 0.900 21.739 22.371 6.640 -99.200 -91.000 TYR 181 0.840 9.136 36.535 4.695 -99.200 -91.000 PHE 191 1.000 13.284 41.048 -10.883 -99.200 -91.000 PHE 206 1.000 10.952 28.111 -4.463 -99.200 -91.000 HIS 220 0.900 30.221 9.051 -8.610 -99.200 -91.000 TYR 224 0.840 35.460 19.523 0.242 -99.200 -91.000 TYR 238 0.840 31.753 36.338 18.470 -99.200 -91.000 TYR 256 0.840 9.675 31.767 13.329 -99.200 -91.000 HIS 258 0.900 7.487 25.060 17.186 -99.200 -91.000 PHE 262 1.000 19.872 25.921 20.179 -99.200 -91.000 PHE 290 1.000 9.989 27.717 12.323 -99.200 -91.000 HIS 305 0.900 18.612 13.498 24.695 -99.200 -91.000