============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 2 1.000 14.451 20.410 4.389 -99.200 -91.000 PHE 7 1.000 14.717 16.011 0.496 -99.200 -91.000 PHE 18 1.000 -5.196 7.076 -0.218 -99.200 -91.000 TYR 22 0.840 9.647 7.282 -4.902 -99.200 -91.000 PHE 31 1.000 20.012 11.954 8.276 -99.200 -91.000 PHE 39 1.000 1.151 11.361 -7.167 -99.200 -91.000 HIS 50 0.900 -10.272 17.819 8.227 -99.200 -91.000 HIS 61 0.900 3.533 17.990 17.018 -99.200 -91.000 HIS 64 0.900 10.963 5.392 22.466 -99.200 -91.000 TYR 71 0.840 14.751 12.306 9.947 -99.200 -91.000 TYR 73 0.840 4.800 18.579 8.225 -99.200 -91.000 PHE 74 1.000 9.595 18.316 0.549 -99.200 -91.000 HIS 75 0.900 2.147 22.644 0.283 -99.200 -91.000 TYR 81 0.840 7.300 15.905 -2.638 -99.200 -91.000 PHE 86 1.000 16.862 3.010 4.441 -99.200 -91.000 TYR 93 0.840 5.218 -8.026 5.690 -99.200 -91.000 HIS 99 0.900 14.733 -15.497 10.640 -99.200 -91.000 PHE 102 1.000 10.786 -12.361 14.511 -99.200 -91.000 PHE 110 1.000 11.996 -7.605 16.956 -99.200 -91.000 HIS 119 0.900 6.059 4.878 30.350 -99.200 -91.000 TYR 120 0.840 8.086 9.751 23.370 -99.200 -91.000 HIS 122 0.900 -0.337 3.610 26.162 -99.200 -91.000 HIS 128 0.900 0.209 1.961 16.679 -99.200 -91.000 TYR 140 0.840 24.143 -0.410 11.188 -99.200 -91.000 PHE 149 1.000 2.803 6.462 15.581 -99.200 -91.000 TRP 151 1.040 -6.972 1.571 12.172 -99.200 -91.000 TRP6 151 1.020 -9.069 2.577 11.734 -99.200 -91.000 HIS 154 0.900 -3.658 14.677 22.494 -99.200 -91.000 TYR 168 0.840 -1.866 -8.549 16.229 -99.200 -91.000 HIS 179 0.900 -11.127 2.217 21.953 -99.200 -91.000 TRP 186 1.040 -6.188 -8.042 23.097 -99.200 -91.000 TRP6 186 1.020 -7.146 -9.717 24.473 -99.200 -91.000 TYR 193 0.840 -0.117 -17.462 20.839 -99.200 -91.000 PHE 195 1.000 7.197 -9.669 17.725 -99.200 -91.000 PHE 202 1.000 -7.088 -14.704 21.475 -99.200 -91.000 HIS 207 0.900 -13.434 -11.725 9.187 -99.200 -91.000 HIS 211 0.900 -15.152 -10.284 15.729 -99.200 -91.000 PHE 221 1.000 -0.050 -19.216 26.717 -99.200 -91.000 PHE 224 1.000 6.388 -23.576 19.867 -99.200 -91.000 TYR 239 0.840 -14.027 -9.840 29.264 -99.200 -91.000 HIS 240 0.900 -12.767 -8.277 33.908 -99.200 -91.000 HIS 253 0.900 7.367 -11.375 32.712 -99.200 -91.000 TRP 255 1.040 10.591 -14.723 28.242 -99.200 -91.000 TRP6 255 1.020 9.798 -13.372 26.471 -99.200 -91.000 TYR 268 0.840 24.625 16.923 17.736 -99.200 -91.000