============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 8 1.000 -2.649 9.115 17.488 -99.200 -91.000 TYR 24 0.840 3.675 6.081 32.988 -99.200 -91.000 TRP 39 1.040 8.385 6.445 18.264 -99.200 -91.000 TRP6 39 1.020 7.077 8.289 18.962 -99.200 -91.000 PHE 44 1.000 12.802 -5.190 2.720 -99.200 -91.000 TRP 62 1.040 23.045 10.360 14.027 -99.200 -91.000 TRP6 62 1.020 24.865 8.858 14.073 -99.200 -91.000 HIS 68 0.900 19.319 -9.070 19.045 -99.200 -91.000 TYR 72 0.840 23.613 -13.990 18.810 -99.200 -91.000 TRP 74 1.040 21.291 -17.533 16.461 -99.200 -91.000 TRP6 74 1.020 19.560 -16.073 17.132 -99.200 -91.000 PHE 78 1.000 22.259 -9.173 8.187 -99.200 -91.000 HIS 90 0.900 -0.840 0.498 10.019 -99.200 -91.000 TYR 95 0.840 7.344 1.754 -2.179 -99.200 -91.000 TYR 109 0.840 29.225 5.241 13.733 -99.200 -91.000 HIS 111 0.900 28.797 0.072 24.462 -99.200 -91.000 TYR 114 0.840 26.381 -7.243 20.781 -99.200 -91.000 TRP 116 1.040 29.862 -10.965 19.983 -99.200 -91.000 TRP6 116 1.020 30.824 -13.102 19.671 -99.200 -91.000 PHE 135 1.000 12.072 14.712 11.477 -99.200 -91.000 TYR 138 0.840 1.125 9.274 7.329 -99.200 -91.000 HIS 140 0.900 7.864 14.464 15.265 -99.200 -91.000 TYR 157 0.840 5.826 4.433 37.529 -99.200 -91.000 TRP 164 1.040 5.673 -3.819 10.766 -99.200 -91.000 TRP6 164 1.020 7.176 -2.008 10.957 -99.200 -91.000 PHE 201 1.000 13.581 -1.618 30.562 -99.200 -91.000 TYR 205 0.840 0.307 -7.260 31.772 -99.200 -91.000 PHE 224 1.000 9.338 -0.746 27.991 -99.200 -91.000 PHE 230 1.000 6.992 13.741 35.845 -99.200 -91.000 TRP 234 1.040 4.210 9.128 23.081 -99.200 -91.000 TRP6 234 1.020 3.447 7.093 24.008 -99.200 -91.000 TYR 235 0.840 11.274 11.901 27.325 -99.200 -91.000 TRP 242 1.040 18.353 -10.722 26.893 -99.200 -91.000 TRP6 242 1.020 17.777 -12.274 28.583 -99.200 -91.000 TYR 252 0.840 8.497 -11.648 34.261 -99.200 -91.000 PHE 254 1.000 15.422 -10.350 31.197 -99.200 -91.000 TYR 255 0.840 11.548 -4.939 26.491 -99.200 -91.000 HIS 257 0.900 18.461 1.729 32.228 -99.200 -91.000 PHE 259 1.000 20.423 8.150 32.319 -99.200 -91.000 TRP 264 1.040 28.674 3.768 22.174 -99.200 -91.000 TRP6 264 1.020 26.886 3.094 20.785 -99.200 -91.000 PHE 272 1.000 32.904 7.959 14.785 -99.200 -91.000