============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TRP 3 1.040 41.843 76.862 3.374 -99.200 -91.000 TRP6 3 1.020 40.408 77.428 5.169 -99.200 -91.000 PHE 16 1.000 40.375 75.251 13.574 -99.200 -91.000 HIS 23 0.900 36.776 79.636 29.711 -99.200 -91.000 TRP 26 1.040 29.461 74.266 25.572 -99.200 -91.000 TRP6 26 1.020 27.692 72.699 25.673 -99.200 -91.000 PHE 28 1.000 33.908 69.097 18.643 -99.200 -91.000 TYR 32 0.840 36.088 55.740 22.843 -99.200 -91.000 PHE 53 1.000 29.683 62.217 4.680 -99.200 -91.000 TYR 59 0.840 27.293 61.772 0.549 -99.200 -91.000 PHE 62 1.000 20.645 59.986 0.724 -99.200 -91.000 TYR 82 0.840 26.513 81.370 10.601 -99.200 -91.000 PHE 83 1.000 23.962 75.559 4.532 -99.200 -91.000 HIS 99 0.900 27.629 74.879 8.759 -99.200 -91.000 HIS 109 0.900 32.218 84.041 28.841 -99.200 -91.000 PHE 110 1.000 31.859 83.026 20.508 -99.200 -91.000 PHE 119 1.000 33.325 83.662 9.323 -99.200 -91.000 TYR 134 0.840 33.584 88.216 6.453 -99.200 -91.000 TYR 138 0.840 37.574 86.343 9.698 -99.200 -91.000 HIS 145 0.900 41.382 73.928 7.965 -99.200 -91.000 HIS 150 0.900 51.159 71.579 8.751 -99.200 -91.000 HIS 166 0.900 31.900 67.302 3.597 -99.200 -91.000 PHE 167 1.000 36.164 66.421 9.873 -99.200 -91.000 HIS 172 0.900 17.174 71.446 19.995 -99.200 -91.000 HIS 176 0.900 11.538 70.649 13.533 -99.200 -91.000 TYR 178 0.840 17.048 72.597 11.223 -99.200 -91.000 PHE 186 1.000 18.329 72.269 0.038 -99.200 -91.000 HIS 190 0.900 18.937 64.410 8.422 -99.200 -91.000 PHE 209 1.000 25.173 61.134 6.316 -99.200 -91.000 PHE 219 1.000 30.654 55.918 7.683 -99.200 -91.000