============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 30 0.900 81.782 42.706 10.697 -99.200 -91.000 HIS 38 0.900 79.229 38.662 16.535 -99.200 -91.000 TYR 46 0.840 73.222 50.147 22.482 -99.200 -91.000 PHE 51 1.000 70.831 55.908 20.849 -99.200 -91.000 PHE 56 1.000 79.638 49.020 6.183 -99.200 -91.000 HIS 61 0.900 85.186 39.777 8.016 -99.200 -91.000 TYR 76 0.840 95.009 36.660 11.377 -99.200 -91.000 TYR 81 0.840 95.317 45.372 11.305 -99.200 -91.000 PHE 87 1.000 83.720 47.200 8.822 -99.200 -91.000 PHE 102 1.000 67.721 56.300 7.433 -99.200 -91.000 PHE 107 1.000 75.427 59.925 19.643 -99.200 -91.000 PHE 116 1.000 93.362 49.845 13.717 -99.200 -91.000 HIS 119 0.900 90.602 54.384 18.649 -99.200 -91.000 PHE 126 1.000 82.268 59.419 11.064 -99.200 -91.000 PHE 134 1.000 80.267 48.412 22.827 -99.200 -91.000 PHE 139 1.000 98.696 52.434 19.944 -99.200 -91.000 TYR 157 0.840 100.850 46.522 12.225 -99.200 -91.000 TYR 168 0.840 91.460 59.750 17.644 -99.200 -91.000 HIS 175 0.900 88.944 51.911 23.332 -99.200 -91.000 HIS 177 0.900 89.727 45.725 26.021 -99.200 -91.000 HIS 182 0.900 93.636 35.627 27.838 -99.200 -91.000 HIS 198 0.900 96.912 64.912 21.398 -99.200 -91.000 TYR 199 0.840 89.257 62.466 23.095 -99.200 -91.000 PHE 207 1.000 81.764 48.803 32.451 -99.200 -91.000 HIS 214 0.900 88.182 40.342 21.241 -99.200 -91.000 PHE 226 1.000 80.705 57.952 26.343 -99.200 -91.000 HIS 229 0.900 76.726 62.586 30.096 -99.200 -91.000 TRP 230 1.040 79.202 62.093 25.691 -99.200 -91.000 TRP6 230 1.020 80.068 64.180 26.360 -99.200 -91.000