============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. HIS 1 0.900 147.239 72.317 128.030 -99.200 -91.000 TYR 2 0.840 144.703 78.546 124.267 -99.200 -91.000 TRP 4 1.040 138.718 77.978 120.582 -99.200 -91.000 TRP6 4 1.020 138.695 80.290 120.079 -99.200 -91.000 TRP 13 1.040 131.534 73.229 127.686 -99.200 -91.000 TRP6 13 1.020 133.088 73.406 125.906 -99.200 -91.000 TRP 22 1.040 134.085 68.185 129.791 -99.200 -91.000 TRP6 22 1.020 133.159 68.658 131.919 -99.200 -91.000 TYR 27 0.840 148.377 69.211 122.938 -99.200 -91.000 PHE 39 1.000 139.992 68.763 121.882 -99.200 -91.000 TYR 60 0.840 133.269 79.458 118.872 -99.200 -91.000 TRP 61 1.040 132.540 85.124 124.586 -99.200 -91.000 TRP6 61 1.020 133.544 87.029 125.569 -99.200 -91.000 TYR 67 0.840 148.177 79.884 127.851 -99.200 -91.000 HIS 68 0.900 150.232 77.342 124.559 -99.200 -91.000 PHE 74 1.000 136.721 81.901 114.972 -99.200 -91.000 TYR 75 0.840 138.567 75.928 108.364 -99.200 -91.000 TRP 88 1.040 124.816 67.268 108.491 -99.200 -91.000 TRP6 88 1.020 126.408 69.002 108.229 -99.200 -91.000 TRP 95 1.040 133.720 70.877 108.176 -99.200 -91.000 TRP6 95 1.020 132.778 71.987 110.039 -99.200 -91.000 PHE 96 1.000 131.145 78.103 104.293 -99.200 -91.000 TYR 99 0.840 139.292 86.000 112.005 -99.200 -91.000 HIS 102 0.900 146.545 86.397 107.450 -99.200 -91.000 PHE 105 1.000 155.047 87.850 108.653 -99.200 -91.000 TRP 111 1.040 151.891 84.215 116.504 -99.200 -91.000 TRP6 111 1.020 151.307 83.220 114.441 -99.200 -91.000 PHE 119 1.000 140.146 85.227 119.796 -99.200 -91.000 TYR 131 0.840 118.330 75.015 112.050 -99.200 -91.000 TYR 132 0.840 125.409 77.866 107.226 -99.200 -91.000 HIS 142 0.900 153.089 75.925 122.440 -99.200 -91.000 PHE 152 1.000 146.021 71.635 114.466 -99.200 -91.000 TYR 153 0.840 145.317 74.511 122.697 -99.200 -91.000 PHE 175 1.000 138.852 71.136 109.019 -99.200 -91.000 TYR 179 0.840 143.988 72.277 108.982 -99.200 -91.000 TYR 191 0.840 159.498 79.965 119.469 -99.200 -91.000 TYR 192 0.840 168.244 80.691 113.445 -99.200 -91.000 TYR 198 0.840 151.243 80.744 109.734 -99.200 -91.000 PHE 206 1.000 132.008 82.400 100.489 -99.200 -91.000