============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 27 0.840 10.859 71.182 161.921 -99.200 -91.000 PHE 29 1.000 8.711 66.749 167.177 -99.200 -91.000 TYR 32 0.840 8.107 70.432 157.619 -99.200 -91.000 TRP 33 1.040 6.055 62.013 156.861 -99.200 -91.000 TRP6 33 1.020 5.281 59.963 157.754 -99.200 -91.000 TRP 36 1.040 14.665 58.145 163.551 -99.200 -91.000 TRP6 36 1.020 16.199 58.924 165.183 -99.200 -91.000 TRP 47 1.040 14.203 55.539 155.166 -99.200 -91.000 TRP6 47 1.020 12.340 54.221 154.562 -99.200 -91.000 PHE 51 1.000 6.671 58.365 165.367 -99.200 -91.000 TYR 52 0.840 3.042 64.136 160.057 -99.200 -91.000 TYR 60 0.840 8.931 51.098 162.349 -99.200 -91.000 PHE 64 1.000 17.037 49.067 159.719 -99.200 -91.000 HIS 80 0.900 12.695 60.399 172.415 -99.200 -91.000 TRP 83 1.040 17.850 49.617 168.553 -99.200 -91.000 TRP6 83 1.020 18.815 51.770 168.426 -99.200 -91.000 TYR 93 0.840 21.891 53.453 164.933 -99.200 -91.000 TYR 94 0.840 24.644 60.914 160.114 -99.200 -91.000 TYR 102 0.840 12.668 70.625 147.292 -99.200 -91.000 PHE 110 1.000 14.664 61.448 154.809 -99.200 -91.000 PHE 112 1.000 17.235 72.825 157.150 -99.200 -91.000 TRP 113 1.040 20.451 65.050 156.438 -99.200 -91.000 TRP6 113 1.020 20.800 62.729 156.263 -99.200 -91.000 PHE 132 1.000 47.398 29.992 166.596 -99.200 -91.000 TYR 155 0.840 43.257 41.702 170.171 -99.200 -91.000 PHE 156 1.000 35.851 43.144 174.468 -99.200 -91.000 TRP 164 1.040 57.813 41.821 164.452 -99.200 -91.000 TRP6 164 1.020 57.708 39.549 163.833 -99.200 -91.000 HIS 174 0.900 51.450 47.918 157.593 -99.200 -91.000 PHE 176 1.000 48.933 44.917 157.274 -99.200 -91.000 TYR 186 0.840 38.337 44.676 168.950 -99.200 -91.000 TYR 204 0.840 64.182 37.837 161.138 -99.200 -91.000 HIS 210 0.900 44.322 41.632 175.538 -99.200 -91.000