============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 27 0.900 -7.162 6.970 1.160 -99.200 -91.000 TYR 31 0.840 -6.631 7.823 -8.074 -99.200 -91.000 TRP 32 1.040 -13.358 0.879 -9.276 -99.200 -91.000 TRP6 32 1.020 -12.942 -1.453 -9.638 -99.200 -91.000 TYR 33 0.840 -5.317 -1.737 -12.093 -99.200 -91.000 HIS 39 0.900 4.202 -6.954 -17.287 -99.200 -91.000 HIS 45 0.900 -15.569 3.206 -15.302 -99.200 -91.000 TYR 46 0.840 -10.068 9.108 -13.983 -99.200 -91.000 TYR 48 0.840 -13.113 15.306 -7.697 -99.200 -91.000 TYR 62 0.840 -15.323 -1.131 -18.714 -99.200 -91.000 PHE 72 1.000 -16.269 3.699 -8.507 -99.200 -91.000 TYR 87 0.840 -13.817 -6.662 -13.655 -99.200 -91.000 PHE 88 1.000 -6.136 -6.121 -8.725 -99.200 -91.000 PHE 100 1.000 -3.476 3.686 2.052 -99.200 -91.000 PHE 101 1.000 -3.889 -0.527 -6.770 -99.200 -91.000 TYR 114 0.840 -12.838 -26.450 -30.161 -99.200 -91.000 TRP 150 1.040 23.112 -15.616 -11.144 -99.200 -91.000 TRP6 150 1.020 22.248 -15.139 -13.328 -99.200 -91.000 TYR 161 0.840 10.837 9.177 -22.771 -99.200 -91.000 PHE 166 1.000 7.975 13.525 -21.007 -99.200 -91.000 TYR 168 0.840 3.667 13.169 -12.287 -99.200 -91.000 PHE 169 1.000 7.711 9.766 -17.599 -99.200 -91.000 TRP 171 1.040 10.026 4.387 -12.298 -99.200 -91.000 TRP6 171 1.020 10.886 2.200 -12.765 -99.200 -91.000 TYR 172 0.840 0.978 3.606 -8.595 -99.200 -91.000 PHE 175 1.000 6.306 -7.138 -3.538 -99.200 -91.000 PHE 198 1.000 13.622 3.660 -5.410 -99.200 -91.000 PHE 201 1.000 21.879 5.847 -13.512 -99.200 -91.000 PHE 202 1.000 17.451 12.199 -20.604 -99.200 -91.000 HIS 212 0.900 21.286 1.445 -12.271 -99.200 -91.000 TYR 224 0.840 10.887 -3.095 -9.466 -99.200 -91.000 PHE 225 1.000 2.147 -2.973 -13.158 -99.200 -91.000 PHE 232 1.000 -8.664 15.791 -15.343 -99.200 -91.000 PHE 237 1.000 0.344 2.912 -14.579 -99.200 -91.000 TYR 248 0.840 15.306 -21.617 -1.707 -99.200 -91.000