============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. HIS 7 0.900 38.728 32.295 13.244 -99.200 -91.000 PHE 21 1.000 41.365 17.876 26.294 -99.200 -91.000 TYR 22 0.840 41.302 21.812 23.018 -99.200 -91.000 PHE 28 1.000 45.297 22.014 19.158 -99.200 -91.000 TRP 34 1.040 41.860 37.627 25.423 -99.200 -91.000 TRP6 34 1.020 42.264 36.116 23.660 -99.200 -91.000 TYR 39 0.840 43.522 34.805 19.403 -99.200 -91.000 TRP 46 1.040 43.578 31.417 15.255 -99.200 -91.000 TRP6 46 1.020 42.871 33.373 14.131 -99.200 -91.000 TYR 55 0.840 29.850 25.975 26.368 -99.200 -91.000 TYR 62 0.840 27.833 11.640 14.102 -99.200 -91.000 HIS 64 0.900 32.317 14.070 14.582 -99.200 -91.000 TYR 65 0.840 34.027 20.967 16.877 -99.200 -91.000 PHE 67 1.000 41.445 18.449 16.903 -99.200 -91.000 PHE 74 1.000 43.858 5.273 16.663 -99.200 -91.000 PHE 77 1.000 45.712 11.510 20.670 -99.200 -91.000 HIS 84 0.900 47.587 12.150 31.022 -99.200 -91.000 TRP 89 1.040 32.864 11.786 21.002 -99.200 -91.000 TRP6 89 1.020 31.576 11.857 19.052 -99.200 -91.000 PHE 99 1.000 40.882 8.018 22.317 -99.200 -91.000 TYR 100 0.840 34.999 8.351 16.616 -99.200 -91.000 PHE 101 1.000 40.268 13.346 21.950 -99.200 -91.000 HIS 107 0.900 33.045 22.722 22.757 -99.200 -91.000 HIS 112 0.900 39.771 9.286 10.149 -99.200 -91.000 TYR 128 0.840 29.321 5.421 4.790 -99.200 -91.000 PHE 133 1.000 30.665 7.189 -4.125 -99.200 -91.000