============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 9.859 15.984 5.567 -99.200 -91.000 TRP6 9 1.020 9.065 15.406 3.444 -99.200 -91.000 TYR 10 0.840 5.625 12.173 11.447 -99.200 -91.000 PHE 17 1.000 14.837 14.953 7.713 -99.200 -91.000 TYR 31 0.840 16.130 10.698 11.917 -99.200 -91.000 TYR 42 0.840 20.117 11.217 19.511 -99.200 -91.000 TYR 48 0.840 18.082 22.897 -0.461 -99.200 -91.000 TRP 63 1.040 19.267 13.612 7.431 -99.200 -91.000 TRP6 63 1.020 17.788 13.040 5.687 -99.200 -91.000 TRP 67 1.040 22.934 7.784 15.356 -99.200 -91.000 TRP6 67 1.020 20.675 8.427 15.451 -99.200 -91.000 TYR 71 0.840 17.738 13.020 27.489 -99.200 -91.000 HIS 75 0.900 30.817 6.082 22.221 -99.200 -91.000 TRP 80 1.040 18.697 8.703 6.866 -99.200 -91.000 TRP6 80 1.020 19.542 9.383 8.959 -99.200 -91.000 TYR 84 0.840 10.800 17.790 -1.917 -99.200 -91.000 TRP 96 1.040 19.243 3.742 6.505 -99.200 -91.000 TRP6 96 1.020 20.350 2.080 7.780 -99.200 -91.000 TRP 108 1.040 35.369 -8.175 10.441 -99.200 -91.000 TRP6 108 1.020 33.430 -9.398 10.025 -99.200 -91.000 HIS 115 0.900 15.181 -0.274 1.810 -99.200 -91.000 PHE 118 1.000 13.155 9.830 6.450 -99.200 -91.000