============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. HIS 7 0.900 4.191 -4.764 -5.508 -99.200 -91.000 PHE 14 1.000 10.846 -11.387 -4.720 -99.200 -91.000 TYR 16 0.840 10.323 -21.195 1.302 -99.200 -91.000 TRP 17 1.040 15.230 -11.820 -1.778 -99.200 -91.000 TRP6 17 1.020 15.920 -12.166 -4.030 -99.200 -91.000 PHE 33 1.000 13.097 -7.459 -12.632 -99.200 -91.000 TYR 34 0.840 8.219 -14.643 -12.014 -99.200 -91.000 TYR 35 0.840 13.906 -16.734 -5.002 -99.200 -91.000 PHE 45 1.000 4.093 -8.424 -15.310 -99.200 -91.000 TRP 54 1.040 18.980 -9.044 -8.160 -99.200 -91.000 TRP6 54 1.020 18.182 -7.079 -9.212 -99.200 -91.000 TRP 61 1.040 10.969 0.781 -11.142 -99.200 -91.000 TRP6 61 1.020 9.638 -0.367 -12.717 -99.200 -91.000 HIS 64 0.900 12.045 -4.772 -16.014 -99.200 -91.000 TRP 67 1.040 21.459 -5.570 -17.276 -99.200 -91.000 TRP6 67 1.020 23.406 -5.470 -18.631 -99.200 -91.000 PHE 68 1.000 16.387 -8.658 -19.411 -99.200 -91.000 PHE 73 1.000 5.461 -3.765 -14.891 -99.200 -91.000 PHE 82 1.000 14.131 4.781 -15.708 -99.200 -91.000 TYR 90 0.840 21.305 11.504 -21.438 -99.200 -91.000