============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 20 1.000 20.129 -3.891 23.733 -99.200 -91.000 TRP 32 1.040 15.499 -0.552 30.661 -99.200 -91.000 TRP6 32 1.020 17.759 0.045 30.376 -99.200 -91.000 HIS 43 0.900 6.525 -15.568 22.048 -99.200 -91.000 PHE 45 1.000 15.065 -10.138 23.773 -99.200 -91.000 HIS 46 0.900 17.538 -16.310 19.713 -99.200 -91.000 HIS 48 0.900 18.736 -13.831 14.565 -99.200 -91.000 PHE 50 1.000 25.010 -11.066 8.021 -99.200 -91.000 HIS 63 0.900 20.350 -17.754 17.189 -99.200 -91.000 PHE 64 1.000 27.959 -10.566 17.190 -99.200 -91.000 HIS 71 0.900 20.584 -21.131 20.596 -99.200 -91.000 HIS 80 0.900 25.154 -19.556 18.377 -99.200 -91.000 HIS 110 0.900 32.623 -11.077 23.081 -99.200 -91.000 HIS 120 0.900 13.724 -16.280 16.691 -99.200 -91.000