============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 3 1.000 -2.153 11.159 13.317 -99.200 -91.000 HIS 15 0.900 -11.188 11.700 17.031 -99.200 -91.000 TYR 20 0.840 -12.361 19.528 26.211 -99.200 -91.000 TYR 23 0.840 -5.785 25.121 27.629 -99.200 -91.000 TRP 28 1.040 -5.945 20.973 22.410 -99.200 -91.000 TRP6 28 1.020 -5.658 19.749 24.419 -99.200 -91.000 PHE 34 1.000 8.096 21.581 19.763 -99.200 -91.000 PHE 38 1.000 3.198 16.680 14.843 -99.200 -91.000 TYR 53 0.840 2.164 3.783 28.665 -99.200 -91.000 TRP 62 1.040 -1.901 11.911 39.606 -99.200 -91.000 TRP6 62 1.020 -2.028 14.319 39.581 -99.200 -91.000 TRP 63 1.040 -3.320 12.119 34.018 -99.200 -91.000 TRP6 63 1.020 -5.367 13.116 34.722 -99.200 -91.000 TRP 108 1.040 -0.101 16.843 27.797 -99.200 -91.000 TRP6 108 1.020 -2.347 17.438 28.200 -99.200 -91.000 TRP 111 1.040 0.556 24.129 25.790 -99.200 -91.000 TRP6 111 1.020 0.215 25.507 27.693 -99.200 -91.000 TRP 123 1.040 3.521 24.228 16.120 -99.200 -91.000 TRP6 123 1.020 4.809 22.610 14.970 -99.200 -91.000