============================================================================= 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. TRP 5 1.040 21.762 21.405 17.230 -99.200 -91.000 TRP6 5 1.020 20.428 21.334 15.286 -99.200 -91.000 HIS 11 0.900 33.199 10.935 2.555 -99.200 -91.000 HIS 22 0.900 16.972 19.716 18.485 -99.200 -91.000 TYR 27 0.840 15.859 20.629 11.554 -99.200 -91.000 TYR 43 0.840 30.072 29.059 4.395 -99.200 -91.000 PHE 44 1.000 26.553 21.407 8.034 -99.200 -91.000 TRP 52 1.040 18.114 25.203 13.779 -99.200 -91.000 TRP6 52 1.020 15.783 25.207 13.971 -99.200 -91.000 HIS 58 0.900 26.619 14.893 22.135 -99.200 -91.000 PHE 65 1.000 32.718 17.071 12.374 -99.200 -91.000 TRP 76 1.040 32.838 34.864 16.207 -99.200 -91.000 TRP6 76 1.020 30.561 34.938 15.599 -99.200 -91.000 TYR 87 0.840 21.735 10.189 16.587 -99.200 -91.000 HIS 115 0.900 24.148 18.224 -11.852 -99.200 -91.000 PHE 125 1.000 9.769 19.617 1.759 -99.200 -91.000 HIS 127 0.900 14.614 12.600 9.233 -99.200 -91.000 HIS 129 0.900 8.412 19.118 5.298 -99.200 -91.000 TYR 138 0.840 2.662 16.632 17.729 -99.200 -91.000