============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 3 1.000 51.253 61.831 -14.034 -99.200 -91.000 HIS 10 0.900 36.174 56.270 -12.229 -99.200 -91.000 TRP 38 1.040 33.521 66.173 -5.535 -99.200 -91.000 TRP6 38 1.020 32.811 63.961 -5.849 -99.200 -91.000 TYR 39 0.840 31.653 70.311 -12.380 -99.200 -91.000 HIS 55 0.900 25.405 71.545 2.923 -99.200 -91.000 PHE 65 1.000 31.723 64.397 6.420 -99.200 -91.000 PHE 66 1.000 27.120 65.776 -0.047 -99.200 -91.000 HIS 71 0.900 14.697 64.504 1.141 -99.200 -91.000 TYR 82 0.840 26.425 64.989 -5.770 -99.200 -91.000 TYR 89 0.840 51.226 72.238 -17.137 -99.200 -91.000 HIS 96 0.900 33.743 55.079 -14.771 -99.200 -91.000 PHE 109 1.000 3.846 47.435 7.375 -99.200 -91.000 HIS 134 0.900 15.884 53.736 -3.244 -99.200 -91.000 TRP 141 1.040 4.882 37.674 7.791 -99.200 -91.000 TRP6 141 1.020 2.629 38.375 7.632 -99.200 -91.000 TYR 166 0.840 -1.315 20.076 6.587 -99.200 -91.000 TYR 175 0.840 -0.409 34.952 13.466 -99.200 -91.000