============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 8 0.840 -34.195 -31.055 48.695 -99.200 -91.000 PHE 10 1.000 -41.265 -24.899 41.842 -99.200 -91.000 TRP 11 1.040 -40.967 -31.239 43.629 -99.200 -91.000 TRP6 11 1.020 -43.276 -31.058 43.207 -99.200 -91.000 PHE 13 1.000 -41.830 -20.763 45.838 -99.200 -91.000 TYR 19 0.840 -48.449 -23.350 56.822 -99.200 -91.000 TYR 20 0.840 -48.989 -16.311 51.173 -99.200 -91.000 TYR 30 0.840 -61.440 -22.045 58.120 -99.200 -91.000 PHE 46 1.000 -53.263 -26.315 55.515 -99.200 -91.000 PHE 54 1.000 -58.293 -6.377 53.454 -99.200 -91.000 HIS 58 0.900 -64.581 7.108 49.434 -99.200 -91.000 PHE 86 1.000 -78.495 -37.225 58.142 -99.200 -91.000 HIS 88 0.900 -78.824 -28.294 60.000 -99.200 -91.000 TRP 104 1.040 -81.439 -11.624 54.619 -99.200 -91.000 TRP6 104 1.020 -80.701 -10.333 56.463 -99.200 -91.000 HIS 116 0.900 -63.914 10.655 41.327 -99.200 -91.000 HIS 118 0.900 -70.106 12.145 44.137 -99.200 -91.000 PHE 130 1.000 -73.783 6.866 33.419 -99.200 -91.000 HIS 131 0.900 -76.585 8.071 26.471 -99.200 -91.000 TRP 158 1.040 -82.654 1.966 40.564 -99.200 -91.000 TRP6 158 1.020 -82.169 2.627 42.783 -99.200 -91.000 PHE 168 1.000 -79.955 -4.072 41.981 -99.200 -91.000 HIS 194 0.900 -90.986 -15.024 31.906 -99.200 -91.000 PHE 203 1.000 -92.388 -9.921 40.263 -99.200 -91.000 TYR 226 0.840 -88.701 -12.277 48.045 -99.200 -91.000 TYR 233 0.840 -86.847 -22.002 49.715 -99.200 -91.000