============================================================================= 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 4 1.000 37.677 2.753 16.972 -99.200 -91.000 TYR 18 0.840 43.602 19.877 15.440 -99.200 -91.000 TYR 24 0.840 33.961 25.572 11.564 -99.200 -91.000 TYR 25 0.840 39.454 28.211 18.059 -99.200 -91.000 HIS 31 0.900 35.524 15.971 20.520 -99.200 -91.000 PHE 67 1.000 39.544 7.882 16.461 -99.200 -91.000 TYR 88 0.840 26.646 0.987 9.071 -99.200 -91.000 PHE 104 1.000 35.680 11.307 13.669 -99.200 -91.000 PHE 114 1.000 27.979 14.044 -0.098 -99.200 -91.000 TRP 126 1.040 30.497 -1.471 -5.867 -99.200 -91.000 TRP6 126 1.020 29.320 -0.824 -3.917 -99.200 -91.000 TRP 138 1.040 34.063 14.789 1.645 -99.200 -91.000 TRP6 138 1.020 33.839 12.812 0.327 -99.200 -91.000 TYR 139 0.840 37.134 15.139 -5.776 -99.200 -91.000 PHE 153 1.000 31.559 5.023 0.369 -99.200 -91.000 TRP 158 1.040 40.399 -1.909 4.955 -99.200 -91.000 TRP6 158 1.020 39.349 0.012 5.886 -99.200 -91.000 TYR 161 0.840 42.142 5.366 4.160 -99.200 -91.000