============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 8 1.000 21.307 -9.698 11.462 -99.200 -91.000 PHE 16 1.000 30.425 -17.311 8.910 -99.200 -91.000 TYR 22 0.840 39.458 -10.475 1.835 -99.200 -91.000 TRP 28 1.040 46.945 -17.011 -8.092 -99.200 -91.000 TRP6 28 1.020 48.413 -15.146 -8.328 -99.200 -91.000 PHE 29 1.000 47.993 -11.969 -3.766 -99.200 -91.000 TRP 34 1.040 53.152 -12.551 -6.242 -99.200 -91.000 TRP6 34 1.020 54.235 -10.497 -6.779 -99.200 -91.000 TYR 40 0.840 45.550 -6.126 3.215 -99.200 -91.000 HIS 51 0.900 34.165 -7.551 10.240 -99.200 -91.000 PHE 55 1.000 26.291 -8.390 10.295 -99.200 -91.000 PHE 58 1.000 21.547 -7.024 16.670 -99.200 -91.000 TRP 80 1.040 42.037 -14.105 -8.917 -99.200 -91.000 TRP6 80 1.020 41.867 -15.015 -6.743 -99.200 -91.000 TRP 87 1.040 46.333 -6.984 -4.429 -99.200 -91.000 TRP6 87 1.020 45.762 -6.546 -2.171 -99.200 -91.000 HIS 112 0.900 8.849 2.483 10.827 -99.200 -91.000 PHE 114 1.000 13.830 3.731 14.711 -99.200 -91.000 PHE 119 1.000 25.328 -5.987 14.683 -99.200 -91.000 PHE 123 1.000 29.517 -4.960 11.726 -99.200 -91.000 HIS 124 0.900 25.607 0.876 7.341 -99.200 -91.000