============================================================================= 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. TYR 7 0.840 25.770 49.588 -51.362 -99.200 -91.000 TRP 8 1.040 34.207 54.661 -48.134 -99.200 -91.000 TRP6 8 1.020 33.914 56.979 -48.462 -99.200 -91.000 PHE 15 1.000 33.185 56.951 -53.584 -99.200 -91.000 TYR 24 0.840 24.350 69.514 -56.812 -99.200 -91.000 TYR 43 0.840 35.574 44.798 -44.473 -99.200 -91.000 TYR 45 0.840 40.119 45.306 -42.691 -99.200 -91.000 TYR 46 0.840 37.839 52.022 -47.659 -99.200 -91.000 TYR 49 0.840 38.001 60.037 -39.378 -99.200 -91.000 PHE 80 1.000 26.509 58.739 -40.570 -99.200 -91.000 PHE 84 1.000 21.740 64.997 -46.275 -99.200 -91.000 PHE 87 1.000 15.504 68.928 -33.395 -99.200 -91.000 TRP 92 1.040 31.531 64.854 -31.463 -99.200 -91.000 TRP6 92 1.020 33.246 65.414 -29.963 -99.200 -91.000 PHE 96 1.000 24.364 66.872 -42.577 -99.200 -91.000 TYR 102 0.840 26.938 70.495 -44.401 -99.200 -91.000 TYR 103 0.840 33.657 70.220 -48.394 -99.200 -91.000 HIS 136 0.900 24.581 74.023 -52.250 -99.200 -91.000 HIS 137 0.900 21.013 70.395 -59.681 -99.200 -91.000