============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 7 1.000 10.518 23.461 61.730 -99.200 -91.000 PHE 27 1.000 21.622 25.409 62.012 -99.200 -91.000 PHE 32 1.000 24.800 19.950 61.126 -99.200 -91.000 PHE 39 1.000 9.736 35.578 55.105 -99.200 -91.000 HIS 46 0.900 2.147 25.426 61.000 -99.200 -91.000 HIS 50 0.900 7.022 24.128 66.411 -99.200 -91.000 TYR 51 0.840 6.700 26.561 70.312 -99.200 -91.000 PHE 59 1.000 6.243 29.002 78.586 -99.200 -91.000 PHE 60 1.000 0.268 27.225 74.113 -99.200 -91.000 TYR 66 0.840 8.593 35.371 70.089 -99.200 -91.000 TRP 77 1.040 19.293 23.830 58.339 -99.200 -91.000 TRP6 77 1.020 21.038 24.533 56.888 -99.200 -91.000 PHE 107 1.000 23.962 36.786 66.356 -99.200 -91.000 HIS 117 0.900 11.476 24.509 67.447 -99.200 -91.000 TRP 132 1.040 6.607 23.925 61.510 -99.200 -91.000 TRP6 132 1.020 6.345 26.277 61.539 -99.200 -91.000 PHE 133 1.000 9.613 22.827 55.437 -99.200 -91.000 TYR 141 0.840 20.742 19.666 48.149 -99.200 -91.000 HIS 146 0.900 28.341 12.553 52.329 -99.200 -91.000 TRP 148 1.040 36.882 16.859 49.909 -99.200 -91.000 TRP6 148 1.020 39.037 15.999 50.403 -99.200 -91.000 TYR 150 0.840 28.711 13.549 57.012 -99.200 -91.000