============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. TYR 26 0.840 16.733 20.267 94.760 -99.200 -91.000 PHE 40 1.000 14.442 21.385 74.955 -99.200 -91.000 TYR 46 0.840 17.451 29.796 98.371 -99.200 -91.000 HIS 47 0.900 24.749 27.651 97.744 -99.200 -91.000 PHE 48 1.000 26.018 31.184 100.551 -99.200 -91.000 HIS 98 0.900 17.153 31.341 74.359 -99.200 -91.000 TYR 125 0.840 24.425 46.422 81.334 -99.200 -91.000 TRP 127 1.040 27.526 41.612 79.285 -99.200 -91.000 TRP6 127 1.020 28.239 39.587 78.280 -99.200 -91.000