============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 3 0.900 19.494 3.538 51.645 -99.200 -91.000 TYR 4 0.840 14.260 0.062 41.996 -99.200 -91.000 PHE 10 1.000 10.213 8.592 35.708 -99.200 -91.000 PHE 12 1.000 9.323 13.607 45.737 -99.200 -91.000 TYR 13 0.840 11.990 16.127 35.406 -99.200 -91.000 TYR 23 0.840 -1.486 24.749 39.958 -99.200 -91.000 TYR 26 0.840 -7.402 24.322 34.830 -99.200 -91.000 TYR 30 0.840 -7.595 33.987 36.452 -99.200 -91.000 TYR 34 0.840 3.875 25.745 39.993 -99.200 -91.000 TYR 37 0.840 -1.430 29.243 42.149 -99.200 -91.000 PHE 58 1.000 11.541 25.980 50.004 -99.200 -91.000 TYR 76 0.840 -2.336 40.468 39.325 -99.200 -91.000 PHE 104 1.000 -2.472 19.272 43.196 -99.200 -91.000 PHE 107 1.000 -1.950 15.463 38.529 -99.200 -91.000 PHE 124 1.000 11.208 14.149 50.278 -99.200 -91.000