============================================================================= 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. TYR 29 0.840 6.774 42.621 -5.880 -99.200 -91.000 TYR 37 0.840 27.293 27.165 5.479 -99.200 -91.000 PHE 51 1.000 14.222 28.403 -1.833 -99.200 -91.000 PHE 55 1.000 10.213 29.426 -4.818 -99.200 -91.000 PHE 63 1.000 26.650 27.267 1.334 -99.200 -91.000 PHE 80 1.000 30.717 27.185 -7.580 -99.200 -91.000 HIS 90 0.900 34.361 35.781 5.825 -99.200 -91.000 PHE 92 1.000 38.341 35.809 8.042 -99.200 -91.000 PHE 113 1.000 28.450 37.741 -6.178 -99.200 -91.000 HIS 120 0.900 29.995 41.757 11.812 -99.200 -91.000 PHE 126 1.000 40.372 41.458 15.605 -99.200 -91.000 TYR 146 0.840 35.657 42.673 -5.909 -99.200 -91.000 PHE 168 1.000 26.372 42.321 -9.309 -99.200 -91.000 PHE 187 1.000 28.804 55.623 -2.654 -99.200 -91.000 TYR 198 0.840 14.383 36.348 6.994 -99.200 -91.000