============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TRP 4 1.040 32.399 19.208 52.838 -99.200 -91.000 TRP6 4 1.020 30.520 20.406 53.657 -99.200 -91.000 HIS 29 0.900 24.998 16.559 40.613 -99.200 -91.000 TYR 33 0.840 27.547 10.693 33.847 -99.200 -91.000 HIS 37 0.900 35.962 0.767 25.012 -99.200 -91.000 PHE 53 1.000 19.815 10.111 41.829 -99.200 -91.000 PHE 90 1.000 39.845 6.609 33.529 -99.200 -91.000 HIS 93 0.900 35.779 9.604 23.998 -99.200 -91.000 PHE 96 1.000 26.697 13.505 29.703 -99.200 -91.000 TYR 97 0.840 22.180 20.611 32.351 -99.200 -91.000 PHE 98 1.000 19.663 12.930 32.360 -99.200 -91.000 TRP 106 1.040 26.694 21.898 32.918 -99.200 -91.000 TRP6 106 1.020 27.010 21.801 30.579 -99.200 -91.000 PHE 110 1.000 37.079 11.859 31.914 -99.200 -91.000 HIS 115 0.900 40.496 -6.854 28.165 -99.200 -91.000 PHE 118 1.000 36.522 -5.050 35.583 -99.200 -91.000 TRP 130 1.040 32.987 -7.757 30.673 -99.200 -91.000 TRP6 130 1.020 33.938 -5.668 30.072 -99.200 -91.000 PHE 143 1.000 21.539 -0.505 31.461 -99.200 -91.000 TRP 154 1.040 32.758 5.733 24.165 -99.200 -91.000 TRP6 154 1.020 32.331 3.470 23.643 -99.200 -91.000