============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 9 1.000 -22.564 32.271 12.104 -99.200 -91.000 PHE 24 1.000 -4.322 43.192 19.455 -99.200 -91.000 TYR 41 0.840 3.191 23.931 18.826 -99.200 -91.000 TYR 45 0.840 -9.143 19.949 23.970 -99.200 -91.000 PHE 48 1.000 -15.600 24.558 18.623 -99.200 -91.000 TYR 52 0.840 -6.732 19.889 15.389 -99.200 -91.000 HIS 69 0.900 2.069 10.757 22.977 -99.200 -91.000 HIS 73 0.900 10.764 23.357 25.510 -99.200 -91.000 PHE 81 1.000 -11.072 28.424 18.199 -99.200 -91.000 TYR 97 0.840 -1.364 22.831 26.604 -99.200 -91.000 TRP 100 1.040 5.362 20.592 29.104 -99.200 -91.000 TRP6 100 1.020 3.864 19.878 27.401 -99.200 -91.000 HIS 101 0.900 6.692 26.983 34.355 -99.200 -91.000 TYR 104 0.840 -3.580 27.452 29.797 -99.200 -91.000 PHE 127 1.000 -23.514 30.775 18.227 -99.200 -91.000 HIS 140 0.900 -34.608 22.862 15.495 -99.200 -91.000 PHE 150 1.000 -16.157 35.979 11.435 -99.200 -91.000 HIS 154 0.900 -10.325 39.021 13.919 -99.200 -91.000 TRP 165 1.040 6.039 42.127 13.663 -99.200 -91.000 TRP6 165 1.020 5.659 40.072 14.746 -99.200 -91.000