============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 3 0.840 -19.084 49.471 2.446 -99.200 -91.000 HIS 9 0.900 -1.230 51.109 9.311 -99.200 -91.000 PHE 25 1.000 12.683 42.191 17.796 -99.200 -91.000 TYR 26 0.840 9.488 45.500 15.546 -99.200 -91.000 TRP 47 1.040 5.388 54.226 9.511 -99.200 -91.000 TRP6 47 1.020 3.953 55.120 7.819 -99.200 -91.000 PHE 48 1.000 11.296 48.861 11.100 -99.200 -91.000 HIS 56 0.900 2.396 52.399 9.601 -99.200 -91.000 PHE 63 1.000 5.759 50.557 25.271 -99.200 -91.000 HIS 70 0.900 -0.054 37.741 19.775 -99.200 -91.000 PHE 73 1.000 4.425 40.741 12.034 -99.200 -91.000 TYR 74 0.840 2.301 31.592 6.378 -99.200 -91.000 PHE 81 1.000 11.886 34.711 11.591 -99.200 -91.000 HIS 96 0.900 5.016 22.919 20.800 -99.200 -91.000 PHE 104 1.000 9.330 31.758 16.454 -99.200 -91.000 TYR 105 0.840 2.844 33.261 21.413 -99.200 -91.000 PHE 110 1.000 11.017 49.398 21.541 -99.200 -91.000 PHE 116 1.000 8.180 36.728 14.199 -99.200 -91.000