============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. HIS 1 0.900 -39.208 42.977 42.521 -99.200 -91.000 PHE 2 1.000 -39.293 40.345 37.411 -99.200 -91.000 TYR 9 0.840 -43.871 29.068 33.583 -99.200 -91.000 TYR 16 0.840 -28.473 17.557 34.899 -99.200 -91.000 HIS 22 0.900 -27.625 13.497 42.308 -99.200 -91.000 PHE 23 1.000 -32.470 13.873 35.199 -99.200 -91.000 HIS 42 0.900 -42.403 8.786 42.139 -99.200 -91.000 PHE 45 1.000 -40.603 17.899 39.867 -99.200 -91.000 TYR 56 0.840 -48.659 27.862 43.275 -99.200 -91.000 TYR 65 0.840 -49.443 22.311 43.961 -99.200 -91.000 TYR 75 0.840 -43.730 21.135 52.865 -99.200 -91.000 PHE 86 1.000 -40.144 26.954 45.900 -99.200 -91.000 HIS 94 0.900 -25.859 30.885 29.292 -99.200 -91.000 TYR 95 0.840 -26.503 26.261 34.542 -99.200 -91.000 TYR 98 0.840 -37.060 26.950 39.613 -99.200 -91.000 HIS 103 0.900 -39.025 31.003 54.817 -99.200 -91.000 TRP 108 1.040 -33.462 30.532 53.957 -99.200 -91.000 TRP6 108 1.020 -35.018 29.683 55.536 -99.200 -91.000 PHE 109 1.000 -30.760 31.261 45.998 -99.200 -91.000 HIS 125 0.900 -23.474 30.438 49.669 -99.200 -91.000 TYR 126 0.840 -28.656 35.423 44.471 -99.200 -91.000 PHE 133 1.000 -32.313 22.718 40.804 -99.200 -91.000