============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 12 1.000 -5.029 9.049 40.220 -99.200 -91.000 TYR 17 0.840 -1.118 12.358 42.977 -99.200 -91.000 PHE 18 1.000 -4.824 15.449 41.389 -99.200 -91.000 TRP 23 1.040 1.692 13.292 46.286 -99.200 -91.000 TRP6 23 1.020 1.859 11.047 46.990 -99.200 -91.000 TYR 24 0.840 8.191 16.119 51.164 -99.200 -91.000 TYR 28 0.840 16.367 13.548 39.271 -99.200 -91.000 TYR 40 0.840 16.264 20.437 39.956 -99.200 -91.000 TYR 58 0.840 11.453 24.089 46.632 -99.200 -91.000 HIS 59 0.900 10.651 22.115 39.337 -99.200 -91.000 TYR 60 0.840 17.780 24.752 46.716 -99.200 -91.000 PHE 68 1.000 12.234 26.268 38.578 -99.200 -91.000 TYR 69 0.840 8.262 27.852 46.204 -99.200 -91.000 TYR 82 0.840 -5.172 14.552 36.164 -99.200 -91.000 PHE 86 1.000 5.014 26.005 32.843 -99.200 -91.000 TYR 104 0.840 1.592 21.607 26.610 -99.200 -91.000 TYR 105 0.840 2.867 20.352 34.977 -99.200 -91.000 PHE 107 1.000 1.534 14.986 37.819 -99.200 -91.000 TYR 111 0.840 1.599 2.047 43.162 -99.200 -91.000 HIS 120 0.900 5.567 10.828 30.835 -99.200 -91.000 HIS 124 0.900 5.260 19.659 25.322 -99.200 -91.000 TYR 134 0.840 8.925 7.397 32.777 -99.200 -91.000 PHE 160 1.000 14.189 3.023 42.833 -99.200 -91.000 PHE 163 1.000 13.014 5.880 38.021 -99.200 -91.000 TYR 173 0.840 11.848 18.816 50.022 -99.200 -91.000