============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 1 0.900 -0.974 31.104 9.841 -99.200 -91.000 PHE 6 1.000 15.013 37.160 8.982 -99.200 -91.000 PHE 9 1.000 19.391 45.450 10.103 -99.200 -91.000 TYR 11 0.840 25.260 46.150 0.486 -99.200 -91.000 PHE 12 1.000 24.283 46.380 9.758 -99.200 -91.000 TYR 13 0.840 29.795 43.343 10.235 -99.200 -91.000 PHE 34 1.000 43.060 44.228 6.857 -99.200 -91.000 PHE 38 1.000 50.015 36.133 5.511 -99.200 -91.000 TYR 49 0.840 24.114 41.619 -2.589 -99.200 -91.000 PHE 54 1.000 33.320 41.286 -11.040 -99.200 -91.000 TYR 74 0.840 40.480 44.390 -1.092 -99.200 -91.000 TYR 82 0.840 30.992 47.556 10.597 -99.200 -91.000 TYR 96 0.840 7.019 50.091 11.566 -99.200 -91.000 TYR 109 0.840 13.323 35.385 12.731 -99.200 -91.000 TYR 119 0.840 0.651 35.228 4.925 -99.200 -91.000 TYR 123 0.840 4.245 43.088 -0.829 -99.200 -91.000 PHE 151 1.000 8.579 26.886 5.772 -99.200 -91.000 PHE 211 1.000 12.570 10.909 16.754 -99.200 -91.000 TYR 225 0.840 14.659 23.204 12.762 -99.200 -91.000 TYR 234 0.840 10.109 26.321 13.773 -99.200 -91.000 TYR 265 0.840 49.739 37.328 20.892 -99.200 -91.000 PHE 267 1.000 47.844 37.459 31.545 -99.200 -91.000 TYR 274 0.840 36.565 40.786 33.792 -99.200 -91.000 TYR 275 0.840 35.361 49.256 26.982 -99.200 -91.000 HIS 286 0.900 33.947 27.340 29.447 -99.200 -91.000 PHE 303 1.000 36.206 30.379 39.671 -99.200 -91.000 HIS 305 0.900 33.525 33.208 43.824 -99.200 -91.000 TYR 313 0.840 44.669 39.776 33.879 -99.200 -91.000 PHE 338 1.000 35.817 36.489 31.361 -99.200 -91.000 PHE 341 1.000 27.230 37.312 31.071 -99.200 -91.000