============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 5 1.000 25.484 7.424 9.489 -99.200 -91.000 TYR 9 0.840 25.911 18.245 5.603 -99.200 -91.000 PHE 19 1.000 23.038 33.712 20.498 -99.200 -91.000 TYR 31 0.840 26.885 13.718 26.572 -99.200 -91.000 TYR 37 0.840 23.319 23.222 13.022 -99.200 -91.000 TYR 50 0.840 22.393 27.201 25.220 -99.200 -91.000 TYR 55 0.840 11.913 25.953 17.964 -99.200 -91.000 TYR 69 0.840 9.981 14.661 15.152 -99.200 -91.000 HIS 78 0.900 23.302 23.366 35.395 -99.200 -91.000 PHE 83 1.000 12.474 18.543 29.667 -99.200 -91.000 TRP 84 1.040 9.724 20.123 34.087 -99.200 -91.000 TRP6 84 1.020 8.006 18.845 33.071 -99.200 -91.000 TRP 88 1.040 3.482 27.464 30.975 -99.200 -91.000 TRP6 88 1.020 1.879 26.192 32.153 -99.200 -91.000 HIS 110 0.900 18.209 16.035 38.265 -99.200 -91.000 TYR 112 0.840 12.540 15.071 32.396 -99.200 -91.000 TRP 113 1.040 9.616 11.127 36.074 -99.200 -91.000 TRP6 113 1.020 11.588 10.730 34.796 -99.200 -91.000 HIS 122 0.900 12.770 20.467 38.666 -99.200 -91.000 PHE 125 1.000 6.693 26.344 34.390 -99.200 -91.000 HIS 126 0.900 3.082 20.926 42.684 -99.200 -91.000 TYR 138 0.840 5.619 1.528 25.380 -99.200 -91.000 HIS 154 0.900 0.335 21.499 28.621 -99.200 -91.000 HIS 158 0.900 8.591 11.206 30.950 -99.200 -91.000 TYR 161 0.840 12.279 1.479 23.689 -99.200 -91.000 TRP 164 1.040 19.289 1.852 22.341 -99.200 -91.000 TRP6 164 1.020 18.189 2.400 20.316 -99.200 -91.000 HIS 167 0.900 28.352 -1.773 26.290 -99.200 -91.000 PHE 176 1.000 12.991 2.970 18.552 -99.200 -91.000 PHE 179 1.000 8.646 4.754 22.836 -99.200 -91.000 TYR 182 0.840 1.661 4.848 23.602 -99.200 -91.000 HIS 196 0.900 14.806 13.441 27.524 -99.200 -91.000 TYR 224 0.840 15.317 7.763 -2.473 -99.200 -91.000 TYR 246 0.840 22.165 5.502 7.482 -99.200 -91.000 PHE 248 1.000 17.158 -0.291 15.730 -99.200 -91.000 TYR 257 0.840 8.652 -2.393 0.768 -99.200 -91.000