============================================================================= 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. TYR 1 0.840 31.398 47.472 29.508 -99.200 -91.000 TRP 7 1.040 28.338 40.129 19.493 -99.200 -91.000 TRP6 7 1.020 26.636 38.926 20.604 -99.200 -91.000 PHE 13 1.000 23.997 34.398 18.369 -99.200 -91.000 TRP 27 1.040 25.732 52.366 3.006 -99.200 -91.000 TRP6 27 1.020 26.006 53.014 0.777 -99.200 -91.000 PHE 29 1.000 28.335 44.146 0.594 -99.200 -91.000 PHE 61 1.000 15.846 57.799 5.974 -99.200 -91.000 HIS 64 0.900 25.359 60.510 -1.399 -99.200 -91.000 PHE 75 1.000 22.239 50.067 11.532 -99.200 -91.000 TYR 77 0.840 15.902 52.348 2.662 -99.200 -91.000 TYR 80 0.840 12.270 57.322 9.587 -99.200 -91.000 TYR 90 0.840 16.694 45.035 -4.508 -99.200 -91.000 TYR 92 0.840 26.738 44.185 -4.233 -99.200 -91.000 HIS 98 0.900 16.156 54.564 -11.197 -99.200 -91.000 PHE 101 1.000 10.792 47.823 0.579 -99.200 -91.000 PHE 109 1.000 10.142 43.726 8.882 -99.200 -91.000 TYR 131 0.840 22.957 46.705 25.411 -99.200 -91.000 PHE 136 1.000 34.945 49.382 13.168 -99.200 -91.000 PHE 138 1.000 39.145 50.904 8.946 -99.200 -91.000 PHE 144 1.000 42.756 47.734 6.462 -99.200 -91.000 TYR 147 0.840 45.158 42.445 8.512 -99.200 -91.000 TYR 152 0.840 46.247 48.966 9.658 -99.200 -91.000 HIS 158 0.900 46.039 62.019 7.591 -99.200 -91.000 HIS 166 0.900 36.390 49.098 4.031 -99.200 -91.000 TYR 173 0.840 35.678 43.267 24.052 -99.200 -91.000 TYR 180 0.840 42.982 41.051 19.318 -99.200 -91.000 TRP 181 1.040 38.192 47.927 18.197 -99.200 -91.000 TRP6 181 1.020 36.194 47.628 19.420 -99.200 -91.000 TRP 187 1.040 37.382 45.318 0.971 -99.200 -91.000 TRP6 187 1.020 39.419 46.280 1.686 -99.200 -91.000 TRP 191 1.040 41.881 42.548 2.637 -99.200 -91.000 TRP6 191 1.020 41.343 42.912 4.905 -99.200 -91.000 TYR 196 0.840 35.495 37.726 10.427 -99.200 -91.000 PHE 197 1.000 40.071 45.472 9.772 -99.200 -91.000 TYR 214 0.840 23.885 48.933 19.698 -99.200 -91.000