============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 15 1.000 43.061 -34.836 -15.421 -99.200 -91.000 PHE 20 1.000 39.546 -29.661 -23.359 -99.200 -91.000 TYR 22 0.840 34.757 -29.752 -24.495 -99.200 -91.000 HIS 25 0.900 31.620 -23.267 -28.690 -99.200 -91.000 PHE 36 1.000 41.957 -35.407 -11.190 -99.200 -91.000 TYR 39 0.840 47.576 -41.764 -4.606 -99.200 -91.000 TYR 65 0.840 37.642 -33.318 -26.955 -99.200 -91.000 TYR 82 0.840 51.031 -44.879 -21.543 -99.200 -91.000 HIS 84 0.900 45.917 -46.031 -32.429 -99.200 -91.000 HIS 85 0.900 44.698 -49.984 -32.447 -99.200 -91.000 TYR 86 0.840 49.457 -50.222 -22.883 -99.200 -91.000 HIS 88 0.900 39.255 -49.244 -26.671 -99.200 -91.000 PHE 99 1.000 21.674 -49.130 -35.482 -99.200 -91.000 PHE 103 1.000 20.508 -57.794 -25.574 -99.200 -91.000 TYR 109 0.840 32.277 -51.610 -30.268 -99.200 -91.000 HIS 130 0.900 23.038 -65.237 -17.018 -99.200 -91.000 PHE 132 1.000 18.658 -57.420 -19.837 -99.200 -91.000 PHE 136 1.000 16.080 -60.464 -24.074 -99.200 -91.000 TYR 140 0.840 24.324 -63.705 -22.334 -99.200 -91.000 TYR 194 0.840 33.607 -48.607 -2.942 -99.200 -91.000 TRP 199 1.040 36.568 -54.537 -10.558 -99.200 -91.000 TRP6 199 1.020 37.159 -53.003 -12.252 -99.200 -91.000 HIS 209 0.900 25.339 -34.313 -10.683 -99.200 -91.000 HIS 218 0.900 38.544 -47.146 -1.147 -99.200 -91.000 HIS 219 0.900 40.990 -37.866 -2.147 -99.200 -91.000 PHE 222 1.000 31.657 -29.745 -4.606 -99.200 -91.000 HIS 234 0.900 29.884 -38.377 3.871 -99.200 -91.000 TYR 244 0.840 30.816 -34.586 0.205 -99.200 -91.000