============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 6 1.000 29.844 41.332 8.230 -99.200 -91.000 PHE 11 1.000 30.220 36.835 13.600 -99.200 -91.000 TRP 18 1.040 27.723 46.613 15.559 -99.200 -91.000 TRP6 18 1.020 26.612 44.654 14.749 -99.200 -91.000 TRP 27 1.040 16.228 44.334 23.132 -99.200 -91.000 TRP6 27 1.020 16.779 45.623 25.053 -99.200 -91.000 HIS 38 0.900 16.846 38.823 3.700 -99.200 -91.000 PHE 43 1.000 26.599 44.037 8.506 -99.200 -91.000 TYR 59 0.840 14.005 47.512 -1.954 -99.200 -91.000 HIS 62 0.900 6.001 49.759 -0.282 -99.200 -91.000 TYR 67 0.840 16.886 47.526 10.963 -99.200 -91.000 TYR 68 0.840 23.020 45.704 15.333 -99.200 -91.000 HIS 72 0.900 37.235 53.477 17.848 -99.200 -91.000 PHE 75 1.000 39.234 55.867 13.592 -99.200 -91.000 TYR 113 0.840 19.070 58.688 10.336 -99.200 -91.000 TYR 118 0.840 17.138 59.667 6.046 -99.200 -91.000 HIS 120 0.900 11.309 64.649 12.446 -99.200 -91.000