============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. HIS 85 0.900 61.851 19.661 14.572 -99.200 -91.000 TRP 88 1.040 62.184 11.750 10.231 -99.200 -91.000 TRP6 88 1.020 63.247 10.289 8.700 -99.200 -91.000 TRP 100 1.040 43.751 2.984 16.418 -99.200 -91.000 TRP6 100 1.020 43.142 3.789 18.556 -99.200 -91.000 TRP 106 1.040 38.842 9.183 12.979 -99.200 -91.000 TRP6 106 1.020 37.730 11.202 13.509 -99.200 -91.000 PHE 107 1.000 33.193 10.592 16.689 -99.200 -91.000 PHE 108 1.000 32.938 5.898 17.717 -99.200 -91.000 PHE 111 1.000 39.356 -0.597 16.863 -99.200 -91.000