============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 4 0.900 2.778 0.589 70.730 -99.200 -91.000 PHE 18 1.000 18.104 5.757 57.440 -99.200 -91.000 PHE 22 1.000 23.125 6.447 57.364 -99.200 -91.000 HIS 25 0.900 31.187 3.812 57.815 -99.200 -91.000 HIS 52 0.900 19.539 18.280 52.215 -99.200 -91.000 TRP 62 1.040 20.089 10.092 55.075 -99.200 -91.000 TRP6 62 1.020 17.849 9.719 54.466 -99.200 -91.000 PHE 73 1.000 25.543 8.771 61.961 -99.200 -91.000 PHE 79 1.000 8.577 3.253 70.345 -99.200 -91.000 TRP 89 1.040 21.224 9.759 65.109 -99.200 -91.000 TRP6 89 1.020 22.427 11.789 65.151 -99.200 -91.000 TYR 91 0.840 28.519 12.506 62.477 -99.200 -91.000 TRP 92 1.040 31.385 8.132 68.133 -99.200 -91.000 TRP6 92 1.020 32.694 8.709 69.995 -99.200 -91.000 TYR 115 0.840 14.140 17.748 65.376 -99.200 -91.000