============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 3 0.840 18.878 25.346 33.875 -99.200 -91.000 TRP 7 1.040 25.490 23.227 21.129 -99.200 -91.000 TRP6 7 1.020 23.473 23.204 19.902 -99.200 -91.000 HIS 13 0.900 18.723 18.282 30.239 -99.200 -91.000 TRP 27 1.040 6.276 7.525 19.385 -99.200 -91.000 TRP6 27 1.020 4.388 8.516 20.408 -99.200 -91.000 HIS 52 0.900 10.471 14.916 6.542 -99.200 -91.000 PHE 63 1.000 2.118 12.521 12.215 -99.200 -91.000 TYR 81 0.840 -0.265 19.535 14.401 -99.200 -91.000 HIS 85 0.900 2.986 11.679 24.362 -99.200 -91.000 PHE 86 1.000 3.279 20.866 23.560 -99.200 -91.000 PHE 90 1.000 15.772 22.601 29.506 -99.200 -91.000 TYR 102 0.840 7.867 18.114 33.280 -99.200 -91.000 TRP 111 1.040 17.910 35.148 30.700 -99.200 -91.000 TRP6 111 1.020 19.571 36.806 30.957 -99.200 -91.000 TRP 116 1.040 18.551 27.648 20.201 -99.200 -91.000 TRP6 116 1.020 17.746 25.573 21.004 -99.200 -91.000 PHE 122 1.000 40.165 36.451 26.277 -99.200 -91.000