============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 8 0.840 25.718 28.376 33.596 -99.200 -91.000 HIS 49 0.900 18.564 44.830 43.608 -99.200 -91.000 TYR 60 0.840 10.857 28.914 55.979 -99.200 -91.000 HIS 69 0.900 13.880 45.391 42.319 -99.200 -91.000 HIS 75 0.900 14.934 48.027 38.633 -99.200 -91.000 TYR 76 0.840 9.785 42.097 35.373 -99.200 -91.000 TRP 79 1.040 13.722 33.484 39.272 -99.200 -91.000 TRP6 79 1.020 14.650 34.065 37.176 -99.200 -91.000 TYR 89 0.840 8.304 23.694 46.864 -99.200 -91.000 PHE 92 1.000 9.131 31.346 36.492 -99.200 -91.000 PHE 103 1.000 8.415 30.316 47.565 -99.200 -91.000 TYR 115 0.840 17.959 37.278 36.759 -99.200 -91.000 HIS 119 0.900 19.728 46.898 39.654 -99.200 -91.000 HIS 121 0.900 20.564 33.564 40.963 -99.200 -91.000 TRP 122 1.040 20.786 40.592 43.782 -99.200 -91.000 TRP6 122 1.020 22.442 41.781 44.976 -99.200 -91.000