============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 24 1.000 50.766 22.310 102.690 -99.200 -91.000 PHE 36 1.000 42.178 28.631 87.642 -99.200 -91.000 TYR 39 0.840 32.559 32.031 87.819 -99.200 -91.000 HIS 53 0.900 23.921 31.634 85.956 -99.200 -91.000 HIS 56 0.900 26.914 34.755 76.211 -99.200 -91.000 TYR 64 0.840 34.801 17.279 73.371 -99.200 -91.000 PHE 70 1.000 33.769 26.252 82.711 -99.200 -91.000 HIS 79 0.900 49.324 36.133 84.010 -99.200 -91.000 TYR 88 0.840 52.902 33.442 97.896 -99.200 -91.000 TYR 96 0.840 45.536 23.300 87.482 -99.200 -91.000 TYR 103 0.840 31.595 19.611 87.431 -99.200 -91.000 HIS 109 0.900 24.697 10.456 80.285 -99.200 -91.000 TRP 119 1.040 39.697 17.682 73.456 -99.200 -91.000 TRP6 119 1.020 38.781 19.444 74.728 -99.200 -91.000 PHE 125 1.000 47.372 18.690 83.025 -99.200 -91.000 TRP 135 1.040 50.915 15.600 96.733 -99.200 -91.000 TRP6 135 1.020 50.441 13.315 97.126 -99.200 -91.000 TYR 161 0.840 35.871 15.917 90.373 -99.200 -91.000 TRP 169 1.040 42.721 12.690 83.733 -99.200 -91.000 TRP6 169 1.020 42.819 15.026 84.091 -99.200 -91.000 TRP 173 1.040 43.834 12.426 90.979 -99.200 -91.000 TRP6 173 1.020 41.929 13.815 91.109 -99.200 -91.000