============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 4 1.000 38.382 2.912 17.042 -99.200 -91.000 TYR 18 0.840 43.870 20.246 15.356 -99.200 -91.000 TYR 24 0.840 34.221 25.655 11.419 -99.200 -91.000 TYR 25 0.840 39.699 28.472 18.005 -99.200 -91.000 HIS 31 0.900 35.723 16.136 20.519 -99.200 -91.000 PHE 67 1.000 40.120 8.057 16.679 -99.200 -91.000 TYR 88 0.840 27.491 0.661 8.998 -99.200 -91.000 HIS 96 0.900 29.414 -2.067 7.417 -99.200 -91.000 PHE 104 1.000 36.056 11.325 13.631 -99.200 -91.000 PHE 114 1.000 28.307 14.058 -0.104 -99.200 -91.000 TRP 126 1.040 31.181 -1.632 -5.878 -99.200 -91.000 TRP6 126 1.020 30.026 -1.036 -3.890 -99.200 -91.000 TRP 138 1.040 34.621 14.888 1.481 -99.200 -91.000 TRP6 138 1.020 34.375 12.850 0.330 -99.200 -91.000 TYR 139 0.840 37.927 15.061 -5.947 -99.200 -91.000 PHE 153 1.000 32.075 5.110 0.376 -99.200 -91.000 TRP 158 1.040 41.376 -1.954 4.936 -99.200 -91.000 TRP6 158 1.020 40.285 -0.070 5.867 -99.200 -91.000 TYR 161 0.840 42.751 5.339 4.236 -99.200 -91.000