============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 8 1.000 -3.937 78.190 42.273 -99.200 -91.000 TYR 12 0.840 4.633 72.397 51.524 -99.200 -91.000 PHE 18 1.000 -12.187 76.168 43.109 -99.200 -91.000 PHE 30 1.000 -4.220 80.306 47.470 -99.200 -91.000 TYR 37 0.840 -14.769 68.882 37.814 -99.200 -91.000 TYR 73 0.840 5.826 65.574 37.665 -99.200 -91.000 TYR 74 0.840 12.073 72.666 35.833 -99.200 -91.000 TRP 113 1.040 11.475 79.401 35.736 -99.200 -91.000 TRP6 113 1.020 10.419 77.592 36.841 -99.200 -91.000 TRP 115 1.040 7.127 78.838 43.856 -99.200 -91.000 TRP6 115 1.020 6.863 78.254 41.578 -99.200 -91.000 TRP 130 1.040 16.384 73.065 42.616 -99.200 -91.000 TRP6 130 1.020 14.020 73.037 42.783 -99.200 -91.000 TYR 136 0.840 6.518 61.110 28.005 -99.200 -91.000 HIS 149 0.900 13.868 51.591 43.126 -99.200 -91.000 PHE 152 1.000 21.322 60.457 44.617 -99.200 -91.000 TYR 160 0.840 7.541 75.338 33.655 -99.200 -91.000 TYR 165 0.840 -4.245 73.269 28.909 -99.200 -91.000 TRP 175 1.040 -7.126 83.318 39.226 -99.200 -91.000 TRP6 175 1.020 -8.580 83.898 37.464 -99.200 -91.000