============================================================================= 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. TRP 8 1.040 33.320 32.392 13.455 -99.200 -91.000 TRP6 8 1.020 35.426 33.440 13.322 -99.200 -91.000 PHE 27 1.000 26.852 38.286 9.650 -99.200 -91.000 TYR 31 0.840 26.027 33.161 20.136 -99.200 -91.000 HIS 52 0.900 31.153 48.393 7.147 -99.200 -91.000 PHE 60 1.000 31.791 41.149 13.599 -99.200 -91.000 PHE 62 1.000 26.804 38.090 15.896 -99.200 -91.000 HIS 65 0.900 13.757 35.350 18.325 -99.200 -91.000 TRP 66 1.040 19.508 35.640 23.431 -99.200 -91.000 TRP6 66 1.020 21.362 34.280 22.880 -99.200 -91.000 PHE 68 1.000 17.868 30.517 25.638 -99.200 -91.000 PHE 75 1.000 27.270 38.458 20.769 -99.200 -91.000 PHE 80 1.000 41.175 43.847 14.890 -99.200 -91.000 TRP 93 1.040 28.521 40.326 25.305 -99.200 -91.000 TRP6 93 1.020 27.192 40.542 27.249 -99.200 -91.000 TYR 104 0.840 9.397 47.690 36.874 -99.200 -91.000 TRP 106 1.040 15.997 51.199 36.713 -99.200 -91.000 TRP6 106 1.020 17.652 50.148 38.027 -99.200 -91.000 TYR 113 0.840 35.786 39.928 27.721 -99.200 -91.000 PHE 116 1.000 32.016 35.264 19.273 -99.200 -91.000