============================================================================= 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 15 1.040 16.110 9.616 34.814 -99.200 -91.000 TRP6 15 1.020 16.560 11.692 35.879 -99.200 -91.000 PHE 21 1.000 19.074 13.049 19.873 -99.200 -91.000 TYR 22 0.840 27.903 10.270 19.440 -99.200 -91.000 TRP 29 1.040 22.246 18.397 21.333 -99.200 -91.000 TRP6 29 1.020 24.127 18.413 19.921 -99.200 -91.000 PHE 32 1.000 18.332 14.462 30.341 -99.200 -91.000 PHE 41 1.000 5.557 17.650 43.836 -99.200 -91.000 TRP 42 1.040 4.225 12.494 42.566 -99.200 -91.000 TRP6 42 1.020 2.638 13.463 44.038 -99.200 -91.000 HIS 44 0.900 13.788 15.953 46.266 -99.200 -91.000 TYR 72 0.840 22.939 11.163 48.058 -99.200 -91.000 PHE 74 1.000 27.561 8.544 44.107 -99.200 -91.000 TYR 100 0.840 19.663 0.926 39.514 -99.200 -91.000 PHE 125 1.000 13.509 -13.010 28.279 -99.200 -91.000 TYR 126 0.840 19.956 -10.038 28.000 -99.200 -91.000 PHE 134 1.000 3.324 -4.066 33.223 -99.200 -91.000 PHE 144 1.000 13.198 8.937 38.578 -99.200 -91.000 PHE 147 1.000 11.585 2.221 40.262 -99.200 -91.000 PHE 159 1.000 -4.145 15.844 40.855 -99.200 -91.000