============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 14 1.040 30.148 14.356 45.914 -99.200 -91.000 TRP6 14 1.020 28.279 13.003 45.464 -99.200 -91.000 TYR 18 0.840 26.620 17.838 48.540 -99.200 -91.000 PHE 32 1.000 16.189 2.960 41.698 -99.200 -91.000 PHE 33 1.000 12.122 5.521 43.513 -99.200 -91.000 PHE 36 1.000 15.746 0.003 36.294 -99.200 -91.000 TYR 42 0.840 11.818 -2.207 48.570 -99.200 -91.000 PHE 43 1.000 11.666 4.919 48.722 -99.200 -91.000 PHE 46 1.000 8.598 7.588 46.228 -99.200 -91.000 HIS 48 0.900 -0.314 2.221 45.240 -99.200 -91.000 HIS 64 0.900 16.121 6.824 49.777 -99.200 -91.000 HIS 80 0.900 40.980 11.157 53.619 -99.200 -91.000 HIS 96 0.900 19.000 1.604 52.393 -99.200 -91.000 HIS 100 0.900 15.191 1.648 55.488 -99.200 -91.000 TYR 106 0.840 14.549 -3.230 43.603 -99.200 -91.000 PHE 107 1.000 21.684 -0.293 48.633 -99.200 -91.000 PHE 122 1.000 30.046 16.323 36.225 -99.200 -91.000 PHE 126 1.000 32.122 9.661 32.898 -99.200 -91.000 TRP 134 1.040 32.843 9.056 38.503 -99.200 -91.000 TRP6 134 1.020 31.174 9.552 40.097 -99.200 -91.000 TYR 142 0.840 25.692 -4.979 44.329 -99.200 -91.000 HIS 144 0.900 33.422 -1.622 51.959 -99.200 -91.000 TYR 149 0.840 20.962 -5.740 51.931 -99.200 -91.000 TRP 154 1.040 18.685 -10.391 51.564 -99.200 -91.000 TRP6 154 1.020 16.862 -8.969 52.051 -99.200 -91.000