============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 -3.593 39.973 43.119 -99.200 -91.000 TRP6 12 1.020 -4.569 40.152 45.296 -99.200 -91.000 TYR 20 0.840 1.156 20.817 29.188 -99.200 -91.000 TRP 26 1.040 8.857 25.439 28.321 -99.200 -91.000 TRP6 26 1.020 8.997 23.721 29.960 -99.200 -91.000 HIS 28 0.900 -1.476 28.960 33.311 -99.200 -91.000 TRP 39 1.040 10.362 23.814 49.586 -99.200 -91.000 TRP6 39 1.020 9.697 21.579 49.034 -99.200 -91.000 HIS 45 0.900 -6.739 19.762 40.226 -99.200 -91.000 PHE 53 1.000 3.908 19.311 35.747 -99.200 -91.000 HIS 60 0.900 -0.085 41.738 34.517 -99.200 -91.000 TYR 71 0.840 10.635 32.458 31.601 -99.200 -91.000 HIS 80 0.900 -2.291 14.816 52.318 -99.200 -91.000 TYR 82 0.840 -4.547 9.498 54.585 -99.200 -91.000 TRP 83 1.040 -4.428 13.532 44.317 -99.200 -91.000 TRP6 83 1.020 -6.449 14.780 44.132 -99.200 -91.000 TYR 91 0.840 -7.023 13.936 52.743 -99.200 -91.000 TYR 107 0.840 7.699 43.953 38.993 -99.200 -91.000 TYR 127 0.840 -10.154 41.272 45.573 -99.200 -91.000 TRP 131 1.040 -1.846 34.585 33.636 -99.200 -91.000 TRP6 131 1.020 -0.518 34.036 35.544 -99.200 -91.000 TYR 148 0.840 -15.378 41.101 47.248 -99.200 -91.000 TYR 154 0.840 -18.886 21.723 56.375 -99.200 -91.000 TYR 161 0.840 -25.392 27.840 48.718 -99.200 -91.000 TRP 162 1.040 -20.242 23.250 45.703 -99.200 -91.000 TRP6 162 1.020 -19.593 21.890 43.855 -99.200 -91.000 HIS 191 0.900 -3.995 36.071 46.339 -99.200 -91.000 TYR 198 0.840 -6.024 41.188 50.256 -99.200 -91.000 HIS 201 0.900 -7.200 32.380 55.309 -99.200 -91.000 PHE 206 1.000 -14.717 20.362 44.443 -99.200 -91.000 PHE 221 1.000 -11.191 28.850 46.012 -99.200 -91.000 TYR 227 0.840 -4.727 19.754 53.642 -99.200 -91.000 TRP 230 1.040 1.572 16.766 53.961 -99.200 -91.000 TRP6 230 1.020 1.596 17.944 51.857 -99.200 -91.000