============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 13.602 40.012 52.747 -99.200 -91.000 TRP6 14 1.020 14.841 41.911 52.039 -99.200 -91.000 PHE 19 1.000 9.537 28.328 67.961 -99.200 -91.000 TRP 37 1.040 -0.830 43.925 56.928 -99.200 -91.000 TRP6 37 1.020 -2.617 42.429 56.943 -99.200 -91.000 HIS 43 0.900 2.954 24.586 51.441 -99.200 -91.000 TYR 47 0.840 -1.716 19.317 51.770 -99.200 -91.000 TRP 49 1.040 0.672 15.949 54.175 -99.200 -91.000 TRP6 49 1.020 2.421 17.416 53.554 -99.200 -91.000 PHE 53 1.000 -0.134 24.390 62.398 -99.200 -91.000 HIS 65 0.900 23.069 34.288 60.961 -99.200 -91.000 TYR 70 0.840 14.707 35.473 72.901 -99.200 -91.000 TYR 84 0.840 -6.935 38.725 57.318 -99.200 -91.000 HIS 86 0.900 -6.614 33.735 46.550 -99.200 -91.000 TYR 89 0.840 -4.189 26.242 50.071 -99.200 -91.000 TRP 91 1.040 -7.776 22.598 50.755 -99.200 -91.000 TRP6 91 1.020 -8.634 20.422 51.137 -99.200 -91.000 PHE 110 1.000 9.856 48.315 59.376 -99.200 -91.000 TYR 113 0.840 20.846 42.961 63.620 -99.200 -91.000 HIS 115 0.900 14.138 48.079 55.759 -99.200 -91.000 TYR 132 0.840 16.044 38.318 33.783 -99.200 -91.000 TRP 139 1.040 16.651 29.712 60.192 -99.200 -91.000 TRP6 139 1.020 15.258 31.582 59.936 -99.200 -91.000 PHE 177 1.000 8.342 32.083 40.593 -99.200 -91.000 TYR 181 0.840 21.522 26.513 39.406 -99.200 -91.000 PHE 200 1.000 12.766 32.863 43.055 -99.200 -91.000 PHE 206 1.000 15.087 47.541 34.994 -99.200 -91.000 TRP 210 1.040 17.681 42.881 47.956 -99.200 -91.000 TRP6 210 1.020 18.464 40.864 47.022 -99.200 -91.000 TYR 211 0.840 10.681 45.473 43.601 -99.200 -91.000 TRP 218 1.040 3.313 22.790 43.788 -99.200 -91.000 TRP6 218 1.020 3.964 21.198 42.183 -99.200 -91.000 TYR 228 0.840 13.479 21.810 36.834 -99.200 -91.000 PHE 230 1.000 6.448 23.316 39.831 -99.200 -91.000 TYR 231 0.840 10.353 28.746 44.465 -99.200 -91.000 HIS 233 0.900 3.642 35.441 38.756 -99.200 -91.000 PHE 235 1.000 1.463 41.953 38.931 -99.200 -91.000 TRP 240 1.040 -6.626 37.350 48.776 -99.200 -91.000 TRP6 240 1.020 -4.822 36.756 50.180 -99.200 -91.000 PHE 248 1.000 -10.217 42.076 56.545 -99.200 -91.000