============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 4 1.040 8.863 -26.653 44.590 -99.200 -91.000 TRP6 4 1.020 7.025 -26.480 43.117 -99.200 -91.000 PHE 22 1.000 17.192 -44.052 32.593 -99.200 -91.000 TRP 26 1.040 2.213 -45.969 38.229 -99.200 -91.000 TRP6 26 1.020 0.577 -47.589 38.744 -99.200 -91.000 TRP 30 1.040 -0.869 -33.625 46.466 -99.200 -91.000 TRP6 30 1.020 -0.467 -31.446 45.634 -99.200 -91.000 PHE 51 1.000 13.124 -39.848 38.608 -99.200 -91.000 HIS 63 0.900 4.528 -20.105 28.926 -99.200 -91.000 TYR 70 0.840 -0.324 -29.759 39.873 -99.200 -91.000 TYR 79 0.840 6.541 -42.149 44.542 -99.200 -91.000 TYR 84 0.840 -4.382 -37.179 33.645 -99.200 -91.000 PHE 93 1.000 -4.593 -35.574 19.855 -99.200 -91.000 TYR 101 0.840 -11.381 -38.000 12.007 -99.200 -91.000 TYR 120 0.840 8.796 -19.447 31.422 -99.200 -91.000 TYR 126 0.840 16.503 -23.004 33.455 -99.200 -91.000 HIS 128 0.900 12.922 -30.526 26.531 -99.200 -91.000 PHE 149 1.000 10.558 -28.998 30.997 -99.200 -91.000 PHE 157 1.000 22.272 -35.512 25.250 -99.200 -91.000 TRP 161 1.040 12.882 -35.735 17.077 -99.200 -91.000 TRP6 161 1.020 12.772 -38.084 16.719 -99.200 -91.000 TYR 169 0.840 31.988 -30.959 16.675 -99.200 -91.000 PHE 172 1.000 23.210 -31.489 23.698 -99.200 -91.000 TRP 179 1.040 18.674 -29.948 13.950 -99.200 -91.000 TRP6 179 1.020 20.066 -29.232 12.186 -99.200 -91.000 PHE 181 1.000 8.921 -25.384 16.887 -99.200 -91.000 TYR 196 0.840 16.888 -36.590 9.126 -99.200 -91.000 TYR 212 0.840 18.597 -35.731 3.069 -99.200 -91.000 HIS 225 0.900 11.274 -28.041 3.033 -99.200 -91.000 TRP 232 1.040 15.772 -28.832 10.511 -99.200 -91.000 TRP6 232 1.020 14.343 -29.657 8.806 -99.200 -91.000 PHE 242 1.000 12.541 -22.722 20.474 -99.200 -91.000 TYR 244 0.840 10.777 -15.553 12.380 -99.200 -91.000 PHE 248 1.000 6.380 -18.391 9.554 -99.200 -91.000 TYR 252 0.840 1.717 -20.977 7.880 -99.200 -91.000 PHE 253 1.000 -3.221 -21.744 8.750 -99.200 -91.000 TYR 260 0.840 -4.882 -24.548 4.816 -99.200 -91.000