============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 14 1.040 35.502 45.160 52.510 -99.200 -91.000 TRP6 14 1.020 37.661 45.477 53.438 -99.200 -91.000 PHE 19 1.000 17.155 42.042 56.018 -99.200 -91.000 TRP 37 1.040 28.391 58.543 48.562 -99.200 -91.000 TRP6 37 1.020 26.802 58.911 46.858 -99.200 -91.000 HIS 43 0.900 22.269 41.525 39.660 -99.200 -91.000 TYR 47 0.840 16.858 40.526 35.684 -99.200 -91.000 TRP 49 1.040 13.582 37.383 37.678 -99.200 -91.000 TRP6 49 1.020 15.351 36.796 39.115 -99.200 -91.000 PHE 53 1.000 13.394 45.340 45.373 -99.200 -91.000 HIS 65 0.900 30.874 35.954 61.633 -99.200 -91.000 TYR 70 0.840 19.763 44.827 65.968 -99.200 -91.000 TYR 84 0.840 22.745 59.205 42.764 -99.200 -91.000 HIS 86 0.900 26.736 53.313 33.474 -99.200 -91.000 TYR 89 0.840 20.934 47.051 34.870 -99.200 -91.000 TRP 91 1.040 16.605 45.991 31.786 -99.200 -91.000 TRP6 91 1.020 14.981 44.656 30.703 -99.200 -91.000 TYR 113 0.840 33.367 44.106 65.455 -99.200 -91.000 HIS 115 0.900 38.402 51.319 58.021 -99.200 -91.000 HIS 129 0.900 48.491 41.720 35.475 -99.200 -91.000 PHE 132 1.000 48.861 38.631 39.681 -99.200 -91.000 TRP 139 1.040 25.740 36.512 55.540 -99.200 -91.000 TRP6 139 1.020 26.272 38.806 55.394 -99.200 -91.000 TRP 146 1.040 16.620 24.718 42.121 -99.200 -91.000 TRP6 146 1.020 16.884 22.455 41.465 -99.200 -91.000 PHE 183 1.000 36.674 41.008 37.580 -99.200 -91.000 TYR 187 0.840 40.349 27.633 42.141 -99.200 -91.000 PHE 206 1.000 37.668 38.966 42.215 -99.200 -91.000 TYR 212 0.840 53.038 46.978 43.959 -99.200 -91.000 TRP 216 1.040 42.217 43.636 52.540 -99.200 -91.000 TRP6 216 1.020 42.134 41.417 51.730 -99.200 -91.000 TYR 217 0.840 43.663 49.534 46.370 -99.200 -91.000 TRP 224 1.040 26.589 37.929 33.955 -99.200 -91.000 TRP6 224 1.020 26.816 36.108 32.449 -99.200 -91.000 TYR 234 0.840 35.867 29.608 33.767 -99.200 -91.000 PHE 236 1.000 31.280 35.857 32.676 -99.200 -91.000 TYR 237 0.840 33.112 37.712 40.293 -99.200 -91.000 HIS 239 0.900 37.680 45.922 34.852 -99.200 -91.000 PHE 241 1.000 41.144 51.513 36.374 -99.200 -91.000 TRP 246 1.040 27.754 56.278 36.490 -99.200 -91.000 TRP6 246 1.020 27.074 54.956 38.331 -99.200 -91.000