============================================================================= 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 13.872 39.883 52.669 -99.200 -91.000 TRP6 14 1.020 15.048 41.809 52.003 -99.200 -91.000 PHE 19 1.000 9.942 28.064 68.007 -99.200 -91.000 TRP 37 1.040 -0.661 43.752 57.140 -99.200 -91.000 TRP6 37 1.020 -2.439 42.219 57.241 -99.200 -91.000 HIS 43 0.900 3.025 24.430 51.682 -99.200 -91.000 TYR 47 0.840 -1.517 19.378 52.208 -99.200 -91.000 TRP 49 1.040 0.492 15.696 54.786 -99.200 -91.000 TRP6 49 1.020 2.320 17.140 54.309 -99.200 -91.000 PHE 53 1.000 -0.002 24.512 62.611 -99.200 -91.000 HIS 65 0.900 23.418 34.077 60.895 -99.200 -91.000 TYR 70 0.840 15.306 35.057 72.965 -99.200 -91.000 TYR 84 0.840 -6.688 38.618 57.576 -99.200 -91.000 HIS 86 0.900 -6.476 33.736 46.627 -99.200 -91.000 TYR 89 0.840 -4.151 26.223 50.266 -99.200 -91.000 TRP 91 1.040 -7.720 22.588 50.945 -99.200 -91.000 TRP6 91 1.020 -8.671 20.440 51.290 -99.200 -91.000 PHE 110 1.000 10.104 48.057 59.551 -99.200 -91.000 TYR 113 0.840 21.219 42.759 63.594 -99.200 -91.000 HIS 115 0.900 14.359 47.932 55.857 -99.200 -91.000 TYR 132 0.840 16.205 38.303 33.350 -99.200 -91.000 TRP 139 1.040 16.941 29.547 60.040 -99.200 -91.000 TRP6 139 1.020 15.427 31.357 59.853 -99.200 -91.000 PHE 177 1.000 8.442 32.071 40.415 -99.200 -91.000 TYR 181 0.840 21.819 26.559 38.941 -99.200 -91.000 PHE 200 1.000 12.912 32.856 42.842 -99.200 -91.000 PHE 206 1.000 15.285 47.578 34.878 -99.200 -91.000 TRP 210 1.040 17.875 42.761 47.841 -99.200 -91.000 TRP6 210 1.020 18.681 40.766 46.867 -99.200 -91.000 TYR 211 0.840 10.784 45.401 43.582 -99.200 -91.000 TRP 218 1.040 3.908 22.676 43.973 -99.200 -91.000 TRP6 218 1.020 4.473 21.150 42.294 -99.200 -91.000 TYR 228 0.840 13.620 21.881 36.546 -99.200 -91.000 PHE 230 1.000 6.796 23.140 39.640 -99.200 -91.000 TYR 231 0.840 10.539 28.681 44.212 -99.200 -91.000 HIS 233 0.900 3.712 35.381 38.673 -99.200 -91.000 PHE 235 1.000 1.512 41.871 38.947 -99.200 -91.000 TRP 240 1.040 -6.490 37.217 49.139 -99.200 -91.000 TRP6 240 1.020 -4.586 36.607 50.417 -99.200 -91.000 PHE 248 1.000 -10.192 41.964 56.969 -99.200 -91.000