============================================================================= 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 7.954 7.231 18.333 -99.200 -91.000 TRP6 14 1.020 6.635 9.059 19.046 -99.200 -91.000 PHE 19 1.000 12.573 -4.232 3.001 -99.200 -91.000 TRP 37 1.040 22.505 11.320 14.074 -99.200 -91.000 TRP6 37 1.020 24.300 9.788 14.017 -99.200 -91.000 HIS 43 0.900 18.897 -7.671 19.164 -99.200 -91.000 TYR 47 0.840 23.245 -12.892 18.673 -99.200 -91.000 TRP 49 1.040 21.304 -16.485 16.095 -99.200 -91.000 TRP6 49 1.020 19.439 -15.224 16.783 -99.200 -91.000 PHE 53 1.000 22.001 -7.682 8.281 -99.200 -91.000 HIS 65 0.900 -0.867 1.559 10.026 -99.200 -91.000 TYR 70 0.840 7.273 2.839 -2.091 -99.200 -91.000 TYR 84 0.840 28.742 6.417 13.971 -99.200 -91.000 HIS 86 0.900 27.980 1.022 24.560 -99.200 -91.000 TYR 89 0.840 25.868 -6.225 20.628 -99.200 -91.000 TRP 91 1.040 29.471 -9.654 19.918 -99.200 -91.000 TRP6 91 1.020 30.506 -11.772 19.678 -99.200 -91.000 PHE 110 1.000 11.727 15.631 11.689 -99.200 -91.000 TYR 113 0.840 0.869 10.170 7.338 -99.200 -91.000 HIS 115 0.900 7.453 15.331 15.199 -99.200 -91.000 TYR 132 0.840 5.334 5.423 37.425 -99.200 -91.000 TRP 139 1.040 5.511 -2.755 10.700 -99.200 -91.000 TRP6 139 1.020 6.992 -0.947 11.032 -99.200 -91.000 PHE 177 1.000 13.041 -0.688 30.344 -99.200 -91.000 TYR 181 0.840 0.039 -6.153 31.649 -99.200 -91.000 PHE 200 1.000 8.817 0.181 27.937 -99.200 -91.000 PHE 206 1.000 6.589 14.463 35.831 -99.200 -91.000 TRP 210 1.040 3.793 9.933 22.935 -99.200 -91.000 TRP6 210 1.020 3.029 7.916 23.913 -99.200 -91.000 TYR 211 0.840 10.946 12.686 27.293 -99.200 -91.000 TRP 218 1.040 17.977 -9.701 26.858 -99.200 -91.000 TRP6 218 1.020 17.470 -11.214 28.592 -99.200 -91.000 TYR 228 0.840 7.991 -10.616 34.077 -99.200 -91.000 PHE 230 1.000 14.895 -9.343 31.073 -99.200 -91.000 TYR 231 0.840 11.190 -3.964 26.305 -99.200 -91.000 HIS 233 0.900 17.883 2.652 32.106 -99.200 -91.000 PHE 235 1.000 19.829 8.988 32.241 -99.200 -91.000 TRP 240 1.040 28.268 4.687 22.296 -99.200 -91.000 TRP6 240 1.020 26.544 4.063 20.805 -99.200 -91.000 PHE 248 1.000 31.975 9.176 14.829 -99.200 -91.000