============================================================================= 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 8.702 7.170 18.314 -99.200 -91.000 TRP6 14 1.020 7.496 9.078 18.998 -99.200 -91.000 PHE 19 1.000 12.840 -4.514 2.831 -99.200 -91.000 TRP 37 1.040 23.325 11.032 13.936 -99.200 -91.000 TRP6 37 1.020 25.118 9.518 13.904 -99.200 -91.000 HIS 43 0.900 19.463 -7.986 19.141 -99.200 -91.000 TYR 47 0.840 24.347 -13.510 18.870 -99.200 -91.000 TRP 49 1.040 22.593 -17.365 16.492 -99.200 -91.000 TRP6 49 1.020 20.482 -16.419 16.933 -99.200 -91.000 PHE 53 1.000 22.526 -8.455 8.267 -99.200 -91.000 HIS 65 0.900 -0.739 1.454 10.207 -99.200 -91.000 TYR 70 0.840 7.273 2.634 -2.151 -99.200 -91.000 TYR 84 0.840 29.385 5.890 13.478 -99.200 -91.000 HIS 86 0.900 29.250 0.758 24.254 -99.200 -91.000 TYR 89 0.840 26.714 -6.643 20.738 -99.200 -91.000 TRP 91 1.040 30.356 -10.179 20.117 -99.200 -91.000 TRP6 91 1.020 31.381 -12.274 19.753 -99.200 -91.000 PHE 110 1.000 12.434 15.423 11.570 -99.200 -91.000 TYR 113 0.840 1.435 10.075 7.330 -99.200 -91.000 HIS 115 0.900 8.176 15.198 15.234 -99.200 -91.000 TYR 132 0.840 6.185 5.417 37.460 -99.200 -91.000 TRP 139 1.040 5.626 -2.992 10.753 -99.200 -91.000 TRP6 139 1.020 7.118 -1.176 10.978 -99.200 -91.000 PHE 177 1.000 14.054 -0.836 30.519 -99.200 -91.000 TYR 181 0.840 0.710 -6.413 31.839 -99.200 -91.000 PHE 200 1.000 9.584 -0.038 28.032 -99.200 -91.000 PHE 206 1.000 7.208 14.635 36.135 -99.200 -91.000 TRP 210 1.040 4.654 9.931 23.124 -99.200 -91.000 TRP6 210 1.020 3.849 7.937 24.089 -99.200 -91.000 TYR 211 0.840 11.737 12.571 27.410 -99.200 -91.000 TRP 218 1.040 18.831 -10.007 27.029 -99.200 -91.000 TRP6 218 1.020 18.290 -11.718 28.573 -99.200 -91.000 TYR 228 0.840 8.881 -11.045 34.211 -99.200 -91.000 PHE 230 1.000 15.914 -9.565 31.255 -99.200 -91.000 TYR 231 0.840 12.031 -4.121 26.684 -99.200 -91.000 HIS 233 0.900 18.835 2.556 32.250 -99.200 -91.000 PHE 235 1.000 20.940 8.983 32.181 -99.200 -91.000 TRP 240 1.040 29.105 4.415 22.094 -99.200 -91.000 TRP6 240 1.020 27.259 3.830 20.742 -99.200 -91.000 PHE 248 1.000 32.735 8.940 14.322 -99.200 -91.000