============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 8 1.000 -2.797 9.393 17.909 -99.200 -91.000 TYR 24 0.840 3.242 6.428 33.646 -99.200 -91.000 TRP 39 1.040 8.206 6.222 18.548 -99.200 -91.000 TRP6 39 1.020 6.940 8.064 19.306 -99.200 -91.000 PHE 44 1.000 12.786 -5.330 2.938 -99.200 -91.000 TRP 62 1.040 22.927 10.289 14.220 -99.200 -91.000 TRP6 62 1.020 24.738 8.773 14.204 -99.200 -91.000 HIS 68 0.900 19.019 -9.089 19.543 -99.200 -91.000 TYR 72 0.840 23.493 -14.169 19.028 -99.200 -91.000 TRP 74 1.040 21.807 -17.912 16.469 -99.200 -91.000 TRP6 74 1.020 19.911 -16.644 17.108 -99.200 -91.000 PHE 78 1.000 21.956 -9.386 8.539 -99.200 -91.000 HIS 90 0.900 -1.112 0.744 10.278 -99.200 -91.000 TYR 95 0.840 7.316 1.743 -2.005 -99.200 -91.000 TYR 109 0.840 29.545 5.041 14.066 -99.200 -91.000 HIS 111 0.900 28.903 -0.218 24.698 -99.200 -91.000 TYR 114 0.840 26.408 -7.470 20.936 -99.200 -91.000 TRP 116 1.040 29.860 -11.139 20.316 -99.200 -91.000 TRP6 116 1.020 30.859 -13.280 20.045 -99.200 -91.000 PHE 135 1.000 12.175 14.789 11.720 -99.200 -91.000 TYR 138 0.840 0.968 9.318 7.719 -99.200 -91.000 HIS 140 0.900 7.818 14.635 15.539 -99.200 -91.000 TYR 157 0.840 5.257 4.424 38.106 -99.200 -91.000 TRP 164 1.040 5.262 -3.839 11.102 -99.200 -91.000 TRP6 164 1.020 6.821 -2.060 11.232 -99.200 -91.000 PHE 201 1.000 13.313 -1.652 30.908 -99.200 -91.000 TYR 205 0.840 0.039 -7.180 32.205 -99.200 -91.000 PHE 224 1.000 8.992 -0.647 28.346 -99.200 -91.000 PHE 230 1.000 6.770 14.059 36.117 -99.200 -91.000 TRP 234 1.040 3.970 9.281 23.492 -99.200 -91.000 TRP6 234 1.020 3.075 7.327 24.496 -99.200 -91.000 TYR 235 0.840 11.136 12.042 27.726 -99.200 -91.000 TRP 242 1.040 17.967 -10.888 27.126 -99.200 -91.000 TRP6 242 1.020 17.357 -12.553 28.713 -99.200 -91.000 TYR 252 0.840 8.166 -11.832 34.756 -99.200 -91.000 PHE 254 1.000 15.113 -10.421 31.630 -99.200 -91.000 TYR 255 0.840 11.447 -4.844 27.026 -99.200 -91.000 HIS 257 0.900 18.257 1.672 32.560 -99.200 -91.000 PHE 259 1.000 20.210 8.284 32.668 -99.200 -91.000 TRP 264 1.040 28.768 3.789 22.654 -99.200 -91.000 TRP6 264 1.020 27.033 3.048 21.208 -99.200 -91.000 PHE 272 1.000 32.376 8.485 15.172 -99.200 -91.000