============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. HIS 3 0.900 37.175 21.561 27.959 -99.200 -91.000 PHE 14 1.000 52.529 42.744 24.226 -99.200 -91.000 PHE 39 1.000 51.881 34.870 30.782 -99.200 -91.000 TYR 40 0.840 53.868 27.320 32.431 -99.200 -91.000 TYR 44 0.840 40.987 24.285 26.346 -99.200 -91.000 PHE 51 1.000 32.828 29.953 39.112 -99.200 -91.000 PHE 54 1.000 35.843 29.079 43.140 -99.200 -91.000 TYR 60 0.840 33.098 32.939 45.280 -99.200 -91.000 PHE 67 1.000 26.247 42.671 44.293 -99.200 -91.000 PHE 71 1.000 23.290 45.106 34.083 -99.200 -91.000 PHE 73 1.000 21.676 40.366 23.159 -99.200 -91.000 TRP 82 1.040 22.588 45.820 23.880 -99.200 -91.000 TRP6 82 1.020 22.704 47.701 22.464 -99.200 -91.000 TRP 83 1.040 24.300 44.690 27.859 -99.200 -91.000 TRP6 83 1.020 24.831 42.428 28.260 -99.200 -91.000 TRP 91 1.040 27.929 29.774 39.197 -99.200 -91.000 TRP6 91 1.020 28.444 27.522 38.701 -99.200 -91.000 HIS 93 0.900 19.740 28.506 37.840 -99.200 -91.000 HIS 103 0.900 21.643 23.880 27.863 -99.200 -91.000 HIS 107 0.900 28.410 26.238 25.323 -99.200 -91.000 HIS 111 0.900 24.969 36.019 34.079 -99.200 -91.000 TRP 114 1.040 39.162 41.908 38.648 -99.200 -91.000 TRP6 114 1.020 40.145 42.086 40.784 -99.200 -91.000 TYR 120 0.840 38.471 28.489 38.434 -99.200 -91.000 TRP 123 1.040 39.639 25.935 44.734 -99.200 -91.000 TRP6 123 1.020 39.265 24.783 42.720 -99.200 -91.000 TRP 134 1.040 43.186 38.322 27.897 -99.200 -91.000 TRP6 134 1.020 42.696 39.166 25.766 -99.200 -91.000 TYR 136 0.840 54.027 37.952 24.763 -99.200 -91.000 HIS 143 0.900 54.909 44.391 15.453 -99.200 -91.000 PHE 147 1.000 40.342 40.539 13.407 -99.200 -91.000 TRP 149 1.040 42.200 35.354 12.756 -99.200 -91.000 TRP6 149 1.020 40.745 35.392 14.605 -99.200 -91.000 HIS 159 0.900 32.248 32.818 10.662 -99.200 -91.000 TYR 160 0.840 41.118 30.830 11.895 -99.200 -91.000 TRP 164 1.040 25.038 40.007 16.039 -99.200 -91.000 TRP6 164 1.020 23.609 39.613 17.869 -99.200 -91.000 PHE 168 1.000 24.307 43.955 19.628 -99.200 -91.000 PHE 178 1.000 29.466 27.074 18.591 -99.200 -91.000 PHE 187 1.000 34.352 29.320 16.596 -99.200 -91.000 TYR 192 0.840 52.226 33.254 22.077 -99.200 -91.000 TYR 195 0.840 41.909 25.514 21.568 -99.200 -91.000 TRP 202 1.040 33.271 41.525 26.542 -99.200 -91.000 TRP6 202 1.020 34.972 43.044 25.976 -99.200 -91.000 TRP 204 1.040 35.871 39.744 35.115 -99.200 -91.000 TRP6 204 1.020 35.466 42.053 35.422 -99.200 -91.000 TRP 208 1.040 42.967 49.186 40.365 -99.200 -91.000 TRP6 208 1.020 40.705 48.933 40.971 -99.200 -91.000 TRP 209 1.040 39.168 52.058 31.802 -99.200 -91.000 TRP6 209 1.020 39.209 51.037 29.680 -99.200 -91.000 HIS 212 0.900 44.421 59.891 30.140 -99.200 -91.000 HIS 213 0.900 46.867 52.749 28.133 -99.200 -91.000 TYR 237 0.840 27.059 35.508 23.806 -99.200 -91.000 HIS 240 0.900 28.397 43.153 13.133 -99.200 -91.000 TYR 243 0.840 27.355 45.869 19.508 -99.200 -91.000 TYR 245 0.840 36.875 46.371 14.598 -99.200 -91.000 TYR 247 0.840 35.397 41.464 15.883 -99.200 -91.000 PHE 266 1.000 37.292 33.180 35.751 -99.200 -91.000