============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 7 0.840 6.525 110.290 7.899 -99.200 -91.000 HIS 8 0.900 11.615 103.461 4.395 -99.200 -91.000 HIS 28 0.900 15.272 101.245 8.499 -99.200 -91.000 HIS 37 0.900 24.789 79.030 25.859 -99.200 -91.000 TRP 60 1.040 45.885 69.073 38.913 -99.200 -91.000 TRP6 60 1.020 45.926 71.438 38.818 -99.200 -91.000 TRP 76 1.040 45.736 75.773 33.647 -99.200 -91.000 TRP6 76 1.020 47.534 74.628 34.662 -99.200 -91.000 TYR 78 0.840 38.280 77.530 30.284 -99.200 -91.000 TYR 91 0.840 44.155 59.309 57.059 -99.200 -91.000 PHE 95 1.000 44.862 71.412 50.584 -99.200 -91.000 TYR 98 0.840 40.703 73.341 48.675 -99.200 -91.000 PHE 111 1.000 51.378 72.277 37.310 -99.200 -91.000 PHE 114 1.000 60.980 70.552 41.558 -99.200 -91.000 PHE 117 1.000 62.695 67.432 50.020 -99.200 -91.000 TRP 123 1.040 62.556 60.823 51.901 -99.200 -91.000 TRP6 123 1.020 62.678 62.468 53.599 -99.200 -91.000 HIS 126 0.900 63.685 58.803 59.171 -99.200 -91.000 TYR 137 0.840 45.313 52.508 40.888 -99.200 -91.000 PHE 143 1.000 49.425 59.018 51.788 -99.200 -91.000 TYR 144 0.840 46.594 62.079 49.455 -99.200 -91.000 TRP 149 1.040 52.234 57.709 56.573 -99.200 -91.000 TRP6 149 1.020 49.999 56.946 56.722 -99.200 -91.000 TYR 157 0.840 60.291 58.945 62.033 -99.200 -91.000 TYR 164 0.840 63.954 72.716 45.971 -99.200 -91.000 TRP 176 1.040 53.940 70.381 55.343 -99.200 -91.000 TRP6 176 1.020 54.304 72.594 54.608 -99.200 -91.000 HIS 179 0.900 48.500 59.452 60.749 -99.200 -91.000 HIS 180 0.900 47.457 65.936 63.890 -99.200 -91.000 TYR 191 0.840 54.305 58.523 62.300 -99.200 -91.000 TYR 197 0.840 60.630 68.458 66.651 -99.200 -91.000 TYR 205 0.840 55.194 77.770 56.696 -99.200 -91.000 PHE 209 1.000 52.536 72.346 61.106 -99.200 -91.000 TYR 228 0.840 45.806 66.149 53.361 -99.200 -91.000 TYR 229 0.840 49.395 72.036 57.923 -99.200 -91.000 TRP 230 1.040 48.481 76.207 50.734 -99.200 -91.000 TRP6 230 1.020 49.020 78.379 49.960 -99.200 -91.000 PHE 241 1.000 58.957 70.192 54.343 -99.200 -91.000 TRP 251 1.040 58.243 61.077 45.413 -99.200 -91.000 TRP6 251 1.020 56.980 59.099 44.982 -99.200 -91.000 TYR 252 0.840 56.974 63.080 41.980 -99.200 -91.000 PHE 254 1.000 52.523 70.343 41.655 -99.200 -91.000 HIS 272 0.900 32.075 69.343 21.776 -99.200 -91.000 HIS 282 0.900 24.591 78.683 32.062 -99.200 -91.000 PHE 291 1.000 24.880 96.975 27.790 -99.200 -91.000 HIS 295 0.900 27.373 81.989 34.693 -99.200 -91.000 TYR 305 0.840 24.726 88.462 34.120 -99.200 -91.000