============================================================================= 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. TYR 2 0.840 66.738 32.310 72.661 -99.200 -91.000 TYR 9 0.840 73.021 32.671 61.960 -99.200 -91.000 HIS 10 0.900 77.663 26.037 62.644 -99.200 -91.000 TYR 14 0.840 70.304 31.370 56.488 -99.200 -91.000 TRP 32 1.040 46.792 34.004 59.172 -99.200 -91.000 TRP6 32 1.020 46.601 32.623 57.253 -99.200 -91.000 HIS 33 0.900 46.074 30.867 61.426 -99.200 -91.000 PHE 35 1.000 53.759 32.957 67.264 -99.200 -91.000 PHE 52 1.000 68.166 34.141 66.136 -99.200 -91.000 HIS 58 0.900 60.503 37.021 57.038 -99.200 -91.000 PHE 59 1.000 61.284 35.065 64.479 -99.200 -91.000 TYR 65 0.840 49.147 37.736 60.400 -99.200 -91.000 PHE 76 1.000 58.409 39.600 66.804 -99.200 -91.000 PHE 84 1.000 64.032 35.660 69.944 -99.200 -91.000 TRP 87 1.040 71.676 37.263 69.564 -99.200 -91.000 TRP6 87 1.020 71.006 37.044 71.837 -99.200 -91.000 TYR 99 0.840 43.271 40.407 54.063 -99.200 -91.000 TRP 102 1.040 41.421 52.171 62.291 -99.200 -91.000 TRP6 102 1.020 43.718 51.982 61.695 -99.200 -91.000 TYR 106 0.840 38.749 57.825 57.422 -99.200 -91.000 TRP 109 1.040 38.697 47.723 51.976 -99.200 -91.000 TRP6 109 1.020 38.970 45.825 50.580 -99.200 -91.000 TYR 114 0.840 44.597 49.928 56.906 -99.200 -91.000 TYR 130 0.840 65.196 49.452 61.301 -99.200 -91.000 PHE 134 1.000 53.445 48.743 56.060 -99.200 -91.000 TYR 135 0.840 55.163 41.302 52.671 -99.200 -91.000 HIS 136 0.900 47.771 47.392 49.557 -99.200 -91.000 HIS 137 0.900 47.645 41.035 55.352 -99.200 -91.000 HIS 154 0.900 55.858 59.565 54.054 -99.200 -91.000 HIS 158 0.900 60.079 60.759 54.944 -99.200 -91.000 TYR 163 0.840 65.559 45.550 52.036 -99.200 -91.000 TYR 169 0.840 49.092 44.379 45.084 -99.200 -91.000 HIS 191 0.900 52.984 38.435 44.980 -99.200 -91.000 TYR 195 0.840 54.023 27.289 44.206 -99.200 -91.000 PHE 198 1.000 46.481 18.756 47.815 -99.200 -91.000 TRP 201 1.040 46.393 32.080 39.383 -99.200 -91.000 TRP6 201 1.020 45.545 31.380 37.287 -99.200 -91.000 PHE 220 1.000 49.012 33.378 51.664 -99.200 -91.000 TYR 232 0.840 42.969 16.292 57.032 -99.200 -91.000 TRP 259 1.040 56.119 20.017 44.026 -99.200 -91.000 TRP6 259 1.020 54.645 21.848 43.752 -99.200 -91.000 PHE 291 1.000 60.499 17.153 45.188 -99.200 -91.000