============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. HIS 10 0.900 41.728 88.146 52.835 -99.200 -91.000 PHE 30 1.000 52.924 80.654 46.751 -99.200 -91.000 HIS 43 0.900 37.931 101.572 50.265 -99.200 -91.000 TYR 46 0.840 35.833 104.694 47.597 -99.200 -91.000 PHE 49 1.000 29.728 100.095 53.658 -99.200 -91.000 PHE 51 1.000 28.515 93.656 54.797 -99.200 -91.000 TRP 64 1.040 35.899 74.740 48.782 -99.200 -91.000 TRP6 64 1.020 36.919 76.604 49.805 -99.200 -91.000 PHE 71 1.000 41.762 75.144 50.630 -99.200 -91.000 TYR 75 0.840 46.032 86.675 53.454 -99.200 -91.000 TYR 78 0.840 35.383 93.762 56.059 -99.200 -91.000 PHE 91 1.000 38.630 76.680 55.520 -99.200 -91.000 PHE 95 1.000 38.849 72.002 54.412 -99.200 -91.000 TYR 115 0.840 39.111 98.935 58.709 -99.200 -91.000 PHE 118 1.000 34.722 95.264 61.001 -99.200 -91.000 HIS 125 0.900 38.431 81.178 69.661 -99.200 -91.000 PHE 141 1.000 48.342 100.153 71.465 -99.200 -91.000 TYR 142 0.840 39.880 98.954 68.631 -99.200 -91.000 TYR 148 0.840 46.414 104.452 68.221 -99.200 -91.000 TYR 160 0.840 52.490 97.735 73.099 -99.200 -91.000 HIS 180 0.900 59.747 110.755 69.619 -99.200 -91.000 HIS 184 0.900 56.772 114.421 56.595 -99.200 -91.000 TYR 189 0.840 58.835 98.658 65.998 -99.200 -91.000 TYR 191 0.840 58.865 86.938 69.678 -99.200 -91.000 TYR 198 0.840 61.714 90.503 70.538 -99.200 -91.000 TRP 199 1.040 63.684 89.509 62.492 -99.200 -91.000 TRP6 199 1.020 65.973 89.469 61.961 -99.200 -91.000 TYR 205 0.840 55.009 102.168 53.225 -99.200 -91.000 HIS 209 0.900 48.193 109.777 54.593 -99.200 -91.000 TYR 210 0.840 48.428 106.053 49.612 -99.200 -91.000 PHE 217 1.000 53.511 93.931 56.226 -99.200 -91.000 PHE 239 1.000 53.759 94.928 45.316 -99.200 -91.000 PHE 248 1.000 54.012 109.865 46.659 -99.200 -91.000 TYR 250 0.840 48.579 110.408 38.999 -99.200 -91.000 TYR 252 0.840 45.614 107.315 43.034 -99.200 -91.000 HIS 265 0.900 54.350 91.822 35.687 -99.200 -91.000 TYR 274 0.840 66.917 91.994 57.252 -99.200 -91.000