============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 2 1.000 26.053 27.471 0.075 -99.200 -91.000 HIS 4 0.900 14.702 31.787 2.517 -99.200 -91.000 PHE 5 1.000 21.477 33.789 7.268 -99.200 -91.000 HIS 9 0.900 10.791 46.875 8.425 -99.200 -91.000 HIS 13 0.900 15.294 51.824 10.118 -99.200 -91.000 TRP 16 1.040 14.175 51.652 3.920 -99.200 -91.000 TRP6 16 1.020 15.554 52.876 5.401 -99.200 -91.000 TRP 18 1.040 17.168 44.129 6.983 -99.200 -91.000 TRP6 18 1.020 18.555 43.618 8.831 -99.200 -91.000 HIS 19 0.900 21.783 50.155 1.427 -99.200 -91.000 HIS 30 0.900 24.632 31.938 3.964 -99.200 -91.000 PHE 53 1.000 5.683 45.106 17.176 -99.200 -91.000 TYR 56 0.840 5.433 46.539 12.271 -99.200 -91.000 PHE 63 1.000 9.644 34.281 3.552 -99.200 -91.000 TYR 92 0.840 3.443 30.349 10.172 -99.200 -91.000 PHE 101 1.000 15.898 37.499 19.365 -99.200 -91.000 HIS 102 0.900 21.868 44.078 13.479 -99.200 -91.000 HIS 111 0.900 9.008 39.099 33.413 -99.200 -91.000 TYR 115 0.840 9.781 42.363 32.042 -99.200 -91.000 PHE 124 1.000 17.198 56.921 23.638 -99.200 -91.000 TRP 127 1.040 12.218 57.237 22.336 -99.200 -91.000 TRP6 127 1.020 11.969 55.566 20.680 -99.200 -91.000 TYR 132 0.840 6.275 60.302 20.726 -99.200 -91.000 PHE 133 1.000 0.822 59.205 14.092 -99.200 -91.000 TYR 135 0.840 -3.104 54.362 14.442 -99.200 -91.000 PHE 149 1.000 13.943 63.929 8.917 -99.200 -91.000 TYR 157 0.840 20.221 55.678 9.974 -99.200 -91.000 TYR 165 0.840 20.704 61.838 9.071 -99.200 -91.000 PHE 178 1.000 1.053 48.773 16.107 -99.200 -91.000 PHE 187 1.000 2.050 37.117 30.247 -99.200 -91.000 PHE 188 1.000 5.525 37.581 22.252 -99.200 -91.000 TYR 193 0.840 10.347 34.446 21.874 -99.200 -91.000 TYR 200 0.840 20.839 40.589 22.933 -99.200 -91.000 TRP 202 1.040 25.755 42.812 23.261 -99.200 -91.000 TRP6 202 1.020 26.225 44.524 24.827 -99.200 -91.000 PHE 209 1.000 16.784 48.724 20.971 -99.200 -91.000 PHE 213 1.000 16.263 47.272 26.198 -99.200 -91.000 TRP 216 1.040 16.486 44.463 32.714 -99.200 -91.000 TRP6 216 1.020 14.707 44.100 31.199 -99.200 -91.000 TYR 221 0.840 13.531 34.140 26.882 -99.200 -91.000 TYR 227 0.840 28.083 34.829 17.538 -99.200 -91.000 HIS 234 0.900 19.859 50.666 16.961 -99.200 -91.000 TYR 255 0.840 22.145 27.480 16.871 -99.200 -91.000