============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 112.182 15.408 44.877 -99.200 -91.000 TRP6 14 1.020 110.999 13.744 43.687 -99.200 -91.000 PHE 19 1.000 110.843 34.146 50.886 -99.200 -91.000 TRP 37 1.040 110.624 14.578 60.496 -99.200 -91.000 TRP6 37 1.020 112.209 15.532 61.941 -99.200 -91.000 HIS 43 0.900 125.926 26.309 53.122 -99.200 -91.000 TYR 47 0.840 130.069 29.421 56.079 -99.200 -91.000 TRP 49 1.040 129.174 33.791 54.208 -99.200 -91.000 TRP6 49 1.020 127.864 32.958 52.450 -99.200 -91.000 PHE 53 1.000 119.034 32.746 58.492 -99.200 -91.000 HIS 65 0.900 108.110 25.797 36.681 -99.200 -91.000 TYR 70 0.840 100.753 32.525 47.522 -99.200 -91.000 TYR 84 0.840 115.233 18.243 65.310 -99.200 -91.000 HIS 86 0.900 126.204 15.035 62.142 -99.200 -91.000 TYR 89 0.840 127.941 22.783 59.553 -99.200 -91.000 TRP 91 1.040 131.667 26.659 61.482 -99.200 -91.000 TRP6 91 1.020 133.304 28.330 61.421 -99.200 -91.000 PHE 110 1.000 103.027 13.823 51.141 -99.200 -91.000 TYR 113 0.840 100.771 20.901 40.557 -99.200 -91.000 HIS 115 0.900 104.881 11.485 46.150 -99.200 -91.000 TYR 132 0.840 126.554 3.924 37.102 -99.200 -91.000 TRP 139 1.040 113.361 28.230 42.214 -99.200 -91.000 TRP6 139 1.020 112.610 26.807 43.919 -99.200 -91.000 PHE 177 1.000 127.227 12.639 45.936 -99.200 -91.000 TYR 181 0.840 128.535 16.744 31.992 -99.200 -91.000 PHE 200 1.000 124.102 14.181 42.106 -99.200 -91.000 PHE 206 1.000 118.386 -2.874 40.281 -99.200 -91.000 TRP 210 1.040 112.696 10.461 40.185 -99.200 -91.000 TRP6 210 1.020 114.275 11.258 38.642 -99.200 -91.000 TYR 211 0.840 115.645 4.839 45.924 -99.200 -91.000 TRP 218 1.040 132.087 21.635 49.875 -99.200 -91.000 TRP6 218 1.020 134.205 21.837 48.869 -99.200 -91.000 TYR 228 0.840 135.560 17.553 38.589 -99.200 -91.000 PHE 230 1.000 134.338 18.487 46.089 -99.200 -91.000 TYR 231 0.840 126.555 17.922 43.993 -99.200 -91.000 HIS 233 0.900 127.703 8.824 50.418 -99.200 -91.000 PHE 235 1.000 123.839 4.060 52.638 -99.200 -91.000 TRP 240 1.040 122.277 13.515 63.019 -99.200 -91.000 TRP6 240 1.020 121.293 14.994 61.491 -99.200 -91.000 PHE 248 1.000 115.110 15.092 69.111 -99.200 -91.000