============================================================================= 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 7 1.000 88.255 40.544 123.762 -99.200 -91.000 TRP 45 1.040 90.456 46.238 128.323 -99.200 -91.000 TRP6 45 1.020 89.191 45.786 126.361 -99.200 -91.000 PHE 64 1.000 75.474 43.443 120.640 -99.200 -91.000 TYR 74 0.840 69.158 19.408 119.341 -99.200 -91.000 HIS 75 0.900 73.847 17.896 118.197 -99.200 -91.000 PHE 91 1.000 74.610 28.148 126.539 -99.200 -91.000 PHE 92 1.000 71.408 27.768 129.958 -99.200 -91.000 TYR 96 0.840 71.884 32.683 133.126 -99.200 -91.000 TYR 100 0.840 76.180 40.458 139.262 -99.200 -91.000 HIS 103 0.900 72.607 43.465 133.860 -99.200 -91.000 TYR 105 0.840 83.451 46.782 132.670 -99.200 -91.000 TRP 112 1.040 76.872 50.281 116.362 -99.200 -91.000 TRP6 112 1.020 76.000 52.473 116.289 -99.200 -91.000 HIS 128 0.900 76.705 55.571 128.858 -99.200 -91.000 TYR 146 0.840 63.841 30.872 131.787 -99.200 -91.000 TYR 153 0.840 67.207 43.851 138.285 -99.200 -91.000 PHE 154 1.000 66.138 41.847 130.320 -99.200 -91.000 PHE 163 1.000 52.544 41.806 123.308 -99.200 -91.000 TYR 169 0.840 56.266 44.279 119.390 -99.200 -91.000 HIS 170 0.900 61.197 39.913 115.354 -99.200 -91.000 TYR 177 0.840 56.313 52.739 126.370 -99.200 -91.000 HIS 183 0.900 72.034 58.266 125.095 -99.200 -91.000 TYR 184 0.840 66.672 56.623 116.380 -99.200 -91.000 PHE 193 1.000 83.432 52.971 117.527 -99.200 -91.000 TRP 200 1.040 86.961 59.198 126.949 -99.200 -91.000 TRP6 200 1.020 84.854 58.146 127.392 -99.200 -91.000 HIS 208 0.900 78.266 55.483 133.893 -99.200 -91.000 TRP 258 1.040 50.842 46.017 116.269 -99.200 -91.000 TRP6 258 1.020 50.628 45.553 118.584 -99.200 -91.000 TRP 273 1.040 52.897 29.626 125.911 -99.200 -91.000 TRP6 273 1.020 50.970 28.468 125.144 -99.200 -91.000 HIS 274 0.900 51.973 26.560 133.030 -99.200 -91.000 TYR 277 0.840 50.760 34.298 135.254 -99.200 -91.000 PHE 292 1.000 72.116 37.904 135.617 -99.200 -91.000 TRP 294 1.040 63.740 31.658 140.213 -99.200 -91.000 TRP6 294 1.020 62.772 31.934 138.052 -99.200 -91.000 PHE 308 1.000 67.479 23.921 124.612 -99.200 -91.000 TRP 325 1.040 55.178 23.225 121.659 -99.200 -91.000 TRP6 325 1.020 57.495 23.631 121.479 -99.200 -91.000 PHE 327 1.000 53.444 17.752 130.170 -99.200 -91.000 TRP 346 1.040 73.443 22.010 140.662 -99.200 -91.000 TRP6 346 1.020 72.617 23.975 139.666 -99.200 -91.000