============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 3 1.000 123.037 46.823 19.027 -99.200 -91.000 TRP 4 1.040 119.880 40.618 14.182 -99.200 -91.000 TRP6 4 1.020 119.080 39.306 15.981 -99.200 -91.000 TYR 6 0.840 123.787 50.997 11.890 -99.200 -91.000 HIS 14 0.900 113.189 55.581 2.273 -99.200 -91.000 HIS 15 0.900 109.321 46.513 4.602 -99.200 -91.000 TYR 25 0.840 106.791 54.801 15.381 -99.200 -91.000 TYR 27 0.840 112.232 47.149 10.091 -99.200 -91.000 TYR 31 0.840 119.566 52.719 14.739 -99.200 -91.000 TYR 44 0.840 116.471 55.330 34.694 -99.200 -91.000 TYR 52 0.840 102.527 45.578 34.647 -99.200 -91.000 HIS 64 0.900 113.070 46.363 18.008 -99.200 -91.000 TRP 67 1.040 116.362 43.075 23.154 -99.200 -91.000 TRP6 67 1.020 114.679 42.323 21.669 -99.200 -91.000 PHE 98 1.000 113.780 51.140 32.262 -99.200 -91.000 PHE 108 1.000 110.572 44.383 42.724 -99.200 -91.000 PHE 122 1.000 123.093 41.605 17.832 -99.200 -91.000 PHE 132 1.000 110.693 34.601 36.031 -99.200 -91.000 PHE 147 1.000 119.957 40.310 21.667 -99.200 -91.000 HIS 150 0.900 114.851 35.425 21.578 -99.200 -91.000 TYR 151 0.840 120.712 34.189 12.883 -99.200 -91.000 PHE 163 1.000 110.228 34.209 8.907 -99.200 -91.000 TRP 169 1.040 103.389 36.765 12.263 -99.200 -91.000 TRP6 169 1.020 105.107 35.239 11.682 -99.200 -91.000 TYR 176 0.840 102.003 38.640 29.188 -99.200 -91.000 HIS 177 0.900 103.068 33.882 28.475 -99.200 -91.000 PHE 192 1.000 108.363 39.414 9.614 -99.200 -91.000 PHE 200 1.000 90.637 36.504 18.799 -99.200 -91.000 HIS 216 0.900 103.676 35.074 7.058 -99.200 -91.000 TRP 226 1.040 85.791 31.670 19.820 -99.200 -91.000 TRP6 226 1.020 87.088 32.426 21.647 -99.200 -91.000 HIS 233 0.900 82.634 31.621 6.184 -99.200 -91.000 TYR 236 0.840 88.963 37.733 3.112 -99.200 -91.000 TYR 259 0.840 84.945 28.111 5.045 -99.200 -91.000 TYR 264 0.840 102.225 26.307 7.160 -99.200 -91.000 PHE 267 1.000 105.474 20.774 22.169 -99.200 -91.000 PHE 276 1.000 110.722 21.277 19.959 -99.200 -91.000 HIS 285 0.900 93.873 15.950 3.146 -99.200 -91.000 HIS 310 0.900 102.736 6.480 22.827 -99.200 -91.000 TYR 324 0.840 114.681 25.635 33.274 -99.200 -91.000 TYR 326 0.840 114.702 31.066 41.635 -99.200 -91.000 PHE 334 1.000 120.084 21.826 28.926 -99.200 -91.000 TYR 338 0.840 119.742 15.141 21.563 -99.200 -91.000 PHE 339 1.000 114.254 21.759 27.965 -99.200 -91.000 HIS 349 0.900 106.355 3.714 9.362 -99.200 -91.000 TYR 352 0.840 103.578 12.960 8.846 -99.200 -91.000 TYR 356 0.840 100.645 10.186 21.730 -99.200 -91.000