============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TYR 10 0.840 103.243 129.325 68.343 -99.200 -91.000 HIS 19 0.900 94.854 127.844 72.941 -99.200 -91.000 TYR 26 0.840 104.593 132.797 64.748 -99.200 -91.000 HIS 37 0.900 110.361 139.865 53.606 -99.200 -91.000 PHE 42 1.000 102.371 142.853 43.921 -99.200 -91.000 PHE 47 1.000 107.175 152.620 34.339 -99.200 -91.000 HIS 57 0.900 92.157 145.615 42.799 -99.200 -91.000 HIS 59 0.900 102.725 147.923 44.210 -99.200 -91.000 TYR 62 0.840 99.866 141.035 48.304 -99.200 -91.000 PHE 66 1.000 103.562 147.137 56.257 -99.200 -91.000 PHE 72 1.000 93.683 144.590 66.050 -99.200 -91.000 TYR 84 0.840 95.862 140.380 64.233 -99.200 -91.000 HIS 95 0.900 95.199 140.626 49.960 -99.200 -91.000 HIS 112 0.900 102.384 145.745 26.157 -99.200 -91.000 TYR 121 0.840 113.874 132.950 38.262 -99.200 -91.000 PHE 122 1.000 105.350 139.176 41.068 -99.200 -91.000 HIS 139 0.900 97.439 126.072 63.411 -99.200 -91.000 HIS 140 0.900 94.959 133.391 66.210 -99.200 -91.000 HIS 144 0.900 89.602 132.071 68.251 -99.200 -91.000 PHE 150 1.000 91.142 118.640 60.664 -99.200 -91.000 TRP 167 1.040 90.439 117.437 47.297 -99.200 -91.000 TRP6 167 1.020 89.032 119.294 46.817 -99.200 -91.000 PHE 170 1.000 86.207 120.087 42.666 -99.200 -91.000 HIS 177 0.900 78.350 120.913 33.714 -99.200 -91.000 TYR 179 0.840 85.820 116.168 28.467 -99.200 -91.000 HIS 190 0.900 102.672 101.920 52.253 -99.200 -91.000 PHE 195 1.000 100.178 110.204 56.516 -99.200 -91.000 PHE 197 1.000 100.606 115.480 54.815 -99.200 -91.000 TYR 204 0.840 96.337 124.978 43.549 -99.200 -91.000 HIS 221 0.900 91.195 106.983 25.813 -99.200 -91.000 TYR 226 0.840 81.081 104.115 24.181 -99.200 -91.000 HIS 255 0.900 109.318 113.029 23.167 -99.200 -91.000 TYR 264 0.840 103.637 130.221 37.893 -99.200 -91.000 HIS 265 0.900 100.153 133.847 32.543 -99.200 -91.000 PHE 266 1.000 102.236 125.017 27.058 -99.200 -91.000 HIS 272 0.900 91.949 125.657 30.735 -99.200 -91.000 PHE 274 1.000 93.938 130.734 36.426 -99.200 -91.000 PHE 276 1.000 98.973 131.351 36.941 -99.200 -91.000 TYR 284 0.840 100.266 126.530 46.243 -99.200 -91.000 TYR 287 0.840 106.145 128.149 51.318 -99.200 -91.000 TYR 305 0.840 106.204 108.856 39.757 -99.200 -91.000 HIS 310 0.900 104.707 111.249 56.526 -99.200 -91.000