============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 64 rings ring int. center anis. iso. PHE 2 1.000 37.661 108.015 7.889 -99.200 -91.000 TYR 4 0.840 38.046 104.930 12.338 -99.200 -91.000 TYR 10 0.840 27.426 120.655 9.638 -99.200 -91.000 TYR 17 0.840 32.624 117.039 -2.462 -99.200 -91.000 TYR 32 0.840 10.648 95.492 -2.164 -99.200 -91.000 TYR 44 0.840 25.657 106.062 -5.489 -99.200 -91.000 TYR 47 0.840 32.756 106.269 -13.050 -99.200 -91.000 TYR 49 0.840 27.816 96.673 -8.872 -99.200 -91.000 TYR 55 0.840 31.439 97.388 -5.105 -99.200 -91.000 PHE 58 1.000 23.897 104.561 5.351 -99.200 -91.000 TYR 59 0.840 19.895 97.619 2.850 -99.200 -91.000 HIS 62 0.900 10.407 107.647 3.302 -99.200 -91.000 PHE 72 1.000 19.856 107.848 -4.130 -99.200 -91.000 HIS 84 0.900 31.112 115.985 -7.270 -99.200 -91.000 PHE 101 1.000 8.451 105.999 6.837 -99.200 -91.000 PHE 111 1.000 12.003 99.206 5.690 -99.200 -91.000 TYR 112 0.840 11.150 95.320 13.468 -99.200 -91.000 PHE 115 1.000 17.221 96.160 6.623 -99.200 -91.000 PHE 122 1.000 14.453 93.264 -5.551 -99.200 -91.000 TYR 127 0.840 21.762 95.762 -7.821 -99.200 -91.000 TYR 130 0.840 32.745 92.765 1.836 -99.200 -91.000 HIS 145 0.900 32.194 93.295 5.918 -99.200 -91.000 PHE 148 1.000 17.526 100.943 7.943 -99.200 -91.000 PHE 151 1.000 15.271 114.557 8.174 -99.200 -91.000 TRP 159 1.040 17.081 105.832 17.291 -99.200 -91.000 TRP6 159 1.020 19.194 105.534 18.329 -99.200 -91.000 TYR 160 0.840 10.637 100.791 17.251 -99.200 -91.000 TYR 168 0.840 19.307 89.174 9.092 -99.200 -91.000 TYR 171 0.840 30.228 99.937 10.865 -99.200 -91.000 PHE 172 1.000 22.556 99.342 13.871 -99.200 -91.000 TYR 179 0.840 14.127 102.099 20.821 -99.200 -91.000 TRP 180 1.040 9.487 108.574 18.881 -99.200 -91.000 TRP6 180 1.020 7.778 109.227 17.404 -99.200 -91.000 TYR 181 0.840 10.237 99.085 23.842 -99.200 -91.000 TYR 206 0.840 27.262 97.017 20.173 -99.200 -91.000 PHE 207 1.000 31.838 99.574 15.249 -99.200 -91.000 PHE 209 1.000 29.271 109.956 13.058 -99.200 -91.000 TYR 219 0.840 20.317 119.079 21.539 -99.200 -91.000 HIS 234 0.900 25.169 97.207 27.460 -99.200 -91.000 PHE 235 1.000 25.620 101.978 22.746 -99.200 -91.000 TYR 237 0.840 30.084 110.506 22.632 -99.200 -91.000 PHE 241 1.000 32.119 104.823 14.952 -99.200 -91.000 PHE 246 1.000 26.210 106.598 21.771 -99.200 -91.000 TYR 247 0.840 31.270 112.250 17.667 -99.200 -91.000 PHE 248 1.000 23.288 113.806 19.525 -99.200 -91.000 HIS 256 0.900 13.254 117.403 11.418 -99.200 -91.000 TRP 257 1.040 16.030 121.867 3.965 -99.200 -91.000 TRP6 257 1.020 17.765 123.365 3.392 -99.200 -91.000 TRP 258 1.040 15.749 114.705 3.504 -99.200 -91.000 TRP6 258 1.020 17.399 113.087 3.959 -99.200 -91.000 TYR 260 0.840 21.208 123.602 7.654 -99.200 -91.000 HIS 263 0.900 25.920 119.607 3.368 -99.200 -91.000 TYR 264 0.840 23.192 116.835 10.194 -99.200 -91.000 TYR 266 0.840 31.481 115.369 2.694 -99.200 -91.000 TYR 271 0.840