============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 90 rings ring int. center anis. iso. PHE 10 1.000 37.491 5.252 17.963 -99.200 -91.000 PHE 19 1.000 38.866 -6.229 5.977 -99.200 -91.000 HIS 31 0.900 40.200 8.597 4.079 -99.200 -91.000 PHE 33 1.000 39.136 5.113 12.885 -99.200 -91.000 TYR 53 0.840 37.828 -1.359 7.272 -99.200 -91.000 PHE 57 1.000 30.433 8.749 -1.797 -99.200 -91.000 TYR 68 0.840 37.414 -3.904 25.476 -99.200 -91.000 TRP 76 1.040 40.685 4.365 24.934 -99.200 -91.000 TRP6 76 1.020 38.354 4.562 25.158 -99.200 -91.000 TYR 106 0.840 20.284 -4.983 23.883 -99.200 -91.000 TYR 112 0.840 21.990 0.872 3.099 -99.200 -91.000 TYR 118 0.840 22.968 9.255 3.081 -99.200 -91.000 TRP 119 1.040 19.541 6.657 4.390 -99.200 -91.000 TRP6 119 1.020 17.450 6.320 5.406 -99.200 -91.000 HIS 122 0.900 19.441 3.126 -1.746 -99.200 -91.000 TRP 128 1.040 17.392 -0.951 4.964 -99.200 -91.000 TRP6 128 1.020 15.345 -1.956 5.596 -99.200 -91.000 TRP 152 1.040 31.533 -6.497 19.985 -99.200 -91.000 TRP6 152 1.020 29.740 -4.988 20.245 -99.200 -91.000 PHE 161 1.000 10.628 -8.146 14.877 -99.200 -91.000 PHE 162 1.000 10.479 -0.459 7.190 -99.200 -91.000 HIS 170 0.900 1.741 1.979 -0.144 -99.200 -91.000 PHE 174 1.000 13.729 0.159 10.722 -99.200 -91.000 TYR 191 0.840 18.237 1.032 18.941 -99.200 -91.000 PHE 203 1.000 8.231 8.401 7.820 -99.200 -91.000 PHE 207 1.000 12.679 -1.002 15.294 -99.200 -91.000 TYR 208 0.840 7.078 0.353 21.413 -99.200 -91.000 TRP 216 1.040 13.509 -4.812 17.984 -99.200 -91.000 TRP6 216 1.020 14.354 -2.976 19.185 -99.200 -91.000 PHE 218 1.000 9.071 0.890 12.768 -99.200 -91.000 PHE 225 1.000 5.829 13.227 5.412 -99.200 -91.000 TRP 235 1.040 12.542 16.727 31.383 -99.200 -91.000 TRP6 235 1.020 14.631 17.010 32.443 -99.200 -91.000 TYR 247 0.840 19.979 22.343 2.841 -99.200 -91.000 TYR 253 0.840 8.234 16.563 16.050 -99.200 -91.000 TRP 262 1.040 5.826 10.809 17.431 -99.200 -91.000 TRP6 262 1.020 8.042 11.196 16.773 -99.200 -91.000 TRP 273 1.040 19.926 24.198 20.645 -99.200 -91.000 TRP6 273 1.020 18.620 22.742 21.942 -99.200 -91.000 PHE 288 1.000 17.746 16.124 23.810 -99.200 -91.000 PHE 301 1.000 21.172 19.863 20.771 -99.200 -91.000 HIS 303 0.900 23.472 21.194 15.157 -99.200 -91.000 PHE 307 1.000 30.141 30.954 13.841 -99.200 -91.000 TRP 311 1.040 26.362 17.999 4.191 -99.200 -91.000 TRP6 311 1.020 26.112 18.730 1.978 -99.200 -91.000 TRP 319 1.040 23.748 24.552 22.700 -99.200 -91.000 TRP6 319 1.020 23.173 26.807 22.844 -99.200 -91.000 TYR 327 0.840 25.580 28.753 30.736 -99.200 -91.000 TYR 341 0.840 27.221 13.142 12.126 -99.200 -91.000 TYR 346 0.840 27.970 13.654 35.324 -99.200 -91.000 TYR 352 0.840 35.356 10.991 30.928 -99.200 -91.000 HIS 355 0.900 35.216 16.957 19.162 -99.200 -91.000 TYR 363 0.840 34.864 13.468 8.115 -99.200 -91.000 PHE 367 1.000 37.958 9.689 26.200 -99.200 -91.000 TRP 384 1.