============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. HIS 12 0.900 34.518 51.459 75.537 -99.200 -91.000 TYR 34 0.840 27.642 61.634 82.777 -99.200 -91.000 TYR 38 0.840 39.749 64.475 70.441 -99.200 -91.000 PHE 42 1.000 42.302 60.591 60.991 -99.200 -91.000 HIS 51 0.900 29.888 66.361 67.788 -99.200 -91.000 PHE 53 1.000 27.268 59.473 68.141 -99.200 -91.000 PHE 62 1.000 12.942 55.861 67.849 -99.200 -91.000 HIS 68 0.900 3.883 46.715 68.800 -99.200 -91.000 TRP 85 1.040 -0.743 45.612 54.802 -99.200 -91.000 TRP6 85 1.020 -1.199 44.252 56.681 -99.200 -91.000 PHE 86 1.000 4.253 43.216 52.919 -99.200 -91.000 HIS 103 0.900 14.568 40.483 65.216 -99.200 -91.000 PHE 110 1.000 18.264 44.512 54.368 -99.200 -91.000 TRP 122 1.040 20.204 50.147 48.399 -99.200 -91.000 TRP6 122 1.020 20.244 47.989 47.432 -99.200 -91.000 PHE 130 1.000 21.184 42.703 47.965 -99.200 -91.000 PHE 132 1.000 11.657 36.725 49.834 -99.200 -91.000 HIS 134 0.900 22.167 38.916 45.912 -99.200 -91.000 TRP 141 1.040 5.288 31.201 63.993 -99.200 -91.000 TRP6 141 1.020 5.531 32.849 65.685 -99.200 -91.000 HIS 142 0.900 14.035 30.037 61.811 -99.200 -91.000 TYR 146 0.840 18.760 41.757 64.353 -99.200 -91.000 TYR 151 0.840 11.844 45.169 63.398 -99.200 -91.000 HIS 160 0.900 -1.844 49.603 51.570 -99.200 -91.000 TYR 166 0.840 10.343 53.970 56.953 -99.200 -91.000 HIS 169 0.900 2.459 55.747 62.037 -99.200 -91.000 PHE 175 1.000 11.283 60.637 64.906 -99.200 -91.000 TRP 184 1.040 16.376 65.274 60.723 -99.200 -91.000 TRP6 184 1.020 17.920 66.077 62.333 -99.200 -91.000 HIS 188 0.900 11.078 57.148 53.099 -99.200 -91.000 PHE 191 1.000 22.181 62.555 58.141 -99.200 -91.000 TYR 200 0.840 36.905 58.344 62.894 -99.200 -91.000 HIS 202 0.900 39.097 51.918 65.871 -99.200 -91.000 TRP 211 1.040 28.130 45.207 57.942 -99.200 -91.000 TRP6 211 1.020 28.946 46.466 59.778 -99.200 -91.000 TRP 224 1.040 39.874 51.856 55.928 -99.200 -91.000 TRP6 224 1.020 40.523 49.969 57.203 -99.200 -91.000 TRP 229 1.040 33.348 53.420 54.263 -99.200 -91.000 TRP6 229 1.020 34.052 51.528 55.484 -99.200 -91.000 PHE 230 1.000 24.193 50.612 54.438 -99.200 -91.000 PHE 251 1.000 11.055 55.292 71.264 -99.200 -91.000 PHE 256 1.000 10.978 50.655 78.112 -99.200 -91.000 TRP 267 1.040 2.193 41.783 78.257 -99.200 -91.000 TRP6 267 1.020 1.500 40.258 76.585 -99.200 -91.000 PHE 277 1.000 23.856 34.167 68.961 -99.200 -91.000 PHE 278 1.000 23.183 41.489 66.407 -99.200 -91.000 HIS 288 0.900 5.861 40.382 69.692 -99.200 -91.000 TYR 295 0.840 24.190 45.581 79.218 -99.200 -91.000 HIS 303 0.900 17.057 46.523 68.402 -99.200 -91.000 HIS 310 0.900 28.127 57.177 63.849 -99.200 -91.000 PHE 335 1.000 27.818 39.953 63.734 -99.200 -91.000 PHE 338 1.000 37.513 47.580 73.051 -99.200 -91.000 TYR 339 0.840 38.660 48.908 68.255 -99.200 -91.000