============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. PHE 21 1.000 21.881 12.327 37.873 -99.200 -91.000 HIS 23 0.900 13.578 10.403 47.318 -99.200 -91.000 HIS 25 0.900 10.298 13.120 43.202 -99.200 -91.000 PHE 38 1.000 13.915 10.253 52.935 -99.200 -91.000 HIS 57 0.900 41.075 16.984 56.350 -99.200 -91.000 PHE 61 1.000 24.092 16.094 57.161 -99.200 -91.000 HIS 73 0.900 4.152 14.058 47.918 -99.200 -91.000 TYR 77 0.840 3.828 12.684 61.181 -99.200 -91.000 HIS 92 0.900 30.070 15.411 61.959 -99.200 -91.000 PHE 96 1.000 15.947 16.948 58.470 -99.200 -91.000 HIS 97 0.900 17.410 26.343 57.572 -99.200 -91.000 PHE 121 1.000 11.310 17.180 59.521 -99.200 -91.000 PHE 129 1.000 10.688 24.092 54.138 -99.200 -91.000 TYR 131 0.840 19.898 17.694 54.428 -99.200 -91.000 HIS 132 0.900 22.402 24.436 59.152 -99.200 -91.000 TRP 141 1.040 35.652 23.779 60.722 -99.200 -91.000 TRP6 141 1.020 36.079 21.941 62.148 -99.200 -91.000 HIS 142 0.900 30.833 20.084 62.333 -99.200 -91.000 HIS 160 0.900 -1.710 22.922 41.911 -99.200 -91.000 TYR 169 0.840 9.052 17.884 39.348 -99.200 -91.000 TYR 173 0.840 19.060 17.406 36.080 -99.200 -91.000 TYR 174 0.840 20.165 19.754 46.505 -99.200 -91.000 PHE 180 1.000 34.013 23.365 49.709 -99.200 -91.000 TYR 181 0.840 34.165 30.867 53.425 -99.200 -91.000 TYR 190 0.840 43.670 27.643 47.289 -99.200 -91.000 TYR 193 0.840 45.344 22.827 57.219 -99.200 -91.000 TYR 200 0.840 37.509 25.786 64.653 -99.200 -91.000 HIS 214 0.900 38.690 26.840 45.961 -99.200 -91.000 PHE 217 1.000 26.438 26.130 40.760 -99.200 -91.000 HIS 242 0.900 21.517 27.320 43.026 -99.200 -91.000 HIS 252 0.900 20.931 34.572 33.647 -99.200 -91.000 HIS 257 0.900 14.215 33.988 29.606 -99.200 -91.000 TYR 260 0.840 5.007 29.142 35.622 -99.200 -91.000 TRP 262 1.040 6.909 28.142 43.801 -99.200 -91.000 TRP6 262 1.020 7.134 26.756 41.895 -99.200 -91.000 PHE 267 1.000 7.326 23.983 46.321 -99.200 -91.000 TRP 278 1.040 16.334 31.529 40.314 -99.200 -91.000 TRP6 278 1.020 16.438 31.327 37.951 -99.200 -91.000 PHE 279 1.000 19.701 37.543 47.053 -99.200 -91.000 PHE 289 1.000 7.519 23.637 35.609 -99.200 -91.000 TYR 290 0.840 13.613 27.768 30.333 -99.200 -91.000 PHE 292 1.000 16.260 23.529 29.541 -99.200 -91.000 TYR 298 0.840 19.726 26.248 27.197 -99.200 -91.000 TYR 300 0.840 21.291 26.823 37.645 -99.200 -91.000 HIS 303 0.900 24.620 37.086 35.500 -99.200 -91.000 PHE 309 1.000 31.123 31.967 33.486 -99.200 -91.000 HIS 316 0.900 29.102 23.889 30.711 -99.200 -91.000 PHE 317 1.000 20.228 22.352 33.246 -99.200 -91.000 TRP 323 1.040 17.936 27.881 16.234 -99.200 -91.000 TRP6 323 1.020 19.037 28.453 18.248 -99.200 -91.000