============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 10 1.000 12.561 5.957 38.776 -99.200 -91.000 TYR 11 0.840 18.601 6.629 29.256 -99.200 -91.000 HIS 37 0.900 1.377 -4.325 49.415 -99.200 -91.000 TRP 40 1.040 12.512 -0.379 43.268 -99.200 -91.000 TRP6 40 1.020 13.001 1.479 41.878 -99.200 -91.000 PHE 54 1.000 5.335 0.912 30.591 -99.200 -91.000 HIS 60 0.900 -0.361 -3.922 14.064 -99.200 -91.000 TYR 90 0.840 -3.157 -11.479 20.779 -99.200 -91.000 HIS 100 0.900 16.474 -6.537 24.949 -99.200 -91.000 TRP 110 1.040 8.563 -13.342 38.822 -99.200 -91.000 TRP6 110 1.020 7.400 -15.237 39.609 -99.200 -91.000 TRP 122 1.040 15.109 -18.128 46.787 -99.200 -91.000 TRP6 122 1.020 14.438 -19.796 48.340 -99.200 -91.000 TYR 127 0.840 14.464 -23.404 41.294 -99.200 -91.000 HIS 131 0.900 20.339 -26.070 47.044 -99.200 -91.000 TYR 136 0.840 31.729 -16.677 35.312 -99.200 -91.000 PHE 141 1.000 40.329 -11.690 26.928 -99.200 -91.000 PHE 160 1.000 35.889 -12.663 42.300 -99.200 -91.000 PHE 165 1.000 40.708 -11.647 32.294 -99.200 -91.000 TRP 167 1.040 32.083 -8.676 25.439 -99.200 -91.000 TRP6 167 1.020 30.755 -8.230 23.528 -99.200 -91.000 PHE 203 1.000 36.579 -15.604 16.781 -99.200 -91.000 TRP 224 1.040 32.244 -20.272 29.359 -99.200 -91.000 TRP6 224 1.020 31.382 -20.601 31.540 -99.200 -91.000 PHE 229 1.000 30.967 -19.311 15.357 -99.200 -91.000 HIS 237 0.900 26.764 -20.369 18.530 -99.200 -91.000 HIS 256 0.900 14.952 -11.498 20.994 -99.200 -91.000 PHE 258 1.000 11.756 -22.541 26.284 -99.200 -91.000 HIS 259 0.900 10.031 -21.916 21.688 -99.200 -91.000 HIS 263 0.900 14.547 -22.538 18.241 -99.200 -91.000 TYR 267 0.840 17.503 -27.399 16.205 -99.200 -91.000 PHE 272 1.000 29.787 -24.904 30.871 -99.200 -91.000 TYR 300 0.840 19.717 -20.910 33.858 -99.200 -91.000 HIS 303 0.900 25.186 -11.472 30.325 -99.200 -91.000 PHE 305 1.000 30.846 -7.332 32.265 -99.200 -91.000 HIS 308 0.900 26.077 -7.389 44.134 -99.200 -91.000 PHE 318 1.000 22.206 -20.290 38.401 -99.200 -91.000 TYR 329 0.840 30.337 -10.690 42.475 -99.200 -91.000 HIS 344 0.900 26.100 -3.316 47.114 -99.200 -91.000 TYR 373 0.840 25.257 6.942 39.201 -99.200 -91.000 TYR 387 0.840 9.796 8.394 30.372 -99.200 -91.000