============================================================================= 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. TYR 2 0.840 7.581 40.702 32.021 -99.200 -91.000 PHE 10 1.000 13.175 33.689 24.331 -99.200 -91.000 PHE 12 1.000 18.648 36.537 19.764 -99.200 -91.000 TRP 15 1.040 20.931 35.991 9.490 -99.200 -91.000 TRP6 15 1.020 20.735 33.726 10.115 -99.200 -91.000 TRP 19 1.040 22.371 44.100 8.228 -99.200 -91.000 TRP6 19 1.020 21.055 45.991 8.729 -99.200 -91.000 PHE 25 1.000 17.847 53.096 -2.165 -99.200 -91.000 HIS 48 0.900 18.444 26.053 23.592 -99.200 -91.000 PHE 52 1.000 26.542 27.063 11.097 -99.200 -91.000 HIS 53 0.900 22.463 32.653 6.261 -99.200 -91.000 PHE 60 1.000 32.244 31.892 -2.066 -99.200 -91.000 HIS 70 0.900 37.405 31.637 9.920 -99.200 -91.000 PHE 74 1.000 29.701 28.754 15.904 -99.200 -91.000 PHE 93 1.000 21.197 34.682 1.473 -99.200 -91.000 HIS 95 0.900 30.116 34.191 -5.631 -99.200 -91.000 PHE 98 1.000 24.847 30.315 -5.012 -99.200 -91.000 PHE 103 1.000 18.846 23.713 -3.399 -99.200 -91.000 TYR 113 0.840 29.268 26.773 -5.937 -99.200 -91.000 TYR 133 0.840 21.291 22.907 6.048 -99.200 -91.000 TRP 136 1.040 14.691 33.251 1.978 -99.200 -91.000 TRP6 136 1.020 16.341 34.887 1.505 -99.200 -91.000 PHE 161 1.000 14.275 22.093 -0.941 -99.200 -91.000 TYR 167 0.840 24.840 13.883 2.048 -99.200 -91.000 TYR 173 0.840 24.236 13.308 8.083 -99.200 -91.000 PHE 177 1.000 17.047 18.745 4.086 -99.200 -91.000 HIS 197 0.900 1.736 30.181 -2.751 -99.200 -91.000 PHE 201 1.000 8.857 22.125 -3.593 -99.200 -91.000 TYR 211 0.840 12.152 17.260 2.069 -99.200 -91.000 HIS 219 0.900 10.778 36.068 5.035 -99.200 -91.000 PHE 227 1.000 4.420 34.175 11.253 -99.200 -91.000 HIS 229 0.900 -6.324 33.799 10.733 -99.200 -91.000 TRP 236 1.040 -5.651 21.111 10.442 -99.200 -91.000 TRP6 236 1.020 -5.854 20.692 8.133 -99.200 -91.000 PHE 241 1.000 9.298 19.328 10.012 -99.200 -91.000 HIS 242 0.900 14.258 27.364 13.259 -99.200 -91.000 TYR 253 0.840 12.271 48.462 4.268 -99.200 -91.000 PHE 259 1.000 7.778 37.972 18.689 -99.200 -91.000 PHE 268 1.000 -2.468 38.454 23.270 -99.200 -91.000 TRP 269 1.040 -4.556 37.976 18.497 -99.200 -91.000 TRP6 269 1.020 -5.871 37.031 20.217 -99.200 -91.000 TYR 279 0.840 7.959 26.026 17.760 -99.200 -91.000 HIS 284 0.900 16.648 31.735 13.971 -99.200 -91.000 PHE 285 1.000 13.598 36.182 19.399 -99.200 -91.000 PHE 287 1.000 17.304 41.262 16.304 -99.200 -91.000 TRP 299 1.040 25.792 43.116 22.108 -99.200 -91.000 TRP6 299 1.020 25.557 41.138 20.869 -99.200 -91.000 TYR 309 0.840 7.872 33.634 22.717 -99.200 -91.000 PHE 319 1.000 -7.684 36.050 25.566 -99.200 -91.000 PHE 356 1.000 -32.073 23.105 2.836 -99.200 -91.000 PHE 359 1.000 -30.338 26.487 10.981 -99.200 -91.000 PHE 371 1.000 -16.820 35.831 16.627 -99.200 -91.000 HIS 381 0.900 -6.430 39.040 30.594 -99.200 -91.000