============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 6 1.000 19.791 6.965 1.783 -99.200 -91.000 PHE 19 1.000 -7.106 4.596 21.204 -99.200 -91.000 PHE 26 1.000 -21.130 5.719 15.180 -99.200 -91.000 TYR 46 0.840 10.057 9.241 6.299 -99.200 -91.000 TYR 57 0.840 9.835 14.617 10.002 -99.200 -91.000 HIS 62 0.900 15.316 2.358 24.158 -99.200 -91.000 TRP 72 1.040 6.959 2.384 24.369 -99.200 -91.000 TRP6 72 1.020 5.659 1.769 22.467 -99.200 -91.000 TYR 82 0.840 8.407 -1.931 17.575 -99.200 -91.000 HIS 111 0.900 4.668 13.738 17.520 -99.200 -91.000 HIS 113 0.900 2.633 12.420 21.435 -99.200 -91.000 HIS 116 0.900 6.050 9.786 15.499 -99.200 -91.000 TYR 122 0.840 20.083 4.342 20.799 -99.200 -91.000 PHE 123 1.000 20.399 10.388 16.793 -99.200 -91.000 HIS 131 0.900 6.429 24.318 18.975 -99.200 -91.000 PHE 135 1.000 13.294 20.374 26.470 -99.200 -91.000 TYR 141 0.840 2.143 14.292 29.904 -99.200 -91.000 PHE 142 1.000 12.367 12.875 33.901 -99.200 -91.000 HIS 147 0.900 5.064 6.224 34.391 -99.200 -91.000 TYR 151 0.840 4.457 14.169 25.194 -99.200 -91.000 TRP 159 1.040 14.558 11.265 25.038 -99.200 -91.000 TRP6 159 1.020 12.502 12.358 24.652 -99.200 -91.000 TRP 166 1.040 17.713 18.690 24.306 -99.200 -91.000 TRP6 166 1.020 15.938 17.440 23.316 -99.200 -91.000 PHE 187 1.000 3.464 20.871 9.293 -99.200 -91.000 HIS 191 0.900 -0.350 13.470 17.434 -99.200 -91.000 PHE 208 1.000 8.873 11.577 -1.807 -99.200 -91.000 TYR 216 0.840 -2.356 9.282 14.210 -99.200 -91.000 TYR 221 0.840 -3.659 15.338 2.412 -99.200 -91.000 HIS 232 0.900 -2.394 19.921 23.380 -99.200 -91.000 TYR 237 0.840 -5.787 16.473 12.891 -99.200 -91.000 HIS 243 0.900 0.824 25.732 6.232 -99.200 -91.000 TYR 247 0.840 5.361 23.935 2.163 -99.200 -91.000 PHE 257 1.000 -1.029 10.995 3.915 -99.200 -91.000 HIS 259 0.900 2.284 6.345 13.115 -99.200 -91.000 PHE 264 1.000 7.090 2.456 5.809 -99.200 -91.000 PHE 274 1.000 20.335 6.887 -2.947 -99.200 -91.000 TYR 275 0.840 11.563 7.450 -2.798 -99.200 -91.000