============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 29 1.000 10.687 18.820 7.048 -99.200 -91.000 HIS 40 0.900 5.115 7.643 -14.245 -99.200 -91.000 HIS 62 0.900 7.945 14.656 -27.812 -99.200 -91.000 TYR 72 0.840 17.157 24.667 -13.844 -99.200 -91.000 HIS 73 0.900 15.042 22.247 -21.869 -99.200 -91.000 HIS 144 0.900 21.610 1.683 4.639 -99.200 -91.000 PHE 171 1.000 10.666 -14.708 -6.265 -99.200 -91.000 TRP 174 1.040 10.088 -19.406 -3.199 -99.200 -91.000 TRP6 174 1.020 9.204 -19.140 -5.382 -99.200 -91.000 HIS 181 0.900 11.404 -23.890 -12.729 -99.200 -91.000 HIS 190 0.900 9.246 -6.337 -0.558 -99.200 -91.000 TRP 193 1.040 9.901 -2.603 3.045 -99.200 -91.000 TRP6 193 1.020 9.749 -0.639 4.356 -99.200 -91.000 HIS 217 0.900 33.509 -0.117 4.191 -99.200 -91.000 PHE 220 1.000 25.573 4.317 9.286 -99.200 -91.000 TYR 224 0.840 32.254 -3.753 2.605 -99.200 -91.000 HIS 232 0.900 11.920 -8.718 11.500 -99.200 -91.000 HIS 238 0.900 11.720 -0.815 9.834 -99.200 -91.000 PHE 243 1.000 25.774 0.172 20.883 -99.200 -91.000 TRP 267 1.040 20.558 13.599 11.788 -99.200 -91.000 TRP6 267 1.020 19.952 11.370 12.317 -99.200 -91.000 PHE 280 1.000 5.240 -3.009 21.045 -99.200 -91.000 HIS 281 0.900 -2.412 -0.641 23.438 -99.200 -91.000 TRP 286 1.040 8.499 -7.517 16.163 -99.200 -91.000 TRP6 286 1.020 9.517 -5.914 17.572 -99.200 -91.000 PHE 288 1.000 14.867 -10.858 14.589 -99.200 -91.000 PHE 296 1.000 17.386 -16.032 -2.251 -99.200 -91.000 TYR 316 0.840 26.677 -5.840 -6.053 -99.200 -91.000 PHE 327 1.000 13.384 -11.650 -13.932 -99.200 -91.000 PHE 334 1.000 14.878 -13.640 -9.153 -99.200 -91.000 HIS 346 0.900 33.439 -13.359 -9.364 -99.200 -91.000 TRP 351 1.040 36.921 -1.538 -14.485 -99.200 -91.000 TRP6 351 1.020 37.386 0.617 -15.355 -99.200 -91.000 TRP 367 1.040 35.303 -3.553 -18.683 -99.200 -91.000 TRP6 367 1.020 34.726 -4.979 -16.883 -99.200 -91.000