============================================================================= 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. TYR 1 0.840 28.409 72.057 9.326 -99.200 -91.000 HIS 10 0.900 24.483 64.641 1.488 -99.200 -91.000 TRP 17 1.040 12.478 67.449 -6.490 -99.200 -91.000 TRP6 17 1.020 10.150 67.796 -6.339 -99.200 -91.000 HIS 19 0.900 15.468 66.432 -0.714 -99.200 -91.000 PHE 20 1.000 13.441 73.392 4.607 -99.200 -91.000 PHE 40 1.000 24.385 43.000 -3.345 -99.200 -91.000 HIS 51 0.900 36.555 34.074 -2.829 -99.200 -91.000 TYR 104 0.840 5.829 40.433 36.273 -99.200 -91.000 TRP 120 1.040 8.075 48.380 23.627 -99.200 -91.000 TRP6 120 1.020 9.566 46.721 24.427 -99.200 -91.000 HIS 125 0.900 -4.203 41.502 22.091 -99.200 -91.000 TYR 127 0.840 3.582 37.047 25.096 -99.200 -91.000 TRP 133 1.040 -0.837 54.513 26.969 -99.200 -91.000 TRP6 133 1.020 0.145 54.683 24.827 -99.200 -91.000 TRP 146 1.040 5.438 67.591 36.348 -99.200 -91.000 TRP6 146 1.020 3.299 66.669 35.918 -99.200 -91.000 TRP 148 1.040 9.355 60.040 33.802 -99.200 -91.000 TRP6 148 1.020 8.812 58.310 32.283 -99.200 -91.000 HIS 182 0.900 18.504 51.441 35.399 -99.200 -91.000 HIS 192 0.900 20.187 59.281 20.434 -99.200 -91.000 TYR 198 0.840 18.787 66.298 13.573 -99.200 -91.000 HIS 216 0.900 15.598 55.518 5.707 -99.200 -91.000 TRP 218 1.040 23.678 58.090 10.218 -99.200 -91.000 TRP6 218 1.020 22.918 56.878 12.112 -99.200 -91.000 PHE 228 1.000 20.649 44.111 24.356 -99.200 -91.000 PHE 237 1.000 16.736 40.720 26.819 -99.200 -91.000 TYR 245 0.840 26.595 24.102 17.676 -99.200 -91.000 HIS 257 0.900 24.646 40.029 10.826 -99.200 -91.000 PHE 259 1.000 28.134 39.415 5.726 -99.200 -91.000 TYR 271 0.840 27.528 62.747 5.920 -99.200 -91.000 TYR 297 0.840 24.914 75.495 8.993 -99.200 -91.000 PHE 302 1.000 14.370 74.166 14.826 -99.200 -91.000 TYR 304 0.840 16.059 82.923 8.043 -99.200 -91.000 PHE 330 1.000 4.597 74.202 9.268 -99.200 -91.000 HIS 333 0.900 -7.645 80.118 10.741 -99.200 -91.000 HIS 378 0.900 23.973 66.139 9.821 -99.200 -91.000 TYR 379 0.840 21.184 67.239 3.277 -99.200 -91.000