============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 11 0.840 12.762 0.768 31.948 -99.200 -91.000 HIS 14 0.900 15.352 3.767 28.688 -99.200 -91.000 PHE 22 1.000 13.188 -4.229 30.503 -99.200 -91.000 HIS 41 0.900 17.946 0.825 32.688 -99.200 -91.000 TYR 46 0.840 25.232 0.034 24.516 -99.200 -91.000 HIS 52 0.900 27.494 -12.600 31.080 -99.200 -91.000 PHE 67 1.000 26.903 1.850 40.534 -99.200 -91.000 PHE 79 1.000 7.799 -5.581 37.534 -99.200 -91.000 HIS 88 0.900 9.688 -8.502 27.065 -99.200 -91.000 HIS 120 0.900 20.101 0.556 36.599 -99.200 -91.000 HIS 123 0.900 24.092 -3.630 42.154 -99.200 -91.000 TRP 148 1.040 23.568 5.254 28.974 -99.200 -91.000 TRP6 148 1.020 23.008 4.278 26.879 -99.200 -91.000 PHE 162 1.000 36.131 10.352 31.958 -99.200 -91.000 HIS 174 0.900 28.986 10.070 20.337 -99.200 -91.000 PHE 183 1.000 32.727 11.304 23.561 -99.200 -91.000 PHE 187 1.000 37.361 12.271 25.310 -99.200 -91.000 TYR 200 0.840 28.968 -0.483 21.555 -99.200 -91.000 HIS 201 0.900 22.927 7.148 18.669 -99.200 -91.000 TYR 213 0.840 22.319 2.581 14.024 -99.200 -91.000 TYR 218 0.840 35.413 13.622 14.263 -99.200 -91.000 TYR 228 0.840 31.190 -3.696 11.093 -99.200 -91.000 PHE 239 1.000 23.034 -1.278 10.428 -99.200 -91.000 TYR 261 0.840 20.431 6.096 1.273 -99.200 -91.000 TYR 267 0.840 15.217 10.383 -10.615 -99.200 -91.000 PHE 281 1.000 19.374 12.637 -17.565 -99.200 -91.000 HIS 294 0.900 18.184 21.933 2.396 -99.200 -91.000 PHE 323 1.000 9.645 4.409 -14.923 -99.200 -91.000 HIS 340 0.900 0.060 17.510 3.594 -99.200 -91.000