============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 1 0.900 -36.927 5.149 12.619 -99.200 -91.000 HIS 2 0.900 -38.352 2.198 6.076 -99.200 -91.000 PHE 6 1.000 -36.482 11.633 -1.145 -99.200 -91.000 PHE 11 1.000 -37.244 20.262 -7.131 -99.200 -91.000 TYR 13 0.840 -33.382 22.187 -9.190 -99.200 -91.000 PHE 54 1.000 -30.348 23.007 1.593 -99.200 -91.000 TYR 55 0.840 -33.817 24.145 -4.700 -99.200 -91.000 HIS 67 0.900 -41.367 13.877 13.379 -99.200 -91.000 TRP 76 1.040 -36.381 17.450 14.562 -99.200 -91.000 TRP6 76 1.020 -36.931 16.333 12.548 -99.200 -91.000 TYR 113 0.840 -16.480 12.217 19.762 -99.200 -91.000 HIS 121 0.900 -6.597 16.279 18.027 -99.200 -91.000 PHE 123 1.000 -4.974 18.106 8.957 -99.200 -91.000 TYR 131 0.840 -8.299 21.551 16.695 -99.200 -91.000 PHE 165 1.000 -19.093 11.261 3.750 -99.200 -91.000 TYR 174 0.840 -1.755 5.866 -0.026 -99.200 -91.000 HIS 178 0.900 -4.204 4.473 4.954 -99.200 -91.000 HIS 185 0.900 -14.044 1.677 11.399 -99.200 -91.000 HIS 198 0.900 -16.503 12.028 -10.323 -99.200 -91.000 HIS 223 0.900 -19.836 -4.187 -6.496 -99.200 -91.000 TYR 234 0.840 -23.206 -1.056 -9.480 -99.200 -91.000 TYR 236 0.840 -22.752 1.303 -20.805 -99.200 -91.000 TYR 238 0.840 -17.793 -1.543 -10.296 -99.200 -91.000