============================================================================= 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. PHE 2 1.000 52.288 -49.136 7.334 -99.200 -91.000 TYR 30 0.840 57.136 -45.108 27.664 -99.200 -91.000 HIS 31 0.900 55.855 -44.525 22.813 -99.200 -91.000 HIS 53 0.900 50.522 -27.725 6.366 -99.200 -91.000 HIS 56 0.900 52.297 -31.791 10.160 -99.200 -91.000 PHE 92 1.000 55.899 -34.824 6.229 -99.200 -91.000 TYR 106 0.840 40.703 -30.097 8.863 -99.200 -91.000 TYR 107 0.840 34.188 -24.683 8.936 -99.200 -91.000 TYR 116 0.840 36.995 -42.802 -5.716 -99.200 -91.000 HIS 118 0.900 41.201 -34.808 0.776 -99.200 -91.000 PHE 119 1.000 40.821 -39.557 2.498 -99.200 -91.000 HIS 125 0.900 48.900 -36.026 -7.988 -99.200 -91.000 TYR 133 0.840 42.322 -39.985 12.547 -99.200 -91.000 PHE 181 1.000 41.911 -50.816 3.474 -99.200 -91.000 PHE 194 1.000 38.637 -51.298 14.624 -99.200 -91.000 HIS 200 0.900 43.942 -56.371 10.185 -99.200 -91.000 HIS 225 0.900 46.479 -66.629 22.945 -99.200 -91.000 PHE 226 1.000 40.268 -62.206 20.400 -99.200 -91.000 HIS 240 0.900 42.229 -47.945 27.020 -99.200 -91.000 PHE 244 1.000 40.557 -39.623 24.495 -99.200 -91.000 TRP 254 1.040 49.078 -32.974 35.094 -99.200 -91.000 TRP6 254 1.020 48.484 -34.870 36.405 -99.200 -91.000 HIS 288 0.900 41.674 -49.404 37.479 -99.200 -91.000