============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 36 0.840 27.478 81.330 53.999 -99.200 -91.000 PHE 43 1.000 40.409 70.480 59.746 -99.200 -91.000 HIS 44 0.900 43.467 70.805 55.393 -99.200 -91.000 HIS 61 0.900 21.764 83.049 53.276 -99.200 -91.000 PHE 89 1.000 21.316 64.497 62.810 -99.200 -91.000 HIS 93 0.900 18.757 70.213 55.706 -99.200 -91.000 HIS 94 0.900 11.735 67.132 58.642 -99.200 -91.000 TYR 103 0.840 16.839 62.708 32.901 -99.200 -91.000 PHE 118 1.000 12.989 54.494 41.096 -99.200 -91.000 TYR 129 0.840 21.977 54.040 58.266 -99.200 -91.000 PHE 154 1.000 8.497 65.243 65.501 -99.200 -91.000 PHE 164 1.000 0.074 58.574 51.254 -99.200 -91.000 HIS 173 0.900 2.018 52.694 42.859 -99.200 -91.000 HIS 178 0.900 10.266 49.100 57.796 -99.200 -91.000 PHE 185 1.000 8.005 44.599 68.340 -99.200 -91.000 TRP 190 1.040 8.765 53.316 58.842 -99.200 -91.000 TRP6 190 1.020 8.979 55.015 57.236 -99.200 -91.000 TYR 201 0.840 -2.067 62.980 50.628 -99.200 -91.000 TYR 208 0.840 5.472 46.181 52.805 -99.200 -91.000 HIS 210 0.900 8.018 42.074 53.247 -99.200 -91.000 HIS 217 0.900 9.327 43.632 41.515 -99.200 -91.000 PHE 225 1.000 9.956 50.142 42.587 -99.200 -91.000 PHE 234 1.000 14.908 47.916 55.443 -99.200 -91.000 PHE 267 1.000 16.723 71.629 47.529 -99.200 -91.000 HIS 271 0.900 29.487 65.378 41.882 -99.200 -91.000 HIS 298 0.900 12.102 73.320 49.588 -99.200 -91.000 HIS 302 0.900 6.143 75.037 41.501 -99.200 -91.000 HIS 315 0.900 24.628 67.740 28.333 -99.200 -91.000