============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 4 1.000 -4.307 22.494 9.272 -99.200 -91.000 HIS 5 0.900 -3.967 29.870 11.001 -99.200 -91.000 TYR 12 0.840 1.372 22.716 13.893 -99.200 -91.000 HIS 42 0.900 16.632 14.897 -3.205 -99.200 -91.000 HIS 45 0.900 14.198 14.729 0.182 -99.200 -91.000 PHE 65 1.000 15.025 14.576 14.982 -99.200 -91.000 PHE 71 1.000 23.485 11.553 10.327 -99.200 -91.000 TYR 80 0.840 21.832 14.664 6.018 -99.200 -91.000 PHE 100 1.000 6.970 16.627 14.586 -99.200 -91.000 TYR 108 0.840 16.212 10.523 19.555 -99.200 -91.000 HIS 133 0.900 21.936 4.201 8.574 -99.200 -91.000 PHE 134 1.000 19.555 0.250 7.130 -99.200 -91.000 PHE 154 1.000 2.590 8.828 0.553 -99.200 -91.000 PHE 155 1.000 9.881 5.970 5.131 -99.200 -91.000 TYR 160 0.840 14.012 -2.315 -2.884 -99.200 -91.000 PHE 173 1.000 8.326 -3.279 16.697 -99.200 -91.000 TYR 199 0.840 28.068 17.030 0.485 -99.200 -91.000 HIS 220 0.900 16.725 -2.378 -20.889 -99.200 -91.000 TYR 247 0.840 26.015 -2.339 -1.420 -99.200 -91.000