============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 5 1.000 -18.613 -5.857 21.525 -99.200 -91.000 HIS 6 0.900 -23.132 -11.354 19.080 -99.200 -91.000 TYR 13 0.840 -13.756 -10.628 18.705 -99.200 -91.000 HIS 43 0.900 -2.843 -14.190 40.101 -99.200 -91.000 HIS 46 0.900 -3.337 -12.973 36.093 -99.200 -91.000 PHE 66 1.000 1.344 -14.607 22.379 -99.200 -91.000 PHE 89 1.000 -5.464 -10.603 20.307 -99.200 -91.000 TYR 97 0.840 6.045 -13.300 18.286 -99.200 -91.000 HIS 122 0.900 11.012 -11.656 31.596 -99.200 -91.000 PHE 123 1.000 12.582 -7.198 32.799 -99.200 -91.000 PHE 143 1.000 -6.648 -0.437 33.582 -99.200 -91.000 PHE 144 1.000 1.266 -3.882 31.315 -99.200 -91.000 TYR 149 0.840 7.897 -0.126 40.821 -99.200 -91.000 PHE 162 1.000 10.076 2.208 20.924 -99.200 -91.000 TYR 188 0.840 3.995 -24.736 40.460 -99.200 -91.000 HIS 209 0.900 4.562 0.542 58.401 -99.200 -91.000 TYR 236 0.840 16.368 -8.298 42.828 -99.200 -91.000