============================================================================= 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. TYR 4 0.840 -7.535 24.882 48.499 -99.200 -91.000 TYR 14 0.840 3.486 13.211 41.826 -99.200 -91.000 HIS 48 0.900 14.925 18.410 33.715 -99.200 -91.000 PHE 52 1.000 13.126 18.824 40.069 -99.200 -91.000 HIS 76 0.900 11.363 36.080 41.505 -99.200 -91.000 PHE 78 1.000 3.000 29.870 38.178 -99.200 -91.000 TRP 85 1.040 -2.297 22.859 32.074 -99.200 -91.000 TRP6 85 1.020 -2.998 22.614 34.332 -99.200 -91.000 PHE 94 1.000 12.272 22.006 44.369 -99.200 -91.000 PHE 97 1.000 14.804 16.104 44.636 -99.200 -91.000 HIS 101 0.900 16.454 16.080 52.166 -99.200 -91.000 TRP 129 1.040 -4.075 29.796 32.562 -99.200 -91.000 TRP6 129 1.020 -3.280 27.623 33.095 -99.200 -91.000 TRP 136 1.040 -6.780 19.582 38.733 -99.200 -91.000 TRP6 136 1.020 -4.425 19.319 38.853 -99.200 -91.000 PHE 139 1.000 -1.547 17.488 35.020 -99.200 -91.000 PHE 142 1.000 0.816 21.339 27.573 -99.200 -91.000 PHE 143 1.000 1.951 17.930 31.028 -99.200 -91.000 HIS 144 0.900 -4.763 11.443 25.655 -99.200 -91.000