============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 10 0.840 48.723 21.816 2.185 -99.200 -91.000 PHE 30 1.000 39.598 25.647 16.611 -99.200 -91.000 PHE 31 1.000 33.454 32.163 16.266 -99.200 -91.000 TYR 33 0.840 30.303 35.347 18.270 -99.200 -91.000 PHE 34 1.000 37.979 37.741 21.130 -99.200 -91.000 HIS 37 0.900 43.006 40.757 10.521 -99.200 -91.000 HIS 40 0.900 37.380 43.887 8.419 -99.200 -91.000 HIS 48 0.900 34.150 29.462 -1.076 -99.200 -91.000 PHE 52 1.000 31.675 25.178 2.581 -99.200 -91.000 TYR 57 0.840 30.727 18.983 8.952 -99.200 -91.000 HIS 62 0.900 34.468 33.094 21.088 -99.200 -91.000 TRP 65 1.040 43.042 31.970 22.985 -99.200 -91.000 TRP6 65 1.020 42.808 33.555 21.252 -99.200 -91.000 HIS 93 0.900 21.453 41.423 13.898 -99.200 -91.000 PHE 95 1.000 32.377 37.706 13.929 -99.200 -91.000 TRP 114 1.040 23.007 42.729 21.577 -99.200 -91.000 TRP6 114 1.020 23.365 40.847 20.190 -99.200 -91.000 PHE 121 1.000 20.251 36.520 16.653 -99.200 -91.000 TYR 130 0.840 24.327 32.597 27.850 -99.200 -91.000 PHE 149 1.000 43.020 19.104 18.625 -99.200 -91.000 TYR 163 0.840 45.258 18.025 4.444 -99.200 -91.000 PHE 167 1.000 42.209 32.115 5.670 -99.200 -91.000 TRP 170 1.040 39.874 38.171 5.419 -99.200 -91.000 TRP6 170 1.020 41.112 36.896 6.988 -99.200 -91.000