============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 4 1.000 -0.537 13.252 84.047 -99.200 -91.000 TYR 18 0.840 6.404 7.235 100.303 -99.200 -91.000 TYR 24 0.840 9.224 17.677 105.036 -99.200 -91.000 TYR 25 0.840 4.662 11.310 108.974 -99.200 -91.000 HIS 31 0.900 -1.317 14.260 97.907 -99.200 -91.000 PHE 67 1.000 1.245 11.038 88.735 -99.200 -91.000 TYR 88 0.840 4.248 26.597 80.251 -99.200 -91.000 PHE 104 1.000 4.262 15.190 91.560 -99.200 -91.000 PHE 114 1.000 16.670 24.921 92.312 -99.200 -91.000 TRP 126 1.040 18.570 24.175 75.502 -99.200 -91.000 TRP6 126 1.020 16.723 25.014 76.723 -99.200 -91.000 TRP 138 1.040 16.388 18.611 92.673 -99.200 -91.000 TRP6 138 1.020 16.927 18.968 90.393 -99.200 -91.000 TYR 139 0.840 23.601 15.850 90.777 -99.200 -91.000 PHE 153 1.000 15.023 21.604 83.268 -99.200 -91.000 TRP 158 1.040 10.356 12.010 76.608 -99.200 -91.000 TRP6 158 1.020 9.807 12.925 78.717 -99.200 -91.000 TYR 161 0.840 12.954 10.454 83.357 -99.200 -91.000