============================================================================= 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 37.758 2.838 17.003 -99.200 -91.000 TYR 18 0.840 43.565 20.017 15.254 -99.200 -91.000 TYR 24 0.840 33.798 25.340 11.186 -99.200 -91.000 TYR 25 0.840 39.244 28.281 17.858 -99.200 -91.000 HIS 31 0.900 35.426 16.204 20.555 -99.200 -91.000 PHE 67 1.000 39.556 7.969 16.479 -99.200 -91.000 TYR 88 0.840 26.665 1.414 8.667 -99.200 -91.000 PHE 104 1.000 35.650 11.355 13.460 -99.200 -91.000 PHE 114 1.000 28.207 13.833 -0.529 -99.200 -91.000 TRP 126 1.040 30.597 -1.842 -5.791 -99.200 -91.000 TRP6 126 1.020 29.471 -1.103 -3.846 -99.200 -91.000 TRP 138 1.040 34.219 14.555 1.412 -99.200 -91.000 TRP6 138 1.020 33.930 12.462 0.339 -99.200 -91.000 TYR 139 0.840 37.714 14.912 -5.918 -99.200 -91.000 PHE 153 1.000 31.620 5.334 0.684 -99.200 -91.000 TRP 158 1.040 40.608 -2.082 5.060 -99.200 -91.000 TRP6 158 1.020 39.636 -0.114 5.934 -99.200 -91.000 TYR 161 0.840 42.232 5.183 4.344 -99.200 -91.000