============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 2 1.000 -29.819 42.380 -0.713 -99.200 -91.000 PHE 20 1.000 -16.523 22.624 3.527 -99.200 -91.000 PHE 26 1.000 1.264 19.605 6.768 -99.200 -91.000 TYR 37 0.840 -4.426 38.941 6.162 -99.200 -91.000 PHE 49 1.000 -27.796 37.282 -1.787 -99.200 -91.000 TYR 52 0.840 -24.651 30.116 1.816 -99.200 -91.000 HIS 56 0.900 -30.924 29.047 1.517 -99.200 -91.000 PHE 58 1.000 -34.215 25.789 -8.070 -99.200 -91.000 HIS 76 0.900 -13.867 36.955 -5.229 -99.200 -91.000 TYR 78 0.840 -6.924 30.666 -7.871 -99.200 -91.000 HIS 82 0.900 -1.954 32.499 -7.205 -99.200 -91.000 HIS 101 0.900 1.824 41.375 -2.447 -99.200 -91.000 PHE 104 1.000 0.076 35.887 6.430 -99.200 -91.000 PHE 121 1.000 -11.502 22.480 -8.943 -99.200 -91.000 HIS 167 0.900 -6.770 54.468 -24.631 -99.200 -91.000 HIS 177 0.900 -15.083 44.170 -17.575 -99.200 -91.000 HIS 179 0.900 -14.443 34.273 -21.839 -99.200 -91.000 TYR 210 0.840 -30.135 37.093 -11.086 -99.200 -91.000 PHE 218 1.000 -22.332 42.123 -8.710 -99.200 -91.000 TYR 234 0.840 -18.367 48.155 -19.572 -99.200 -91.000 TYR 277 0.840 -25.635 45.516 -2.965 -99.200 -91.000