============================================================================= 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 -39.285 31.193 -0.924 -99.200 -91.000 TYR 18 0.840 -21.489 27.699 0.932 -99.200 -91.000 TYR 24 0.840 -21.304 16.588 4.975 -99.200 -91.000 TYR 25 0.840 -16.298 20.033 -1.623 -99.200 -91.000 HIS 31 0.900 -28.861 22.486 -4.327 -99.200 -91.000 PHE 67 1.000 -33.969 30.218 -0.285 -99.200 -91.000 TYR 88 0.840 -46.212 22.636 7.522 -99.200 -91.000 PHE 104 1.000 -32.981 25.130 2.733 -99.200 -91.000 PHE 114 1.000 -34.673 17.033 16.666 -99.200 -91.000 TRP 126 1.040 -46.933 27.556 21.938 -99.200 -91.000 TRP6 126 1.020 -46.944 26.158 20.027 -99.200 -91.000 TRP 138 1.040 -30.824 22.407 14.697 -99.200 -91.000 TRP6 138 1.020 -32.725 23.240 15.813 -99.200 -91.000 TYR 139 0.840 -28.847 25.510 21.791 -99.200 -91.000 PHE 153 1.000 -40.251 24.796 15.601 -99.200 -91.000 TRP 158 1.040 -42.144 36.280 11.066 -99.200 -91.000 TRP6 158 1.020 -40.935 34.419 10.249 -99.200 -91.000 TYR 161 0.840 -35.033 34.062 11.832 -99.200 -91.000