============================================================================= 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. PHE 5 1.000 51.392 16.980 26.052 -99.200 -91.000 TYR 8 0.840 49.384 18.969 31.369 -99.200 -91.000 TYR 30 0.840 25.680 18.196 14.386 -99.200 -91.000 TRP 39 1.040 23.127 26.425 23.055 -99.200 -91.000 TRP6 39 1.020 23.120 24.232 22.166 -99.200 -91.000 PHE 41 1.000 31.935 26.231 29.761 -99.200 -91.000 PHE 54 1.000 33.082 22.013 38.772 -99.200 -91.000 TRP 57 1.040 23.647 15.060 32.690 -99.200 -91.000 TRP6 57 1.020 22.469 16.397 31.131 -99.200 -91.000 TRP 62 1.040 17.202 15.764 27.164 -99.200 -91.000 TRP6 62 1.020 19.371 15.158 26.434 -99.200 -91.000 PHE 64 1.000 21.252 22.479 33.201 -99.200 -91.000 TRP 76 1.040 30.114 31.572 29.773 -99.200 -91.000 TRP6 76 1.020 30.403 30.544 27.660 -99.200 -91.000 TYR 87 0.840 24.009 33.291 40.401 -99.200 -91.000 TYR 96 0.840 19.445 35.145 24.536 -99.200 -91.000 TYR 97 0.840 21.118 30.031 26.201 -99.200 -91.000 TYR 98 0.840 14.529 31.362 32.019 -99.200 -91.000 HIS 104 0.900 11.315 26.856 28.945 -99.200 -91.000 TYR 111 0.840 21.697 28.211 43.218 -99.200 -91.000 TYR 113 0.840 18.747 27.408 35.622 -99.200 -91.000 PHE 115 1.000 21.002 21.617 28.372 -99.200 -91.000 TYR 125 0.840 25.700 10.421 22.666 -99.200 -91.000 HIS 131 0.900 20.408 11.132 32.772 -99.200 -91.000