============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 -0.373 14.011 6.913 -99.200 -91.000 TRP 3 1.040 -4.952 11.096 7.315 -99.200 -91.000 TRP6 3 1.020 -3.908 10.613 5.240 -99.200 -91.000 TRP 5 1.040 -1.223 20.889 6.079 -99.200 -91.000 TRP6 5 1.020 0.152 19.368 4.912 -99.200 -91.000 PHE 10 1.000 -3.309 16.475 -2.415 -99.200 -91.000 HIS 15 0.900 -5.026 33.685 -5.332 -99.200 -91.000 TRP 30 1.040 -8.755 22.466 -6.783 -99.200 -91.000 TRP6 30 1.020 -10.817 23.054 -7.744 -99.200 -91.000 TYR 40 0.840 -7.462 21.477 -21.039 -99.200 -91.000 HIS 41 0.900 -14.908 25.401 -24.552 -99.200 -91.000 TRP 46 1.040 -13.603 13.771 -20.691 -99.200 -91.000 TRP6 46 1.020 -14.441 15.190 -19.008 -99.200 -91.000 TYR 50 0.840 -0.372 17.682 -11.345 -99.200 -91.000 HIS 52 0.900 0.425 11.009 -18.943 -99.200 -91.000 TYR 61 0.840 -4.306 22.786 -25.233 -99.200 -91.000 PHE 78 1.000 -15.841 23.418 -5.544 -99.200 -91.000 HIS 80 0.900 -7.300 26.120 -7.248 -99.200 -91.000 TYR 86 0.840 -13.454 31.117 -22.868 -99.200 -91.000 HIS 96 0.900 -18.050 10.175 -0.834 -99.200 -91.000 TYR 97 0.840 -13.197 14.889 1.909 -99.200 -91.000 HIS 136 0.900 -31.604 31.415 -7.296 -99.200 -91.000 HIS 137 0.900 -28.048 33.526 -7.458 -99.200 -91.000 PHE 138 1.000 -23.824 27.885 -11.718 -99.200 -91.000 TYR 143 0.840 -29.091 16.802 -18.015 -99.200 -91.000 PHE 145 1.000 -28.551 12.338 -13.157 -99.200 -91.000 PHE 162 1.000 -33.429 24.558 -9.788 -99.200 -91.000