============================================================================= 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 7 1.000 1.923 11.568 26.327 -99.200 -91.000 PHE 26 1.000 9.565 9.983 31.555 -99.200 -91.000 PHE 31 1.000 14.506 0.572 42.448 -99.200 -91.000 HIS 32 0.900 12.019 6.260 46.513 -99.200 -91.000 PHE 34 1.000 14.180 -0.955 51.649 -99.200 -91.000 PHE 43 1.000 -1.136 14.287 37.362 -99.200 -91.000 PHE 57 1.000 6.149 11.732 28.469 -99.200 -91.000 TRP 60 1.040 -4.014 10.534 35.542 -99.200 -91.000 TRP6 60 1.020 -5.158 11.023 37.539 -99.200 -91.000 TYR 68 0.840 -6.732 0.007 45.557 -99.200 -91.000 HIS 69 0.900 -10.371 -5.143 36.798 -99.200 -91.000 TYR 75 0.840 -7.529 5.702 38.964 -99.200 -91.000 TYR 76 0.840 -9.676 1.830 31.179 -99.200 -91.000 TYR 86 0.840 5.906 -8.765 30.904 -99.200 -91.000 PHE 94 1.000 3.692 -12.399 28.698 -99.200 -91.000 TRP 100 1.040 -4.310 -4.623 34.116 -99.200 -91.000 TRP6 100 1.020 -6.125 -3.285 34.783 -99.200 -91.000 PHE 131 1.000 13.215 -9.046 23.879 -99.200 -91.000 TYR 137 0.840 0.354 -10.022 24.300 -99.200 -91.000 PHE 145 1.000 8.611 -6.871 25.226 -99.200 -91.000 PHE 160 1.000 7.443 6.529 31.357 -99.200 -91.000