============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 14 1.040 9.057 -1.979 17.143 -99.200 -91.000 TRP6 14 1.020 10.939 -2.320 18.534 -99.200 -91.000 TYR 18 0.840 12.683 -3.579 12.969 -99.200 -91.000 PHE 32 1.000 22.063 -4.947 29.960 -99.200 -91.000 PHE 33 1.000 26.149 -5.872 27.060 -99.200 -91.000 PHE 36 1.000 22.521 -1.452 35.027 -99.200 -91.000 TYR 42 0.840 25.113 -13.684 31.967 -99.200 -91.000 PHE 43 1.000 26.091 -10.872 25.535 -99.200 -91.000 PHE 46 1.000 29.676 -7.831 24.448 -99.200 -91.000 HIS 48 0.900 37.670 -9.918 31.061 -99.200 -91.000 HIS 64 0.900 21.806 -10.213 23.146 -99.200 -91.000 HIS 80 0.900 -2.468 -8.664 16.011 -99.200 -91.000 HIS 96 0.900 18.047 -15.007 26.073 -99.200 -91.000 HIS 100 0.900 21.797 -17.906 24.906 -99.200 -91.000 TYR 106 0.840 22.563 -9.472 34.934 -99.200 -91.000 PHE 107 1.000 15.664 -11.925 29.673 -99.200 -91.000 PHE 122 1.000 10.126 7.984 19.487 -99.200 -91.000 PHE 126 1.000 8.045 7.983 26.250 -99.200 -91.000 TRP 134 1.040 6.609 2.840 24.487 -99.200 -91.000 TRP6 134 1.020 8.085 1.269 23.532 -99.200 -91.000 TYR 142 0.840 11.296 -9.221 35.397 -99.200 -91.000 HIS 144 0.900 3.516 -13.361 28.713 -99.200 -91.000 TYR 149 0.840 15.201 -16.932 33.180 -99.200 -91.000 TRP 154 1.040 17.254 -18.951 37.666 -99.200 -91.000 TRP6 154 1.020 19.041 -19.110 36.127 -99.200 -91.000