============================================================================= 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. PHE 12 1.000 -4.887 8.936 40.233 -99.200 -91.000 TYR 17 0.840 -0.985 12.220 43.013 -99.200 -91.000 PHE 18 1.000 -4.642 15.377 41.383 -99.200 -91.000 TRP 23 1.040 1.821 13.176 46.278 -99.200 -91.000 TRP6 23 1.020 1.983 10.920 46.966 -99.200 -91.000 TYR 24 0.840 8.306 16.000 51.142 -99.200 -91.000 TYR 28 0.840 16.673 13.355 39.266 -99.200 -91.000 TYR 40 0.840 16.409 20.250 40.152 -99.200 -91.000 TYR 58 0.840 11.563 24.017 46.631 -99.200 -91.000 HIS 59 0.900 10.968 22.083 39.248 -99.200 -91.000 TYR 60 0.840 17.878 24.939 46.733 -99.200 -91.000 PHE 68 1.000 12.447 26.194 38.568 -99.200 -91.000 TYR 69 0.840 8.367 27.739 46.189 -99.200 -91.000 TYR 82 0.840 -4.922 14.479 36.193 -99.200 -91.000 PHE 86 1.000 5.171 25.820 32.797 -99.200 -91.000 TYR 104 0.840 1.662 21.534 26.586 -99.200 -91.000 TYR 105 0.840 2.998 20.242 34.999 -99.200 -91.000 PHE 107 1.000 1.697 14.846 37.892 -99.200 -91.000 TYR 111 0.840 1.711 1.910 43.118 -99.200 -91.000 HIS 120 0.900 5.704 10.791 30.840 -99.200 -91.000 HIS 124 0.900 5.256 19.536 25.323 -99.200 -91.000 TYR 134 0.840 9.041 7.320 32.735 -99.200 -91.000 PHE 160 1.000 14.372 2.842 42.473 -99.200 -91.000 PHE 163 1.000 13.130 5.818 37.929 -99.200 -91.000 TYR 173 0.840 11.903 18.708 50.079 -99.200 -91.000