============================================================================= 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. TYR 13 0.840 53.505 19.045 -12.398 -99.200 -91.000 TYR 14 0.840 50.093 22.894 -12.372 -99.200 -91.000 PHE 17 1.000 50.551 20.786 -19.223 -99.200 -91.000 TRP 22 1.040 56.410 16.680 -22.937 -99.200 -91.000 TRP6 22 1.020 54.687 18.177 -22.297 -99.200 -91.000 PHE 27 1.000 60.366 20.960 -11.175 -99.200 -91.000 HIS 34 0.900 49.274 11.507 -13.669 -99.200 -91.000 PHE 48 1.000 53.043 12.824 -14.218 -99.200 -91.000 PHE 51 1.000 48.427 11.951 -18.578 -99.200 -91.000 TYR 58 0.840 43.354 15.405 -26.802 -99.200 -91.000 TYR 80 0.840 44.041 22.631 -14.064 -99.200 -91.000 HIS 83 0.900 42.345 29.383 -21.729 -99.200 -91.000 TYR 86 0.840 40.358 15.859 -31.219 -99.200 -91.000 HIS 87 0.900 47.754 18.161 -31.860 -99.200 -91.000 TYR 101 0.840 40.977 21.177 -24.949 -99.200 -91.000 PHE 108 1.000 43.026 18.934 -4.137 -99.200 -91.000 PHE 109 1.000 50.444 19.156 -7.986 -99.200 -91.000 TYR 122 0.840 40.090 15.047 -8.210 -99.200 -91.000 TYR 123 0.840 39.928 16.587 -17.304 -99.200 -91.000 TRP 128 1.040 38.556 17.940 -23.042 -99.200 -91.000 TRP6 128 1.020 38.833 15.877 -24.160 -99.200 -91.000