============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 1 0.840 37.233 30.956 -5.382 -99.200 -91.000 TYR 18 0.840 36.911 12.553 -14.334 -99.200 -91.000 TYR 28 0.840 45.831 2.290 -3.282 -99.200 -91.000 PHE 30 1.000 48.061 6.049 7.519 -99.200 -91.000 HIS 32 0.900 48.131 14.148 -1.787 -99.200 -91.000 TYR 34 0.840 48.764 18.641 -0.779 -99.200 -91.000 HIS 36 0.900 52.644 11.339 7.750 -99.200 -91.000 PHE 38 1.000 50.611 17.963 10.104 -99.200 -91.000 TYR 43 0.840 46.518 21.869 3.062 -99.200 -91.000 PHE 53 1.000 38.936 21.175 4.527 -99.200 -91.000 TYR 59 0.840 42.946 16.641 14.079 -99.200 -91.000 TRP 65 1.040 42.633 9.162 3.036 -99.200 -91.000 TRP6 65 1.020 41.807 7.332 4.287 -99.200 -91.000 PHE 68 1.000 42.825 20.146 6.394 -99.200 -91.000 HIS 80 0.900 26.181 16.846 -0.243 -99.200 -91.000 PHE 83 1.000 21.916 6.331 4.464 -99.200 -91.000 PHE 85 1.000 31.489 0.479 -2.023 -99.200 -91.000 HIS 99 0.900 34.248 12.045 -2.105 -99.200 -91.000 HIS 102 0.900 33.194 9.897 3.307 -99.200 -91.000 PHE 104 1.000 34.576 9.633 9.514 -99.200 -91.000 TYR 116 0.840 34.925 19.236 8.536 -99.200 -91.000 PHE 125 1.000 50.586 24.244 1.818 -99.200 -91.000 TYR 135 0.840 43.835 31.347 -3.317 -99.200 -91.000