============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 2 1.000 21.753 19.454 34.267 -99.200 -91.000 PHE 8 1.000 13.967 25.491 34.105 -99.200 -91.000 TYR 10 0.840 20.135 25.588 34.329 -99.200 -91.000 HIS 14 0.900 26.719 19.380 38.655 -99.200 -91.000 PHE 15 1.000 24.076 18.646 42.752 -99.200 -91.000 PHE 20 1.000 14.107 35.417 31.350 -99.200 -91.000 PHE 37 1.000 36.753 59.392 49.261 -99.200 -91.000 TYR 47 0.840 43.189 53.063 41.212 -99.200 -91.000 PHE 52 1.000 32.636 52.601 31.912 -99.200 -91.000 PHE 63 1.000 26.095 49.150 57.111 -99.200 -91.000 PHE 66 1.000 20.869 45.563 50.207 -99.200 -91.000 TRP 71 1.040 18.297 37.541 46.693 -99.200 -91.000 TRP6 71 1.020 20.367 36.410 46.760 -99.200 -91.000 HIS 73 0.900 13.384 30.896 49.781 -99.200 -91.000 TYR 77 0.840 23.451 40.677 50.861 -99.200 -91.000 PHE 88 1.000 29.575 52.196 27.828 -99.200 -91.000 HIS 89 0.900 31.578 59.637 26.514 -99.200 -91.000 TYR 99 0.840 33.908 50.902 36.598 -99.200 -91.000 TRP 104 1.040 35.811 44.691 50.628 -99.200 -91.000 TRP6 104 1.020 36.673 46.841 50.107 -99.200 -91.000 TYR 124 0.840 33.458 37.310 54.052 -99.200 -91.000 HIS 131 0.900 29.071 48.064 67.002 -99.200 -91.000 HIS 136 0.900 28.250 60.798 68.533 -99.200 -91.000 PHE 137 1.000 22.986 56.533 63.769 -99.200 -91.000 TYR 143 0.840 40.446 38.697 54.031 -99.200 -91.000 PHE 148 1.000 38.747 46.101 54.270 -99.200 -91.000 PHE 152 1.000 24.849 60.259 59.450 -99.200 -91.000 PHE 170 1.000 19.993 57.274 48.651 -99.200 -91.000 TRP 177 1.040 35.584 44.669 32.486 -99.200 -91.000 TRP6 177 1.020 37.708 45.670 32.753 -99.200 -91.000 TYR 179 0.840 39.295 39.811 32.483 -99.200 -91.000 PHE 193 1.000 33.461 48.242 30.150 -99.200 -91.000 TYR 196 0.840 20.853 44.462 39.011 -99.200 -91.000 TRP 213 1.040 39.641 54.305 52.321 -99.200 -91.000 TRP6 213 1.020 38.324 52.452 51.713 -99.200 -91.000 TYR 224 0.840 48.780 42.806 48.437 -99.200 -91.000 TYR 225 0.840 45.362 43.278 44.386 -99.200 -91.000