============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. HIS 5 0.900 -28.491 14.446 9.966 -99.200 -91.000 PHE 6 1.000 -24.394 8.406 11.372 -99.200 -91.000 PHE 10 1.000 -20.238 14.795 -7.257 -99.200 -91.000 PHE 13 1.000 -17.027 23.511 -5.961 -99.200 -91.000 TYR 15 0.840 -13.350 26.469 -9.242 -99.200 -91.000 PHE 16 1.000 -17.061 27.162 -17.042 -99.200 -91.000 TYR 25 0.840 -15.408 18.233 -13.631 -99.200 -91.000 TYR 29 0.840 -16.692 11.789 -5.306 -99.200 -91.000 TYR 31 0.840 -19.236 10.109 6.966 -99.200 -91.000 TYR 36 0.840 -15.135 10.571 0.856 -99.200 -91.000 PHE 39 1.000 -10.693 14.697 -12.363 -99.200 -91.000 TYR 46 0.840 -12.067 10.510 -9.401 -99.200 -91.000 TYR 59 0.840 -14.446 0.653 -7.916 -99.200 -91.000 TYR 60 0.840 -14.678 7.031 -6.461 -99.200 -91.000 TYR 64 0.840 -16.284 5.331 -10.969 -99.200 -91.000 TYR 78 0.840 -24.073 20.484 -23.497 -99.200 -91.000 TYR 80 0.840 -18.699 30.174 -20.077 -99.200 -91.000 HIS 108 0.900 -24.265 72.946 12.186 -99.200 -91.000 HIS 109 0.900 -17.814 68.047 10.579 -99.200 -91.000 PHE 119 1.000 -25.442 46.080 -7.751 -99.200 -91.000 TYR 120 0.840 -26.325 38.346 -12.074 -99.200 -91.000 TRP 128 1.040 -21.030 59.447 -2.585 -99.200 -91.000 TRP6 128 1.020 -23.112 60.574 -2.596 -99.200 -91.000 PHE 129 1.000 -18.468 62.661 -10.114 -99.200 -91.000 TRP 150 1.040 -29.987 33.813 -9.838 -99.200 -91.000 TRP6 150 1.020 -28.376 33.125 -11.428 -99.200 -91.000 PHE 152 1.000 -24.371 39.932 -6.619 -99.200 -91.000 TYR 168 0.840 -22.602 67.555 -1.343 -99.200 -91.000 HIS 171 0.900 -20.849 58.809 -12.799 -99.200 -91.000 HIS 174 0.900 -24.563 46.575 -13.312 -99.200 -91.000 TRP 185 1.040 -29.390 65.516 -0.417 -99.200 -91.000 TRP6 185 1.020 -28.175 67.252 0.630 -99.200 -91.000