============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 27 0.840 3.697 10.300 30.679 -99.200 -91.000 PHE 29 1.000 8.285 6.056 32.274 -99.200 -91.000 PHE 32 1.000 3.000 10.795 25.434 -99.200 -91.000 TRP 33 1.040 10.972 9.838 22.010 -99.200 -91.000 TRP6 33 1.020 13.123 8.898 21.770 -99.200 -91.000 TRP 36 1.040 16.661 13.094 31.270 -99.200 -91.000 TRP6 36 1.020 16.122 12.844 33.556 -99.200 -91.000 HIS 43 0.900 26.302 31.187 32.252 -99.200 -91.000 TRP 47 1.040 17.284 18.199 24.239 -99.200 -91.000 TRP6 47 1.020 18.291 16.662 22.760 -99.200 -91.000 HIS 59 0.900 17.192 9.723 19.133 -99.200 -91.000 TYR 60 0.840 22.649 9.232 26.118 -99.200 -91.000 PHE 64 1.000 25.022 18.110 28.589 -99.200 -91.000 PHE 70 1.000 19.626 10.838 28.688 -99.200 -91.000 TYR 80 0.840 15.544 5.512 38.042 -99.200 -91.000 TYR 93 0.840 22.133 18.461 35.894 -99.200 -91.000 TYR 94 0.840 14.755 22.785 35.102 -99.200 -91.000 HIS 99 0.900 9.234 13.820 20.140 -99.200 -91.000 TYR 101 0.840 9.352 10.170 16.561 -99.200 -91.000 TYR 102 0.840 -1.474 8.529 17.650 -99.200 -91.000 PHE 103 1.000 -1.595 13.315 22.231 -99.200 -91.000 TYR 104 0.840 6.046 18.175 20.955 -99.200 -91.000 TYR 108 0.840 1.772 18.454 29.594 -99.200 -91.000 TRP 109 1.040 9.283 21.938 30.672 -99.200 -91.000 TRP6 109 1.020 11.585 22.373 30.368 -99.200 -91.000 PHE 128 1.000 22.550 34.255 63.117 -99.200 -91.000 TYR 151 0.840 21.991 28.393 52.655 -99.200 -91.000 PHE 152 1.000 28.460 23.871 49.627 -99.200 -91.000 TRP 160 1.040 8.535 35.183 56.283 -99.200 -91.000 TRP6 160 1.020 9.421 35.999 58.325 -99.200 -91.000 HIS 170 0.900 9.194 41.821 48.735 -99.200 -91.000 PHE 172 1.000 15.781 40.760 49.443 -99.200 -91.000 TYR 182 0.840 25.507 28.514 48.142 -99.200 -91.000 TYR 200 0.840 4.064 39.142 61.854 -99.200 -91.000 HIS 206 0.900 20.978 23.495 53.505 -99.200 -91.000