============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 5 0.840 24.879 -29.970 -8.517 -99.200 -91.000 TYR 8 0.840 25.475 -34.633 -6.732 -99.200 -91.000 PHE 18 1.000 23.136 -21.978 -17.217 -99.200 -91.000 TYR 24 0.840 33.863 -27.247 -14.346 -99.200 -91.000 PHE 25 1.000 32.352 -22.944 -16.957 -99.200 -91.000 TYR 27 0.840 32.028 -24.353 -5.435 -99.200 -91.000 TYR 37 0.840 37.351 -29.286 -9.008 -99.200 -91.000 PHE 41 1.000 31.940 -29.037 -9.911 -99.200 -91.000 PHE 47 1.000 32.741 -32.066 -20.650 -99.200 -91.000 PHE 55 1.000 36.433 -24.435 -29.760 -99.200 -91.000 PHE 76 1.000 35.407 -17.153 -23.613 -99.200 -91.000 TYR 79 0.840 37.794 -18.125 -30.169 -99.200 -91.000 TYR 93 0.840 31.174 -36.346 -28.669 -99.200 -91.000 TRP 109 1.040 39.522 -13.875 -18.013 -99.200 -91.000 TRP6 109 1.020 37.462 -14.590 -18.919 -99.200 -91.000 PHE 115 1.000 40.307 -13.676 -7.797 -99.200 -91.000 TRP 118 1.040 32.506 -16.044 -11.323 -99.200 -91.000 TRP6 118 1.020 30.448 -17.192 -11.205 -99.200 -91.000 TYR 120 0.840 32.016 -10.845 -19.179 -99.200 -91.000 PHE 128 1.000 29.628 -23.215 -29.065 -99.200 -91.000 HIS 132 0.900 18.260 -31.709 -28.909 -99.200 -91.000 TYR 147 0.840 30.341 -44.953 -21.140 -99.200 -91.000