============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 5 0.840 56.639 94.964 59.387 -99.200 -91.000 PHE 9 1.000 47.535 104.042 55.520 -99.200 -91.000 PHE 13 1.000 52.732 97.323 60.039 -99.200 -91.000 HIS 19 0.900 49.327 95.059 72.860 -99.200 -91.000 PHE 38 1.000 57.320 105.322 50.721 -99.200 -91.000 TYR 41 0.840 62.681 107.671 53.863 -99.200 -91.000 HIS 45 0.900 53.752 116.622 44.336 -99.200 -91.000 TYR 51 0.840 48.735 112.902 38.042 -99.200 -91.000 TYR 53 0.840 57.209 110.033 32.542 -99.200 -91.000 PHE 67 1.000 65.811 103.199 43.339 -99.200 -91.000 PHE 90 1.000 54.527 83.643 53.280 -99.200 -91.000 HIS 92 0.900 56.643 75.220 55.788 -99.200 -91.000 HIS 103 0.900 67.495 94.958 56.701 -99.200 -91.000 PHE 106 1.000 57.695 91.962 55.103 -99.200 -91.000 HIS 110 0.900 48.069 96.027 48.130 -99.200 -91.000 TYR 111 0.840 51.306 103.362 46.723 -99.200 -91.000 TYR 114 0.840 53.433 98.619 43.820 -99.200 -91.000 HIS 121 0.900 68.183 98.876 38.532 -99.200 -91.000 TYR 132 0.840 43.147 85.911 49.838 -99.200 -91.000 PHE 161 1.000 43.735 62.727 67.516 -99.200 -91.000 TYR 164 0.840 34.574 64.497 70.803 -99.200 -91.000 PHE 170 1.000 27.671 72.624 76.452 -99.200 -91.000 HIS 184 0.900 45.846 55.559 77.237 -99.200 -91.000 TRP 190 1.040 36.299 56.179 68.093 -99.200 -91.000 TRP6 190 1.020 36.616 58.505 68.384 -99.200 -91.000 HIS 192 0.900 44.540 54.596 61.099 -99.200 -91.000 TYR 200 0.840 34.437 56.729 51.966 -99.200 -91.000 TYR 210 0.840 46.749 56.641 54.735 -99.200 -91.000 TYR 223 0.840 31.502 55.874 57.203 -99.200 -91.000