============================================================================= 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. HIS 9 0.900 35.545 -1.464 53.262 -99.200 -91.000 PHE 33 1.000 36.443 -0.037 62.298 -99.200 -91.000 HIS 34 0.900 28.422 6.959 63.597 -99.200 -91.000 TRP 35 1.040 28.621 0.699 58.895 -99.200 -91.000 TRP6 35 1.020 27.733 -1.221 57.838 -99.200 -91.000 TYR 47 0.840 6.080 -0.620 66.592 -99.200 -91.000 PHE 52 1.000 9.797 3.198 63.873 -99.200 -91.000 PHE 53 1.000 16.331 7.896 59.723 -99.200 -91.000 HIS 57 0.900 28.655 4.459 67.295 -99.200 -91.000 PHE 58 1.000 29.943 -2.445 62.057 -99.200 -91.000 TYR 62 0.840 31.280 -6.839 63.239 -99.200 -91.000 PHE 64 1.000 36.571 -13.085 65.365 -99.200 -91.000 PHE 71 1.000 14.856 1.097 67.118 -99.200 -91.000 TYR 76 0.840 3.507 2.653 74.274 -99.200 -91.000 HIS 77 0.900 9.514 -3.375 71.130 -99.200 -91.000 TRP 95 1.040 28.917 -10.888 68.186 -99.200 -91.000 TRP6 95 1.020 27.552 -9.882 66.515 -99.200 -91.000 TYR 129 0.840 3.254 -7.363 73.487 -99.200 -91.000 TYR 136 0.840 2.492 -2.625 72.313 -99.200 -91.000 TRP 143 1.040 3.919 7.231 72.043 -99.200 -91.000 TRP6 143 1.020 5.752 6.969 73.501 -99.200 -91.000 TYR 147 0.840 7.532 10.902 69.633 -99.200 -91.000