============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 14 0.840 33.412 33.040 18.126 -99.200 -91.000 TYR 15 0.840 37.386 36.341 18.143 -99.200 -91.000 PHE 18 1.000 31.767 40.732 17.232 -99.200 -91.000 TRP 23 1.040 24.391 38.964 14.779 -99.200 -91.000 TRP6 23 1.020 26.510 39.852 15.354 -99.200 -91.000 PHE 28 1.000 32.497 29.287 12.431 -99.200 -91.000 HIS 35 0.900 29.622 34.311 26.031 -99.200 -91.000 PHE 49 1.000 28.314 32.788 22.315 -99.200 -91.000 PHE 52 1.000 27.206 38.395 24.957 -99.200 -91.000 TYR 59 0.840 27.299 47.915 24.219 -99.200 -91.000 TYR 81 0.840 38.945 40.847 21.352 -99.200 -91.000 HIS 84 0.900 39.777 50.098 16.254 -99.200 -91.000 TYR 87 0.840 27.056 52.898 25.875 -99.200 -91.000 HIS 88 0.900 23.797 51.085 18.450 -99.200 -91.000 TYR 102 0.840 33.055 50.591 22.381 -99.200 -91.000 PHE 109 1.000 43.178 33.098 27.526 -99.200 -91.000 PHE 110 1.000 37.741 31.632 21.630 -99.200 -91.000 TYR 123 0.840 39.379 36.545 31.199 -99.200 -91.000 TYR 124 0.840 34.933 44.016 27.952 -99.200 -91.000 TRP 129 1.040 33.241 50.036 26.654 -99.200 -91.000 TRP6 129 1.020 31.175 50.578 27.671 -99.200 -91.000