============================================================================= 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. TRP 6 1.040 1.976 21.607 11.743 -99.200 -91.000 TRP6 6 1.020 0.167 21.017 13.129 -99.200 -91.000 TYR 7 0.840 7.244 25.933 16.206 -99.200 -91.000 PHE 14 1.000 5.821 18.998 8.914 -99.200 -91.000 TYR 28 0.840 11.733 18.338 10.465 -99.200 -91.000 TYR 33 0.840 19.074 20.007 6.345 -99.200 -91.000 TYR 39 0.840 -3.228 16.345 2.415 -99.200 -91.000 TRP 54 1.040 7.680 15.314 7.005 -99.200 -91.000 TRP6 54 1.020 6.026 15.071 8.677 -99.200 -91.000 TRP 58 1.040 18.085 14.396 7.718 -99.200 -91.000 TRP6 58 1.020 17.139 16.256 8.812 -99.200 -91.000 TYR 62 0.840 23.678 27.326 3.928 -99.200 -91.000 HIS 66 0.900 27.140 11.996 2.351 -99.200 -91.000 TRP 71 1.040 9.400 13.038 11.095 -99.200 -91.000 TRP6 71 1.020 11.105 13.947 9.740 -99.200 -91.000 TYR 75 0.840 -4.890 17.804 11.314 -99.200 -91.000 TRP 87 1.040 11.578 10.093 14.317 -99.200 -91.000 TRP6 87 1.020 13.753 9.208 14.627 -99.200 -91.000 TRP 99 1.040 25.325 -4.109 11.765 -99.200 -91.000 TRP6 99 1.020 24.775 -3.467 13.968 -99.200 -91.000 HIS 106 0.900 8.437 8.162 20.695 -99.200 -91.000 PHE 109 1.000 6.605 17.014 13.806 -99.200 -91.000