============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 15 1.040 108.406 2.942 21.276 -99.200 -91.000 TRP6 15 1.020 107.344 3.594 23.272 -99.200 -91.000 PHE 18 1.000 109.738 5.691 27.888 -99.200 -91.000 TYR 31 0.840 106.553 14.297 31.963 -99.200 -91.000 TRP 35 1.040 103.464 15.834 28.899 -99.200 -91.000 TRP6 35 1.020 102.467 17.934 28.500 -99.200 -91.000 PHE 39 1.000 100.837 16.053 23.920 -99.200 -91.000 PHE 43 1.000 96.786 20.266 25.368 -99.200 -91.000 TRP 56 1.040 79.141 32.642 15.904 -99.200 -91.000 TRP6 56 1.020 78.983 30.508 14.928 -99.200 -91.000 PHE 61 1.000 83.256 34.183 25.993 -99.200 -91.000 TYR 76 0.840 83.712 28.961 28.169 -99.200 -91.000 TYR 78 0.840 87.740 24.895 27.706 -99.200 -91.000 TYR 85 0.840 99.161 37.762 24.262 -99.200 -91.000 TRP 107 1.040 99.925 22.255 20.269 -99.200 -91.000 TRP6 107 1.020 101.728 21.450 21.549 -99.200 -91.000 TRP 116 1.040 94.734 19.598 7.296 -99.200 -91.000 TRP6 116 1.020 94.698 21.958 7.252 -99.200 -91.000 TYR 117 0.840 98.383 24.676 11.099 -99.200 -91.000 PHE 120 1.000 108.400 19.767 4.192 -99.200 -91.000 TYR 122 0.840 97.683 25.674 5.729 -99.200 -91.000 TYR 150 0.840 95.696 37.426 11.951 -99.200 -91.000 TYR 158 0.840 97.452 34.920 15.650 -99.200 -91.000 TRP 171 1.040 70.143 26.421 14.689 -99.200 -91.000 TRP6 171 1.020 71.826 25.183 13.562 -99.200 -91.000