============================================================================= 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 1.040 107.912 3.128 21.199 -99.200 -91.000 TRP6 15 1.020 106.833 3.798 23.198 -99.200 -91.000 PHE 18 1.000 109.265 5.950 27.818 -99.200 -91.000 TYR 31 0.840 106.155 14.409 31.873 -99.200 -91.000 TRP 35 1.040 102.973 16.006 28.902 -99.200 -91.000 TRP6 35 1.020 101.862 18.083 28.657 -99.200 -91.000 PHE 39 1.000 100.333 16.099 23.865 -99.200 -91.000 PHE 43 1.000 96.376 20.370 25.179 -99.200 -91.000 TRP 56 1.040 78.743 32.788 15.833 -99.200 -91.000 TRP6 56 1.020 78.582 30.651 14.814 -99.200 -91.000 PHE 61 1.000 82.902 34.345 25.963 -99.200 -91.000 TYR 76 0.840 83.252 29.119 28.109 -99.200 -91.000 TYR 78 0.840 87.240 25.076 27.642 -99.200 -91.000 TYR 85 0.840 98.747 37.873 24.263 -99.200 -91.000 TRP 107 1.040 99.512 22.359 20.224 -99.200 -91.000 TRP6 107 1.020 101.316 21.574 21.543 -99.200 -91.000 TRP 116 1.040 94.309 19.770 7.202 -99.200 -91.000 TRP6 116 1.020 94.266 22.146 7.202 -99.200 -91.000 TYR 117 0.840 97.961 24.884 11.060 -99.200 -91.000 PHE 120 1.000 107.998 19.886 4.182 -99.200 -91.000 TYR 122 0.840 97.264 25.832 5.681 -99.200 -91.000 TYR 150 0.840 95.273 37.609 11.918 -99.200 -91.000 TYR 158 0.840 97.086 35.095 15.582 -99.200 -91.000 TRP 171 1.040 69.771 26.452 14.560 -99.200 -91.000 TRP6 171 1.020 71.448 25.209 13.443 -99.200 -91.000