============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 2 1.000 62.742 13.860 15.455 -99.200 -91.000 TYR 19 0.840 53.480 36.179 24.014 -99.200 -91.000 HIS 30 0.900 48.210 36.515 33.942 -99.200 -91.000 PHE 33 1.000 54.928 34.521 29.803 -99.200 -91.000 TRP 42 1.040 66.817 40.718 26.621 -99.200 -91.000 TRP6 42 1.020 64.906 40.342 27.984 -99.200 -91.000 HIS 61 0.900 54.463 45.346 30.258 -99.200 -91.000 TRP 64 1.040 52.557 51.130 30.806 -99.200 -91.000 TRP6 64 1.020 53.868 50.396 28.972 -99.200 -91.000 PHE 69 1.000 52.847 50.103 23.156 -99.200 -91.000 TRP 72 1.040 51.284 45.245 19.449 -99.200 -91.000 TRP6 72 1.020 52.500 46.968 18.382 -99.200 -91.000 TRP 74 1.040 52.238 40.358 18.889 -99.200 -91.000 TRP6 74 1.020 54.103 41.784 19.168 -99.200 -91.000 TYR 75 0.840 51.364 43.676 10.410 -99.200 -91.000 PHE 80 1.000 61.933 31.484 11.106 -99.200 -91.000 HIS 87 0.900 65.632 29.881 22.395 -99.200 -91.000 PHE 88 1.000 58.967 26.347 19.398 -99.200 -91.000 TRP 89 1.040 65.442 32.360 17.907 -99.200 -91.000 TRP6 89 1.020 65.981 34.426 18.943 -99.200 -91.000 HIS 95 0.900 49.509 46.942 11.922 -99.200 -91.000 PHE 100 1.000 55.313 54.625 25.253 -99.200 -91.000 TYR 103 0.840 57.326 60.912 24.564 -99.200 -91.000 TYR 107 0.840 49.331 52.663 12.912 -99.200 -91.000 TYR 108 0.840 55.946 50.849 18.097 -99.200 -91.000 HIS 111 0.900 60.380 42.452 10.592 -99.200 -91.000 PHE 112 1.000 57.711 44.436 17.525 -99.200 -91.000 HIS 114 0.900 57.721 38.795 19.754 -99.200 -91.000 PHE 116 1.000 57.404 33.513 22.128 -99.200 -91.000 PHE 129 1.000 66.274 40.011 21.110 -99.200 -91.000 PHE 132 1.000 67.824 54.476 14.679 -99.200 -91.000