============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 6 1.000 33.391 28.289 -4.626 -99.200 -91.000 PHE 7 1.000 30.294 25.710 2.446 -99.200 -91.000 PHE 21 1.000 26.684 29.056 2.346 -99.200 -91.000 PHE 24 1.000 23.510 38.639 6.216 -99.200 -91.000 PHE 35 1.000 30.781 29.974 6.242 -99.200 -91.000 PHE 45 1.000 43.211 26.685 10.490 -99.200 -91.000 TYR 47 0.840 33.881 26.051 7.052 -99.200 -91.000 PHE 52 1.000 26.807 21.156 4.918 -99.200 -91.000 HIS 53 0.900 28.966 17.405 12.018 -99.200 -91.000 PHE 59 1.000 17.153 22.208 14.372 -99.200 -91.000 PHE 66 1.000 38.986 22.879 10.462 -99.200 -91.000 HIS 68 0.900 41.467 21.439 16.236 -99.200 -91.000 HIS 69 0.900 49.312 21.243 17.988 -99.200 -91.000 TYR 78 0.840 38.900 35.489 14.412 -99.200 -91.000 PHE 82 1.000 34.786 33.278 16.358 -99.200 -91.000 PHE 87 1.000 24.221 35.895 20.909 -99.200 -91.000 HIS 91 0.900 19.396 31.420 14.908 -99.200 -91.000 PHE 111 1.000 28.977 25.261 7.896 -99.200 -91.000 PHE 112 1.000 22.663 26.557 13.398 -99.200 -91.000 TRP 120 1.040 14.993 25.877 18.917 -99.200 -91.000 TRP6 120 1.020 13.582 25.534 17.015 -99.200 -91.000 HIS 125 0.900 23.404 27.845 18.652 -99.200 -91.000 PHE 128 1.000 28.330 32.694 9.949 -99.200 -91.000 PHE 144 1.000 21.101 12.054 -0.347 -99.200 -91.000