============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 10 1.000 -2.623 30.672 33.533 -99.200 -91.000 PHE 16 1.000 -1.437 33.003 38.138 -99.200 -91.000 PHE 17 1.000 -2.146 35.566 42.486 -99.200 -91.000 HIS 21 0.900 -6.318 31.526 45.099 -99.200 -91.000 TYR 24 0.840 -6.399 21.228 47.361 -99.200 -91.000 TYR 27 0.840 -3.991 27.373 47.361 -99.200 -91.000 PHE 30 1.000 1.513 30.995 43.660 -99.200 -91.000 HIS 38 0.900 11.984 35.008 43.558 -99.200 -91.000 PHE 49 1.000 7.005 32.485 29.730 -99.200 -91.000 TYR 52 0.840 12.106 33.736 36.020 -99.200 -91.000 HIS 54 0.900 12.856 27.056 26.561 -99.200 -91.000 PHE 61 1.000 1.490 27.289 38.519 -99.200 -91.000 PHE 64 1.000 -3.434 26.728 36.190 -99.200 -91.000 TRP 75 1.040 0.280 28.441 18.868 -99.200 -91.000 TRP6 75 1.020 1.976 28.371 20.539 -99.200 -91.000 PHE 86 1.000 9.005 19.290 20.150 -99.200 -91.000 PHE 87 1.000 2.195 21.805 23.446 -99.200 -91.000 HIS 90 0.900 5.167 25.666 12.706 -99.200 -91.000 PHE 97 1.000 10.512 21.513 26.325 -99.200 -91.000