============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 10 1.000 20.268 40.472 98.769 -99.200 -91.000 PHE 22 1.000 22.444 28.933 91.133 -99.200 -91.000 TRP 50 1.040 23.688 29.384 95.292 -99.200 -91.000 TRP6 50 1.020 26.003 29.748 94.960 -99.200 -91.000 PHE 52 1.000 26.950 26.885 98.532 -99.200 -91.000 TYR 67 0.840 18.791 34.098 101.605 -99.200 -91.000 TRP 69 1.040 14.659 27.471 105.199 -99.200 -91.000 TRP6 69 1.020 12.687 28.720 104.843 -99.200 -91.000 HIS 78 0.900 9.440 40.957 95.468 -99.200 -91.000 PHE 84 1.000 13.555 28.445 89.703 -99.200 -91.000 HIS 87 0.900 16.597 20.935 90.912 -99.200 -91.000 TYR 94 0.840 5.072 21.072 86.109 -99.200 -91.000 TYR 98 0.840 0.228 30.664 89.368 -99.200 -91.000 HIS 99 0.900 4.264 32.915 90.937 -99.200 -91.000 PHE 108 1.000 19.458 14.240 90.771 -99.200 -91.000 HIS 117 0.900 7.783 20.244 77.833 -99.200 -91.000 PHE 128 1.000 27.454 21.201 89.056 -99.200 -91.000 TYR 148 0.840 16.115 33.193 76.106 -99.200 -91.000