============================================================================= 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 7 1.000 19.173 6.853 52.208 -99.200 -91.000 PHE 27 1.000 26.108 4.608 44.262 -99.200 -91.000 PHE 28 1.000 26.429 11.472 38.924 -99.200 -91.000 TYR 30 0.840 29.594 14.178 35.300 -99.200 -91.000 TYR 34 0.840 21.259 2.527 28.359 -99.200 -91.000 TYR 55 0.840 22.967 14.098 41.170 -99.200 -91.000 TRP 58 1.040 31.694 3.749 41.221 -99.200 -91.000 TRP6 58 1.020 30.296 1.932 40.577 -99.200 -91.000 PHE 67 1.000 40.299 17.184 33.782 -99.200 -91.000 TYR 81 0.840 27.653 18.284 41.670 -99.200 -91.000 PHE 84 1.000 31.740 21.220 35.244 -99.200 -91.000 HIS 85 0.900 24.933 15.633 37.303 -99.200 -91.000 TRP 86 1.040 20.911 19.961 36.069 -99.200 -91.000 TRP6 86 1.020 20.245 17.722 36.443 -99.200 -91.000 HIS 123 0.900 31.253 12.194 46.113 -99.200 -91.000 PHE 135 1.000 23.553 -0.015 43.348 -99.200 -91.000 PHE 141 1.000 18.846 5.832 38.982 -99.200 -91.000 PHE 151 1.000 16.827 5.020 31.181 -99.200 -91.000