============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 3 1.000 7.703 -4.392 21.744 -99.200 -91.000 PHE 15 1.000 6.116 -2.127 5.983 -99.200 -91.000 PHE 29 1.000 4.433 1.165 13.893 -99.200 -91.000 PHE 34 1.000 13.786 -5.426 8.389 -99.200 -91.000 TYR 40 0.840 18.751 -9.074 13.411 -99.200 -91.000 PHE 52 1.000 19.262 -4.069 12.632 -99.200 -91.000 TYR 83 0.840 27.211 -9.065 5.696 -99.200 -91.000 PHE 90 1.000 19.550 -9.084 3.009 -99.200 -91.000 TRP 91 1.040 24.291 -8.182 -4.302 -99.200 -91.000 TRP6 91 1.020 25.244 -6.025 -4.486 -99.200 -91.000 PHE 94 1.000 17.021 1.510 2.042 -99.200 -91.000 HIS 95 0.900 12.244 4.721 -2.837 -99.200 -91.000 TYR 108 0.840 5.681 8.214 11.658 -99.200 -91.000 PHE 109 1.000 13.865 10.166 6.957 -99.200 -91.000 HIS 119 0.900 24.418 -3.848 -9.177 -99.200 -91.000