============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 5 1.000 -15.261 5.756 -5.364 -99.200 -91.000 PHE 8 1.000 -6.467 -1.241 -13.950 -99.200 -91.000 TYR 9 0.840 -7.654 6.926 -18.192 -99.200 -91.000 HIS 24 0.900 -23.269 10.684 -1.319 -99.200 -91.000 PHE 31 1.000 -19.368 5.303 6.954 -99.200 -91.000 TYR 39 0.840 -17.657 17.057 1.235 -99.200 -91.000 HIS 45 0.900 -4.509 4.747 -11.165 -99.200 -91.000 TYR 59 0.840 -11.996 -11.866 -2.066 -99.200 -91.000 PHE 83 1.000 -18.661 2.384 2.473 -99.200 -91.000 TYR 84 0.840 -15.623 -2.238 5.044 -99.200 -91.000 TRP 114 1.040 -12.760 15.585 8.518 -99.200 -91.000 TRP6 114 1.020 -12.863 14.694 6.345 -99.200 -91.000 PHE 116 1.000 -16.379 18.813 5.602 -99.200 -91.000 PHE 123 1.000 -17.158 17.232 10.943 -99.200 -91.000