============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 5 1.000 1.814 -8.206 18.115 -99.200 -91.000 PHE 7 1.000 -0.460 -13.370 23.969 -99.200 -91.000 TYR 22 0.840 0.858 -3.345 18.257 -99.200 -91.000 HIS 38 0.900 12.659 -14.997 5.140 -99.200 -91.000 PHE 44 1.000 10.275 -13.355 24.456 -99.200 -91.000 PHE 55 1.000 -0.869 -23.426 27.258 -99.200 -91.000 HIS 58 0.900 6.805 -20.848 33.176 -99.200 -91.000 TYR 59 0.840 11.795 -23.138 27.008 -99.200 -91.000 TYR 67 0.840 0.343 -22.585 15.322 -99.200 -91.000 TYR 76 0.840 -5.361 -8.965 10.162 -99.200 -91.000 PHE 85 1.000 5.995 -21.830 16.082 -99.200 -91.000 TYR 88 0.840 13.712 -16.603 22.249 -99.200 -91.000 PHE 112 1.000 13.889 -9.789 18.396 -99.200 -91.000 PHE 113 1.000 10.561 -5.901 11.865 -99.200 -91.000 HIS 124 0.900 14.943 4.370 11.097 -99.200 -91.000 PHE 131 1.000 3.859 1.029 14.409 -99.200 -91.000