============================================================================= 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 9 1.000 18.083 1.176 34.050 -99.200 -91.000 TYR 21 0.840 36.680 -12.558 29.905 -99.200 -91.000 TRP 23 1.040 31.192 -15.657 22.161 -99.200 -91.000 TRP6 23 1.020 31.489 -17.652 20.913 -99.200 -91.000 TYR 67 0.840 13.127 -4.278 16.650 -99.200 -91.000 PHE 112 1.000 18.971 8.954 25.898 -99.200 -91.000 TYR 119 0.840 31.194 8.865 8.812 -99.200 -91.000 HIS 167 0.900 38.835 12.558 12.568 -99.200 -91.000 PHE 182 1.000 47.319 12.000 24.962 -99.200 -91.000 TYR 206 0.840 37.082 18.821 15.668 -99.200 -91.000 HIS 236 0.900 26.978 13.420 0.004 -99.200 -91.000 PHE 278 1.000 27.755 5.988 30.168 -99.200 -91.000 HIS 319 0.900 29.898 -10.305 38.141 -99.200 -91.000 TYR 320 0.840 32.216 -15.771 44.725 -99.200 -91.000