============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 19 1.000 -5.255 13.038 14.634 -99.200 -91.000 HIS 27 0.900 3.831 19.215 34.594 -99.200 -91.000 PHE 30 1.000 -0.966 24.591 22.571 -99.200 -91.000 PHE 38 1.000 3.397 6.384 19.799 -99.200 -91.000 PHE 51 1.000 -4.300 28.066 21.007 -99.200 -91.000 TYR 60 0.840 5.705 24.143 25.061 -99.200 -91.000 TYR 62 0.840 4.491 18.535 27.153 -99.200 -91.000 HIS 67 0.900 0.570 19.518 7.789 -99.200 -91.000 TRP 106 1.040 1.082 23.467 16.041 -99.200 -91.000 TRP6 106 1.020 -0.216 25.382 16.529 -99.200 -91.000 PHE 108 1.000 1.447 16.885 19.298 -99.200 -91.000 PHE 154 1.000 16.360 21.027 19.805 -99.200 -91.000 TRP 166 1.040 17.568 11.452 5.486 -99.200 -91.000 TRP6 166 1.020 16.012 10.483 4.010 -99.200 -91.000 TYR 171 0.840 16.069 4.542 1.278 -99.200 -91.000 HIS 178 0.900 11.260 3.917 11.519 -99.200 -91.000 HIS 181 0.900 8.959 6.503 19.842 -99.200 -91.000 PHE 209 1.000 5.395 9.189 16.118 -99.200 -91.000 TRP 218 1.040 12.226 4.721 1.889 -99.200 -91.000 TRP6 218 1.020 11.861 6.790 2.959 -99.200 -91.000 TYR 223 0.840 15.978 15.225 -3.288 -99.200 -91.000 PHE 227 1.000 11.063 21.245 7.686 -99.200 -91.000 TYR 228 0.840 16.261 14.685 10.696 -99.200 -91.000