============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 1 0.840 18.137 1.048 -1.221 -99.200 -91.000 PHE 4 1.000 21.383 9.533 -0.244 -99.200 -91.000 PHE 8 1.000 20.418 11.914 3.965 -99.200 -91.000 TYR 26 0.840 13.420 17.501 12.050 -99.200 -91.000 PHE 29 1.000 18.425 7.901 10.010 -99.200 -91.000 TYR 38 0.840 14.239 0.271 15.453 -99.200 -91.000 TYR 40 0.840 13.444 9.230 21.866 -99.200 -91.000 HIS 47 0.900 6.599 14.213 13.803 -99.200 -91.000 PHE 61 1.000 16.784 8.065 5.195 -99.200 -91.000 PHE 72 1.000 13.522 21.039 -12.388 -99.200 -91.000 PHE 79 1.000 14.270 2.756 2.197 -99.200 -91.000 TRP 93 1.040 11.197 2.943 24.243 -99.200 -91.000 TRP6 93 1.020 12.293 4.376 25.784 -99.200 -91.000 PHE 100 1.000 16.628 7.380 17.921 -99.200 -91.000 PHE 104 1.000 20.581 11.647 16.515 -99.200 -91.000 PHE 117 1.000 10.566 13.271 22.105 -99.200 -91.000 PHE 120 1.000 5.228 5.739 16.571 -99.200 -91.000 PHE 129 1.000 20.707 5.897 -4.124 -99.200 -91.000 PHE 133 1.000 18.890 15.712 -14.944 -99.200 -91.000