============================================================================= 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. TYR 15 0.840 8.686 27.726 2.934 -99.200 -91.000 PHE 23 1.000 27.594 25.393 1.839 -99.200 -91.000 TYR 29 0.840 15.187 28.139 1.875 -99.200 -91.000 TYR 34 0.840 12.815 16.175 7.170 -99.200 -91.000 TYR 37 0.840 23.365 10.347 7.519 -99.200 -91.000 TYR 40 0.840 26.434 -0.105 13.228 -99.200 -91.000 PHE 41 1.000 26.297 7.416 15.139 -99.200 -91.000 HIS 46 0.900 30.513 8.693 16.897 -99.200 -91.000 PHE 74 1.000 26.630 21.318 14.230 -99.200 -91.000 PHE 76 1.000 26.676 26.243 10.353 -99.200 -91.000 HIS 91 0.900 26.103 8.701 19.169 -99.200 -91.000 TRP 109 1.040 19.292 36.710 9.523 -99.200 -91.000 TRP6 109 1.020 17.666 37.850 8.243 -99.200 -91.000 TYR 112 0.840 22.348 29.732 2.149 -99.200 -91.000 PHE 115 1.000 31.824 19.119 5.056 -99.200 -91.000 PHE 118 1.000 27.815 11.905 12.723 -99.200 -91.000