============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 7 1.040 32.761 30.617 11.482 -99.200 -91.000 TRP6 7 1.020 30.650 30.263 12.528 -99.200 -91.000 PHE 20 1.000 58.728 29.096 9.115 -99.200 -91.000 PHE 33 1.000 40.484 30.000 -1.368 -99.200 -91.000 HIS 39 0.900 54.460 28.028 9.616 -99.200 -91.000 TYR 40 0.840 51.708 29.204 17.649 -99.200 -91.000 TYR 42 0.840 57.174 19.227 18.202 -99.200 -91.000 TRP 51 1.040 43.959 18.881 21.136 -99.200 -91.000 TRP6 51 1.020 45.204 17.563 19.635 -99.200 -91.000 TYR 54 0.840 45.042 28.377 16.693 -99.200 -91.000 PHE 59 1.000 50.277 18.107 14.275 -99.200 -91.000 TYR 73 0.840 50.136 17.212 23.066 -99.200 -91.000 TYR 89 0.840 50.983 11.727 -1.256 -99.200 -91.000 HIS 97 0.900 32.764 9.305 14.038 -99.200 -91.000 TRP 98 1.040 35.962 16.997 14.581 -99.200 -91.000 TRP6 98 1.020 36.816 15.320 16.032 -99.200 -91.000 PHE 161 1.000 23.518 22.438 11.903 -99.200 -91.000 TYR 170 0.840 16.841 11.260 20.634 -99.200 -91.000 TYR 179 0.840 9.997 21.385 22.198 -99.200 -91.000 TRP 186 1.040 15.093 23.122 27.082 -99.200 -91.000 TRP6 186 1.020 13.181 23.842 25.965 -99.200 -91.000 TYR 212 0.840 26.520 45.910 6.181 -99.200 -91.000 PHE 242 1.000 26.072 47.455 11.418 -99.200 -91.000 PHE 246 1.000 33.282 52.683 19.760 -99.200 -91.000 PHE 257 1.000 41.795 40.243 27.124 -99.200 -91.000 TYR 301 0.840 26.908 42.233 25.180 -99.200 -91.000 HIS 304 0.900 23.845 42.520 33.004 -99.200 -91.000