============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 2 1.040 30.521 8.750 19.092 -99.200 -91.000 TRP6 2 1.020 30.775 10.015 17.115 -99.200 -91.000 TYR 4 0.840 27.874 18.838 25.001 -99.200 -91.000 TYR 10 0.840 29.993 13.491 13.298 -99.200 -91.000 TYR 19 0.840 29.805 23.660 17.509 -99.200 -91.000 HIS 21 0.900 20.724 26.639 12.835 -99.200 -91.000 TYR 35 0.840 5.356 25.022 25.300 -99.200 -91.000 HIS 49 0.900 19.124 21.227 14.261 -99.200 -91.000 TYR 69 0.840 14.719 5.067 7.109 -99.200 -91.000 TYR 80 0.840 18.284 22.133 -1.977 -99.200 -91.000 HIS 83 0.900 18.647 19.299 6.505 -99.200 -91.000 PHE 108 1.000 9.170 12.301 10.620 -99.200 -91.000 HIS 109 0.900 16.017 19.121 11.086 -99.200 -91.000 TYR 123 0.840 8.719 22.965 11.908 -99.200 -91.000 TYR 127 0.840 11.207 27.512 10.561 -99.200 -91.000 PHE 134 1.000 12.508 34.223 10.535 -99.200 -91.000 PHE 155 1.000 3.820 22.849 10.089 -99.200 -91.000 PHE 161 1.000 10.724 31.830 0.472 -99.200 -91.000 PHE 168 1.000 9.262 20.022 -7.745 -99.200 -91.000 HIS 170 0.900 8.093 16.103 2.061 -99.200 -91.000 HIS 171 0.900 4.286 13.041 2.121 -99.200 -91.000 TYR 179 0.840 -2.556 15.242 13.993 -99.200 -91.000