============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 8 0.840 -33.851 -31.416 49.030 -99.200 -91.000 PHE 10 1.000 -41.106 -25.718 42.085 -99.200 -91.000 TRP 11 1.040 -40.471 -31.591 43.879 -99.200 -91.000 TRP6 11 1.020 -42.702 -31.510 43.130 -99.200 -91.000 PHE 13 1.000 -41.541 -21.162 46.147 -99.200 -91.000 TYR 19 0.840 -48.255 -23.848 57.099 -99.200 -91.000 TYR 20 0.840 -48.553 -16.621 51.514 -99.200 -91.000 TYR 30 0.840 -61.137 -22.319 58.154 -99.200 -91.000 PHE 46 1.000 -53.061 -26.439 55.667 -99.200 -91.000 PHE 54 1.000 -57.896 -6.573 53.641 -99.200 -91.000 HIS 58 0.900 -64.343 6.966 49.425 -99.200 -91.000 PHE 86 1.000 -78.277 -37.241 58.655 -99.200 -91.000 HIS 88 0.900 -78.645 -28.057 60.358 -99.200 -91.000 TRP 104 1.040 -81.070 -11.592 54.742 -99.200 -91.000 TRP6 104 1.020 -80.362 -10.382 56.647 -99.200 -91.000 HIS 116 0.900 -63.405 10.575 41.261 -99.200 -91.000 HIS 118 0.900 -69.508 12.022 43.969 -99.200 -91.000 PHE 130 1.000 -73.552 6.674 33.604 -99.200 -91.000 HIS 131 0.900 -76.552 7.725 26.510 -99.200 -91.000 TRP 158 1.040 -82.280 1.623 40.675 -99.200 -91.000 TRP6 158 1.020 -81.812 2.427 42.860 -99.200 -91.000 PHE 168 1.000 -79.477 -4.188 42.146 -99.200 -91.000 HIS 194 0.900 -90.509 -15.596 32.143 -99.200 -91.000 PHE 203 1.000 -91.840 -10.181 40.240 -99.200 -91.000 TYR 226 0.840 -88.246 -12.507 48.184 -99.200 -91.000 TYR 233 0.840 -86.528 -22.243 49.913 -99.200 -91.000