============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 20 1.040 32.025 -10.092 -1.844 -99.200 -91.000 TRP6 20 1.020 32.845 -7.937 -1.376 -99.200 -91.000 HIS 26 0.900 31.043 -20.901 -5.086 -99.200 -91.000 HIS 54 0.900 31.203 -7.638 -21.159 -99.200 -91.000 PHE 71 1.000 41.585 -20.019 -13.386 -99.200 -91.000 HIS 76 0.900 52.895 -12.542 -22.367 -99.200 -91.000 PHE 80 1.000 44.006 -13.893 -17.250 -99.200 -91.000 PHE 103 1.000 25.877 -29.622 -3.519 -99.200 -91.000 TRP 108 1.040 19.802 -25.280 -6.635 -99.200 -91.000 TRP6 108 1.020 21.219 -26.902 -5.678 -99.200 -91.000 HIS 109 0.900 25.841 -25.012 -1.540 -99.200 -91.000 TRP 110 1.040 25.485 -16.915 -2.731 -99.200 -91.000 TRP6 110 1.020 27.764 -17.078 -2.157 -99.200 -91.000 TRP 113 1.040 25.799 -21.739 2.646 -99.200 -91.000 TRP6 113 1.020 26.696 -22.043 4.808 -99.200 -91.000 HIS 118 0.900 14.219 -20.348 9.023 -99.200 -91.000 PHE 127 1.000 18.024 -26.369 -0.608 -99.200 -91.000 PHE 135 1.000 20.538 -31.235 -0.825 -99.200 -91.000 TRP 136 1.040 17.044 -35.127 2.182 -99.200 -91.000 TRP6 136 1.020 19.095 -35.822 1.249 -99.200 -91.000 HIS 140 0.900 11.476 -37.570 -6.365 -99.200 -91.000 PHE 149 1.000 23.721 -35.153 -2.203 -99.200 -91.000 TYR 167 0.840 33.904 -54.631 9.937 -99.200 -91.000 PHE 169 1.000 33.215 -54.953 5.033 -99.200 -91.000 PHE 192 1.000 36.354 -58.215 2.722 -99.200 -91.000 PHE 229 1.000 17.760 -43.326 4.842 -99.200 -91.000 PHE 230 1.000 13.374 -40.960 7.865 -99.200 -91.000 TYR 240 0.840 21.362 -54.777 8.229 -99.200 -91.000 HIS 244 0.900 30.472 -39.204 5.097 -99.200 -91.000 HIS 247 0.900 27.061 -36.214 7.650 -99.200 -91.000 TRP 249 1.040 18.576 -38.124 8.031 -99.200 -91.000 TRP6 249 1.020 16.565 -37.492 6.989 -99.200 -91.000 PHE 287 1.000 34.236 -22.634 8.156 -99.200 -91.000 PHE 306 1.000 26.122 -42.599 15.911 -99.200 -91.000