============================================================================= 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. PHE 7 1.000 -3.359 -3.836 -19.402 -99.200 -91.000 PHE 13 1.000 -13.264 0.112 -19.969 -99.200 -91.000 HIS 21 0.900 0.615 9.315 -25.401 -99.200 -91.000 TYR 23 0.840 7.271 4.661 -17.803 -99.200 -91.000 HIS 27 0.900 11.485 7.062 -19.242 -99.200 -91.000 TYR 35 0.840 3.369 -8.929 -21.425 -99.200 -91.000 PHE 55 1.000 0.138 0.687 -13.077 -99.200 -91.000 HIS 67 0.900 1.022 -5.805 -2.809 -99.200 -91.000 HIS 80 0.900 -33.828 0.607 -18.750 -99.200 -91.000 HIS 83 0.900 -33.627 -0.616 -10.277 -99.200 -91.000 HIS 94 0.900 -26.801 5.085 2.644 -99.200 -91.000 TYR 106 0.840 -17.637 -6.101 -13.194 -99.200 -91.000 PHE 114 1.000 -15.281 -4.473 -9.011 -99.200 -91.000 HIS 117 0.900 -13.551 -4.174 -1.854 -99.200 -91.000 PHE 122 1.000 -23.895 -5.780 -1.618 -99.200 -91.000 HIS 125 0.900 -20.698 -2.297 6.319 -99.200 -91.000 PHE 164 1.000 -31.783 4.711 -25.935 -99.200 -91.000 TYR 168 0.840 -22.253 4.047 -15.505 -99.200 -91.000 TYR 181 0.840 -3.729 -1.997 -3.014 -99.200 -91.000 TYR 192 0.840 14.152 2.793 -18.298 -99.200 -91.000 TYR 194 0.840 12.465 8.308 -8.445 -99.200 -91.000 TYR 197 0.840 6.467 3.414 -7.510 -99.200 -91.000 TYR 204 0.840 -3.180 8.960 -9.085 -99.200 -91.000 TYR 206 0.840 -3.928 18.712 -15.975 -99.200 -91.000 PHE 209 1.000 -8.092 11.533 -8.614 -99.200 -91.000 TRP 215 1.040 10.269 7.571 -3.253 -99.200 -91.000 TRP6 215 1.020 12.238 6.475 -3.968 -99.200 -91.000