============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 3 1.000 -14.254 -56.100 10.591 -99.200 -91.000 TYR 4 0.840 -8.428 -53.308 17.087 -99.200 -91.000 PHE 13 1.000 -14.995 -45.326 16.611 -99.200 -91.000 TYR 19 0.840 -8.254 -48.848 8.879 -99.200 -91.000 TYR 37 0.840 0.934 -46.953 11.273 -99.200 -91.000 PHE 54 1.000 -28.969 -49.389 9.751 -99.200 -91.000 HIS 59 0.900 -29.795 -39.962 13.156 -99.200 -91.000 TYR 64 0.840 -27.863 -43.422 -0.803 -99.200 -91.000 HIS 74 0.900 -11.653 -28.714 -5.490 -99.200 -91.000 PHE 84 1.000 -13.877 -50.239 8.717 -99.200 -91.000 PHE 93 1.000 -25.246 -51.751 7.185 -99.200 -91.000 TYR 97 0.840 -16.854 -48.636 12.488 -99.200 -91.000 HIS 116 0.900 -3.908 -8.552 5.951 -99.200 -91.000 TYR 121 0.840 -2.848 -21.508 0.493 -99.200 -91.000 TYR 124 0.840 -7.322 -19.754 -4.592 -99.200 -91.000 HIS 132 0.900 -15.251 -30.224 -7.504 -99.200 -91.000 HIS 134 0.900 -21.990 -23.097 -4.291 -99.200 -91.000 HIS 140 0.900 -21.386 -27.662 3.689 -99.200 -91.000 PHE 160 1.000 -19.376 -34.276 0.319 -99.200 -91.000 TYR 168 0.840 -23.210 -19.555 17.823 -99.200 -91.000 TYR 169 0.840 -19.716 -20.239 12.384 -99.200 -91.000 TYR 180 0.840 -31.021 -23.940 -0.509 -99.200 -91.000 TRP 187 1.040 -24.362 -15.390 6.884 -99.200 -91.000 TRP6 187 1.020 -24.968 -13.119 7.085 -99.200 -91.000 HIS 199 0.900 -7.734 -13.160 16.541 -99.200 -91.000 PHE 203 1.000 -23.126 -11.803 12.068 -99.200 -91.000 TYR 208 0.840 -34.130 -22.808 18.538 -99.200 -91.000 TRP 212 1.040 -33.636 -11.117 12.538 -99.200 -91.000 TRP6 212 1.020 -32.703 -11.087 10.370 -99.200 -91.000 PHE 226 1.000 -34.251 -10.413 3.800 -99.200 -91.000 TYR 237 0.840 -38.529 -12.109 14.814 -99.200 -91.000 TYR 244 0.840 -31.134 -2.762 16.956 -99.200 -91.000 PHE 249 1.000 -19.481 -4.502 6.381 -99.200 -91.000 PHE 253 1.000 -15.275 -7.279 10.610 -99.200 -91.000 PHE 258 1.000 -8.203 -5.888 9.307 -99.200 -91.000 HIS 264 0.900 1.604 -6.274 2.556 -99.200 -91.000 HIS 296 0.900 -12.240 -8.178 -2.776 -99.200 -91.000 TYR 298 0.840 -7.564 -10.470 2.050 -99.200 -91.000 TRP 302 1.040 -3.594 -16.835 -2.203 -99.200 -91.000 TRP6 302 1.020 -1.505 -17.829 -1.722 -99.200 -91.000 TYR 303 0.840 -6.271 -17.749 -12.692 -99.200 -91.000 HIS 316 0.900 -35.346 -44.211 -1.206 -99.200 -91.000 TRP 321 1.040 -33.840 -43.941 3.714 -99.200 -91.000 TRP6 321 1.020 -32.640 -42.671 2.134 -99.200 -91.000 TYR 326 0.840 -24.767 -55.113 3.585 -99.200 -91.000