============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 12 0.840 -7.883 9.908 7.392 -99.200 -91.000 TYR 17 0.840 0.055 13.609 12.146 -99.200 -91.000 TYR 18 0.840 -3.335 14.702 4.596 -99.200 -91.000 PHE 30 1.000 0.250 16.817 -7.533 -99.200 -91.000 PHE 34 1.000 5.968 18.150 3.410 -99.200 -91.000 TRP 42 1.040 8.335 8.039 -4.784 -99.200 -91.000 TRP6 42 1.020 8.621 6.671 -6.704 -99.200 -91.000 TYR 52 0.840 -2.348 0.546 -11.826 -99.200 -91.000 TYR 57 0.840 -11.401 6.116 -5.578 -99.200 -91.000 HIS 58 0.900 -4.636 8.945 -3.562 -99.200 -91.000 PHE 61 1.000 3.585 17.119 -12.995 -99.200 -91.000 TYR 69 0.840 7.726 16.956 -18.303 -99.200 -91.000 HIS 71 0.900 11.382 12.529 -21.554 -99.200 -91.000 TYR 80 0.840 4.168 -0.231 0.820 -99.200 -91.000 PHE 88 1.000 6.774 9.223 -16.256 -99.200 -91.000 PHE 105 1.000 7.887 15.737 -10.492 -99.200 -91.000 PHE 116 1.000 1.167 2.804 -1.772 -99.200 -91.000 PHE 121 1.000 -0.251 10.064 2.300 -99.200 -91.000 PHE 129 1.000 20.914 12.258 5.759 -99.200 -91.000 PHE 141 1.000 16.258 20.670 4.411 -99.200 -91.000 PHE 155 1.000 14.107 17.682 7.520 -99.200 -91.000 PHE 157 1.000 8.614 16.298 9.569 -99.200 -91.000 TYR 158 0.840 2.299 20.568 16.819 -99.200 -91.000 TYR 159 0.840 3.846 14.173 12.012 -99.200 -91.000 HIS 178 0.900 2.955 24.584 16.946 -99.200 -91.000 TYR 179 0.840 10.934 23.971 20.434 -99.200 -91.000 PHE 183 1.000 14.215 21.110 19.215 -99.200 -91.000 HIS 184 0.900 16.968 17.480 26.515 -99.200 -91.000 TYR 185 0.840 19.875 19.427 19.106 -99.200 -91.000 TRP 194 1.040 16.822 12.296 8.090 -99.200 -91.000 TRP6 194 1.020 18.105 14.033 9.093 -99.200 -91.000 TYR 224 0.840 -0.023 2.811 13.265 -99.200 -91.000 PHE 246 1.000 -4.472 -7.138 7.840 -99.200 -91.000 TYR 248 0.840 0.900 -7.380 18.762 -99.200 -91.000 PHE 263 1.000 9.781 3.942 22.597 -99.200 -91.000 HIS 264 0.900 19.059 5.572 27.762 -99.200 -91.000 TYR 270 0.840 13.677 11.628 24.121 -99.200 -91.000 TYR 277 0.840 1.310 2.476 25.228 -99.200 -91.000 PHE 279 1.000 -4.550 4.948 17.243 -99.200 -91.000 TYR 283 0.840 -11.853 5.937 28.174 -99.200 -91.000 HIS 294 0.900 0.182 -1.049 14.060 -99.200 -91.000 TRP 306 1.040 13.152 -1.190 18.442 -99.200 -91.000 TRP6 306 1.020 11.168 -1.383 19.710 -99.200 -91.000 PHE 312 1.000 10.087 9.390 20.178 -99.200 -91.000 PHE 316 1.000 8.915 12.691 23.787 -99.200 -91.000 TYR 317 0.840 8.785 21.190 16.889 -99.200 -91.000 PHE 320 1.000 13.626 14.372 11.484 -99.200 -91.000 PHE 329 1.000 13.676 12.541 18.979 -99.200 -91.000