============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 3 1.000 -57.444 110.803 -13.343 -99.200 -91.000 TYR 12 0.840 -55.171 118.452 -6.375 -99.200 -91.000 PHE 13 1.000 -52.575 114.149 -11.757 -99.200 -91.000 TRP 16 1.040 -45.440 117.775 -5.672 -99.200 -91.000 TRP6 16 1.020 -45.510 117.811 -3.312 -99.200 -91.000 PHE 24 1.000 -46.366 107.977 -1.750 -99.200 -91.000 HIS 26 0.900 -57.192 109.645 -0.071 -99.200 -91.000 TRP 28 1.040 -63.866 106.391 5.315 -99.200 -91.000 TRP6 28 1.020 -64.676 106.231 7.527 -99.200 -91.000 TRP 35 1.040 -50.408 109.297 0.501 -99.200 -91.000 TRP6 35 1.020 -49.570 107.411 1.653 -99.200 -91.000 TYR 37 0.840 -45.136 116.321 7.040 -99.200 -91.000 TYR 41 0.840 -36.878 110.413 3.485 -99.200 -91.000 TYR 47 0.840 -36.533 106.714 -5.418 -99.200 -91.000 PHE 52 1.000 -55.586 108.015 -5.997 -99.200 -91.000 PHE 57 1.000 -63.340 110.085 0.627 -99.200 -91.000 TRP 64 1.040 -76.310 108.591 -5.912 -99.200 -91.000 TRP6 64 1.020 -76.765 109.194 -3.674 -99.200 -91.000 TYR 69 0.840 -61.787 98.981 -1.808 -99.200 -91.000 PHE 72 1.000 -63.279 103.857 -4.309 -99.200 -91.000 HIS 82 0.900 -53.663 112.584 -17.630 -99.200 -91.000 PHE 93 1.000 -53.102 104.896 6.673 -99.200 -91.000 TYR 103 0.840 -53.159 99.363 -11.739 -99.200 -91.000 HIS 107 0.900 -57.038 98.102 -14.886 -99.200 -91.000 PHE 125 1.000 -61.556 97.016 8.591 -99.200 -91.000 TYR 131 0.840 -60.543 86.612 7.764 -99.200 -91.000 PHE 140 1.000 -66.367 97.554 9.335 -99.200 -91.000 PHE 143 1.000 -66.581 102.690 12.031 -99.200 -91.000 PHE 154 1.000 -67.295 108.059 12.516 -99.200 -91.000 PHE 158 1.000 -61.861 106.685 12.601 -99.200 -91.000 PHE 162 1.000 -56.209 107.872 11.265 -99.200 -91.000 TYR 163 0.840 -53.753 111.172 13.678 -99.200 -91.000 PHE 198 1.000 -64.006 101.347 5.429 -99.200 -91.000 PHE 203 1.000 -59.757 94.708 -1.129 -99.200 -91.000 HIS 218 0.900 -51.787 96.583 9.960 -99.200 -91.000 PHE 227 1.000 -49.524 92.246 12.743 -99.200 -91.000 TYR 246 0.840 -43.144 101.134 11.217 -99.200 -91.000 HIS 251 0.900 -55.434 102.705 10.305 -99.200 -91.000 PHE 253 1.000 -47.870 102.714 9.795 -99.200 -91.000 HIS 257 0.900 -44.515 104.756 15.171 -99.200 -91.000 PHE 268 1.000 -40.664 97.627 -1.611 -99.200 -91.000