============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 4 1.000 85.499 14.429 28.198 -99.200 -91.000 TYR 5 0.840 82.973 5.671 26.792 -99.200 -91.000 PHE 14 1.000 81.287 9.209 30.870 -99.200 -91.000 PHE 21 1.000 72.542 12.537 39.501 -99.200 -91.000 TYR 22 0.840 69.459 8.180 38.963 -99.200 -91.000 TYR 35 0.840 65.949 11.569 39.269 -99.200 -91.000 PHE 50 1.000 72.495 12.917 27.053 -99.200 -91.000 TYR 54 0.840 77.286 16.062 25.161 -99.200 -91.000 TRP 55 1.040 80.591 13.756 28.305 -99.200 -91.000 TRP6 55 1.020 81.621 15.839 27.819 -99.200 -91.000 TYR 61 0.840 69.530 8.660 25.244 -99.200 -91.000 HIS 67 0.900 67.742 12.896 16.402 -99.200 -91.000 HIS 74 0.900 65.298 16.204 31.666 -99.200 -91.000 PHE 77 1.000 59.968 14.021 35.377 -99.200 -91.000 TRP 87 1.040 70.534 16.353 37.683 -99.200 -91.000 TRP6 87 1.020 72.526 16.699 36.444 -99.200 -91.000 HIS 92 0.900 79.285 20.788 40.544 -99.200 -91.000 HIS 107 0.900 90.328 14.870 29.288 -99.200 -91.000 TYR 114 0.840 76.834 18.253 28.560 -99.200 -91.000 HIS 120 0.900 70.186 28.620 33.659 -99.200 -91.000 PHE 127 1.000 55.468 27.854 41.299 -99.200 -91.000