============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 2 0.840 10.175 56.092 41.512 -99.200 -91.000 PHE 10 1.000 5.750 44.507 40.549 -99.200 -91.000 TRP 21 1.040 1.423 33.669 54.916 -99.200 -91.000 TRP6 21 1.020 2.758 31.746 55.317 -99.200 -91.000 TRP 28 1.040 3.158 24.445 57.681 -99.200 -91.000 TRP6 28 1.020 4.843 25.954 56.962 -99.200 -91.000 TRP 31 1.040 1.009 18.180 57.208 -99.200 -91.000 TRP6 31 1.020 2.996 19.099 56.293 -99.200 -91.000 TYR 35 0.840 1.595 15.604 64.184 -99.200 -91.000 HIS 42 0.900 6.204 20.921 59.865 -99.200 -91.000 HIS 43 0.900 10.239 27.494 57.591 -99.200 -91.000 TRP 46 1.040 11.741 21.865 55.665 -99.200 -91.000 TRP6 46 1.020 10.536 20.026 54.786 -99.200 -91.000 TYR 49 0.840 14.901 15.696 57.385 -99.200 -91.000 PHE 62 1.000 19.300 29.007 55.005 -99.200 -91.000 HIS 65 0.900 13.480 40.722 64.659 -99.200 -91.000 PHE 70 1.000 18.407 31.554 72.979 -99.200 -91.000 PHE 72 1.000 7.755 30.406 68.169 -99.200 -91.000 TYR 81 0.840 8.231 17.543 69.821 -99.200 -91.000 PHE 84 1.000 19.012 25.238 72.081 -99.200 -91.000 TYR 88 0.840 26.432 24.762 64.744 -99.200 -91.000 PHE 99 1.000 10.911 16.898 59.260 -99.200 -91.000 TRP 100 1.040 11.711 10.525 59.844 -99.200 -91.000 TRP6 100 1.020 12.797 8.724 60.935 -99.200 -91.000 PHE 106 1.000 2.533 16.853 50.962 -99.200 -91.000 PHE 114 1.000 -1.257 17.981 43.821 -99.200 -91.000 TYR 121 0.840 2.272 17.746 36.895 -99.200 -91.000 HIS 122 0.900 -4.096 18.219 31.011 -99.200 -91.000 PHE 124 1.000 3.509 25.763 30.733 -99.200 -91.000 PHE 127 1.000 3.343 19.950 40.804 -99.200 -91.000 HIS 136 0.900 18.193 40.328 41.942 -99.200 -91.000 TYR 138 0.840 13.628 37.234 52.235 -99.200 -91.000 PHE 142 1.000 15.257 32.971 51.944 -99.200 -91.000 PHE 145 1.000 13.696 28.247 47.626 -99.200 -91.000