============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 22 1.000 23.851 -8.387 36.153 -99.200 -91.000 PHE 36 1.000 28.032 9.455 39.288 -99.200 -91.000 HIS 43 0.900 26.882 -11.705 33.276 -99.200 -91.000 PHE 46 1.000 31.011 -9.792 26.869 -99.200 -91.000 TRP 51 1.040 28.727 4.941 33.915 -99.200 -91.000 TRP6 51 1.020 29.558 7.036 34.629 -99.200 -91.000 TYR 62 0.840 22.030 18.396 36.031 -99.200 -91.000 TRP 63 1.040 18.904 11.016 32.599 -99.200 -91.000 TRP6 63 1.020 16.906 10.159 31.663 -99.200 -91.000 TYR 66 0.840 26.521 11.514 34.064 -99.200 -91.000 PHE 67 1.000 22.755 11.291 26.368 -99.200 -91.000 TRP 75 1.040 13.233 3.721 28.103 -99.200 -91.000 TRP6 75 1.020 13.935 5.829 28.925 -99.200 -91.000 PHE 109 1.000 16.489 -5.511 31.786 -99.200 -91.000 HIS 135 0.900 20.225 3.999 18.576 -99.200 -91.000 HIS 136 0.900 22.005 -4.408 15.612 -99.200 -91.000 TRP 137 1.040 14.315 -2.254 18.270 -99.200 -91.000 TRP6 137 1.020 12.378 -3.386 19.012 -99.200 -91.000 TRP 156 1.040 19.846 -9.269 22.189 -99.200 -91.000 TRP6 156 1.020 19.575 -6.917 22.322 -99.200 -91.000