============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 3 1.000 14.663 12.849 28.757 -99.200 -91.000 TYR 11 0.840 7.705 31.534 21.286 -99.200 -91.000 TRP 14 1.040 18.632 29.073 19.253 -99.200 -91.000 TRP6 14 1.020 17.125 30.837 18.786 -99.200 -91.000 TRP 37 1.040 18.279 17.817 19.216 -99.200 -91.000 TRP6 37 1.020 19.030 19.034 21.099 -99.200 -91.000 TRP 51 1.040 17.362 26.087 29.817 -99.200 -91.000 TRP6 51 1.020 19.054 24.579 30.508 -99.200 -91.000 TYR 57 0.840 19.813 37.831 17.912 -99.200 -91.000 PHE 58 1.000 23.447 30.649 20.748 -99.200 -91.000 PHE 80 1.000 21.314 22.608 36.097 -99.200 -91.000 PHE 90 1.000 15.992 15.055 32.496 -99.200 -91.000 TYR 95 0.840 18.733 4.072 45.615 -99.200 -91.000 TYR 99 0.840 11.709 8.736 41.783 -99.200 -91.000 PHE 108 1.000 5.590 29.872 31.849 -99.200 -91.000 PHE 114 1.000 9.979 15.660 31.712 -99.200 -91.000 PHE 152 1.000 11.124 41.301 45.288 -99.200 -91.000 TYR 157 0.840 10.134 36.481 48.301 -99.200 -91.000 TYR 169 0.840 6.254 38.650 44.730 -99.200 -91.000 PHE 172 1.000 1.694 34.635 38.402 -99.200 -91.000 PHE 173 1.000 6.084 32.044 39.138 -99.200 -91.000 PHE 181 1.000 8.501 20.138 43.013 -99.200 -91.000 TYR 183 0.840 6.692 26.757 48.867 -99.200 -91.000 TYR 199 0.840 10.823 10.224 30.858 -99.200 -91.000 PHE 203 1.000 10.855 23.511 24.860 -99.200 -91.000