============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 1 0.840 14.124 18.437 129.905 -99.200 -91.000 TRP 7 1.040 6.328 15.507 139.752 -99.200 -91.000 TRP6 7 1.020 5.377 13.769 138.496 -99.200 -91.000 PHE 13 1.000 0.998 11.431 140.303 -99.200 -91.000 TRP 27 1.040 17.871 12.883 156.817 -99.200 -91.000 TRP6 27 1.020 18.320 13.228 159.075 -99.200 -91.000 PHE 29 1.000 9.431 15.593 158.868 -99.200 -91.000 PHE 61 1.000 23.355 2.786 154.107 -99.200 -91.000 HIS 64 0.900 25.562 12.502 162.050 -99.200 -91.000 PHE 75 1.000 16.068 9.742 148.288 -99.200 -91.000 TYR 77 0.840 17.638 3.301 157.092 -99.200 -91.000 TYR 80 0.840 22.839 -0.662 150.208 -99.200 -91.000 TYR 90 0.840 9.709 3.984 163.710 -99.200 -91.000 TYR 92 0.840 8.747 14.006 163.497 -99.200 -91.000 HIS 98 0.900 17.159 3.108 172.523 -99.200 -91.000 PHE 101 1.000 13.217 -2.161 159.043 -99.200 -91.000 PHE 109 1.000 9.500 -2.555 150.431 -99.200 -91.000 TYR 131 0.840 13.295 10.062 134.158 -99.200 -91.000 PHE 136 1.000 15.690 21.839 146.440 -99.200 -91.000 PHE 138 1.000 16.492 26.185 150.783 -99.200 -91.000 PHE 144 1.000 13.457 29.557 152.806 -99.200 -91.000 TYR 147 0.840 8.343 32.361 150.709 -99.200 -91.000 TYR 152 0.840 15.217 32.905 149.875 -99.200 -91.000 HIS 158 0.900 27.647 31.574 151.984 -99.200 -91.000 HIS 166 0.900 14.853 23.592 155.408 -99.200 -91.000 TYR 173 0.840 10.081 22.681 135.340 -99.200 -91.000 TYR 180 0.840 7.191 29.696 139.716 -99.200 -91.000 TRP 181 1.040 14.488 25.215 141.225 -99.200 -91.000 TRP6 181 1.020 13.972 23.225 140.063 -99.200 -91.000 TRP 187 1.040 10.355 24.474 158.465 -99.200 -91.000 TRP6 187 1.020 11.261 26.466 157.595 -99.200 -91.000 TRP 191 1.040 7.847 29.042 156.195 -99.200 -91.000 TRP6 191 1.020 8.106 28.115 154.039 -99.200 -91.000 TYR 196 0.840 3.782 22.607 148.450 -99.200 -91.000 PHE 197 1.000 11.496 26.986 149.490 -99.200 -91.000 TYR 214 0.840 15.405 11.002 139.684 -99.200 -91.000