============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 27 0.840 11.131 -28.039 5.155 -99.200 -91.000 PHE 29 1.000 10.193 -27.279 -1.684 -99.200 -91.000 PHE 32 1.000 6.007 -30.551 6.470 -99.200 -91.000 TYR 33 0.840 -0.342 -25.625 2.078 -99.200 -91.000 TYR 35 0.840 2.799 -20.893 4.729 -99.200 -91.000 TRP 36 1.040 7.484 -17.480 -1.830 -99.200 -91.000 TRP6 36 1.020 9.765 -16.884 -2.048 -99.200 -91.000 TRP 47 1.040 0.694 -15.119 3.076 -99.200 -91.000 TRP6 47 1.020 -1.311 -15.532 1.895 -99.200 -91.000 TYR 60 0.840 -0.442 -16.770 -6.557 -99.200 -91.000 PHE 64 1.000 1.469 -8.462 -3.063 -99.200 -91.000 TYR 80 0.840 12.881 -21.583 -8.379 -99.200 -91.000 TYR 93 0.840 9.578 -8.809 -2.721 -99.200 -91.000 TYR 94 0.840 12.235 -11.286 5.448 -99.200 -91.000 TRP 100 1.040 9.240 -29.475 13.926 -99.200 -91.000 TRP6 100 1.020 10.938 -28.062 13.086 -99.200 -91.000 PHE 105 1.000 3.749 -17.500 7.424 -99.200 -91.000 TRP 108 1.040 9.851 -16.177 9.482 -99.200 -91.000 TRP6 108 1.020 8.595 -14.505 8.379 -99.200 -91.000 PHE 127 1.000 27.328 17.265 -3.062 -99.200 -91.000 TYR 150 0.840 22.696 5.733 -1.377 -99.200 -91.000 PHE 151 1.000 18.544 1.566 -7.714 -99.200 -91.000 TRP 159 1.040 31.384 10.267 10.774 -99.200 -91.000 TRP6 159 1.020 31.754 12.409 9.831 -99.200 -91.000 HIS 169 0.900 22.935 10.655 16.839 -99.200 -91.000 PHE 171 1.000 20.132 11.532 11.191 -99.200 -91.000 TYR 181 0.840 17.207 4.037 -2.013 -99.200 -91.000 TYR 199 0.840 36.261 16.052 14.110 -99.200 -91.000 HIS 205 0.900 26.171 2.421 -3.986 -99.200 -91.000