============================================================================= 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 26 0.840 11.785 36.053 48.819 -99.200 -91.000 PHE 28 1.000 7.724 30.562 50.283 -99.200 -91.000 TYR 31 0.840 11.624 39.028 53.625 -99.200 -91.000 TRP 32 1.040 3.507 39.258 56.297 -99.200 -91.000 TRP6 32 1.020 1.675 38.023 57.157 -99.200 -91.000 TRP 35 1.040 -1.810 34.190 46.897 -99.200 -91.000 TRP6 35 1.020 -1.347 33.073 44.865 -99.200 -91.000 TRP 46 1.040 -4.503 41.925 50.186 -99.200 -91.000 TRP6 46 1.020 -5.553 41.333 52.238 -99.200 -91.000 TYR 51 0.840 6.253 35.579 58.475 -99.200 -91.000 TYR 56 0.840 -1.666 35.609 62.132 -99.200 -91.000 HIS 58 0.900 -3.155 39.217 58.442 -99.200 -91.000 TYR 59 0.840 -7.856 33.430 53.876 -99.200 -91.000 PHE 63 1.000 -11.822 38.051 46.496 -99.200 -91.000 TYR 79 0.840 1.495 25.144 46.426 -99.200 -91.000 TYR 92 0.840 -7.903 34.787 40.575 -99.200 -91.000 TYR 93 0.840 -1.095 40.529 38.294 -99.200 -91.000 TRP 100 1.040 9.523 51.125 53.921 -99.200 -91.000 TRP6 100 1.020 7.312 51.787 54.473 -99.200 -91.000 PHE 101 1.000 12.368 49.043 48.472 -99.200 -91.000 TYR 103 0.840 11.221 42.941 44.715 -99.200 -91.000 TRP 104 1.040 3.329 43.594 42.236 -99.200 -91.000 TRP6 104 1.020 0.981 43.557 42.444 -99.200 -91.000 TYR 123 0.840 -2.851 29.850 9.596 -99.200 -91.000 TYR 141 0.840 -5.281 32.188 21.145 -99.200 -91.000 PHE 142 1.000 -11.754 28.895 25.683 -99.200 -91.000 TRP 150 1.040 7.297 40.003 15.632 -99.200 -91.000 TRP6 150 1.020 6.771 38.934 13.586 -99.200 -91.000 HIS 160 0.900 2.295 49.216 16.040 -99.200 -91.000 PHE 162 1.000 -2.569 45.040 15.560 -99.200 -91.000 TYR 171 0.840 -9.988 34.331 23.740 -99.200 -91.000 TRP 184 1.040 11.978 39.521 5.632 -99.200 -91.000 TRP6 184 1.020 10.438 39.418 3.841 -99.200 -91.000 HIS 195 0.900 -2.979 28.200 23.928 -99.200 -91.000