============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 32 0.840 60.778 53.157 91.189 -99.200 -91.000 TYR 34 0.840 59.542 47.613 87.796 -99.200 -91.000 TRP 35 1.040 58.145 48.728 79.225 -99.200 -91.000 TRP6 35 1.020 56.263 48.341 77.876 -99.200 -91.000 TYR 36 0.840 59.463 41.540 83.906 -99.200 -91.000 HIS 38 0.900 56.601 34.094 78.681 -99.200 -91.000 TYR 49 0.840 66.854 49.013 86.418 -99.200 -91.000 HIS 53 0.900 67.140 53.901 85.571 -99.200 -91.000 PHE 62 1.000 64.998 44.659 73.137 -99.200 -91.000 TYR 86 0.840 58.960 42.037 73.108 -99.200 -91.000 TYR 87 0.840 53.157 39.450 78.987 -99.200 -91.000 TRP 91 1.040 56.379 47.834 92.343 -99.200 -91.000 TRP6 91 1.020 55.886 45.799 93.408 -99.200 -91.000 TRP 99 1.040 54.446 42.514 88.935 -99.200 -91.000 TRP6 99 1.020 56.485 43.691 88.890 -99.200 -91.000 PHE 101 1.000 53.709 40.252 85.091 -99.200 -91.000 PHE 122 1.000 33.688 19.736 55.731 -99.200 -91.000 PHE 143 1.000 45.584 31.484 60.612 -99.200 -91.000 TYR 144 0.840 54.059 35.009 58.772 -99.200 -91.000 TRP 152 1.040 31.146 30.363 64.392 -99.200 -91.000 TRP6 152 1.020 30.714 28.516 62.933 -99.200 -91.000 TYR 176 0.840 51.261 30.969 63.255 -99.200 -91.000 TYR 181 0.840 35.512 21.790 66.076 -99.200 -91.000 TRP 189 1.040 21.276 22.017 60.568 -99.200 -91.000 TRP6 189 1.020 22.720 23.529 59.405 -99.200 -91.000 HIS 192 0.900 18.503 30.315 63.346 -99.200 -91.000 TYR 195 0.840 23.009 28.597 62.347 -99.200 -91.000 HIS 201 0.900 45.802 36.774 58.014 -99.200 -91.000