============================================================================= 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. HIS 34 0.900 -4.766 63.109 46.189 -99.200 -91.000 TRP 35 1.040 -6.663 57.125 51.690 -99.200 -91.000 TRP6 35 1.020 -5.397 55.302 52.504 -99.200 -91.000 TYR 36 0.840 -5.480 56.693 43.210 -99.200 -91.000 HIS 41 0.900 -6.971 39.354 36.356 -99.200 -91.000 TYR 50 0.840 -6.145 67.515 46.696 -99.200 -91.000 PHE 62 1.000 -14.936 52.307 49.952 -99.200 -91.000 PHE 71 1.000 -2.137 62.068 55.333 -99.200 -91.000 PHE 83 1.000 -13.765 41.076 51.493 -99.200 -91.000 TYR 86 0.840 -9.385 49.065 49.611 -99.200 -91.000 PHE 87 1.000 -1.933 49.608 45.471 -99.200 -91.000 TRP 94 1.040 8.284 65.093 39.687 -99.200 -91.000 TRP6 94 1.020 6.246 64.281 38.804 -99.200 -91.000 TYR 96 0.840 2.262 64.527 41.984 -99.200 -91.000 PHE 98 1.000 0.647 55.647 42.692 -99.200 -91.000 PHE 118 1.000 0.740 15.256 41.275 -99.200 -91.000 PHE 135 1.000 -0.272 20.715 41.216 -99.200 -91.000 PHE 139 1.000 -1.893 27.597 51.285 -99.200 -91.000 TYR 140 0.840 -7.524 32.628 55.859 -99.200 -91.000 TRP 148 1.040 10.611 21.655 46.246 -99.200 -91.000 TRP6 148 1.020 9.660 19.768 45.186 -99.200 -91.000 TRP 163 1.040 1.786 31.485 47.173 -99.200 -91.000 TRP6 163 1.020 4.035 31.947 46.613 -99.200 -91.000 TYR 173 0.840 -5.192 33.454 50.039 -99.200 -91.000 TYR 186 0.840 13.977 12.599 38.256 -99.200 -91.000 HIS 189 0.900 20.910 13.976 43.599 -99.200 -91.000 TYR 192 0.840 14.355 13.678 43.049 -99.200 -91.000 HIS 198 0.900 -1.413 27.014 56.824 -99.200 -91.000 PHE 209 1.000 9.263 11.514 43.057 -99.200 -91.000