============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. HIS 3 0.900 39.332 44.533 50.834 -99.200 -91.000 TYR 13 0.840 37.060 32.391 61.384 -99.200 -91.000 PHE 31 1.000 43.997 24.740 62.203 -99.200 -91.000 TYR 34 0.840 41.266 31.888 58.970 -99.200 -91.000 TRP 37 1.040 35.020 34.574 56.370 -99.200 -91.000 TRP6 37 1.020 37.125 35.657 56.199 -99.200 -91.000 TYR 42 0.840 40.803 37.625 52.737 -99.200 -91.000 TYR 64 0.840 47.178 22.690 66.611 -99.200 -91.000 TYR 71 0.840 41.108 15.850 64.961 -99.200 -91.000 PHE 77 1.000 44.241 15.757 59.346 -99.200 -91.000 TRP 81 1.040 45.970 15.303 55.152 -99.200 -91.000 TRP6 81 1.020 48.308 15.674 55.066 -99.200 -91.000 TRP 83 1.040 38.264 20.109 49.174 -99.200 -91.000 TRP6 83 1.020 37.610 21.232 47.189 -99.200 -91.000 TYR 84 0.840 48.534 22.030 50.244 -99.200 -91.000 PHE 88 1.000 46.453 25.931 47.540 -99.200 -91.000 PHE 93 1.000 52.890 10.818 39.739 -99.200 -91.000 HIS 94 0.900 57.947 12.339 40.378 -99.200 -91.000 PHE 100 1.000 46.647 11.123 47.112 -99.200 -91.000 TYR 102 0.840 53.912 13.435 55.946 -99.200 -91.000 PHE 104 1.000 49.926 2.811 52.630 -99.200 -91.000 PHE 115 1.000 45.447 7.103 51.243 -99.200 -91.000 TYR 116 0.840 43.181 2.571 50.749 -99.200 -91.000 PHE 119 1.000 48.656 6.858 46.517 -99.200 -91.000 PHE 128 1.000 53.460 5.468 37.524 -99.200 -91.000 PHE 129 1.000 46.529 3.739 32.062 -99.200 -91.000 TYR 147 0.840 34.411 -3.998 51.261 -99.200 -91.000 TYR 157 0.840 41.561 1.936 36.947 -99.200 -91.000 TYR 182 0.840 57.871 8.805 54.659 -99.200 -91.000 PHE 187 1.000 60.333 22.760 49.209 -99.200 -91.000 PHE 188 1.000 51.979 20.112 51.742 -99.200 -91.000 PHE 192 1.000 53.579 25.406 58.707 -99.200 -91.000