============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 12 1.000 18.838 1.054 58.158 -99.200 -91.000 TRP 14 1.040 16.018 -4.792 55.927 -99.200 -91.000 TRP6 14 1.020 14.983 -4.164 57.960 -99.200 -91.000 TRP 25 1.040 34.696 -13.931 46.390 -99.200 -91.000 TRP6 25 1.020 32.637 -14.353 45.332 -99.200 -91.000 HIS 27 0.900 28.524 -3.366 48.161 -99.200 -91.000 HIS 44 0.900 20.702 -2.423 38.330 -99.200 -91.000 TRP 61 1.040 28.199 -0.447 61.531 -99.200 -91.000 TRP6 61 1.020 30.132 0.323 62.673 -99.200 -91.000 TYR 77 0.840 21.318 -14.851 38.221 -99.200 -91.000 HIS 80 0.900 9.102 -9.353 36.162 -99.200 -91.000 TYR 83 0.840 16.508 -6.025 33.711 -99.200 -91.000 TYR 90 0.840 18.553 0.249 34.256 -99.200 -91.000 HIS 98 0.900 16.016 -18.830 43.816 -99.200 -91.000 TYR 122 0.840 4.472 2.425 51.225 -99.200 -91.000 TRP 132 1.040 28.440 -1.357 53.537 -99.200 -91.000 TRP6 132 1.020 26.847 -3.088 53.864 -99.200 -91.000 TRP 170 1.040 7.124 1.381 35.284 -99.200 -91.000 TRP6 170 1.020 6.448 -0.540 34.106 -99.200 -91.000 HIS 173 0.900 10.419 3.300 37.018 -99.200 -91.000 TRP 209 1.040 16.246 4.027 36.603 -99.200 -91.000 TRP6 209 1.020 15.790 6.273 36.005 -99.200 -91.000 TYR 221 0.840 18.300 15.881 37.285 -99.200 -91.000 TYR 225 0.840 15.594 3.089 46.266 -99.200 -91.000 TYR 231 0.840 7.395 -5.529 39.984 -99.200 -91.000 TRP 234 1.040 8.249 -12.190 39.290 -99.200 -91.000 TRP6 234 1.020 10.327 -11.881 40.380 -99.200 -91.000