============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 34 1.040 58.287 -68.505 82.054 -99.200 -91.000 TRP6 34 1.020 57.035 -70.414 81.477 -99.200 -91.000 TYR 35 0.840 53.873 -63.860 86.895 -99.200 -91.000 TYR 48 0.840 62.260 -58.624 86.094 -99.200 -91.000 PHE 61 1.000 63.186 -71.723 90.206 -99.200 -91.000 TYR 85 0.840 56.872 -74.020 88.658 -99.200 -91.000 TYR 86 0.840 48.860 -70.789 86.581 -99.200 -91.000 TRP 90 1.040 50.626 -55.705 76.133 -99.200 -91.000 TRP6 90 1.020 48.957 -54.871 77.555 -99.200 -91.000 PHE 97 1.000 44.337 -59.661 74.768 -99.200 -91.000 TRP 98 1.040 49.839 -57.997 81.344 -99.200 -91.000 TRP6 98 1.020 51.688 -59.418 81.119 -99.200 -91.000 PHE 100 1.000 48.580 -64.161 84.687 -99.200 -91.000 PHE 121 1.000 41.362 -83.331 119.531 -99.200 -91.000 PHE 142 1.000 47.188 -88.465 104.060 -99.200 -91.000 TYR 143 0.840 54.773 -88.492 98.532 -99.200 -91.000 TRP 151 1.040 34.457 -92.192 110.853 -99.200 -91.000 TRP6 151 1.020 34.855 -91.043 112.890 -99.200 -91.000 TYR 175 0.840 49.577 -84.917 98.886 -99.200 -91.000 TYR 180 0.840 35.361 -82.837 110.302 -99.200 -91.000 TRP 188 1.040 30.338 -89.876 123.296 -99.200 -91.000 TRP6 188 1.020 32.238 -90.863 122.306 -99.200 -91.000 HIS 191 0.900 26.677 -97.469 120.068 -99.200 -91.000 TYR 194 0.840 30.163 -94.665 118.134 -99.200 -91.000 HIS 200 0.900 49.552 -93.758 103.058 -99.200 -91.000