============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 1 0.840 14.660 51.957 22.031 -99.200 -91.000 TRP 7 1.040 18.741 45.269 31.983 -99.200 -91.000 TRP6 7 1.020 20.817 44.962 30.926 -99.200 -91.000 PHE 13 1.000 24.636 41.267 33.644 -99.200 -91.000 TRP 27 1.040 17.323 58.329 48.613 -99.200 -91.000 TRP6 27 1.020 17.716 58.499 50.921 -99.200 -91.000 PHE 29 1.000 16.763 49.106 51.106 -99.200 -91.000 PHE 61 1.000 25.521 65.608 46.315 -99.200 -91.000 HIS 64 0.900 15.609 66.047 53.021 -99.200 -91.000 PHE 75 1.000 21.523 56.653 40.654 -99.200 -91.000 TYR 77 0.840 26.635 60.390 49.545 -99.200 -91.000 TYR 80 0.840 29.749 66.024 42.123 -99.200 -91.000 TYR 90 0.840 27.524 53.170 56.889 -99.200 -91.000 TYR 92 0.840 18.216 49.423 55.944 -99.200 -91.000 HIS 98 0.900 26.107 61.806 64.389 -99.200 -91.000 PHE 101 1.000 32.424 57.072 52.172 -99.200 -91.000 PHE 109 1.000 34.787 53.495 43.754 -99.200 -91.000 TYR 131 0.840 22.928 52.849 26.561 -99.200 -91.000 PHE 136 1.000 9.597 52.635 38.271 -99.200 -91.000 PHE 138 1.000 5.119 52.852 41.998 -99.200 -91.000 PHE 144 1.000 2.407 48.921 44.231 -99.200 -91.000 TYR 147 0.840 1.486 43.415 42.644 -99.200 -91.000 TYR 152 0.840 -1.044 49.442 41.024 -99.200 -91.000 HIS 158 0.900 -3.282 62.204 42.207 -99.200 -91.000 HIS 166 0.900 8.107 52.350 47.086 -99.200 -91.000 TYR 173 0.840 11.395 46.510 27.054 -99.200 -91.000 TYR 180 0.840 4.705 42.571 31.471 -99.200 -91.000 TRP 181 1.040 7.243 50.283 32.640 -99.200 -91.000 TRP6 181 1.020 9.454 50.551 31.829 -99.200 -91.000 TRP 187 1.040 7.792 47.834 50.093 -99.200 -91.000 TRP6 187 1.020 5.545 48.098 49.453 -99.200 -91.000 TRP 191 1.040 4.157 43.686 48.559 -99.200 -91.000 TRP6 191 1.020 4.625 44.563 46.421 -99.200 -91.000 TYR 196 0.840 11.967 41.391 40.890 -99.200 -91.000 PHE 197 1.000 6.084 47.445 41.537 -99.200 -91.000 TYR 214 0.840 20.905 54.924 32.471 -99.200 -91.000