============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. HIS 21 0.900 -1.548 36.176 39.461 -99.200 -91.000 TYR 22 0.840 -2.880 42.922 43.300 -99.200 -91.000 TRP 42 1.040 10.438 36.198 35.365 -99.200 -91.000 TRP6 42 1.020 12.534 35.144 35.727 -99.200 -91.000 PHE 54 1.000 10.282 35.405 41.116 -99.200 -91.000 TRP 70 1.040 7.985 46.263 39.138 -99.200 -91.000 TRP6 70 1.020 6.298 44.619 39.525 -99.200 -91.000 TRP 82 1.040 -8.055 47.658 40.747 -99.200 -91.000 TRP6 82 1.020 -7.008 46.041 42.130 -99.200 -91.000 PHE 103 1.000 12.860 46.125 58.548 -99.200 -91.000 HIS 107 0.900 15.687 50.589 49.676 -99.200 -91.000 PHE 159 1.000 2.575 35.228 66.022 -99.200 -91.000 TYR 163 0.840 11.894 30.261 67.608 -99.200 -91.000 TYR 168 0.840 11.617 42.991 71.241 -99.200 -91.000 PHE 174 1.000 5.510 44.093 63.575 -99.200 -91.000 HIS 175 0.900 -0.605 48.848 62.923 -99.200 -91.000 PHE 183 1.000 1.622 26.659 62.893 -99.200 -91.000 HIS 190 0.900 -3.751 16.603 61.132 -99.200 -91.000 TYR 221 0.840 -15.583 31.995 56.493 -99.200 -91.000 PHE 223 1.000 -11.054 25.975 65.557 -99.200 -91.000 PHE 231 1.000 -9.993 41.771 59.475 -99.200 -91.000 PHE 245 1.000 -8.364 41.812 44.775 -99.200 -91.000