============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TRP 6 1.040 3.480 -10.281 -5.425 -99.200 -91.000 TRP6 6 1.020 4.973 -11.771 -4.343 -99.200 -91.000 PHE 7 1.000 5.030 -8.947 2.859 -99.200 -91.000 HIS 10 0.900 -0.355 -11.661 -2.548 -99.200 -91.000 HIS 12 0.900 -4.632 -9.713 8.169 -99.200 -91.000 HIS 14 0.900 -5.522 -5.691 10.706 -99.200 -91.000 TYR 16 0.840 -1.125 -3.962 16.325 -99.200 -91.000 HIS 24 0.900 0.504 -9.666 24.671 -99.200 -91.000 TYR 33 0.840 2.271 -9.619 13.794 -99.200 -91.000 TYR 34 0.840 7.311 -4.440 5.535 -99.200 -91.000 TYR 56 0.840 14.719 1.336 20.958 -99.200 -91.000 PHE 62 1.000 9.653 -8.884 5.931 -99.200 -91.000 PHE 69 1.000 12.294 -19.140 8.552 -99.200 -91.000 TRP 78 1.040 5.692 -9.867 26.593 -99.200 -91.000 TRP6 78 1.020 7.230 -11.102 27.884 -99.200 -91.000 TYR 92 0.840 4.733 -17.792 10.930 -99.200 -91.000 PHE 95 1.000 6.795 -14.320 3.959 -99.200 -91.000 PHE 129 1.000 33.956 -10.491 25.464 -99.200 -91.000 HIS 152 0.900 23.599 21.332 22.346 -99.200 -91.000 HIS 192 0.900 18.244 21.759 30.004 -99.200 -91.000 TYR 199 0.840 29.385 18.108 26.065 -99.200 -91.000