============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 4 0.840 27.432 30.857 15.820 -99.200 -91.000 TYR 5 0.840 33.806 25.307 19.500 -99.200 -91.000 HIS 13 0.900 37.695 18.556 20.151 -99.200 -91.000 TRP 20 1.040 34.921 19.435 22.851 -99.200 -91.000 TRP6 20 1.020 35.419 21.038 21.184 -99.200 -91.000 HIS 24 0.900 17.861 21.428 23.916 -99.200 -91.000 TYR 25 0.840 20.355 26.985 21.117 -99.200 -91.000 TYR 28 0.840 25.935 21.131 26.864 -99.200 -91.000 PHE 33 1.000 29.340 15.085 34.573 -99.200 -91.000 HIS 37 0.900 26.567 10.464 32.926 -99.200 -91.000 TRP 56 1.040 19.883 16.685 27.978 -99.200 -91.000 TRP6 56 1.020 20.899 16.784 30.111 -99.200 -91.000 HIS 61 0.900 20.242 13.286 32.133 -99.200 -91.000 PHE 72 1.000 30.506 19.615 32.940 -99.200 -91.000 HIS 78 0.900 28.322 28.391 11.073 -99.200 -91.000