============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 4 0.840 25.566 32.567 -40.954 -99.200 -91.000 HIS 20 0.900 26.127 21.966 -25.742 -99.200 -91.000 TYR 49 0.840 32.419 33.837 -32.888 -99.200 -91.000 TRP 55 1.040 20.084 29.165 -39.082 -99.200 -91.000 TRP6 55 1.020 20.173 26.926 -38.316 -99.200 -91.000 HIS 57 0.900 18.537 31.636 -28.603 -99.200 -91.000 HIS 59 0.900 16.465 27.984 -38.591 -99.200 -91.000 TYR 61 0.840 19.447 22.518 -34.660 -99.200 -91.000 PHE 67 1.000 20.715 23.838 -20.153 -99.200 -91.000 PHE 71 1.000 21.067 21.981 -14.327 -99.200 -91.000 TYR 80 0.840 22.729 16.825 -6.453 -99.200 -91.000 TRP 110 1.040 11.737 22.803 -4.579 -99.200 -91.000 TRP6 110 1.020 13.340 21.826 -6.017 -99.200 -91.000 TYR 122 0.840 21.108 10.377 7.025 -99.200 -91.000 PHE 130 1.000 21.736 18.779 18.989 -99.200 -91.000 PHE 139 1.000 22.040 13.499 2.435 -99.200 -91.000 TYR 142 0.840 27.727 21.429 3.264 -99.200 -91.000 TYR 145 0.840 16.476 18.533 -1.013 -99.200 -91.000 TRP 154 1.040 13.608 14.767 12.058 -99.200 -91.000 TRP6 154 1.020 15.001 15.970 10.566 -99.200 -91.000