============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 11 0.840 2.632 -6.660 23.174 -99.200 -91.000 HIS 14 0.900 7.882 -13.566 30.302 -99.200 -91.000 PHE 23 1.000 8.124 -6.689 33.474 -99.200 -91.000 TYR 27 0.840 5.557 -1.760 18.961 -99.200 -91.000 PHE 31 1.000 4.341 7.458 18.008 -99.200 -91.000 HIS 32 0.900 7.072 12.592 12.225 -99.200 -91.000 HIS 52 0.900 9.219 6.580 27.881 -99.200 -91.000 PHE 57 1.000 14.483 7.510 13.129 -99.200 -91.000 TRP 61 1.040 12.149 9.320 7.008 -99.200 -91.000 TRP6 61 1.020 14.389 9.333 7.786 -99.200 -91.000 PHE 63 1.000 9.467 10.067 15.736 -99.200 -91.000 TYR 64 0.840 10.583 1.361 16.899 -99.200 -91.000 TYR 67 0.840 4.685 4.953 26.802 -99.200 -91.000 TYR 68 0.840 9.203 -1.366 30.060 -99.200 -91.000 PHE 71 1.000 -0.287 -7.778 33.813 -99.200 -91.000 TYR 79 0.840 -4.319 -5.200 34.620 -99.200 -91.000 HIS 85 0.900 0.156 11.482 17.341 -99.200 -91.000 TRP 96 1.040 -3.724 -8.358 28.069 -99.200 -91.000 TRP6 96 1.020 -3.856 -9.506 30.131 -99.200 -91.000