============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 2 1.000 29.286 -12.529 14.081 -99.200 -91.000 TYR 8 0.840 24.162 -9.906 13.791 -99.200 -91.000 TYR 13 0.840 28.338 -15.001 -2.190 -99.200 -91.000 TRP 23 1.040 7.925 -23.809 6.010 -99.200 -91.000 TRP6 23 1.020 8.665 -22.337 4.317 -99.200 -91.000 TYR 36 0.840 8.395 -17.057 3.307 -99.200 -91.000 TRP 48 1.040 17.432 -16.456 12.585 -99.200 -91.000 TRP6 48 1.020 16.720 -18.551 13.405 -99.200 -91.000 TYR 62 0.840 29.316 -15.948 18.467 -99.200 -91.000 HIS 68 0.900 6.727 -15.580 16.995 -99.200 -91.000 TYR 71 0.840 11.142 -23.492 21.643 -99.200 -91.000 PHE 72 1.000 18.595 -22.225 23.054 -99.200 -91.000 HIS 80 0.900 17.176 -34.627 8.606 -99.200 -91.000 TRP 96 1.040 24.682 -23.257 15.279 -99.200 -91.000 TRP6 96 1.020 24.586 -24.639 13.357 -99.200 -91.000 HIS 104 0.900 34.963 -9.480 -6.917 -99.200 -91.000 TYR 106 0.840 29.821 -9.029 -3.277 -99.200 -91.000 PHE 109 1.000 31.181 -12.735 8.687 -99.200 -91.000 TYR 126 0.840 25.974 -25.441 -4.732 -99.200 -91.000 HIS 129 0.900 14.405 -19.360 -8.055 -99.200 -91.000 TRP 147 1.040 24.862 -19.066 5.630 -99.200 -91.000 TRP6 147 1.020 22.570 -19.383 5.163 -99.200 -91.000 TYR 148 0.840 26.005 -10.835 1.809 -99.200 -91.000 PHE 149 1.000 25.896 -14.113 10.769 -99.200 -91.000