============================================================================= 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 26 0.840 26.469 8.113 34.469 -99.200 -91.000 TRP 43 1.040 17.577 31.889 20.639 -99.200 -91.000 TRP6 43 1.020 18.530 30.803 18.766 -99.200 -91.000 PHE 55 1.000 22.343 19.603 24.421 -99.200 -91.000 PHE 65 1.000 12.997 29.580 34.197 -99.200 -91.000 TRP 90 1.040 30.419 39.009 18.954 -99.200 -91.000 TRP6 90 1.020 31.813 37.129 19.278 -99.200 -91.000 TRP 93 1.040 29.606 38.795 27.370 -99.200 -91.000 TRP6 93 1.020 29.369 36.538 28.011 -99.200 -91.000 PHE 94 1.000 28.449 35.617 23.252 -99.200 -91.000 HIS 97 0.900 33.837 32.818 27.591 -99.200 -91.000 PHE 98 1.000 32.458 31.108 21.935 -99.200 -91.000 TYR 107 0.840 29.153 32.447 18.505 -99.200 -91.000 PHE 112 1.000 15.010 23.666 26.608 -99.200 -91.000 HIS 116 0.900 5.630 17.875 30.661 -99.200 -91.000 TYR 119 0.840 4.638 26.227 34.584 -99.200 -91.000 TRP 120 1.040 8.785 22.473 42.147 -99.200 -91.000 TRP6 120 1.020 9.910 21.765 40.185 -99.200 -91.000 PHE 125 1.000 4.677 19.406 40.974 -99.200 -91.000 HIS 127 0.900 5.564 17.096 35.085 -99.200 -91.000