============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TRP 6 1.040 40.158 30.123 17.199 -99.200 -91.000 TRP6 6 1.020 38.904 29.997 15.197 -99.200 -91.000 TYR 16 0.840 22.803 37.628 12.877 -99.200 -91.000 TYR 19 0.840 26.946 39.253 2.868 -99.200 -91.000 HIS 20 0.900 29.717 46.634 6.754 -99.200 -91.000 HIS 25 0.900 27.331 37.818 6.717 -99.200 -91.000 TYR 26 0.840 20.183 34.401 6.557 -99.200 -91.000 TYR 30 0.840 34.853 37.384 13.966 -99.200 -91.000 TYR 39 0.840 42.371 26.127 16.192 -99.200 -91.000 TRP 51 1.040 30.363 21.646 -2.928 -99.200 -91.000 TRP6 51 1.020 31.730 23.558 -2.939 -99.200 -91.000 TYR 54 0.840 20.527 23.241 -0.496 -99.200 -91.000 TYR 70 0.840 21.643 21.381 15.056 -99.200 -91.000 TRP 72 1.040 25.742 25.258 8.380 -99.200 -91.000 TRP6 72 1.020 23.936 26.242 7.231 -99.200 -91.000 TYR 73 0.840 32.755 26.534 13.165 -99.200 -91.000 HIS 75 0.900 30.969 30.660 2.091 -99.200 -91.000 TYR 95 0.840 44.854 23.274 7.607 -99.200 -91.000 HIS 106 0.900 35.125 35.222 4.006 -99.200 -91.000 HIS 108 0.900 28.886 32.872 7.126 -99.200 -91.000 PHE 109 1.000 30.277 30.714 15.130 -99.200 -91.000 TYR 120 0.840 15.709 25.956 12.032 -99.200 -91.000 TYR 127 0.840 28.673 30.166 21.158 -99.200 -91.000