============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 9 0.840 25.736 7.891 -5.686 -99.200 -91.000 TRP 16 1.040 19.111 5.899 9.417 -99.200 -91.000 TRP6 16 1.020 18.939 8.152 8.881 -99.200 -91.000 PHE 19 1.000 23.530 15.364 16.128 -99.200 -91.000 PHE 23 1.000 27.189 19.170 20.870 -99.200 -91.000 TRP 30 1.040 25.106 11.821 12.868 -99.200 -91.000 TRP6 30 1.020 26.579 13.495 12.124 -99.200 -91.000 HIS 34 0.900 30.956 17.534 0.488 -99.200 -91.000 TRP 41 1.040 28.755 21.332 8.780 -99.200 -91.000 TRP6 41 1.020 27.288 20.211 10.262 -99.200 -91.000 PHE 45 1.000 20.976 16.078 11.067 -99.200 -91.000 PHE 53 1.000 19.012 18.322 15.785 -99.200 -91.000 HIS 56 0.900 21.038 24.623 16.667 -99.200 -91.000 HIS 58 0.900 21.800 26.902 11.772 -99.200 -91.000 TYR 64 0.840 14.153 23.378 7.059 -99.200 -91.000 PHE 65 1.000 13.137 17.693 0.038 -99.200 -91.000 TYR 88 0.840 14.591 25.912 0.865 -99.200 -91.000 TYR 90 0.840 18.837 31.438 3.300 -99.200 -91.000 HIS 97 0.900 17.890 27.013 13.703 -99.200 -91.000 PHE 102 1.000 13.307 17.453 14.289 -99.200 -91.000 PHE 108 1.000 16.768 17.990 9.995 -99.200 -91.000 TYR 109 0.840 20.432 17.061 1.579 -99.200 -91.000 PHE 111 1.000 23.692 21.813 9.200 -99.200 -91.000 PHE 117 1.000 24.980 22.344 19.085 -99.200 -91.000 TRP 130 1.040 35.465 21.693 8.131 -99.200 -91.000 TRP6 130 1.020 37.061 20.053 7.649 -99.200 -91.000 TRP 137 1.040 29.942 9.529 8.860 -99.200 -91.000 TRP6 137 1.020 27.816 8.622 9.293 -99.200 -91.000