============================================================================= 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. TYR 1 0.840 45.544 -3.698 99.923 -99.200 -91.000 TYR 18 0.840 58.945 10.845 91.496 -99.200 -91.000 TYR 28 0.840 52.781 19.839 77.843 -99.200 -91.000 PHE 30 1.000 44.901 15.387 71.267 -99.200 -91.000 HIS 32 0.900 52.279 7.182 77.093 -99.200 -91.000 TYR 34 0.840 50.867 2.731 76.686 -99.200 -91.000 HIS 36 0.900 49.803 6.586 68.683 -99.200 -91.000 PHE 38 1.000 42.357 3.598 70.277 -99.200 -91.000 TYR 43 0.840 46.209 0.004 77.673 -99.200 -91.000 PHE 53 1.000 41.804 2.043 83.462 -99.200 -91.000 TYR 59 0.840 35.659 6.284 75.476 -99.200 -91.000 TRP 65 1.040 45.552 13.541 78.921 -99.200 -91.000 TRP6 65 1.020 44.228 15.502 78.840 -99.200 -91.000 PHE 68 1.000 41.891 2.662 79.242 -99.200 -91.000 HIS 80 0.900 40.913 11.516 95.823 -99.200 -91.000 PHE 83 1.000 34.580 18.829 96.260 -99.200 -91.000 TYR 85 0.840 45.105 22.957 89.233 -99.200 -91.000 HIS 95 0.900 42.832 -1.659 96.516 -99.200 -91.000 HIS 100 0.900 46.415 11.654 89.108 -99.200 -91.000 HIS 103 0.900 41.656 14.243 87.586 -99.200 -91.000 PHE 105 1.000 36.819 14.444 83.610 -99.200 -91.000 TYR 117 0.840 36.682 5.016 85.189 -99.200 -91.000 PHE 126 1.000 48.839 -2.995 74.917 -99.200 -91.000 TYR 137 0.840 49.786 -8.922 84.305 -99.200 -91.000