============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 27 0.840 61.770 74.611 -16.446 -99.200 -91.000 TYR 33 0.840 71.388 74.443 -23.909 -99.200 -91.000 TRP 35 1.040 63.022 71.005 -22.956 -99.200 -91.000 TRP6 35 1.020 62.360 70.510 -20.742 -99.200 -91.000 HIS 36 0.900 69.826 66.582 -24.022 -99.200 -91.000 TRP 37 1.040 62.732 62.135 -26.572 -99.200 -91.000 TRP6 37 1.020 61.386 60.741 -25.209 -99.200 -91.000 PHE 41 1.000 70.644 50.294 -26.720 -99.200 -91.000 TRP 48 1.040 72.139 62.856 -26.389 -99.200 -91.000 TRP6 48 1.020 72.867 63.499 -28.539 -99.200 -91.000 TYR 51 0.840 70.813 68.922 -28.181 -99.200 -91.000 HIS 53 0.900 68.898 76.030 -28.466 -99.200 -91.000 TYR 54 0.840 66.966 78.898 -26.047 -99.200 -91.000 TYR 60 0.840 67.224 64.627 -34.768 -99.200 -91.000 PHE 79 1.000 61.220 66.399 -24.418 -99.200 -91.000 PHE 80 1.000 54.715 65.506 -29.145 -99.200 -91.000 TYR 94 0.840 63.387 54.069 -26.455 -99.200 -91.000 TYR 95 0.840 65.677 56.269 -18.131 -99.200 -91.000 TYR 104 0.840 80.667 75.968 -12.625 -99.200 -91.000 TYR 109 0.840 74.056 81.031 -14.368 -99.200 -91.000 TRP 114 1.040 68.344 62.219 -16.254 -99.200 -91.000 TRP6 114 1.020 69.204 60.628 -17.767 -99.200 -91.000 TYR 133 0.840 50.099 28.717 -12.096 -99.200 -91.000 TYR 156 0.840 55.404 38.296 -17.338 -99.200 -91.000 PHE 157 1.000 56.771 39.450 -25.544 -99.200 -91.000 TRP 165 1.040 54.506 39.623 -1.718 -99.200 -91.000 TRP6 165 1.020 53.507 37.478 -1.619 -99.200 -91.000 HIS 175 0.900 64.656 38.836 -0.824 -99.200 -91.000 PHE 177 1.000 63.991 35.654 -6.063 -99.200 -91.000 TYR 186 0.840 59.898 38.574 -20.694 -99.200 -91.000 HIS 210 0.900 51.360 41.628 -18.921 -99.200 -91.000