============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TRP 17 1.040 0.921 9.806 12.929 -99.200 -91.000 TRP6 17 1.020 0.019 8.680 14.801 -99.200 -91.000 TYR 21 0.840 7.866 -3.935 18.597 -99.200 -91.000 PHE 36 1.000 1.448 -5.018 3.012 -99.200 -91.000 TYR 39 0.840 12.109 1.198 7.969 -99.200 -91.000 PHE 40 1.000 2.649 3.709 8.385 -99.200 -91.000 PHE 45 1.000 -5.439 9.840 10.785 -99.200 -91.000 PHE 54 1.000 -2.453 4.661 5.798 -99.200 -91.000 TYR 55 0.840 1.667 11.688 1.947 -99.200 -91.000 PHE 56 1.000 3.761 3.074 2.512 -99.200 -91.000 TRP 64 1.040 16.229 2.880 1.055 -99.200 -91.000 TRP6 64 1.020 14.751 2.182 2.764 -99.200 -91.000 HIS 68 0.900 -0.617 10.069 -1.520 -99.200 -91.000 TYR 79 0.840 -10.289 4.661 7.873 -99.200 -91.000 TYR 83 0.840 1.917 -0.925 -0.488 -99.200 -91.000 PHE 89 1.000 -5.042 0.958 8.732 -99.200 -91.000 HIS 98 0.900 -2.058 4.390 21.487 -99.200 -91.000 HIS 102 0.900 -6.784 -7.404 11.810 -99.200 -91.000 HIS 109 0.900 0.298 -14.648 -7.704 -99.200 -91.000 PHE 119 1.000 1.947 1.842 11.947 -99.200 -91.000 PHE 132 1.000 14.832 26.180 16.586 -99.200 -91.000 TRP 133 1.040 10.544 29.040 15.120 -99.200 -91.000 TRP6 133 1.020 12.141 29.150 13.378 -99.200 -91.000 PHE 149 1.000 18.482 18.467 10.614 -99.200 -91.000 HIS 155 0.900 15.138 9.882 4.586 -99.200 -91.000 HIS 157 0.900 19.116 5.539 2.434 -99.200 -91.000