============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 3 1.000 98.256 63.833 -15.792 -99.200 -91.000 TYR 13 0.840 101.200 53.570 6.219 -99.200 -91.000 PHE 18 1.000 111.321 59.595 -0.249 -99.200 -91.000 PHE 26 1.000 117.943 59.584 3.264 -99.200 -91.000 TYR 35 0.840 116.416 62.397 -0.276 -99.200 -91.000 TRP 41 1.040 103.545 63.589 -14.862 -99.200 -91.000 TRP6 41 1.020 104.917 64.464 -13.151 -99.200 -91.000 TYR 50 0.840 103.669 66.790 -17.945 -99.200 -91.000 HIS 57 0.900 92.496 67.171 0.560 -99.200 -91.000 PHE 66 1.000 101.867 72.346 6.286 -99.200 -91.000 HIS 68 0.900 102.806 68.434 3.771 -99.200 -91.000 TRP 69 1.040 107.712 70.340 -3.763 -99.200 -91.000 TRP6 69 1.020 108.401 68.371 -4.897 -99.200 -91.000 HIS 76 0.900 112.169 66.313 -19.952 -99.200 -91.000 PHE 99 1.000 100.792 83.564 7.875 -99.200 -91.000 TYR 119 0.840 108.833 66.785 0.099 -99.200 -91.000 HIS 128 0.900 97.622 63.886 9.076 -99.200 -91.000 HIS 129 0.900 94.679 57.967 3.602 -99.200 -91.000 TYR 130 0.840 100.715 63.696 4.194 -99.200 -91.000 TYR 135 0.840 96.686 71.265 -11.352 -99.200 -91.000 PHE 148 1.000 105.580 79.939 -7.598 -99.200 -91.000 PHE 149 1.000 102.494 83.064 -0.361 -99.200 -91.000 HIS 154 0.900 95.571 76.177 -8.445 -99.200 -91.000 HIS 159 0.900 97.605 79.076 -20.806 -99.200 -91.000 PHE 168 1.000 102.372 60.888 -0.139 -99.200 -91.000 TYR 170 0.840 106.125 60.069 6.646 -99.200 -91.000 PHE 173 1.000 107.769 64.262 14.028 -99.200 -91.000