============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 5 0.840 81.913 137.019 85.487 -99.200 -91.000 TYR 8 0.840 89.998 134.160 83.382 -99.200 -91.000 HIS 19 0.900 73.046 125.099 70.764 -99.200 -91.000 HIS 25 0.900 59.929 125.242 82.196 -99.200 -91.000 PHE 30 1.000 68.249 114.733 78.973 -99.200 -91.000 HIS 34 0.900 72.881 114.737 80.292 -99.200 -91.000 TRP 40 1.040 80.945 120.874 89.090 -99.200 -91.000 TRP6 40 1.020 82.553 122.293 90.110 -99.200 -91.000 HIS 46 0.900 93.862 121.027 85.351 -99.200 -91.000 PHE 64 1.000 98.248 111.270 100.689 -99.200 -91.000 TRP 81 1.040 73.215 111.975 90.048 -99.200 -91.000 TRP6 81 1.020 72.674 111.631 87.764 -99.200 -91.000 TYR 92 0.840 63.869 111.386 79.194 -99.200 -91.000 TYR 98 0.840 60.519 117.184 69.581 -99.200 -91.000 PHE 105 1.000 77.817 102.787 75.506 -99.200 -91.000 TYR 108 0.840 85.773 114.093 75.113 -99.200 -91.000 TYR 110 0.840 81.141 107.434 83.189 -99.200 -91.000 PHE 115 1.000 89.323 103.951 78.921 -99.200 -91.000 HIS 128 0.900 84.116 108.224 72.998 -99.200 -91.000 HIS 130 0.900 81.486 110.386 66.528 -99.200 -91.000 HIS 134 0.900 85.770 114.414 71.343 -99.200 -91.000 HIS 143 0.900 97.127 101.645 73.943 -99.200 -91.000 TYR 148 0.840 94.400 99.770 92.954 -99.200 -91.000 PHE 160 1.000 104.474 97.524 101.720 -99.200 -91.000 TRP 171 1.040 100.684 99.851 81.346 -99.200 -91.000 TRP6 171 1.020 100.816 99.195 83.620 -99.200 -91.000 TYR 177 0.840 92.665 89.444 95.162 -99.200 -91.000 TRP 185 1.040 96.484 98.005 98.564 -99.200 -91.000 TRP6 185 1.020 97.032 100.272 98.951 -99.200 -91.000 TYR 189 0.840 94.018 99.988 104.718 -99.200 -91.000 HIS 195 0.900 104.422 100.158 106.203 -99.200 -91.000 TRP 196 1.040 99.032 108.794 108.508 -99.200 -91.000 TRP6 196 1.020 97.758 107.903 110.304 -99.200 -91.000 TYR 199 0.840 95.366 104.107 108.118 -99.200 -91.000 PHE 205 1.000 94.168 104.854 94.542 -99.200 -91.000 PHE 212 1.000 82.943 106.325 88.766 -99.200 -91.000 TRP 215 1.040 77.896 110.903 89.282 -99.200 -91.000 TRP6 215 1.020 77.629 109.837 87.165 -99.200 -91.000 PHE 217 1.000 71.462 103.067 94.550 -99.200 -91.000 HIS 219 0.900 73.220 107.714 84.837 -99.200 -91.000 PHE 229 1.000 63.922 97.740 85.378 -99.200 -91.000 TYR 241 0.840 75.676 99.757 79.851 -99.200 -91.000 PHE 251 1.000 90.264 102.456 92.946 -99.200 -91.000 TRP 255 1.040 86.249 98.505 97.693 -99.200 -91.000 TRP6 255 1.020 84.593 99.590 99.009 -99.200 -91.000