============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 5 1.000 142.852 27.750 74.329 -99.200 -91.000 TRP 10 1.040 132.756 36.614 77.615 -99.200 -91.000 TRP6 10 1.020 134.280 36.165 75.867 -99.200 -91.000 HIS 11 0.900 127.009 35.416 83.588 -99.200 -91.000 HIS 13 0.900 123.919 41.205 85.766 -99.200 -91.000 HIS 15 0.900 120.494 45.698 78.413 -99.200 -91.000 TYR 19 0.840 113.925 55.610 89.560 -99.200 -91.000 PHE 22 1.000 116.294 45.434 79.582 -99.200 -91.000 TYR 27 0.840 130.292 29.931 79.439 -99.200 -91.000 TRP 33 1.040 138.824 30.755 63.554 -99.200 -91.000 TRP6 33 1.020 138.015 29.588 61.660 -99.200 -91.000 TYR 47 0.840 137.483 25.948 76.343 -99.200 -91.000 HIS 50 0.900 132.565 27.529 83.787 -99.200 -91.000 PHE 56 1.000 144.990 23.771 87.415 -99.200 -91.000 TYR 66 0.840 146.265 17.888 79.787 -99.200 -91.000 PHE 79 1.000 145.387 29.299 85.767 -99.200 -91.000 PHE 86 1.000 137.791 35.198 97.843 -99.200 -91.000 TYR 87 0.840 133.602 32.267 96.974 -99.200 -91.000 TYR 102 0.840 153.015 21.000 81.862 -99.200 -91.000 TYR 114 0.840 140.955 44.649 77.057 -99.200 -91.000 PHE 117 1.000 151.524 37.917 78.098 -99.200 -91.000 TYR 125 0.840 148.831 35.170 84.687 -99.200 -91.000 HIS 159 0.900 161.448 30.035 65.726 -99.200 -91.000 PHE 165 1.000 153.419 30.763 59.602 -99.200 -91.000 TYR 168 0.840 154.057 37.439 59.242 -99.200 -91.000 PHE 171 1.000 147.860 40.282 65.166 -99.200 -91.000 TYR 174 0.840 151.695 45.930 71.153 -99.200 -91.000 PHE 197 1.000 158.163 30.234 69.698 -99.200 -91.000 TYR 200 0.840 161.380 27.764 85.168 -99.200 -91.000 PHE 208 1.000 150.130 36.064 68.792 -99.200 -91.000 HIS 214 0.900 139.362 45.329 71.049 -99.200 -91.000 TRP 215 1.040 143.758 44.226 71.957 -99.200 -91.000 TRP6 215 1.020 145.209 43.669 73.750 -99.200 -91.000 PHE 220 1.000 146.023 36.243 64.296 -99.200 -91.000 TRP 222 1.040 147.975 35.427 57.696 -99.200 -91.000 TRP6 222 1.020 149.479 34.802 59.430 -99.200 -91.000 PHE 224 1.000 150.925 31.303 55.298 -99.200 -91.000 TYR 225 0.840 143.644 31.997 63.801 -99.200 -91.000 TRP 229 1.040 146.939 30.592 66.766 -99.200 -91.000 TRP6 229 1.020 147.900 31.924 68.476 -99.200 -91.000 PHE 235 1.000 160.841 26.117 68.615 -99.200 -91.000