============================================================================= 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 1 1.000 -14.308 49.455 112.456 -99.200 -91.000 PHE 3 1.000 -9.225 55.325 111.944 -99.200 -91.000 HIS 12 0.900 -16.587 63.022 138.692 -99.200 -91.000 TRP 23 1.040 -17.998 47.257 137.641 -99.200 -91.000 TRP6 23 1.020 -18.539 49.130 136.313 -99.200 -91.000 PHE 25 1.000 -11.933 47.625 139.388 -99.200 -91.000 TRP 28 1.040 -2.264 55.892 132.743 -99.200 -91.000 TRP6 28 1.020 -3.291 54.422 131.240 -99.200 -91.000 TYR 31 0.840 -2.303 66.062 122.939 -99.200 -91.000 HIS 39 0.900 -2.959 43.730 106.347 -99.200 -91.000 TYR 56 0.840 0.752 62.496 117.857 -99.200 -91.000 HIS 69 0.900 -1.674 40.688 113.526 -99.200 -91.000 HIS 70 0.900 -7.517 46.944 108.422 -99.200 -91.000 PHE 88 1.000 -2.479 69.717 129.828 -99.200 -91.000 PHE 101 1.000 -2.113 54.124 120.870 -99.200 -91.000 TRP 102 1.040 1.663 54.056 127.828 -99.200 -91.000 TRP6 102 1.020 1.693 54.547 130.134 -99.200 -91.000 PHE 104 1.000 -7.526 53.732 126.479 -99.200 -91.000 TYR 108 0.840 -11.399 45.615 110.934 -99.200 -91.000 TYR 119 0.840 -12.569 45.864 129.140 -99.200 -91.000 PHE 149 1.000 -9.353 55.641 143.469 -99.200 -91.000 HIS 155 0.900 1.192 50.777 138.996 -99.200 -91.000 TRP 157 1.040 0.020 55.099 136.569 -99.200 -91.000 TRP6 157 1.020 -0.656 52.922 135.965 -99.200 -91.000 TYR 169 0.840 -14.965 51.966 121.817 -99.200 -91.000 TRP 178 1.040 -15.687 52.196 128.990 -99.200 -91.000 TRP6 178 1.020 -14.118 53.238 127.557 -99.200 -91.000 HIS 183 0.900 -5.385 57.539 142.900 -99.200 -91.000 TRP 184 1.040 -4.687 63.424 146.014 -99.200 -91.000 TRP6 184 1.020 -5.542 63.299 148.226 -99.200 -91.000 TRP 194 1.040 -13.165 80.895 163.663 -99.200 -91.000 TRP6 194 1.020 -12.193 80.580 165.803 -99.200 -91.000 PHE 211 1.000 -20.298 70.121 158.834 -99.200 -91.000 HIS 234 0.900 -16.549 87.177 165.175 -99.200 -91.000 PHE 240 1.000 -22.702 75.299 158.444 -99.200 -91.000 TYR 254 0.840 -22.788 78.654 164.140 -99.200 -91.000 TYR 265 0.840 -13.672 66.226 146.896 -99.200 -91.000 TRP 268 1.040 -18.652 64.913 146.757 -99.200 -91.000 TRP6 268 1.020 -19.401 66.817 147.915 -99.200 -91.000 TRP 279 1.040 -6.710 77.119 153.173 -99.200 -91.000 TRP6 279 1.020 -9.010 77.637 153.332 -99.200 -91.000