============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 2 0.900 91.365 -11.668 33.556 -99.200 -91.000 PHE 3 1.000 84.853 -9.142 29.455 -99.200 -91.000 PHE 4 1.000 85.334 -7.524 36.952 -99.200 -91.000 TRP 14 1.040 64.960 8.238 45.582 -99.200 -91.000 TRP6 14 1.020 65.700 9.957 47.030 -99.200 -91.000 PHE 15 1.000 62.708 0.976 49.948 -99.200 -91.000 TRP 32 1.040 72.528 -2.910 55.387 -99.200 -91.000 TRP6 32 1.020 70.896 -2.758 53.676 -99.200 -91.000 TYR 55 0.840 76.949 0.088 54.241 -99.200 -91.000 PHE 63 1.000 77.350 5.894 47.857 -99.200 -91.000 PHE 69 1.000 69.985 -0.719 48.796 -99.200 -91.000 TYR 93 0.840 65.661 -5.313 60.611 -99.200 -91.000 PHE 96 1.000 61.073 3.798 54.624 -99.200 -91.000 PHE 102 1.000 62.943 -0.658 40.823 -99.200 -91.000 PHE 103 1.000 64.559 6.601 39.225 -99.200 -91.000 TYR 104 0.840 68.601 -3.446 36.611 -99.200 -91.000 PHE 109 1.000 75.833 -6.399 31.497 -99.200 -91.000 HIS 114 0.900 81.997 -13.945 28.970 -99.200 -91.000 TYR 117 0.840 66.076 -16.100 35.637 -99.200 -91.000 HIS 119 0.900 70.888 -9.027 36.393 -99.200 -91.000 PHE 122 1.000 66.066 -3.187 29.792 -99.200 -91.000 PHE 128 1.000 64.244 -11.402 38.956 -99.200 -91.000 PHE 133 1.000 58.936 -3.334 41.598 -99.200 -91.000 TYR 139 0.840 60.987 4.614 29.299 -99.200 -91.000 TRP 149 1.040 71.965 4.096 31.074 -99.200 -91.000 TRP6 149 1.020 69.929 5.119 31.690 -99.200 -91.000 TYR 150 0.840 69.673 -2.240 27.102 -99.200 -91.000 TYR 152 0.840 60.994 -2.628 35.093 -99.200 -91.000 PHE 156 1.000 55.074 4.191 41.821 -99.200 -91.000 PHE 184 1.000 93.360 5.010 38.374 -99.200 -91.000 TYR 185 0.840 97.520 -2.505 35.663 -99.200 -91.000 PHE 215 1.000 88.823 -3.579 44.844 -99.200 -91.000 TYR 220 0.840 90.678 4.529 43.049 -99.200 -91.000 TYR 231 0.840 75.297 9.375 45.244 -99.200 -91.000 TRP 232 1.040 82.551 12.540 45.389 -99.200 -91.000 TRP6 232 1.020 84.732 12.480 44.466 -99.200 -91.000 HIS 235 0.900 82.728 1.206 42.017 -99.200 -91.000 PHE 242 1.000 89.426 -6.895 30.908 -99.200 -91.000 TYR 244 0.840 82.514 0.818 32.432 -99.200 -91.000 PHE 247 1.000 82.111 11.743 38.735 -99.200 -91.000 TYR 256 0.840 75.128 18.340 36.712 -99.200 -91.000 PHE 267 1.000 88.906 8.684 35.988 -99.200 -91.000 PHE 272 1.000 82.554 11.478 27.438 -99.200 -91.000 PHE 277 1.000 67.564 9.158 35.614 -99.200 -91.000 PHE 297 1.000 86.280 13.229 24.588 -99.200 -91.000 PHE 307 1.000 62.482 8.490 32.091 -99.200 -91.000 TYR 310 0.840 63.987 12.085 39.477 -99.200 -91.000 PHE 312 1.000 68.188 9.633 30.893 -99.200 -91.000 PHE 314 1.000 72.891 7.442 25.780 -99.200 -91.000 PHE 317 1.000 79.582 14.121 24.542 -99.200 -91.000