============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 12 1.000 -15.231 39.909 86.067 -99.200 -91.000 HIS 18 0.900 -14.820 21.319 90.577 -99.200 -91.000 TYR 22 0.840 -26.272 32.922 85.722 -99.200 -91.000 HIS 28 0.900 -21.496 46.212 94.319 -99.200 -91.000 PHE 38 1.000 -14.980 35.260 97.649 -99.200 -91.000 PHE 39 1.000 -24.508 39.674 100.776 -99.200 -91.000 TYR 44 0.840 -21.289 41.344 104.169 -99.200 -91.000 HIS 49 0.900 -5.877 31.012 108.107 -99.200 -91.000 PHE 51 1.000 -14.224 32.945 107.897 -99.200 -91.000 HIS 54 0.900 -13.989 19.619 98.724 -99.200 -91.000 HIS 57 0.900 -10.497 16.676 92.383 -99.200 -91.000 PHE 63 1.000 -19.006 32.912 109.520 -99.200 -91.000 HIS 73 0.900 -8.966 29.318 88.346 -99.200 -91.000 HIS 79 0.900 -1.309 37.294 96.826 -99.200 -91.000 TRP 103 1.040 -7.504 37.644 78.782 -99.200 -91.000 TRP6 103 1.020 -5.535 38.955 78.779 -99.200 -91.000 PHE 105 1.000 -12.510 36.011 87.421 -99.200 -91.000 TYR 106 0.840 -3.510 40.960 84.822 -99.200 -91.000 TYR 122 0.840 2.859 44.667 100.451 -99.200 -91.000 PHE 123 1.000 1.765 35.903 106.603 -99.200 -91.000 TYR 150 0.840 3.115 22.913 90.935 -99.200 -91.000 PHE 154 1.000 2.537 17.971 85.282 -99.200 -91.000 PHE 157 1.000 1.633 15.894 76.635 -99.200 -91.000 PHE 163 1.000 6.313 30.393 84.452 -99.200 -91.000 PHE 165 1.000 4.298 36.194 89.871 -99.200 -91.000 PHE 179 1.000 -2.947 20.870 85.054 -99.200 -91.000 PHE 181 1.000 -2.552 15.140 84.176 -99.200 -91.000 TRP 183 1.040 -4.758 9.620 84.626 -99.200 -91.000 TRP6 183 1.020 -3.131 10.556 83.181 -99.200 -91.000 HIS 187 0.900 -11.887 10.475 92.191 -99.200 -91.000 TYR 211 0.840 -8.345 13.623 74.945 -99.200 -91.000 TYR 218 0.840 1.676 30.754 78.052 -99.200 -91.000 HIS 225 0.900 -4.830 26.955 86.327 -99.200 -91.000 PHE 228 1.000 -4.619 32.472 88.069 -99.200 -91.000 TYR 235 0.840 -5.166 38.801 98.431 -99.200 -91.000 PHE 245 1.000 5.250 31.630 99.536 -99.200 -91.000 TYR 246 0.840 10.667 23.411 94.775 -99.200 -91.000 PHE 248 1.000 8.563 17.036 93.383 -99.200 -91.000 HIS 252 0.900 -6.582 24.593 94.611 -99.200 -91.000