NMR [Phe]Ascidiacyclamide PDB
ATOM 1 S AAA A 1 2.254 -3.045 -3.898 1.00 0.05
ATOM 2 S AAA A 2 -2.208 -4.319 -1.037 1.00 0.05
ATOM 3 N1 AAA A 3 0.886 0.742 -4.491 1.00 0.05
ATOM 4 N AAA A 4 1.412 -0.988 -2.554 1.00 0.05
ATOM 5 N2 AAA A 5 1.841 -0.346 0.206 1.00 0.05
ATOM 6 N AAA A 6 0.999 -1.158 3.455 1.00 0.05
ATOM 7 N3 AAA A 7 -0.362 -3.152 2.406 1.00 0.05
ATOM 8 N AAA A 8 -1.078 -2.225 0.008 1.00 0.05
ATOM 9 N4 AAA A 9 -1.270 0.547 -0.880 1.00 0.05
ATOM 10 N AAA A 10 -0.061 2.883 -3.233 1.00 0.05
ATOM 11 O AAA A 11 2.210 -2.540 0.670 1.00 0.05
ATOM 12 O AAA A 12 -0.290 0.344 2.338 1.00 0.05
ATOM 13 O AAA A 13 -2.056 -3.035 3.918 1.00 0.05
ATOM 14 O AAA A 14 -1.808 -0.199 -2.955 1.00 0.05
ATOM 15 O AAA A 15 1.118 2.139 -1.441 1.00 0.05
ATOM 16 O AAA A 16 2.705 1.850 -5.291 1.00 0.05
ATOM 17 C AAA A 17 1.517 -1.435 -3.824 1.00 0.05
ATOM 18 C AAA A 18 1.220 -0.560 -5.050 1.00 0.05
ATOM 19 C AAA A 19 0.036 -1.045 -5.914 1.00 0.05
ATOM 20 C AAA A 20 0.244 -2.459 -6.479 1.00 0.05
ATOM 21 C AAA A 21 -0.238 -0.060 -7.061 1.00 0.05
ATOM 22 C AAA A 22 2.019 -1.635 -0.133 1.00 0.05
ATOM 23 C AAA A 23 1.969 -1.936 -1.583 1.00 0.05
ATOM 24 C AAA A 24 2.442 -3.051 -2.157 1.00 0.05
ATOM 25 C AAA A 25 0.910 -0.248 2.477 1.00 0.05
ATOM 26 C AAA A 26 2.080 0.133 1.564 1.00 0.05
ATOM 27 C AAA A 27 2.278 1.658 1.509 1.00 0.05
ATOM 28 CA AAA A 28 2.536 2.263 2.862 1.00 0.05
ATOM 29 CB AAA A 28 1.562 3.037 3.485 1.00 0.05
ATOM 30 CC AAA A 28 3.750 2.056 3.508 1.00 0.05
ATOM 31 CD AAA A 28 1.796 3.596 4.734 1.00 0.05
ATOM 32 CE AAA A 28 3.988 2.613 4.758 1.00 0.05
ATOM 33 CF AAA A 28 3.010 3.384 5.373 1.00 0.05
ATOM 34 C AAA A 29 -1.016 -2.603 3.441 1.00 0.05
ATOM 35 C AAA A 30 -0.368 -1.304 3.958 1.00 0.05
ATOM 36 C AAA A 31 -1.116 -0.063 3.405 1.00 0.05
ATOM 37 C AAA A 32 -1.207 1.060 4.443 1.00 0.05
ATOM 38 C AAA A 33 -1.293 -3.536 0.263 1.00 0.05
ATOM 39 C AAA A 34 -0.946 -4.211 1.597 1.00 0.05
ATOM 40 C AAA A 35 0.072 -5.370 1.503 1.00 0.05
ATOM 41 C AAA A 36 -0.383 -6.506 0.574 1.00 0.05
ATOM 42 C AAA A 37 0.383 -5.932 2.899 1.00 0.05
ATOM 43 C AAA A 38 -1.588 -0.413 -1.768 1.00 0.05
ATOM 44 C AAA A 39 -1.662 -1.806 -1.270 1.00 0.05
ATOM 45 C AAA A 40 -2.280 -2.807 -1.913 1.00 0.05
ATOM 46 C AAA A 41 -0.081 2.343 -2.008 1.00 0.05
ATOM 47 C AAA A 42 -1.361 1.954 -1.264 1.00 0.05
ATOM 48 C AAA A 43 -1.584 2.842 -0.019 1.00 0.05
ATOM 49 C AAA A 44 -2.782 2.341 0.813 1.00 0.05
ATOM 50 C AAA A 45 -3.132 3.252 1.996 1.00 0.05
ATOM 51 C AAA A 46 -1.763 4.319 -0.418 1.00 0.05
ATOM 52 C AAA A 47 1.717 1.794 -4.572 1.00 0.05
ATOM 53 C AAA A 48 1.357 2.932 -3.593 1.00 0.05
ATOM 54 C AAA A 49 2.102 2.741 -2.244 1.00 0.05
ATOM 55 C AAA A 50 2.516 4.067 -1.595 1.00 0.05
ATOM 56 H1 AAA A 51 0.048 0.818 -3.949 1.00 0.00
ATOM 57 H2 AAA A 52 1.622 0.293 -0.533 1.00 0.00
ATOM 58 H3 AAA A 53 0.523 -2.774 2.129 1.00 0.00
ATOM 59 H4 AAA A 54 -1.039 0.273 0.054 1.00 0.00
ATOM 60 H AAA A 55 2.129 -0.477 -5.649 1.00 0.00
ATOM 61 H AAA A 56 -0.858 -1.062 -5.293 1.00 0.00
ATOM 62 HA AAA A 57 -0.573 -2.735 -7.146 1.00 0.00
ATOM 63 HB AAA A 57 0.271 -3.209 -5.690 1.00 0.00
ATOM 64 HC AAA A 57 1.173 -2.525 -7.046 1.00 0.00
ATOM 65 HA AAA A 58 0.637 0.049 -7.703 1.00 0.00
ATOM 66 HB AAA A 58 -0.501 0.930 -6.689 1.00 0.00
ATOM 67 HC AAA A 58 -1.068 -0.400 -7.681 1.00 0.00
ATOM 68 H AAA A 59 2.897 -3.856 -1.612 1.00 0.00
ATOM 69 H AAA A 60 2.984 -0.356 1.930 1.00 0.00
ATOM 70 HA AAA A 61 1.405 2.135 1.066 1.00 0.00
ATOM 71 HB AAA A 61 3.117 1.897 0.855 1.00 0.00
ATOM 72 HB AAA A 62 0.611 3.199 2.996 1.00 0.00
ATOM 73 HC AAA A 62 4.512 1.454 3.035 1.00 0.00
ATOM 74 HD AAA A 62 1.030 4.192 5.208 1.00 0.00
ATOM 75 HE AAA A 62 4.934 2.444 5.252 1.00 0.00
ATOM 76 HF AAA A 62 3.193 3.816 6.346 1.00 0.00
ATOM 77 H AAA A 63 -0.325 -1.329 5.047 1.00 0.00
ATOM 78 H AAA A 64 -2.114 -0.301 3.032 1.00 0.00
ATOM 79 HA AAA A 65 -1.613 1.968 4.005 1.00 0.00
ATOM 80 HB AAA A 65 -0.226 1.293 4.856 1.00 0.00
ATOM 81 HC AAA A 65 -1.854 0.769 5.271 1.00 0.00
ATOM 82 H AAA A 66 -1.874 -4.555 2.059 1.00 0.00
ATOM 83 H AAA A 67 1.007 -4.972 1.112 1.00 0.00
ATOM 84 HA AAA A 68 0.315 -7.343 0.614 1.00 0.00
ATOM 85 HB AAA A 68 -0.426 -6.185 -0.465 1.00 0.00
ATOM 86 HC AAA A 68 -1.366 -6.880 0.859 1.00 0.00
ATOM 87 HA AAA A 69 -0.519 -6.308 3.381 1.00 0.00
ATOM 88 HB AAA A 69 0.817 -5.174 3.552 1.00 0.00
ATOM 89 HC AAA A 69 1.099 -6.752 2.842 1.00 0.00
ATOM 90 H AAA A 70 -2.773 -2.691 -2.859 1.00 0.00
ATOM 91 H AAA A 71 -2.206 2.062 -1.948 1.00 0.00
ATOM 92 H AAA A 72 -0.699 2.776 0.614 1.00 0.00
ATOM 93 HA AAA A 73 -2.563 1.347 1.204 1.00 0.00
ATOM 94 HB AAA A 73 -3.659 2.230 0.175 1.00 0.00
ATOM 95 HA AAA A 74 -3.840 2.763 2.666 1.00 0.00
ATOM 96 HB AAA A 74 -3.590 4.182 1.660 1.00 0.00
ATOM 97 HC AAA A 74 -2.243 3.508 2.572 1.00 0.00
ATOM 98 HA AAA A 75 -2.665 4.459 -1.013 1.00 0.00
ATOM 99 HB AAA A 75 -0.919 4.684 -1.004 1.00 0.00
ATOM 100 HC AAA A 75 -1.833 4.966 0.457 1.00 0.00
ATOM 101 H AAA A 76 1.556 3.896 -4.062 1.00 0.00
ATOM 102 H AAA A 77 2.970 2.084 -2.328 1.00 0.00
ATOM 103 HA AAA A 78 1.660 4.730 -1.473 1.00 0.00
ATOM 104 HB AAA A 78 3.258 4.584 -2.204 1.00 0.00
ATOM 105 HC AAA A 78 2.950 3.897 -0.610 1.00 0.00
END