1 129 Deltorphin (Tyr-Met-Phe-His-Leu-Met-Asp-NH2) 2 1 N3 7.683729 2.397249 4.343044 418 2 5 6 7 3 2 CT 6.980902 1.747349 3.190797 419 1 3 8 9 4 3 C 6.061248 2.717088 2.442481 420 2 4 24 5 4 O 5.376953 3.503201 3.086001 422 3 6 5 H 8.282473 1.736310 4.813401 421 1 7 6 H 7.005677 2.794256 4.976434 421 1 8 7 H 8.252445 3.146983 3.953576 421 1 9 8 H1 7.758032 1.436533 2.496900 423 2 10 9 CT 6.196824 0.486855 3.596229 128 2 10 17 18 11 10 CA 5.475173 -0.218990 2.464358 130 9 11 12 12 11 CA 4.066593 -0.223501 2.412259 131 10 13 19 13 12 CA 6.211599 -0.876304 1.460441 131 10 14 20 14 13 CA 3.401196 -0.882293 1.359498 133 11 15 21 15 14 CA 5.537615 -1.531368 0.412476 133 12 15 22 16 15 CA 4.137820 -1.528228 0.355042 135 13 14 16 17 16 OH 3.505602 -2.200295 -0.644544 136 15 23 18 17 HC 5.467723 0.760888 4.360846 129 9 19 18 HC 6.889161 -0.225104 4.048300 129 9 20 19 HA 3.485149 0.272985 3.177650 132 11 21 20 HA 7.293292 -0.889888 1.486990 132 12 22 21 HA 2.321620 -0.886068 1.323045 134 13 23 22 HA 6.089864 -2.049791 -0.357335 134 14 24 23 HO 2.551308 -2.161135 -0.565408 137 16 25 24 N 6.005046 2.603064 1.109339 258 3 25 28 26 25 CT 5.160354 3.276874 0.097028 259 24 26 29 30 27 26 C 5.029175 4.815819 0.077554 260 25 27 41 28 27 O 4.881233 5.376751 -1.005788 262 26 29 28 H 6.662831 1.934105 0.716343 261 24 30 29 H1 5.644759 3.048687 -0.853820 263 25 31 30 CT 3.781930 2.599513 -0.000809 264 25 31 34 35 32 31 CT 2.827760 2.919170 1.156635 266 30 32 36 37 33 32 S 1.209284 2.123029 1.000919 268 31 33 34 33 CT 0.372871 2.889518 2.412539 269 32 38 39 40 35 34 HC 3.919748 1.520204 -0.063210 265 30 36 35 HC 3.306321 2.922482 -0.928098 265 30 37 36 H1 2.674404 3.997577 1.205946 267 31 38 37 H1 3.272329 2.591141 2.093851 267 31 39 38 H1 -0.640272 2.494920 2.492701 270 33 40 39 H1 0.920318 2.671597 3.329514 270 33 41 40 H1 0.326510 3.968652 2.265031 270 33 42 41 N 5.116024 5.535151 1.199112 107 26 42 45 43 42 CT 4.776867 6.969782 1.304346 108 41 43 46 47 44 43 C 5.725590 7.963213 0.586356 109 42 44 61 45 44 O 5.609118 9.170538 0.774102 111 43 46 45 H 5.223251 5.021516 2.066498 110 41 47 46 H1 3.816823 7.105405 0.804076 112 42 48 47 CT 4.558056 7.327645 2.785008 113 42 48 54 55 49 48 CA 3.314285 6.700693 3.392601 115 47 49 50 50 49 CA 2.039789 7.153734 2.999161 116 48 51 56 51 50 CA 3.419571 5.685221 4.361827 116 48 52 57 52 51 CA 0.881521 6.594044 3.567737 118 49 53 58 53 52 CA 2.261545 5.123578 4.929809 118 50 53 59 54 53 CA 0.992167 5.580847 4.535648 120 51 52 60 55 54 HC 4.447450 8.408266 2.883463 114 47 56 55 HC 5.440092 7.039747 3.358997 114 47 57 56 HA 1.947572 7.944390 2.267751 117 49 58 57 HA 4.391478 5.340166 4.680038 117 50 59 58 HA -0.094440 6.952235 3.269633 119 51 60 59 HA 2.346004 4.350033 5.679707 119 52 61 60 HA 0.101242 5.159553 4.981094 121 53 62 61 N 6.624093 7.493901 -0.289338 161 43 62 65 63 62 CT 7.275880 8.330261 -1.319027 162 61 63 66 67 64 63 C 7.409768 7.608773 -2.675607 163 62 64 79 65 64 O 8.410371 7.776797 -3.373671 165 63 66 65 H 6.646432 6.490482 -0.406434 164 61 67 66 H1 6.604564 9.168077 -1.521232 166 62 68 67 CT 8.584163 8.950015 -0.782920 167 62 68 73 74 69 68 CC 9.733885 7.991850 -0.587898 169 67 69 70 70 69 NA 10.618492 7.576197 -1.566190 170 68 71 75 71 70 CW 10.057150 7.342671 0.568535 172 68 72 76 72 71 CR 11.445689 6.663371 -1.016370 174 69 72 77 73 72 NA 11.128220 6.512586 0.286411 176 70 71 78 74 73 HC 8.905648 9.726986 -1.479327 168 67 75 74 HC 8.375245 9.449660 0.165487 168 67 76 75 H 10.520309 7.791619 -2.555967 171 69 77 76 H4 9.528253 7.409983 1.512630 173 70 78 77 H5 12.164291 6.050263 -1.555342 175 71 79 78 H 11.411303 5.709629 0.873973 177 72 80 79 N 6.406564 6.787394 -3.014367 27 63 80 83 81 80 CT 6.281906 5.895522 -4.180891 28 79 81 84 85 82 81 C 7.396473 4.842250 -4.306563 29 80 82 98 83 82 O 7.135350 3.656466 -4.121850 31 81 84 83 H 5.654623 6.701909 -2.340031 30 79 85 84 H1 5.365536 5.324199 -4.023473 32 80 86 85 CT 6.067228 6.737097 -5.457587 33 80 86 89 90 87 86 CT 5.886291 5.921328 -6.753531 35 85 87 88 91 88 87 CT 4.692556 4.967501 -6.687523 37 86 92 93 94 89 88 CT 5.667971 6.874776 -7.927641 39 86 95 96 97 90 89 HC 6.921371 7.401207 -5.592879 34 85 91 90 HC 5.183728 7.361147 -5.313985 34 85 92 91 HC 6.788824 5.341858 -6.947015 36 86 93 92 HC 3.783719 5.516729 -6.440734 38 87 94 93 HC 4.561183 4.476935 -7.652297 38 87 95 94 HC 4.866890 4.194648 -5.939426 38 87 96 95 HC 6.503831 7.570052 -7.999638 40 88 97 96 HC 5.603957 6.307382 -8.856291 40 88 98 97 HC 4.745180 7.438870 -7.788999 40 88 99 98 N 8.637264 5.257717 -4.560289 258 81 99 102 100 99 CT 9.831210 4.405270 -4.636076 259 98 100 103 104 101 100 C 10.290859 3.949452 -3.236499 260 99 101 115 102 101 O 11.412145 4.226886 -2.818282 262 100 103 102 H 8.766392 6.255652 -4.685438 261 98 104 103 H1 9.570533 3.503338 -5.191881 263 99 105 104 CT 10.955083 5.124635 -5.409761 264 99 105 108 109 106 105 CT 10.579680 5.495823 -6.851118 266 104 106 110 111 107 106 S 9.594481 7.009727 -7.036729 268 105 107 108 107 CT 9.353433 6.989018 -8.833060 269 106 112 113 114 109 108 HC 11.814410 4.453986 -5.457191 265 104 110 109 HC 11.258369 6.026726 -4.876096 265 104 111 110 H1 11.504602 5.638264 -7.411210 267 105 112 111 H1 10.042611 4.661416 -7.303853 267 105 113 112 H1 10.321541 7.006612 -9.334439 270 107 114 113 H1 8.779516 7.866107 -9.133377 270 107 115 114 H1 8.810668 6.088398 -9.121571 270 107 116 115 N 9.405505 3.293589 -2.483419 210 100 116 119 117 116 CT 9.602148 2.912803 -1.076277 211 115 117 120 121 118 117 C 9.068083 1.496627 -0.779057 212 116 118 127 119 118 O 8.393579 1.247004 0.217396 214 117 120 119 H 8.495205 3.119200 -2.900597 213 115 121 120 H1 10.675787 2.879880 -0.878973 215 116 122 121 CT 8.996444 3.996411 -0.169127 216 116 122 125 126 123 122 C 9.544693 3.950043 1.267406 218 121 123 124 124 123 O2 8.714305 3.892782 2.205654 219 122 125 124 O2 10.786342 4.037850 1.442098 219 122 126 125 HC 9.211338 4.972328 -0.596467 217 121 127 126 HC 7.913243 3.903776 -0.168665 217 121 128 127 N 9.331432 0.537856 -1.659548 344 117 128 129 129 128 H 9.875984 0.748261 -2.480425 345 127 130 129 H 8.979811 -0.389753 -1.487430 345 127 131