NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
547968 | 2lpy | 18282 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
assign ( resid 69 and name HG1 ) ( resid 69 and name HB ) 2.9 0.6 0.6 volume=1.748 peak=346 ppm1=0.312 ppm2=3.610 assign ( resid 11 and name HB1 ) ( resid 12 and name HG2# ) 4.3 0.9 0.9 volume=0.516 peak=157 ppm1=3.125 ppm2=1.153 assign ( resid 86 and name HD1# ) ( resid 85 and name HG ) 4.2 0.8 0.8 volume=0.586 peak=400 ppm1=0.809 ppm2=1.710 assign ( resid 53 and name HA ) ( resid 56 and name HB2 ) 3.4 0.7 0.7 volume=0.684 peak=117 ppm1=4.143 ppm2=3.310 assign ( resid 74 and name HA ) ( resid 74 and name HG1 ) 3.2 0.6 0.6 volume=1.044 peak=418 ppm1=4.388 ppm2=1.292 assign ( resid 51 and name HG11 ) ( resid 53 and name HD1# ) 4.3 0.9 0.9 volume=0.531 peak=334 ppm1=1.252 ppm2=0.900 assign ( resid 53 and name HD1# ) ( resid 53 and name HN ) 4.8 2.0 1.0 volume=0.275 peak=544 ppm1=0.978 ppm2=8.805 assign ( resid 19 and name HA ) ( resid 21 and name HN ) 3.9 0.8 0.8 volume=0.314 peak=212 ppm1=3.791 ppm2=7.914 assign ( resid 19 and name HA ) ( resid 19 and name HN ) 3.5 0.7 0.7 volume=0.539 peak=479 ppm1=3.784 ppm2=8.174 assign ( resid 109 and name HA ) ( resid 110 and name HN ) 3.5 0.7 0.7 volume=0.561 peak=21 ppm1=4.041 ppm2=8.193 assign ( resid 84 and name HB2 ) ( resid 85 and name HB2 ) 4.3 0.9 0.9 volume=0.181 peak=413 ppm1=2.902 ppm2=1.788 assign ( resid 89 and name HA ) ( resid 89 and name HG ) 2.8 0.6 0.6 volume=2.236 peak=325 ppm1=3.917 ppm2=0.660 assign ( resid 90 and name HD1# ) ( resid 90 and name HA ) 3.6 1.7 0.7 volume=1.422 peak=470 ppm1=0.017 ppm2=3.303 assign ( resid 19 and name HD2# ) ( resid 85 and name HB2 ) 3.2 0.6 1.6 volume=2.963 peak=498 ppm1=0.637 ppm2=1.829 assign ( resid 116 and name HB ) ( resid 116 and name HN ) 3.6 0.7 0.7 volume=0.477 peak=112 ppm1=4.166 ppm2=8.059 assign ( resid 43 and name HD1 ) ( resid 43 and name HA ) 3.9 0.8 0.8 volume=0.298 peak=219 ppm1=3.904 ppm2=4.322 assign ( resid 101 and name HB# ) ( resid 102 and name HN ) 3.7 0.7 0.7 volume=1.231 peak=351 ppm1=1.409 ppm2=7.570 assign ( resid 69 and name HB ) ( resid 69 and name HA ) 3.2 0.6 0.6 volume=1.013 peak=91 ppm1=3.604 ppm2=3.843 assign ( resid 31 and name HG ) ( resid 12 and name HA ) 3.9 0.8 1.8 volume=0.316 peak=488 ppm1=0.599 ppm2=3.198 assign ( resid 97 and name HA ) ( resid 97 and name HB1 ) 2.7 0.5 0.5 volume=2.502 peak=106 ppm1=4.321 ppm2=2.417 assign ( resid 31 and name HA ) ( resid 33 and name HN ) 4.6 0.9 0.9 volume=0.119 peak=260 ppm1=3.477 ppm2=7.277 assign ( resid 97 and name HA ) ( resid 98 and name HA ) 3.8 0.8 0.8 volume=0.369 peak=525 ppm1=4.317 ppm2=3.923 assign ( resid 38 and name HA ) ( resid 42 and name HN ) 4.0 0.8 0.8 volume=0.265 peak=169 ppm1=3.086 ppm2=7.208 assign ( resid 14 and name HB1 ) ( resid 14 and name HG2 ) 3.4 0.7 0.7 volume=0.707 peak=253 ppm1=2.202 ppm2=2.543 assign ( resid 35 and name HA ) ( resid 12 and name HG2# ) 4.6 0.9 0.9 volume=0.362 peak=10 ppm1=3.805 ppm2=1.116 assign ( resid 46 and name HD2 ) ( resid 43 and name HA ) 3.2 0.6 1.9 volume=1.046 peak=361 ppm1=3.366 ppm2=4.248 assign ( resid 69 and name HG1 ) ( resid 69 and name HN ) 3.8 0.8 0.8 volume=0.382 peak=422 ppm1=0.310 ppm2=7.949 assign ( resid 80 and name HB1 ) ( resid 80 and name HN ) 3.2 0.6 0.6 volume=0.913 peak=491 ppm1=2.982 ppm2=7.280 assign ( resid 90 and name HD1# ) ( resid 52 and name HA ) 4.7 0.9 0.9 volume=0.296 peak=124 ppm1=0.019 ppm2=4.697 assign ( resid 86 and name HG11 ) ( resid 86 and name HG2# ) 4.7 2.9 0.9 volume=0.313 peak=514 ppm1=1.423 ppm2=-0.489 assign ( resid 12 and name HG2# ) ( resid 12 and name HG1# ) 4.1 2.8 0.8 volume=2.010 peak=87 ppm1=1.130 ppm2=0.652 assign ( resid 77 and name HA ) ( resid 80 and name HN ) 3.3 0.7 0.7 volume=0.792 peak=336 ppm1=3.915 ppm2=7.276 assign ( resid 9 and name HB2 ) ( resid 9 and name HN ) 3.1 0.6 0.6 volume=1.231 peak=372 ppm1=1.978 ppm2=7.695 assign ( resid 75 and name HA ) ( resid 77 and name HG2# ) 4.4 0.9 0.9 volume=0.469 peak=170 ppm1=4.435 ppm2=1.139 assign ( resid 35 and name HA ) ( resid 12 and name HG1# ) 4.6 0.9 0.9 volume=0.335 peak=102 ppm1=3.795 ppm2=0.587 assign ( resid 85 and name HG ) ( resid 85 and name HN ) 3.4 0.7 0.7 volume=0.706 peak=313 ppm1=1.741 ppm2=7.752 assign ( resid 89 and name HA ) ( resid 88 and name HN ) 3.3 0.7 1.7 volume=0.837 peak=467 ppm1=3.912 ppm2=7.710 assign ( resid 9 and name HA ) ( resid 12 and name HG2# ) 4.3 0.9 0.9 volume=0.505 peak=195 ppm1=3.966 ppm2=1.130 assign ( resid 26 and name HB ) ( resid 26 and name HG2# ) 3.6 1.7 0.7 volume=1.549 peak=393 ppm1=1.819 ppm2=0.724 assign ( resid 95 and name HB ) ( resid 90 and name HA ) 3.9 0.8 0.8 volume=0.323 peak=508 ppm1=2.068 ppm2=3.254 assign ( resid 76 and name HD2 ) ( resid 75 and name HG2# ) 5.0 3.0 1.0 volume=0.204 peak=547 ppm1=2.723 ppm2=0.514 assign ( resid 102 and name HB# ) ( resid 99 and name HA ) 3.9 0.8 0.8 volume=0.983 peak=333 ppm1=1.308 ppm2=3.445 assign ( resid 89 and name HB2 ) ( resid 85 and name HG ) 2.9 0.6 0.6 volume=1.957 peak=483 ppm1=1.204 ppm2=1.748 assign ( resid 101 and name HA ) ( resid 104 and name HB# ) 3.3 0.7 0.7 volume=2.679 peak=92 ppm1=4.221 ppm2=1.430 assign ( resid 72 and name HG1 ) ( resid 72 and name HB1 ) 2.6 0.5 0.5 volume=3.472 peak=428 ppm1=2.033 ppm2=2.414 assign ( resid 38 and name HA ) ( resid 38 and name HN ) 3.7 0.7 0.7 volume=0.423 peak=233 ppm1=3.085 ppm2=8.431 assign ( resid 50 and name HA ) ( resid 48 and name HG2 ) 3.9 0.8 1.6 volume=0.289 peak=487 ppm1=4.256 ppm2=2.570 assign ( resid 31 and name HA ) ( resid 31 and name HD1# ) 3.9 0.8 0.8 volume=0.876 peak=553 ppm1=3.485 ppm2=0.574 assign ( resid 90 and name HD1# ) ( resid 52 and name HN ) 4.8 1.0 1.0 volume=0.264 peak=432 ppm1=0.023 ppm2=7.170 assign ( resid 116 and name HA ) ( resid 116 and name HN ) 3.6 0.7 0.7 volume=0.535 peak=294 ppm1=4.233 ppm2=8.074 assign ( resid 51 and name HD1# ) ( resid 86 and name HD1# ) 3.8 0.8 0.8 volume=3.438 peak=115 ppm1=0.619 ppm2=0.868 assign ( resid 21 and name HA ) ( resid 23 and name HN ) 3.5 0.7 0.7 volume=0.636 peak=248 ppm1=4.118 ppm2=7.835 assign ( resid 53 and name HA ) ( resid 53 and name HG11 ) 3.4 0.7 0.7 volume=0.665 peak=519 ppm1=4.147 ppm2=1.575 assign ( resid 51 and name HB ) ( resid 51 and name HA ) 4.1 0.8 0.8 volume=0.238 peak=185 ppm1=1.998 ppm2=4.091 assign ( resid 86 and name HA ) ( resid 89 and name HD1# ) 4.4 0.9 0.9 volume=0.428 peak=94 ppm1=3.464 ppm2=0.610 assign ( resid 90 and name HG2# ) ( resid 51 and name HG11 ) 3.6 0.7 1.7 volume=1.554 peak=536 ppm1=0.612 ppm2=1.289 assign ( resid 9 and name HA ) ( resid 10 and name HN ) 3.4 0.7 0.7 volume=0.727 peak=431 ppm1=3.968 ppm2=8.921 assign ( resid 35 and name HB1 ) ( resid 36 and name HN ) 4.1 1.8 0.8 volume=0.237 peak=251 ppm1=2.880 ppm2=8.312 assign ( resid 97 and name HA ) ( resid 99 and name HN ) 3.9 0.8 0.8 volume=0.314 peak=434 ppm1=4.321 ppm2=7.920 assign ( resid 26 and name HB ) ( resid 27 and name HN ) 4.1 0.8 0.8 volume=0.236 peak=341 ppm1=1.835 ppm2=8.637 assign ( resid 77 and name HA ) ( resid 79 and name HN ) 4.1 0.8 0.8 volume=0.211 peak=373 ppm1=3.916 ppm2=7.827 assign ( resid 117 and name HB2 ) ( resid 110 and name HB2 ) 3.9 0.8 0.8 volume=0.307 peak=177 ppm1=2.703 ppm2=1.598 assign ( resid 51 and name HB ) ( resid 86 and name HD1# ) 4.1 0.8 0.8 volume=0.644 peak=237 ppm1=1.978 ppm2=0.880 assign ( resid 53 and name HD1# ) ( resid 83 and name HA ) 4.3 0.9 0.9 volume=0.510 peak=139 ppm1=0.982 ppm2=4.426 assign ( resid 16 and name HA ) ( resid 19 and name HG ) 3.4 0.7 1.7 volume=0.743 peak=484 ppm1=3.735 ppm2=0.730 assign ( resid 53 and name HD1# ) ( resid 53 and name HG11 ) 3.0 0.6 0.6 volume=4.280 peak=259 ppm1=0.982 ppm2=1.564 assign ( resid 90 and name HG2# ) ( resid 90 and name HA ) 3.6 1.7 0.7 volume=1.421 peak=255 ppm1=0.619 ppm2=4.131 assign ( resid 72 and name HD2 ) ( resid 72 and name HG1 ) 2.8 0.6 0.6 volume=2.445 peak=127 ppm1=3.287 ppm2=2.070 assign ( resid 53 and name HA ) ( resid 51 and name HG2# ) 4.4 0.9 0.9 volume=0.466 peak=438 ppm1=4.148 ppm2=0.595 assign ( resid 90 and name HB ) ( resid 53 and name HD1# ) 5.0 3.0 1.0 volume=0.202 peak=59 ppm1=1.631 ppm2=0.951 assign ( resid 26 and name HB ) ( resid 26 and name HN ) 3.6 0.7 0.7 volume=0.474 peak=478 ppm1=1.815 ppm2=7.557 assign ( resid 21 and name HG2# ) ( resid 19 and name HG ) 5.2 1.0 1.0 volume=0.165 peak=516 ppm1=1.347 ppm2=0.757 assign ( resid 90 and name HG2# ) ( resid 53 and name HN ) 4.4 0.9 0.9 volume=0.463 peak=357 ppm1=0.606 ppm2=8.787 assign ( resid 69 and name HB ) ( resid 69 and name HG1 ) 3.1 0.6 0.6 volume=1.294 peak=384 ppm1=3.601 ppm2=0.312 assign ( resid 90 and name HD1# ) ( resid 90 and name HB ) 4.6 2.9 0.9 volume=0.344 peak=402 ppm1=0.017 ppm2=1.976 assign ( resid 97 and name HG2 ) ( resid 97 and name HA ) 3.5 0.7 1.7 volume=0.595 peak=262 ppm1=2.070 ppm2=4.316 assign ( resid 33 and name HA ) ( resid 33 and name HB2 ) 2.9 0.6 0.6 volume=1.872 peak=103 ppm1=4.214 ppm2=1.903 assign ( resid 99 and name HA ) ( resid 99 and name HG1# ) 3.6 1.7 0.7 volume=1.571 peak=550 ppm1=3.437 ppm2=0.848 assign ( resid 53 and name HD1# ) ( resid 52 and name HB1 ) 4.4 0.9 0.9 volume=0.428 peak=159 ppm1=0.987 ppm2=2.728 assign ( resid 12 and name HG2# ) ( resid 11 and name HA ) 3.7 0.7 1.7 volume=1.357 peak=497 ppm1=1.131 ppm2=4.121 assign ( resid 69 and name HA ) ( resid 69 and name HN ) 3.6 0.7 0.7 volume=0.511 peak=474 ppm1=3.866 ppm2=7.958 assign ( resid 69 and name HB ) ( resid 70 and name HN ) 3.6 0.7 0.7 volume=0.514 peak=309 ppm1=3.601 ppm2=8.587 assign ( resid 86 and name HG2# ) ( resid 86 and name HD1# ) 4.0 2.8 0.8 volume=2.508 peak=353 ppm1=-0.496 ppm2=0.825 assign ( resid 50 and name HB ) ( resid 50 and name HN ) 3.8 0.8 0.8 volume=0.381 peak=534 ppm1=3.503 ppm2=7.601 assign ( resid 97 and name HA ) ( resid 98 and name HN ) 3.7 0.7 0.7 volume=0.428 peak=132 ppm1=4.320 ppm2=8.312 assign ( resid 102 and name HA ) ( resid 102 and name HN ) 3.4 0.7 0.7 volume=0.744 peak=165 ppm1=4.004 ppm2=7.599 assign ( resid 90 and name HG12 ) ( resid 89 and name HN ) 4.7 0.9 0.9 volume=0.103 peak=107 ppm1=1.609 ppm2=7.459 assign ( resid 29 and name HA ) ( resid 32 and name HG ) 3.4 0.7 0.7 volume=0.685 peak=421 ppm1=3.705 ppm2=0.816 assign ( resid 31 and name HA ) ( resid 31 and name HN ) 3.9 0.8 0.8 volume=0.311 peak=228 ppm1=3.487 ppm2=7.532 assign ( resid 59 and name HG1# ) ( resid 59 and name HA ) 3.8 0.8 0.8 volume=1.043 peak=93 ppm1=-0.418 ppm2=3.668 assign ( resid 86 and name HA ) ( resid 86 and name HG2# ) 4.4 2.9 0.9 volume=0.471 peak=446 ppm1=3.462 ppm2=-0.495 assign ( resid 97 and name HD1 ) ( resid 97 and name HA ) 3.8 0.8 0.8 volume=0.341 peak=136 ppm1=3.686 ppm2=4.295 assign ( resid 14 and name HB1 ) ( resid 14 and name HA ) 3.8 0.8 0.8 volume=0.339 peak=242 ppm1=2.205 ppm2=3.653 assign ( resid 26 and name HB ) ( resid 16 and name HG1 ) 4.2 0.8 0.8 volume=0.187 peak=420 ppm1=1.820 ppm2=1.402 assign ( resid 77 and name HG2# ) ( resid 77 and name HN ) 3.4 0.7 0.7 volume=2.252 peak=34 ppm1=1.055 ppm2=8.603 assign ( resid 18 and name HA ) ( resid 19 and name HN ) 3.6 0.7 0.7 volume=0.523 peak=11 ppm1=3.800 ppm2=8.109 assign ( resid 90 and name HG12 ) ( resid 51 and name HG11 ) 3.8 0.8 0.8 volume=0.366 peak=202 ppm1=1.619 ppm2=1.340 assign ( resid 33 and name HA ) ( resid 37 and name HB2 ) 3.2 0.6 1.6 volume=0.944 peak=329 ppm1=4.216 ppm2=2.754 assign ( resid 77 and name HG2# ) ( resid 77 and name HA ) 3.3 0.7 0.7 volume=2.520 peak=403 ppm1=1.053 ppm2=3.915 assign ( resid 39 and name HA ) ( resid 40 and name HN ) 4.2 0.8 0.8 volume=0.184 peak=427 ppm1=3.469 ppm2=8.061 assign ( resid 51 and name HB ) ( resid 51 and name HD1# ) 3.9 1.8 0.8 volume=0.891 peak=48 ppm1=1.984 ppm2=0.627 assign ( resid 15 and name HG ) ( resid 15 and name HA ) 3.8 2.8 0.8 volume=0.376 peak=201 ppm1=0.718 ppm2=3.875 assign ( resid 86 and name HG2# ) ( resid 87 and name HA ) 4.8 3.0 1.0 volume=0.253 peak=146 ppm1=-0.500 ppm2=3.215 assign ( resid 85 and name HG ) ( resid 85 and name HA ) 3.3 0.7 0.7 volume=0.792 peak=147 ppm1=1.741 ppm2=4.076 assign ( resid 29 and name HA ) ( resid 29 and name HB# ) 3.4 1.7 0.7 volume=1.953 peak=210 ppm1=3.709 ppm2=1.243 assign ( resid 95 and name HB ) ( resid 90 and name HG2# ) 4.3 0.9 0.9 volume=0.486 peak=282 ppm1=2.061 ppm2=0.642 assign ( resid 12 and name HG1# ) ( resid 12 and name HB ) 3.4 1.7 0.7 volume=2.042 peak=114 ppm1=0.641 ppm2=2.072 assign ( resid 59 and name HB ) ( resid 59 and name HG1# ) 4.3 2.9 0.9 volume=0.503 peak=518 ppm1=1.481 ppm2=-0.427 assign ( resid 38 and name HG1# ) ( resid 38 and name HG2# ) 3.6 1.7 0.7 volume=4.297 peak=36 ppm1=0.508 ppm2=0.724 assign ( resid 39 and name HG2 ) ( resid 39 and name HE1 ) 2.9 0.6 0.6 volume=1.685 peak=510 ppm1=1.383 ppm2=2.953 assign ( resid 110 and name HA ) ( resid 111 and name HN ) 3.4 0.7 0.7 volume=0.647 peak=476 ppm1=4.285 ppm2=8.211 assign ( resid 109 and name HB ) ( resid 109 and name HG2# ) 4.9 3.0 1.0 volume=0.246 peak=320 ppm1=1.806 ppm2=0.847 assign ( resid 110 and name HG ) ( resid 109 and name HG11 ) 3.0 0.6 0.6 volume=1.344 peak=204 ppm1=1.453 ppm2=1.086 assign ( resid 59 and name HG1# ) ( resid 38 and name HA ) 4.6 0.9 0.9 volume=0.350 peak=25 ppm1=-0.418 ppm2=3.117 assign ( resid 51 and name HD1# ) ( resid 52 and name HN ) 3.9 0.8 0.8 volume=0.960 peak=490 ppm1=0.626 ppm2=7.164 assign ( resid 38 and name HG2# ) ( resid 38 and name HG1# ) 4.3 2.9 0.9 volume=1.447 peak=405 ppm1=0.692 ppm2=0.489 assign ( resid 87 and name HA ) ( resid 87 and name HN ) 3.7 0.7 0.7 volume=0.441 peak=410 ppm1=3.225 ppm2=7.861 assign ( resid 102 and name HB# ) ( resid 99 and name HB ) 3.6 0.7 1.7 volume=1.405 peak=447 ppm1=1.305 ppm2=2.170 assign ( resid 85 and name HB2 ) ( resid 89 and name HB2 ) 3.0 0.6 2.6 volume=1.374 peak=232 ppm1=1.760 ppm2=1.217 assign ( resid 72 and name HG1 ) ( resid 68 and name HA ) 3.3 0.7 0.7 volume=0.791 peak=176 ppm1=2.027 ppm2=4.324 assign ( resid 53 and name HG2# ) ( resid 87 and name HA ) 4.2 0.8 0.8 volume=0.625 peak=412 ppm1=1.055 ppm2=3.318 assign ( resid 77 and name HB ) ( resid 77 and name HN ) 3.2 0.6 0.6 volume=1.078 peak=120 ppm1=2.217 ppm2=8.588 assign ( resid 86 and name HA ) ( resid 86 and name HB ) 3.9 0.8 0.8 volume=0.304 peak=376 ppm1=3.463 ppm2=1.973 assign ( resid 74 and name HB1 ) ( resid 74 and name HN ) 3.5 0.7 0.7 volume=0.599 peak=49 ppm1=1.606 ppm2=7.495 assign ( resid 21 and name HG2# ) ( resid 21 and name HB ) 3.2 0.6 0.6 volume=2.803 peak=46 ppm1=1.357 ppm2=4.192 assign ( resid 15 and name HD1# ) ( resid 14 and name HB1 ) 5.1 1.0 1.0 volume=0.191 peak=217 ppm1=0.342 ppm2=2.103 assign ( resid 14 and name HB1 ) ( resid 11 and name HA ) 3.1 0.6 1.6 volume=1.184 peak=172 ppm1=2.189 ppm2=4.181 assign ( resid 59 and name HB ) ( resid 59 and name HG2# ) 4.2 2.8 0.8 volume=0.591 peak=126 ppm1=1.483 ppm2=0.441 assign ( resid 15 and name HG ) ( resid 11 and name HA ) 4.2 0.8 1.8 volume=0.185 peak=131 ppm1=0.711 ppm2=4.194 assign ( resid 95 and name HB ) ( resid 98 and name HG2 ) 2.6 0.5 1.5 volume=3.663 peak=529 ppm1=2.068 ppm2=2.455 assign ( resid 16 and name HB2 ) ( resid 16 and name HG1 ) 2.6 0.5 0.5 volume=3.612 peak=27 ppm1=1.767 ppm2=1.366 assign ( resid 12 and name HA ) ( resid 12 and name HN ) 3.7 0.7 0.7 volume=0.420 peak=292 ppm1=3.107 ppm2=8.079 assign ( resid 118 and name HB2 ) ( resid 118 and name HG ) 3.1 0.6 0.6 volume=1.144 peak=193 ppm1=1.576 ppm2=0.805 assign ( resid 90 and name HG12 ) ( resid 90 and name HA ) 3.9 2.8 0.8 volume=0.319 peak=154 ppm1=1.620 ppm2=3.291 assign ( resid 59 and name HA ) ( resid 58 and name HA ) 4.6 0.9 0.9 volume=0.108 peak=256 ppm1=3.673 ppm2=4.189 assign ( resid 78 and name HB ) ( resid 78 and name HN ) 4.3 0.9 0.9 volume=0.168 peak=288 ppm1=3.869 ppm2=7.377 assign ( resid 110 and name HG ) ( resid 108 and name HB1 ) 2.8 0.6 0.6 volume=2.296 peak=31 ppm1=1.464 ppm2=1.868 assign ( resid 69 and name HB ) ( resid 69 and name HN ) 3.4 0.7 0.7 volume=0.709 peak=246 ppm1=3.596 ppm2=7.951 assign ( resid 59 and name HA ) ( resid 59 and name HN ) 3.7 0.7 0.7 volume=0.421 peak=198 ppm1=3.674 ppm2=7.830 assign ( resid 102 and name HB# ) ( resid 102 and name HA ) 3.4 1.7 0.7 volume=2.239 peak=71 ppm1=1.304 ppm2=3.999 assign ( resid 29 and name HA ) ( resid 30 and name HN ) 3.8 0.8 0.8 volume=0.352 peak=44 ppm1=3.711 ppm2=6.934 assign ( resid 31 and name HG ) ( resid 30 and name HA ) 4.1 0.8 1.8 volume=0.232 peak=396 ppm1=0.603 ppm2=4.381 assign ( resid 51 and name HD1# ) ( resid 90 and name HB ) 3.4 0.7 1.7 volume=1.979 peak=64 ppm1=0.622 ppm2=1.956 assign ( resid 86 and name HA ) ( resid 86 and name HN ) 3.9 0.8 0.8 volume=0.283 peak=258 ppm1=3.463 ppm2=7.939 assign ( resid 47 and name HA ) ( resid 48 and name HN ) 3.2 0.6 0.6 volume=1.070 peak=319 ppm1=3.936 ppm2=7.682 assign ( resid 76 and name HD2 ) ( resid 78 and name HG2# ) 5.3 1.1 1.1 volume=0.142 peak=533 ppm1=2.722 ppm2=1.103 assign ( resid 97 and name HD1 ) ( resid 96 and name HN ) 4.3 0.9 0.9 volume=0.181 peak=517 ppm1=3.674 ppm2=7.516 assign ( resid 53 and name HG2# ) ( resid 53 and name HG11 ) 3.1 0.6 0.6 volume=3.671 peak=38 ppm1=1.054 ppm2=1.565 assign ( resid 77 and name HB ) ( resid 77 and name HG2# ) 3.4 1.7 0.7 volume=2.173 peak=241 ppm1=2.213 ppm2=1.060 assign ( resid 89 and name HD1# ) ( resid 89 and name HA ) 3.4 1.7 0.7 volume=2.225 peak=394 ppm1=0.619 ppm2=3.893 assign ( resid 9 and name HA ) ( resid 12 and name HN ) 3.8 0.8 0.8 volume=0.338 peak=385 ppm1=3.963 ppm2=8.164 assign ( resid 5 and name HG ) ( resid 5 and name HA ) 3.7 1.7 0.7 volume=0.441 peak=377 ppm1=1.011 ppm2=3.731 assign ( resid 53 and name HD1# ) ( resid 90 and name HA ) 3.8 0.8 1.8 volume=1.091 peak=223 ppm1=0.982 ppm2=3.279 assign ( resid 102 and name HA ) ( resid 103 and name HG2# ) 3.6 0.7 1.7 volume=1.605 peak=79 ppm1=4.001 ppm2=0.809 assign ( resid 111 and name HB1 ) ( resid 108 and name HN ) 3.1 0.6 0.6 volume=1.149 peak=383 ppm1=1.778 ppm2=8.361 assign ( resid 51 and name HD1# ) ( resid 51 and name HB ) 3.8 0.8 0.8 volume=1.013 peak=18 ppm1=0.620 ppm2=1.970 assign ( resid 51 and name HD1# ) ( resid 89 and name HB2 ) 3.5 0.7 0.7 volume=1.858 peak=537 ppm1=0.624 ppm2=1.200 assign ( resid 53 and name HG11 ) ( resid 53 and name HA ) 3.3 0.7 0.7 volume=0.816 peak=26 ppm1=1.563 ppm2=4.141 assign ( resid 53 and name HG11 ) ( resid 53 and name HN ) 3.6 0.7 0.7 volume=0.497 peak=285 ppm1=1.564 ppm2=8.781 assign ( resid 19 and name HD2# ) ( resid 19 and name HA ) 3.3 0.7 0.7 volume=2.556 peak=58 ppm1=0.634 ppm2=3.802 #assign ( resid 18 and name HA # ) # ( resid 19 and name HB2 # ) 3.8 0.8 1.8 volume=0.373 peak=279 ppm1=3.796 ppm2=1.789 assign ( resid 89 and name HB2 ) ( resid 86 and name HG11 ) 3.8 0.8 0.8 volume=0.341 peak=293 ppm1=1.201 ppm2=1.492 assign ( resid 89 and name HB2 ) ( resid 89 and name HG ) 3.1 0.6 0.6 volume=1.147 peak=503 ppm1=1.204 ppm2=0.636 assign ( resid 72 and name HD2 ) ( resid 75 and name HG2# ) 4.8 1.0 1.0 volume=0.261 peak=78 ppm1=3.274 ppm2=0.512 assign ( resid 76 and name HD2 ) ( resid 76 and name HB1 ) 4.3 0.9 0.9 volume=0.182 peak=35 ppm1=2.722 ppm2=2.235 assign ( resid 19 and name HA ) ( resid 18 and name HB# ) 3.9 0.8 0.8 volume=0.862 peak=14 ppm1=3.782 ppm2=1.431 assign ( resid 61 and name HB2 ) ( resid 61 and name HA ) 3.1 0.6 0.6 volume=1.186 peak=19 ppm1=2.685 ppm2=4.258 assign ( resid 31 and name HA ) ( resid 12 and name HG2# ) 4.6 0.9 0.9 volume=0.341 peak=12 ppm1=3.483 ppm2=1.086 assign ( resid 79 and name HA ) ( resid 79 and name HN ) 3.5 0.7 0.7 volume=0.623 peak=5 ppm1=4.002 ppm2=7.817 assign ( resid 21 and name HB ) ( resid 23 and name HN ) 3.6 0.7 1.7 volume=0.517 peak=167 ppm1=4.221 ppm2=7.822 assign ( resid 90 and name HG2# ) ( resid 90 and name HG12 ) 3.3 0.7 0.7 volume=2.710 peak=268 ppm1=0.604 ppm2=1.617 assign ( resid 89 and name HA ) ( resid 89 and name HN ) 3.4 0.7 0.7 volume=0.717 peak=247 ppm1=3.910 ppm2=7.451 assign ( resid 59 and name HG2# ) ( resid 38 and name HG2# ) 4.5 0.9 0.9 volume=1.132 peak=453 ppm1=0.439 ppm2=0.711 assign ( resid 31 and name HD1# ) ( resid 32 and name HG ) 3.0 0.6 1.6 volume=4.455 peak=380 ppm1=0.554 ppm2=0.792 assign ( resid 12 and name HG1# ) ( resid 12 and name HG2# ) 4.0 2.8 0.8 volume=2.469 peak=471 ppm1=0.640 ppm2=1.122 assign ( resid 53 and name HD1# ) ( resid 51 and name HG11 ) 3.8 0.8 1.8 volume=1.009 peak=535 ppm1=0.977 ppm2=1.266 assign ( resid 14 and name HG2 ) ( resid 11 and name HA ) 4.3 0.9 0.9 volume=0.167 peak=461 ppm1=2.559 ppm2=4.213 assign ( resid 50 and name HB ) ( resid 50 and name HG2# ) 3.9 2.8 0.8 volume=0.850 peak=122 ppm1=3.506 ppm2=1.048 assign ( resid 16 and name HB2 ) ( resid 26 and name HG1# ) 4.2 0.8 0.8 volume=0.616 peak=43 ppm1=1.716 ppm2=0.787 assign ( resid 78 and name HG2# ) ( resid 78 and name HA ) 3.1 0.6 0.6 volume=3.857 peak=299 ppm1=1.124 ppm2=3.902 assign ( resid 59 and name HG2# ) ( resid 59 and name HG1# ) 4.2 2.8 0.8 volume=1.700 peak=197 ppm1=0.441 ppm2=-0.409 assign ( resid 98 and name HA ) ( resid 99 and name HG2# ) 4.1 0.8 0.8 volume=0.699 peak=209 ppm1=3.954 ppm2=0.793 assign ( resid 89 and name HA ) ( resid 85 and name HG ) 3.0 0.6 2.6 volume=1.524 peak=301 ppm1=3.907 ppm2=1.768 assign ( resid 97 and name HD1 ) ( resid 97 and name HB1 ) 3.8 0.8 0.8 volume=0.347 peak=509 ppm1=3.677 ppm2=2.406 assign ( resid 89 and name HB2 ) ( resid 89 and name HA ) 3.6 0.7 0.7 volume=0.515 peak=227 ppm1=1.203 ppm2=3.910 assign ( resid 111 and name HG1 ) ( resid 115 and name HB2 ) 3.2 0.6 1.6 volume=0.947 peak=349 ppm1=1.355 ppm2=2.090 assign ( resid 90 and name HG12 ) ( resid 90 and name HB ) 2.9 0.6 0.6 volume=1.807 peak=184 ppm1=1.625 ppm2=2.026 assign ( resid 69 and name HG1 ) ( resid 69 and name HA ) 3.0 0.6 0.6 volume=1.600 peak=57 ppm1=0.312 ppm2=3.868 assign ( resid 88 and name HB1 ) ( resid 85 and name HA ) 2.6 0.5 1.5 volume=3.220 peak=37 ppm1=1.992 ppm2=4.053 assign ( resid 85 and name HG ) ( resid 86 and name HD1# ) 3.6 0.7 1.7 volume=1.507 peak=263 ppm1=1.742 ppm2=0.807 assign ( resid 5 and name HA ) ( resid 6 and name HN ) 4.1 0.8 0.8 volume=0.233 peak=512 ppm1=3.709 ppm2=8.328 assign ( resid 39 and name HA ) ( resid 38 and name HG1# ) 4.9 1.0 1.0 volume=0.227 peak=192 ppm1=3.470 ppm2=0.522 assign ( resid 32 and name HB2 ) ( resid 32 and name HG ) 3.2 0.6 0.6 volume=0.929 peak=151 ppm1=1.295 ppm2=0.810 assign ( resid 90 and name HD1# ) ( resid 51 and name HG11 ) 3.6 0.7 0.7 volume=1.519 peak=158 ppm1=0.017 ppm2=1.317 assign ( resid 86 and name HD1# ) ( resid 53 and name HG2# ) 5.2 1.0 1.0 volume=0.495 peak=24 ppm1=0.809 ppm2=1.042 assign ( resid 53 and name HB ) ( resid 53 and name HD1# ) 3.6 0.7 0.7 volume=1.541 peak=523 ppm1=1.934 ppm2=1.029 assign ( resid 38 and name HG1# ) ( resid 59 and name HB ) 4.5 0.9 0.9 volume=0.377 peak=186 ppm1=0.510 ppm2=1.443 assign ( resid 76 and name HD2 ) ( resid 75 and name HN ) 5.0 1.0 1.0 volume=0.071 peak=130 ppm1=2.711 ppm2=7.365 assign ( resid 102 and name HB# ) ( resid 102 and name HN ) 3.5 1.7 0.7 volume=1.704 peak=216 ppm1=1.304 ppm2=7.557 assign ( resid 75 and name HB ) ( resid 77 and name HA ) 3.3 0.7 2.7 volume=0.783 peak=415 ppm1=2.164 ppm2=3.945 assign ( resid 53 and name HD1# ) ( resid 53 and name HA ) 3.5 1.7 0.7 volume=1.899 peak=352 ppm1=0.981 ppm2=4.153 assign ( resid 50 and name HG2# ) ( resid 51 and name HA ) 3.1 0.6 0.6 volume=3.655 peak=187 ppm1=1.141 ppm2=4.175 assign ( resid 86 and name HD1# ) ( resid 86 and name HB ) 3.6 2.7 0.7 volume=1.546 peak=287 ppm1=0.810 ppm2=1.957 assign ( resid 86 and name HG2# ) ( resid 89 and name HN ) 4.4 0.9 0.9 volume=0.466 peak=271 ppm1=-0.497 ppm2=7.426 assign ( resid 53 and name HG11 ) ( resid 53 and name HD1# ) 3.3 0.7 0.7 volume=2.667 peak=482 ppm1=1.559 ppm2=1.013 assign ( resid 85 and name HG ) ( resid 89 and name Hn ) 3.3 0.7 0.7 volume=2.667 peak=482 ppm1=1.559 ppm2=1.013 assign ( resid 45 and name HA ) ( resid 45 and name HN ) 3.6 1.7 0.7 volume=0.471 peak=442 ppm1=4.035 ppm2=7.289 assign ( resid 86 and name HD1# ) ( resid 87 and name HN ) 4.3 0.9 0.9 volume=0.497 peak=267 ppm1=0.813 ppm2=7.955 assign ( resid 18 and name HB# ) ( resid 19 and name HN ) 3.3 0.7 0.7 volume=2.320 peak=354 ppm1=1.344 ppm2=8.128 assign ( resid 32 and name HA ) ( resid 32 and name HB2 ) 3.5 0.7 0.7 volume=0.558 peak=83 ppm1=3.605 ppm2=1.326 assign ( resid 65 and name HB1 ) ( resid 65 and name HA ) 2.9 0.6 0.6 volume=1.866 peak=459 ppm1=2.797 ppm2=4.486 assign ( resid 118 and name HA ) ( resid 119 and name HN ) 3.0 0.6 0.6 volume=1.523 peak=539 ppm1=4.148 ppm2=8.120 assign ( resid 116 and name HA ) ( resid 117 and name HN ) 3.1 0.6 0.6 volume=1.125 peak=89 ppm1=4.225 ppm2=8.290 assign ( resid 64 and name HB1 ) ( resid 64 and name HN ) 3.0 0.6 0.6 volume=1.538 peak=116 ppm1=2.205 ppm2=8.243 assign ( resid 88 and name HB1 ) ( resid 87 and name HB2 ) 3.3 0.7 2.7 volume=0.823 peak=496 ppm1=2.064 ppm2=0.824 assign ( resid 110 and name HG ) ( resid 110 and name HN ) 3.5 0.7 0.7 volume=0.574 peak=140 ppm1=1.455 ppm2=8.171 assign ( resid 15 and name HG ) ( resid 86 and name HG11 ) 3.3 0.7 1.7 volume=0.818 peak=68 ppm1=0.726 ppm2=1.472 assign ( resid 84 and name HB2 ) ( resid 84 and name HA ) 3.3 0.7 0.7 volume=0.857 peak=33 ppm1=2.908 ppm2=4.244 assign ( resid 26 and name HB ) ( resid 26 and name HA ) 3.5 0.7 0.7 volume=0.549 peak=143 ppm1=1.818 ppm2=4.153 assign ( resid 59 and name HG2# ) ( resid 60 and name HA1 ) 5.3 1.1 1.1 volume=0.146 peak=435 ppm1=0.447 ppm2=4.312 assign ( resid 77 and name HA ) ( resid 77 and name HN ) 3.4 0.7 0.7 volume=0.689 peak=338 ppm1=3.915 ppm2=8.607 assign ( resid 16 and name HA ) ( resid 16 and name HG1 ) 3.3 0.7 0.7 volume=0.851 peak=4 ppm1=3.737 ppm2=1.366 assign ( resid 89 and name HB2 ) ( resid 86 and name HD1# ) 4.3 0.9 0.9 volume=0.483 peak=245 ppm1=1.204 ppm2=0.868 assign ( resid 85 and name HB2 ) ( resid 86 and name HA ) 3.9 0.8 1.8 volume=0.296 peak=250 ppm1=1.757 ppm2=3.449 assign ( resid 102 and name HB# ) ( resid 103 and name HG2# ) 4.3 0.9 0.9 volume=1.525 peak=234 ppm1=1.306 ppm2=0.862 assign ( resid 65 and name HB1 ) ( resid 64 and name HA ) 3.3 0.7 2.7 volume=0.910 peak=466 ppm1=2.804 ppm2=4.215 assign ( resid 90 and name HD1# ) ( resid 90 and name HG12 ) 3.7 1.7 0.7 volume=1.209 peak=97 ppm1=0.018 ppm2=1.611 assign ( resid 108 and name HG1 ) ( resid 110 and name HN ) 3.9 0.8 0.8 volume=0.294 peak=315 ppm1=2.156 ppm2=8.168 assign ( resid 77 and name HB ) ( resid 79 and name HB# ) 3.8 0.8 1.8 volume=1.053 peak=463 ppm1=2.219 ppm2=0.909 assign ( resid 99 and name HB ) ( resid 99 and name HA ) 3.6 0.7 0.7 volume=0.479 peak=229 ppm1=2.126 ppm2=3.433 assign ( resid 18 and name HA ) ( resid 17 and name HN ) 4.0 0.8 1.8 volume=0.255 peak=96 ppm1=3.801 ppm2=7.858 assign ( resid 72 and name HD2 ) ( resid 75 and name HN ) 4.0 0.8 1.8 volume=0.265 peak=500 ppm1=3.278 ppm2=7.335 assign ( resid 38 and name HG1# ) ( resid 59 and name HG1# ) 5.1 2.0 1.0 volume=0.534 peak=162 ppm1=0.508 ppm2=-0.415 assign ( resid 16 and name HD1 ) ( resid 30 and name HA ) 3.2 0.6 2.0 volume=0.988 peak=211 ppm1=1.700 ppm2=4.376 assign ( resid 12 and name HG2# ) ( resid 12 and name HN ) 3.7 1.7 0.7 volume=1.203 peak=109 ppm1=1.132 ppm2=8.087 assign ( resid 43 and name HG2 ) ( resid 43 and name HA ) 3.2 0.6 0.6 volume=1.061 peak=174 ppm1=2.101 ppm2=4.315 assign ( resid 112 and name HA ) ( resid 111 and name HN ) 3.3 0.7 1.7 volume=0.888 peak=386 ppm1=4.393 ppm2=8.226 assign ( resid 21 and name HA ) ( resid 21 and name HG2# ) 3.7 0.7 0.7 volume=1.256 peak=199 ppm1=4.115 ppm2=1.359 assign ( resid 31 and name HA ) ( resid 32 and name HG ) 3.9 0.8 2.0 volume=0.286 peak=218 ppm1=3.485 ppm2=0.825 assign ( resid 75 and name HG2# ) ( resid 67 and name HB2 ) 3.7 0.7 2.7 volume=1.299 peak=224 ppm1=0.509 ppm2=3.353 assign ( resid 79 and name HB# ) ( resid 79 and name HA ) 3.4 2.7 0.7 volume=1.928 peak=265 ppm1=0.796 ppm2=3.992 assign ( resid 89 and name HB2 ) ( resid 89 and name HN ) 3.8 2.8 0.8 volume=0.341 peak=448 ppm1=1.204 ppm2=7.451 assign ( resid 46 and name HA ) ( resid 46 and name HG1 ) 3.2 2.6 0.6 volume=1.033 peak=312 ppm1=4.011 ppm2=2.043 assign ( resid 46 and name HD2 ) ( resid 45 and name HN ) 3.8 1.8 0.8 volume=0.331 peak=61 ppm1=3.367 ppm2=7.296 assign ( resid 59 and name HA ) ( resid 60 and name HN ) 4.0 0.8 0.8 volume=0.245 peak=423 ppm1=3.670 ppm2=7.559 assign ( resid 87 and name HA ) ( resid 87 and name HG2 ) 3.6 0.7 0.7 volume=0.528 peak=161 ppm1=3.221 ppm2=1.741 assign ( resid 89 and name HA ) ( resid 88 and name HB1 ) 2.7 0.5 2.5 volume=2.973 peak=513 ppm1=3.913 ppm2=2.074 assign ( resid 29 and name HB# ) ( resid 29 and name HA ) 3.2 1.6 0.6 volume=2.986 peak=340 ppm1=1.231 ppm2=3.713 assign ( resid 86 and name HG11 ) ( resid 86 and name HN ) 3.8 0.8 0.8 volume=0.330 peak=119 ppm1=1.421 ppm2=7.932 assign ( resid 15 and name HD1# ) ( resid 86 and name HG11 ) 4.0 0.8 0.8 volume=0.838 peak=280 ppm1=0.342 ppm2=1.483 assign ( resid 90 and name HG2# ) ( resid 90 and name HD1# ) 4.0 2.8 0.8 volume=2.323 peak=254 ppm1=0.609 ppm2=0.025 assign ( resid 68 and name HA ) ( resid 70 and name HN ) 3.1 0.6 0.6 volume=1.173 peak=454 ppm1=4.410 ppm2=8.673 assign ( resid 72 and name HD2 ) ( resid 68 and name HA ) 3.0 0.6 0.6 volume=1.393 peak=244 ppm1=3.278 ppm2=4.364 assign ( resid 53 and name HB ) ( resid 53 and name HN ) 3.2 0.6 0.6 volume=0.916 peak=99 ppm1=1.934 ppm2=8.764 assign ( resid 19 and name HG ) ( resid 85 and name HG ) 2.7 2.5 1.5 volume=2.938 peak=77 ppm1=0.740 ppm2=1.847 assign ( resid 86 and name HG2# ) ( resid 86 and name HB ) 3.5 1.7 0.7 volume=1.807 peak=42 ppm1=-0.495 ppm2=1.952 assign ( resid 74 and name HB1 ) ( resid 73 and name HA ) 3.9 0.8 1.8 volume=0.329 peak=231 ppm1=1.592 ppm2=4.120 assign ( resid 86 and name HD1# ) ( resid 89 and name HD1# ) 4.0 0.8 1.8 volume=2.319 peak=215 ppm1=0.810 ppm2=0.595 assign ( resid 35 and name HB1 ) ( resid 33 and name HN ) 4.3 0.9 0.9 volume=0.168 peak=111 ppm1=2.879 ppm2=7.240 assign ( resid 53 and name HB ) ( resid 53 and name HG11 ) 3.2 0.6 0.6 volume=1.069 peak=300 ppm1=1.935 ppm2=1.548 assign ( resid 77 and name HA ) ( resid 77 and name HB ) 3.1 0.6 0.6 volume=1.225 peak=22 ppm1=3.916 ppm2=2.218 assign ( resid 39 and name HA ) ( resid 39 and name HN ) 3.7 0.7 0.7 volume=0.427 peak=54 ppm1=3.473 ppm2=7.587 assign ( resid 79 and name HA ) ( resid 82 and name HB2 ) 3.7 0.7 0.7 volume=0.400 peak=391 ppm1=4.010 ppm2=1.590 assign ( resid 14 and name HB1 ) ( resid 11 and name HB1 ) 4.0 0.8 1.8 volume=0.245 peak=29 ppm1=2.177 ppm2=2.986 assign ( resid 76 and name HD2 ) ( resid 79 and name HB2 ) 4.1 0.8 1.8 volume=0.234 peak=308 ppm1=2.722 ppm2=0.797 assign ( resid 66 and name HB2 ) ( resid 65 and name HA ) 3.4 0.7 2.7 volume=0.683 peak=133 ppm1=3.287 ppm2=4.427 assign ( resid 77 and name HA ) ( resid 77 and name HG2# ) 3.6 1.7 0.7 volume=1.516 peak=6 ppm1=3.916 ppm2=1.065 assign ( resid 19 and name HB1 ) ( resid 20 and name HN ) 3.8 0.8 0.8 volume=0.377 peak=3 ppm1=1.724 ppm2=8.361 assign ( resid 43 and name HD1 ) ( resid 43 and name HG2 ) 2.9 0.6 0.6 volume=1.843 peak=358 ppm1=3.891 ppm2=2.042 assign ( resid 26 and name HG2# ) ( resid 26 and name HB ) 3.2 0.6 0.6 volume=3.296 peak=532 ppm1=0.689 ppm2=1.832 assign ( resid 90 and name HD1# ) ( resid 86 and name HG2# ) 4.4 0.9 0.9 volume=1.255 peak=452 ppm1=0.020 ppm2=-0.485 assign ( resid 53 and name HG11 ) ( resid 52 and name HA ) 3.6 0.7 1.7 volume=0.496 peak=408 ppm1=1.532 ppm2=4.692 assign ( resid 75 and name HB ) ( resid 74 and name HD1 ) 3.0 0.6 1.6 volume=1.587 peak=433 ppm1=2.165 ppm2=1.955 assign ( resid 89 and name HG ) ( resid 85 and name HG ) 2.7 0.5 2.5 volume=3.068 peak=359 ppm1=0.635 ppm2=1.746 assign ( resid 72 and name HD2 ) ( resid 71 and name HN ) 4.3 1.9 0.9 volume=0.181 peak=456 ppm1=3.284 ppm2=7.904 assign ( resid 88 and name HB1 ) ( resid 87 and name HG2 ) 2.7 0.5 0.5 volume=2.557 peak=47 ppm1=2.060 ppm2=1.716 assign ( resid 45 and name HA ) ( resid 50 and name HG2# ) 4.3 0.9 0.9 volume=0.476 peak=495 ppm1=4.052 ppm2=1.157 assign ( resid 77 and name HG2# ) ( resid 76 and name HD2 ) 4.0 0.8 1.8 volume=0.732 peak=505 ppm1=1.054 ppm2=2.734 assign ( resid 86 and name HB ) ( resid 86 and name HG2# ) 5.5 4.1 1.1 volume=0.120 peak=252 ppm1=1.995 ppm2=-0.459 assign ( resid 67 and name HB2 ) ( resid 64 and name HB2 ) 4.5 0.9 0.9 volume=0.123 peak=404 ppm1=3.284 ppm2=2.214 assign ( resid 90 and name HA ) ( resid 90 and name HD1# ) 5.0 4.0 1.0 volume=0.201 peak=45 ppm1=3.361 ppm2=0.096 assign ( resid 119 and name HA ) ( resid 115 and name HB2 ) 3.3 0.7 0.7 volume=0.766 peak=80 ppm1=4.072 ppm2=2.118 assign ( resid 85 and name HG ) ( resid 88 and name HG1 ) 3.5 0.7 0.7 volume=0.574 peak=20 ppm1=1.734 ppm2=2.224 assign ( resid 86 and name HB ) ( resid 83 and name HA ) 3.6 0.7 0.7 volume=0.486 peak=501 ppm1=1.983 ppm2=4.402 assign ( resid 108 and name HB1 ) ( resid 109 and name HN ) 3.0 0.6 1.6 volume=1.343 peak=531 ppm1=1.827 ppm2=8.146 assign ( resid 15 and name HD1# ) ( resid 15 and name HA ) 3.7 2.7 0.7 volume=1.292 peak=343 ppm1=0.340 ppm2=3.876 assign ( resid 67 and name HB2 ) ( resid 75 and name HG2# ) 5.2 1.0 1.0 volume=0.165 peak=417 ppm1=3.274 ppm2=0.530 assign ( resid 99 and name HA ) ( resid 99 and name HN ) 3.6 0.7 0.7 volume=0.457 peak=356 ppm1=3.436 ppm2=7.896 assign ( resid 18 and name HA ) ( resid 18 and name HB# ) 3.5 2.7 0.7 volume=1.800 peak=141 ppm1=3.799 ppm2=1.348 assign ( resid 92 and name HB1 ) ( resid 95 and name HG1# ) 3.6 0.7 1.7 volume=1.609 peak=424 ppm1=1.934 ppm2=0.833 assign ( resid 86 and name HG2# ) ( resid 90 and name HB ) 4.4 0.9 0.9 volume=0.418 peak=52 ppm1=-0.495 ppm2=1.687 assign ( resid 43 and name HB1 ) ( resid 45 and name HN ) 4.4 0.9 0.9 volume=0.151 peak=17 ppm1=2.435 ppm2=7.311 assign ( resid 88 and name HA ) ( resid 88 and name HB1 ) 2.6 0.5 0.5 volume=3.502 peak=481 ppm1=3.860 ppm2=2.022 assign ( resid 32 and name HB2 ) ( resid 34 and name HN ) 3.9 0.8 0.8 volume=0.313 peak=511 ppm1=1.302 ppm2=7.850 assign ( resid 101 and name HB# ) ( resid 99 and name HB ) 3.9 0.8 1.8 volume=0.945 peak=411 ppm1=1.409 ppm2=2.144 assign ( resid 72 and name HD2 ) ( resid 72 and name HB1 ) 3.5 0.7 1.7 volume=0.633 peak=7 ppm1=3.288 ppm2=2.436 assign ( resid 25 and name HA ) ( resid 26 and name HN ) 2.9 0.6 0.6 volume=1.946 peak=208 ppm1=4.339 ppm2=7.548 assign ( resid 86 and name HA ) ( resid 89 and name HB2 ) 4.2 2.8 0.8 volume=0.184 peak=437 ppm1=3.461 ppm2=1.263 assign ( resid 74 and name HB1 ) ( resid 73 and name HN ) 4.1 0.8 0.8 volume=0.224 peak=504 ppm1=1.613 ppm2=8.613 assign ( resid 38 and name HB ) ( resid 38 and name HG2# ) 4.2 2.8 0.8 volume=0.606 peak=108 ppm1=2.313 ppm2=0.705 assign ( resid 118 and name HA ) ( resid 118 and name HB2 ) 2.7 0.5 0.5 volume=2.882 peak=540 ppm1=4.158 ppm2=1.517 assign ( resid 38 and name HG2# ) ( resid 38 and name HN ) 3.8 2.8 0.8 volume=1.020 peak=74 ppm1=0.695 ppm2=8.448 assign ( resid 77 and name HA ) ( resid 80 and name HB1 ) 4.3 0.9 0.9 volume=0.179 peak=541 ppm1=3.917 ppm2=2.989 assign ( resid 85 and name HA ) ( resid 86 and name HB ) 2.5 0.5 3.0 volume=4.217 peak=322 ppm1=4.044 ppm2=2.002 assign ( resid 78 and name HB ) ( resid 79 and name HN ) 4.5 0.9 0.9 volume=0.121 peak=455 ppm1=3.868 ppm2=7.804 assign ( resid 68 and name HA ) ( resid 68 and name HB1 ) 3.1 0.6 0.6 volume=1.218 peak=328 ppm1=4.379 ppm2=2.905 assign ( resid 75 and name HG2# ) ( resid 75 and name HB ) 3.3 0.7 0.7 volume=2.533 peak=548 ppm1=0.508 ppm2=2.233 assign ( resid 90 and name HD1# ) ( resid 51 and name HD1# ) 3.7 0.7 0.7 volume=3.693 peak=135 ppm1=0.018 ppm2=0.613 assign ( resid 59 and name HG2# ) ( resid 58 and name HB1 ) 4.7 0.9 0.9 volume=0.313 peak=468 ppm1=0.439 ppm2=2.179 assign ( resid 12 and name HG2# ) ( resid 9 and name HA ) 3.8 0.8 0.8 volume=1.056 peak=50 ppm1=1.126 ppm2=3.884 assign ( resid 73 and name HB1 ) ( resid 74 and name HN ) 2.9 0.6 0.6 volume=1.782 peak=464 ppm1=1.987 ppm2=7.505 assign ( resid 101 and name HA ) ( resid 103 and name HB ) 3.3 0.7 0.7 volume=0.785 peak=182 ppm1=4.204 ppm2=2.125 assign ( resid 29 and name HA ) ( resid 27 and name HD2 ) 3.7 0.7 0.7 volume=0.447 peak=307 ppm1=3.711 ppm2=1.701 assign ( resid 31 and name HG ) ( resid 31 and name HA ) 3.5 1.7 0.7 volume=0.576 peak=191 ppm1=0.592 ppm2=3.505 assign ( resid 18 and name HA ) ( resid 19 and name HD2# ) 5.2 1.0 1.0 volume=0.157 peak=502 ppm1=3.794 ppm2=0.613 assign ( resid 86 and name HG2# ) ( resid 51 and name HD1# ) 4.2 0.8 0.8 volume=1.887 peak=171 ppm1=-0.493 ppm2=0.628 assign ( resid 31 and name HD1# ) ( resid 12 and name HG2# ) 4.6 0.9 0.9 volume=0.961 peak=28 ppm1=0.559 ppm2=1.078 assign ( resid 35 and name HA ) ( resid 34 and name HN ) 3.4 0.7 2.7 volume=0.745 peak=375 ppm1=3.769 ppm2=7.712 assign ( resid 51 and name HD1# ) ( resid 86 and name HG11 ) 4.6 1.9 0.9 volume=0.329 peak=65 ppm1=0.618 ppm2=1.484 assign ( resid 79 and name HA ) ( resid 80 and name HN ) 3.6 0.7 0.7 volume=0.512 peak=486 ppm1=4.001 ppm2=7.324 assign ( resid 38 and name HG1# ) ( resid 38 and name HA ) 3.8 2.8 0.8 volume=1.073 peak=444 ppm1=0.508 ppm2=3.076 assign ( resid 98 and name HA ) ( resid 102 and name HB# ) 4.1 0.8 0.8 volume=0.633 peak=542 ppm1=3.948 ppm2=1.357 assign ( resid 53 and name HB ) ( resid 53 and name HA ) 3.4 0.7 0.7 volume=0.660 peak=281 ppm1=1.937 ppm2=4.143 assign ( resid 11 and name HB1 ) ( resid 12 and name HN ) 3.9 0.8 0.8 volume=0.298 peak=156 ppm1=3.079 ppm2=8.051 assign ( resid 5 and name HG ) ( resid 8 and name HB2 ) 3.7 0.7 1.7 volume=0.445 peak=189 ppm1=1.003 ppm2=3.044 assign ( resid 51 and name HD1# ) ( resid 51 and name HA ) 3.9 1.8 0.8 volume=0.860 peak=321 ppm1=0.622 ppm2=4.147 assign ( resid 19 and name HG ) ( resid 21 and name HG2# ) 3.4 0.7 1.7 volume=2.117 peak=318 ppm1=0.740 ppm2=1.435 assign ( resid 88 and name HA ) ( resid 87 and name HG2 ) 2.9 0.6 0.6 volume=1.916 peak=462 ppm1=3.867 ppm2=1.784 assign ( resid 32 and name HA ) ( resid 34 and name HN ) 3.7 0.7 1.7 volume=0.443 peak=205 ppm1=3.600 ppm2=7.830 assign ( resid 98 and name HA ) ( resid 98 and name HG2 ) 2.8 0.6 0.6 volume=2.381 peak=222 ppm1=3.943 ppm2=2.439 assign ( resid 86 and name HB ) ( resid 87 and name HA ) 4.0 0.8 0.8 volume=0.282 peak=382 ppm1=1.978 ppm2=3.182 assign ( resid 85 and name HA ) ( resid 85 and name HB2 ) 2.8 0.6 0.6 volume=2.469 peak=295 ppm1=4.056 ppm2=1.762 assign ( resid 77 and name HG2# ) ( resid 77 and name HB ) 3.0 0.6 0.6 volume=4.259 peak=134 ppm1=1.054 ppm2=2.217 assign ( resid 14 and name HB1 ) ( resid 10 and name HB2 ) 2.7 0.5 1.5 volume=2.728 peak=155 ppm1=2.202 ppm2=1.921 assign ( resid 86 and name HG2# ) ( resid 86 and name HG11 ) 3.8 0.8 0.8 volume=1.029 peak=469 ppm1=-0.496 ppm2=1.395 assign ( resid 38 and name HB ) ( resid 38 and name HG1# ) 4.3 2.9 0.9 volume=0.523 peak=330 ppm1=2.303 ppm2=0.508 assign ( resid 75 and name HB ) ( resid 75 and name HG2# ) 4.2 2.8 0.8 volume=0.575 peak=371 ppm1=2.204 ppm2=0.499 assign ( resid 53 and name HD1# ) ( resid 90 and name HG2# ) 5.2 2.0 1.0 volume=0.500 peak=323 ppm1=0.980 ppm2=0.595 assign ( resid 15 and name HG ) ( resid 15 and name HB1 ) 2.9 0.6 0.6 volume=1.742 peak=493 ppm1=0.724 ppm2=1.812 assign ( resid 9 and name HA ) ( resid 12 and name HB ) 2.7 0.5 0.5 volume=2.690 peak=67 ppm1=3.971 ppm2=2.057 assign ( resid 99 and name HA ) ( resid 99 and name HB ) 3.8 0.8 0.8 volume=0.376 peak=458 ppm1=3.436 ppm2=2.126 assign ( resid 86 and name HA ) ( resid 89 and name HN ) 4.0 0.8 0.8 volume=0.244 peak=345 ppm1=3.460 ppm2=7.436 assign ( resid 85 and name HG ) ( resid 89 and name HB2 ) 3.9 0.8 0.8 volume=0.301 peak=264 ppm1=1.739 ppm2=1.192 assign ( resid 15 and name HB1 ) ( resid 15 and name HD1# ) 5.1 4.0 1.0 volume=0.190 peak=75 ppm1=1.825 ppm2=0.339 assign ( resid 59 and name HG2# ) ( resid 59 and name HB ) 3.8 2.8 0.8 volume=1.100 peak=506 ppm1=0.441 ppm2=1.490 assign ( resid 14 and name HG2 ) ( resid 10 and name HB2 ) 3.9 0.8 0.8 volume=0.306 peak=275 ppm1=2.551 ppm2=1.896 assign ( resid 89 and name HB2 ) ( resid 90 and name HA ) 4.3 0.9 0.9 volume=0.172 peak=445 ppm1=1.207 ppm2=3.407 assign ( resid 90 and name HG2# ) ( resid 90 and name HA ) 3.7 1.7 0.7 volume=1.351 peak=369 ppm1=0.605 ppm2=3.343 assign ( resid 76 and name HD2 ) ( resid 76 and name HG1 ) 3.7 0.7 0.7 volume=0.454 peak=557 ppm1=2.717 ppm2=1.735 assign ( resid 16 and name HB2 ) ( resid 17 and name HN ) 3.5 0.7 0.7 volume=0.620 peak=425 ppm1=1.741 ppm2=7.854 assign ( resid 98 and name HA ) ( resid 98 and name HN ) 3.3 0.7 0.7 volume=0.828 peak=13 ppm1=3.956 ppm2=8.269 assign ( resid 113 and name HB2 ) ( resid 112 and name HA ) 4.8 1.0 1.0 volume=0.085 peak=257 ppm1=2.757 ppm2=4.400 assign ( resid 15 and name HB1 ) ( resid 18 and name HB# ) 3.7 0.7 1.7 volume=1.274 peak=84 ppm1=1.889 ppm2=1.459 assign ( resid 97 and name HA ) ( resid 101 and name HB# ) 4.7 0.9 0.9 volume=0.300 peak=225 ppm1=4.326 ppm2=1.383 assign ( resid 14 and name HG2 ) ( resid 14 and name HB1 ) 3.6 0.7 0.7 volume=0.487 peak=298 ppm1=2.553 ppm2=2.200 assign ( resid 26 and name HA ) ( resid 26 and name HB ) 2.9 0.6 0.6 volume=1.912 peak=344 ppm1=4.136 ppm2=1.824 assign ( resid 59 and name HG2# ) ( resid 41 and name HA ) 5.1 1.0 1.0 volume=0.194 peak=389 ppm1=0.450 ppm2=3.987 assign ( resid 16 and name HA ) ( resid 16 and name HD2 ) 3.2 0.6 1.6 volume=1.064 peak=381 ppm1=3.731 ppm2=1.728 assign ( resid 99 and name HB ) ( resid 99 and name HN ) 3.3 1.7 0.7 volume=0.760 peak=190 ppm1=2.139 ppm2=7.926 assign ( resid 99 and name HB ) ( resid 99 and name HG2# ) 3.5 1.7 0.7 volume=1.794 peak=524 ppm1=2.149 ppm2=0.839 assign ( resid 80 and name HB1 ) ( resid 81 and name HN ) 3.5 0.7 0.7 volume=0.579 peak=85 ppm1=2.977 ppm2=7.757 assign ( resid 118 and name HB2 ) ( resid 118 and name HA ) 3.9 1.8 0.8 volume=0.318 peak=101 ppm1=1.550 ppm2=4.147 assign ( resid 53 and name HG11 ) ( resid 90 and name HB ) 2.9 0.6 0.6 volume=1.961 peak=178 ppm1=1.552 ppm2=1.957 assign ( resid 74 and name HB1 ) ( resid 74 and name HA ) 3.5 1.7 0.7 volume=0.572 peak=363 ppm1=1.614 ppm2=4.406 assign ( resid 12 and name HG2# ) ( resid 12 and name HB ) 3.5 1.7 0.7 volume=1.810 peak=489 ppm1=1.128 ppm2=2.066 assign ( resid 12 and name HG2# ) ( resid 12 and name HA ) 3.7 2.7 0.7 volume=1.339 peak=499 ppm1=1.128 ppm2=3.116 assign ( resid 117 and name HA ) ( resid 117 and name HN ) 3.3 0.7 0.7 volume=0.797 peak=451 ppm1=4.573 ppm2=8.305 assign ( resid 117 and name HA ) ( resid 118 and name HN ) 3.0 0.6 0.6 volume=1.390 peak=69 ppm1=4.572 ppm2=8.085 assign ( resid 53 and name HA ) ( resid 53 and name HD1# ) 3.7 1.7 0.7 volume=1.350 peak=138 ppm1=4.145 ppm2=1.004 assign ( resid 38 and name HG1# ) ( resid 38 and name HN ) 4.5 1.9 0.9 volume=0.398 peak=90 ppm1=0.508 ppm2=8.487 assign ( resid 35 and name HB1 ) ( resid 35 and name HA ) 3.4 0.7 0.7 volume=0.654 peak=480 ppm1=2.889 ppm2=3.800 assign ( resid 21 and name HA ) ( resid 22 and name HN ) 4.0 0.8 0.8 volume=0.271 peak=436 ppm1=4.114 ppm2=7.312 assign ( resid 90 and name HG12 ) ( resid 90 and name HD1# ) 4.3 2.9 0.9 volume=0.477 peak=399 ppm1=1.619 ppm2=0.032 assign ( resid 90 and name HA ) ( resid 51 and name HG11 ) 3.9 0.8 0.8 volume=0.296 peak=163 ppm1=3.351 ppm2=1.316 assign ( resid 21 and name HB ) ( resid 22 and name HN ) 4.1 0.8 0.8 volume=0.232 peak=230 ppm1=4.209 ppm2=7.393 assign ( resid 12 and name HG2# ) ( resid 11 and name HB1 ) 3.7 0.7 0.7 volume=1.294 peak=297 ppm1=1.126 ppm2=3.113 assign ( resid 46 and name HD2 ) ( resid 46 and name HB2 ) 3.7 0.7 0.7 volume=0.437 peak=555 ppm1=3.368 ppm2=2.558 assign ( resid 59 and name HG1# ) ( resid 59 and name HB ) 3.7 2.7 0.7 volume=1.351 peak=397 ppm1=-0.418 ppm2=1.479 assign ( resid 75 and name HG2# ) ( resid 77 and name HG2# ) 3.8 0.8 1.8 volume=3.113 peak=350 ppm1=0.508 ppm2=1.142 assign ( resid 86 and name HG2# ) ( resid 90 and name HD1# ) 4.4 0.9 0.9 volume=1.257 peak=530 ppm1=-0.494 ppm2=0.025 assign ( resid 51 and name HD1# ) ( resid 52 and name HN ) 3.6 0.7 0.7 volume=1.483 peak=426 ppm1=0.620 ppm2=7.148 assign ( resid 53 and name HG2# ) ( resid 53 and name HB ) 3.2 0.6 0.6 volume=2.813 peak=440 ppm1=1.053 ppm2=1.932 assign ( resid 15 and name HG ) ( resid 15 and name HD1# ) 3.8 2.8 0.8 volume=1.113 peak=125 ppm1=0.722 ppm2=0.349 assign ( resid 19 and name HD2# ) ( resid 85 and name HD2# ) 3.3 0.7 1.7 volume=7.314 peak=70 ppm1=0.635 ppm2=0.803 assign ( resid 59 and name HA ) ( resid 59 and name HB ) 4.0 2.8 0.8 volume=0.250 peak=214 ppm1=3.672 ppm2=1.468 assign ( resid 15 and name HD1# ) ( resid 86 and name HA ) 4.3 0.9 0.9 volume=0.520 peak=289 ppm1=0.342 ppm2=3.412 assign ( resid 59 and name HG2# ) ( resid 59 and name HA ) 3.9 2.8 0.8 volume=0.893 peak=175 ppm1=0.440 ppm2=3.675 assign ( resid 88 and name HA ) ( resid 87 and name HN ) 3.3 0.7 1.9 volume=0.825 peak=123 ppm1=3.850 ppm2=7.886 assign ( resid 39 and name HA ) ( resid 39 and name HG2 ) 3.3 0.7 0.7 volume=0.851 peak=374 ppm1=3.470 ppm2=1.373 assign ( resid 53 and name HB ) ( resid 51 and name HG2# ) 4.4 0.9 0.9 volume=0.431 peak=326 ppm1=1.934 ppm2=0.599 assign ( resid 86 and name HD1# ) ( resid 86 and name HA ) 3.7 0.7 0.7 volume=1.339 peak=1 ppm1=0.811 ppm2=3.460 assign ( resid 38 and name HB ) ( resid 38 and name HN ) 3.8 0.8 0.8 volume=0.360 peak=327 ppm1=2.310 ppm2=8.460 assign ( resid 59 and name HG2# ) ( resid 60 and name HN ) 4.0 0.8 0.8 volume=0.810 peak=339 ppm1=0.440 ppm2=7.542 assign ( resid 99 and name HB ) ( resid 98 and name HN ) 3.6 0.7 1.7 volume=0.519 peak=314 ppm1=2.147 ppm2=8.311 assign ( resid 27 and name HB2 ) ( resid 27 and name HN ) 3.6 0.7 0.7 volume=0.492 peak=342 ppm1=1.651 ppm2=8.640 assign ( resid 87 and name HA ) ( resid 88 and name HN ) 4.3 0.9 0.9 volume=0.175 peak=392 ppm1=3.233 ppm2=7.641 assign ( resid 59 and name HG1# ) ( resid 59 and name HG2# ) 3.9 2.8 0.8 volume=2.947 peak=473 ppm1=-0.416 ppm2=0.462 assign ( resid 85 and name HA ) ( resid 89 and name HB2 ) 3.3 0.7 1.7 volume=0.783 peak=55 ppm1=4.051 ppm2=1.313 assign ( resid 75 and name HB ) ( resid 77 and name HG2# ) 4.2 0.8 0.8 volume=0.598 peak=203 ppm1=2.201 ppm2=1.102 assign ( resid 46 and name HD2 ) ( resid 46 and name HG1 ) 3.5 0.7 0.7 volume=0.547 peak=60 ppm1=3.367 ppm2=2.115 assign ( resid 38 and name HG1# ) ( resid 39 and name HN ) 4.3 0.9 0.9 volume=0.520 peak=221 ppm1=0.511 ppm2=7.564 assign ( resid 97 and name HD1 ) ( resid 97 and name HG2 ) 3.1 0.6 2.6 volume=1.211 peak=390 ppm1=3.672 ppm2=2.097 assign ( resid 29 and name HB# ) ( resid 31 and name HN ) 5.2 1.0 1.0 volume=0.159 peak=206 ppm1=1.225 ppm2=7.613 assign ( resid 85 and name HG ) ( resid 89 and name HN ) 3.6 0.7 0.7 volume=0.495 peak=554 ppm1=1.759 ppm2=7.445 assign ( resid 16 and name HA ) ( resid 20 and name HN ) 3.6 0.7 0.7 volume=0.482 peak=485 ppm1=3.728 ppm2=8.336 assign ( resid 85 and name HA ) ( resid 22 and name HG1 ) 3.0 0.6 2.6 volume=1.360 peak=546 ppm1=4.051 ppm2=1.562 assign ( resid 90 and name HA ) ( resid 90 and name HG2# ) 4.3 2.9 0.9 volume=0.528 peak=552 ppm1=3.350 ppm2=0.598 assign ( resid 38 and name HG1# ) ( resid 37 and name HB1 ) 4.0 0.8 0.8 volume=0.775 peak=66 ppm1=0.508 ppm2=2.775 assign ( resid 54 and name HB2 ) ( resid 54 and name HN ) 3.3 0.7 0.7 volume=0.872 peak=331 ppm1=1.893 ppm2=8.101 assign ( resid 53 and name HD1# ) ( resid 90 and name HD1# ) 5.4 3.1 1.1 volume=0.381 peak=545 ppm1=0.984 ppm2=0.034 assign ( resid 38 and name HG2# ) ( resid 38 and name HB ) 3.7 1.7 0.7 volume=1.213 peak=273 ppm1=0.695 ppm2=2.295 assign ( resid 90 and name HD1# ) ( resid 95 and name HG1# ) 4.7 0.9 0.9 volume=0.925 peak=32 ppm1=0.017 ppm2=0.900 assign ( resid 59 and name HG2# ) ( resid 60 and name HA2 ) 4.4 0.9 0.9 volume=0.422 peak=347 ppm1=0.439 ppm2=2.469 assign ( resid 35 and name HA ) ( resid 35 and name HB1 ) 3.1 0.6 0.6 volume=1.321 peak=398 ppm1=3.800 ppm2=2.937 assign ( resid 27 and name HG2 ) ( resid 27 and name HE2 ) 3.1 0.6 0.6 volume=1.195 peak=430 ppm1=1.522 ppm2=2.952 assign ( resid 118 and name HA ) ( resid 118 and name HG ) 3.0 0.6 0.6 volume=1.445 peak=472 ppm1=4.149 ppm2=0.803 assign ( resid 38 and name HA ) ( resid 39 and name HN ) 3.8 0.8 0.8 volume=0.337 peak=104 ppm1=3.086 ppm2=7.630 assign ( resid 86 and name HG2# ) ( resid 86 and name HA ) 3.9 0.8 0.8 volume=0.953 peak=370 ppm1=-0.495 ppm2=3.449 assign ( resid 16 and name HA ) ( resid 19 and name HN ) 4.0 0.8 0.8 volume=0.283 peak=278 ppm1=3.730 ppm2=8.161 assign ( resid 95 and name HB ) ( resid 95 and name HG1# ) 4.1 2.8 0.8 volume=0.650 peak=290 ppm1=2.050 ppm2=0.885 assign ( resid 86 and name HA ) ( resid 86 and name HG11 ) 4.4 2.9 0.9 volume=0.151 peak=362 ppm1=3.464 ppm2=1.449 assign ( resid 67 and name HB2 ) ( resid 63 and name HA ) 3.7 0.7 0.7 volume=0.433 peak=507 ppm1=3.275 ppm2=4.111 assign ( resid 109 and name HA ) ( resid 107 and name HB2 ) 3.4 0.7 1.7 volume=0.652 peak=283 ppm1=4.041 ppm2=1.915 assign ( resid 14 and name HG2 ) ( resid 14 and name HA ) 4.2 0.8 0.8 volume=0.184 peak=274 ppm1=2.558 ppm2=3.648 assign ( resid 88 and name HG1 ) ( resid 89 and name HN ) 3.1 0.6 0.6 volume=1.106 peak=494 ppm1=2.264 ppm2=7.490 assign ( resid 74 and name HA ) ( resid 74 and name HB1 ) 3.0 0.6 0.6 volume=1.593 peak=270 ppm1=4.355 ppm2=1.626 assign ( resid 75 and name HG2# ) ( resid 75 and name HN ) 3.7 1.7 0.7 volume=1.295 peak=311 ppm1=0.508 ppm2=7.277 assign ( resid 38 and name HG2# ) ( resid 38 and name HA ) 3.8 0.8 0.8 volume=1.072 peak=492 ppm1=0.696 ppm2=3.098 assign ( resid 102 and name HB# ) ( resid 103 and name HN ) 4.0 0.8 0.8 volume=0.810 peak=53 ppm1=1.305 ppm2=8.855 assign ( resid 26 and name HA ) ( resid 26 and name HG1# ) 3.5 1.7 0.7 volume=1.826 peak=160 ppm1=4.144 ppm2=0.733 assign ( resid 87 and name HA ) ( resid 89 and name HB2 ) 3.4 0.7 2.7 volume=0.668 peak=378 ppm1=3.223 ppm2=1.297 assign ( resid 53 and name HB ) ( resid 54 and name HN ) 3.8 1.8 0.8 volume=0.334 peak=30 ppm1=1.936 ppm2=8.101 assign ( resid 26 and name HA ) ( resid 27 and name HN ) 2.8 0.6 0.6 volume=2.103 peak=520 ppm1=4.147 ppm2=8.608 assign ( resid 59 and name HG2# ) ( resid 59 and name HN ) 3.9 0.8 0.8 volume=0.962 peak=8 ppm1=0.441 ppm2=7.825 assign ( resid 15 and name HD1# ) ( resid 15 and name HB1 ) 3.6 1.7 0.7 volume=1.585 peak=296 ppm1=0.341 ppm2=1.816 assign ( resid 74 and name HB1 ) ( resid 74 and name HD1 ) 2.9 0.6 0.6 volume=1.798 peak=261 ppm1=1.607 ppm2=1.979 assign ( resid 88 and name HG1 ) ( resid 88 and name HB1 ) 2.1 0.4 0.4 volume=13.389 peak=152 ppm1=2.268 ppm2=1.997 assign ( resid 51 and name HD1# ) ( resid 86 and name HN ) 4.3 0.9 0.9 volume=0.481 peak=527 ppm1=0.628 ppm2=7.888 assign ( resid 51 and name HG11 ) ( resid 89 and name HG ) 3.2 0.6 2.6 volume=1.019 peak=100 ppm1=1.257 ppm2=0.640 assign ( resid 53 and name HD1# ) ( resid 53 and name HB ) 3.7 0.7 0.7 volume=1.358 peak=538 ppm1=0.983 ppm2=1.921 assign ( resid 69 and name HA ) ( resid 69 and name HG1 ) 3.1 0.6 0.6 volume=1.302 peak=137 ppm1=3.866 ppm2=0.314 assign ( resid 29 and name HB# ) ( resid 30 and name HN ) 3.9 0.8 0.8 volume=0.919 peak=15 ppm1=1.231 ppm2=6.921 assign ( resid 43 and name HD1 ) ( resid 43 and name HB1 ) 3.8 0.8 0.8 volume=0.347 peak=302 ppm1=3.899 ppm2=2.385 assign ( resid 73 and name HB1 ) ( resid 73 and name HN ) 3.0 0.6 0.6 volume=1.425 peak=16 ppm1=1.985 ppm2=8.603 assign ( resid 21 and name HG2# ) ( resid 19 and name HA ) 4.0 0.8 0.8 volume=0.799 peak=526 ppm1=1.355 ppm2=3.807 assign ( resid 33 and name HB2 ) ( resid 33 and name HN ) 3.1 0.6 0.6 volume=1.215 peak=239 ppm1=1.908 ppm2=7.188 assign ( resid 90 and name HD1# ) ( resid 51 and name HA ) 4.3 0.9 0.9 volume=0.490 peak=449 ppm1=0.018 ppm2=4.143 assign ( resid 51 and name HB ) ( resid 51 and name HG11 ) 3.8 2.8 0.8 volume=0.335 peak=332 ppm1=1.991 ppm2=1.224 assign ( resid 19 and name HB1 ) ( resid 21 and name HN ) 3.6 0.7 1.7 volume=0.517 peak=72 ppm1=1.691 ppm2=7.858 assign ( resid 51 and name HG11 ) ( resid 52 and name HN ) 4.3 0.9 0.9 volume=0.178 peak=128 ppm1=1.271 ppm2=7.170 assign ( resid 32 and name HA ) ( resid 32 and name HG ) 3.1 0.6 0.6 volume=1.325 peak=366 ppm1=3.603 ppm2=0.813 assign ( resid 102 and name HA ) ( resid 101 and name HA ) 3.3 0.7 1.7 volume=0.884 peak=238 ppm1=4.010 ppm2=4.207 assign ( resid 77 and name HB ) ( resid 77 and name HA ) 3.0 0.6 0.6 volume=1.420 peak=272 ppm1=2.215 ppm2=3.929 assign ( resid 52 and name HA ) ( resid 52 and name HB1 ) 3.3 0.7 0.7 volume=0.809 peak=337 ppm1=4.610 ppm2=2.718 assign ( resid 69 and name HG1 ) ( resid 70 and name HN ) 3.8 0.8 0.8 volume=0.334 peak=200 ppm1=0.311 ppm2=8.599 assign ( resid 18 and name HA ) ( resid 20 and name HB2 ) 3.8 0.8 2.8 volume=0.340 peak=82 ppm1=3.797 ppm2=2.133 assign ( resid 16 and name HD2 ) ( resid 30 and name HB1 ) 3.5 0.7 0.7 volume=0.580 peak=2 ppm1=1.753 ppm2=2.714 assign ( resid 89 and name HA ) ( resid 89 and name HB2 ) 3.3 0.7 0.7 volume=0.791 peak=367 ppm1=3.907 ppm2=1.227 assign ( resid 117 and name HA ) ( resid 117 and name HB2 ) 2.9 0.6 0.6 volume=1.957 peak=407 ppm1=4.573 ppm2=2.686 assign ( resid 97 and name HA ) ( resid 99 and name HA ) 3.7 0.7 2.7 volume=0.408 peak=515 ppm1=4.320 ppm2=3.410 assign ( resid 87 and name HA ) ( resid 87 and name HB2 ) 3.5 0.7 0.7 volume=0.583 peak=150 ppm1=3.223 ppm2=0.760 assign ( resid 51 and name HG11 ) ( resid 51 and name HB ) 3.9 1.8 0.8 volume=0.290 peak=543 ppm1=1.269 ppm2=1.986 assign ( resid 86 and name HA ) ( resid 86 and name HD1# ) 4.0 0.8 0.8 volume=0.841 peak=213 ppm1=3.457 ppm2=0.810 assign ( resid 59 and name HB ) ( resid 59 and name HN ) 3.7 1.7 0.7 volume=0.442 peak=457 ppm1=1.475 ppm2=7.815 assign ( resid 31 and name HD1# ) ( resid 31 and name HA ) 3.7 0.7 0.7 volume=1.250 peak=88 ppm1=0.557 ppm2=3.492 assign ( resid 48 and name HB2 ) ( resid 48 and name HN ) 2.9 0.6 0.6 volume=1.692 peak=148 ppm1=2.108 ppm2=7.702 assign ( resid 59 and name HB ) ( resid 60 and name HN ) 3.7 0.7 0.7 volume=0.422 peak=269 ppm1=1.481 ppm2=7.552 assign ( resid 38 and name HG1# ) ( resid 43 and name HB1 ) 4.1 0.8 1.8 volume=0.680 peak=236 ppm1=0.509 ppm2=2.503 assign ( resid 86 and name HG11 ) ( resid 86 and name HB ) 3.1 0.6 0.6 volume=1.213 peak=551 ppm1=1.414 ppm2=1.954 assign ( resid 88 and name HG1 ) ( resid 87 and name HN ) 3.5 0.7 0.7 volume=0.539 peak=441 ppm1=2.267 ppm2=7.917 assign ( resid 86 and name HB ) ( resid 86 and name HD1# ) 4.8 3.0 1.0 volume=0.255 peak=355 ppm1=1.980 ppm2=0.836 assign ( resid 15 and name HB1 ) ( resid 15 and name HG ) 3.2 0.6 0.6 volume=0.944 peak=149 ppm1=1.886 ppm2=0.739 assign ( resid 54 and name HA ) ( resid 54 and name HN ) 3.2 0.6 0.6 volume=1.082 peak=23 ppm1=4.118 ppm2=8.140 assign ( resid 21 and name HB ) ( resid 21 and name HG2# ) 3.6 1.7 0.7 volume=1.581 peak=306 ppm1=4.221 ppm2=1.353 assign ( resid 85 and name HA ) ( resid 85 and name HD2# ) 3.7 0.7 0.7 volume=1.225 peak=284 ppm1=4.052 ppm2=0.797 assign ( resid 35 and name HA ) ( resid 36 and name HN ) 4.7 0.9 0.9 volume=0.094 peak=439 ppm1=3.773 ppm2=8.380 assign ( resid 84 and name HB2 ) ( resid 85 and name HN ) 3.4 0.7 0.7 volume=0.759 peak=414 ppm1=2.909 ppm2=7.711 assign ( resid 18 and name HB# ) ( resid 18 and name HA ) 3.2 0.6 0.6 volume=2.734 peak=416 ppm1=1.343 ppm2=3.773 assign ( resid 16 and name HD2 ) ( resid 30 and name HB1 ) 3.5 0.7 1.7 volume=0.630 peak=196 ppm1=1.712 ppm2=2.662 assign ( resid 5 and name HA ) ( resid 7 and name HN ) 3.9 0.8 0.8 volume=0.296 peak=179 ppm1=3.706 ppm2=8.724 assign ( resid 86 and name HG2# ) ( resid 88 and name HG1 ) 5.3 1.1 1.1 volume=0.142 peak=304 ppm1=-0.497 ppm2=2.240 assign ( resid 89 and name HG ) ( resid 89 and name HB2 ) 3.2 0.6 0.6 volume=0.914 peak=401 ppm1=0.634 ppm2=1.241 assign ( resid 110 and name HG ) ( resid 109 and name HD1# ) 3.6 0.7 0.7 volume=1.562 peak=522 ppm1=1.471 ppm2=0.786 assign ( resid 109 and name HB ) ( resid 109 and name HN ) 4.1 0.8 0.8 volume=0.223 peak=95 ppm1=1.807 ppm2=8.115 assign ( resid 102 and name HA ) ( resid 102 and name HB# ) 3.6 1.7 0.7 volume=1.425 peak=56 ppm1=4.003 ppm2=1.306 assign ( resid 53 and name HA ) ( resid 53 and name HB ) 3.2 0.6 0.6 volume=0.912 peak=291 ppm1=4.142 ppm2=1.938 assign ( resid 80 and name HB1 ) ( resid 80 and name HA ) 3.4 0.7 0.7 volume=0.709 peak=194 ppm1=2.978 ppm2=4.461 assign ( resid 31 and name HA ) ( resid 34 and name HN ) 3.9 0.8 0.8 volume=0.327 peak=406 ppm1=3.485 ppm2=7.801 assign ( resid 24 and name HA ) ( resid 25 and name HN ) 2.9 0.6 0.6 volume=1.684 peak=365 ppm1=4.040 ppm2=8.653 assign ( resid 109 and name HA ) ( resid 109 and name HG2# ) 3.4 0.7 0.7 volume=2.009 peak=240 ppm1=4.040 ppm2=0.839 assign ( resid 85 and name HG ) ( resid 19 and name HD2# ) 3.7 0.7 0.7 volume=1.166 peak=379 ppm1=1.752 ppm2=0.638 assign ( resid 99 and name HA ) ( resid 98 and name HN ) 4.4 0.9 0.9 volume=0.147 peak=98 ppm1=3.451 ppm2=8.319 assign ( resid 109 and name HA ) ( resid 109 and name HG11 ) 3.4 0.7 0.7 volume=0.673 peak=317 ppm1=4.051 ppm2=1.120 assign ( resid 113 and name HB2 ) ( resid 113 and name HN ) 3.4 0.7 0.7 volume=0.689 peak=243 ppm1=2.736 ppm2=7.956 assign ( resid 101 and name HB# ) ( resid 99 and name HN ) 3.2 0.6 1.6 volume=2.761 peak=335 ppm1=1.409 ppm2=7.897 assign ( resid 38 and name HB ) ( resid 39 and name HN ) 3.7 0.7 0.7 volume=0.420 peak=556 ppm1=2.291 ppm2=7.565 assign ( resid 90 and name HA ) ( resid 90 and name HB ) 3.6 0.7 0.7 volume=0.471 peak=316 ppm1=3.354 ppm2=1.626 assign ( resid 65 and name HB1 ) ( resid 64 and name HA ) 3.6 0.7 1.9 volume=0.508 peak=409 ppm1=2.791 ppm2=3.925 assign ( resid 72 and name HB1 ) ( resid 73 and name HN ) 4.6 0.9 0.9 volume=0.109 peak=266 ppm1=2.483 ppm2=8.588 assign ( resid 67 and name HB2 ) ( resid 68 and name HA ) 3.8 0.8 1.8 volume=0.381 peak=460 ppm1=3.254 ppm2=4.377 assign ( resid 32 and name HA ) ( resid 33 and name HN ) 3.9 0.8 0.8 volume=0.299 peak=220 ppm1=3.605 ppm2=7.136 assign ( resid 21 and name HG2# ) ( resid 21 and name HN ) 3.6 1.7 0.7 volume=1.488 peak=62 ppm1=1.357 ppm2=7.839 assign ( resid 123 and name HA ) ( resid 123 and name HB2 ) 2.5 0.5 0.5 volume=3.918 peak=276 ppm1=4.594 ppm2=3.116 assign ( resid 101 and name HB# ) ( resid 101 and name HA ) 3.0 0.6 0.6 volume=4.404 peak=39 ppm1=1.410 ppm2=4.211 assign ( resid 16 and name HB2 ) ( resid 17 and name HA ) 3.1 0.6 2.6 volume=1.214 peak=521 ppm1=1.763 ppm2=3.864 assign ( resid 50 and name HB ) ( resid 48 and name HB2 ) 4.4 0.9 0.9 volume=0.142 peak=121 ppm1=3.498 ppm2=2.183 assign ( resid 16 and name HA ) ( resid 24 and name HG1# ) 4.3 0.9 0.9 volume=0.510 peak=73 ppm1=3.735 ppm2=0.961 assign ( resid 98 and name HA ) ( resid 99 and name HN ) 3.1 0.6 0.6 volume=1.243 peak=188 ppm1=3.958 ppm2=7.877 assign ( resid 14 and name HA ) ( resid 13 and name HN ) 4.4 0.9 0.9 volume=0.153 peak=145 ppm1=3.669 ppm2=8.365 assign ( resid 90 and name HG12 ) ( resid 90 and name HG2# ) 4.0 1.8 0.8 volume=0.804 peak=166 ppm1=1.616 ppm2=0.603 assign ( resid 15 and name HD1# ) ( resid 15 and name HG ) 3.2 0.6 0.6 volume=2.975 peak=277 ppm1=0.341 ppm2=0.708 assign ( resid 59 and name HA ) ( resid 59 and name HG1# ) 4.1 0.8 0.8 volume=0.637 peak=235 ppm1=3.671 ppm2=-0.417 assign ( resid 19 and name HD2# ) ( resid 18 and name HB# ) 4.3 0.9 0.9 volume=1.560 peak=368 ppm1=0.633 ppm2=1.393 assign ( resid 118 and name HG ) ( resid 118 and name HB2 ) 2.7 0.5 0.5 volume=2.846 peak=86 ppm1=0.848 ppm2=1.562 assign ( resid 50 and name HA ) ( resid 50 and name HG2# ) 3.8 0.8 0.8 volume=1.014 peak=180 ppm1=4.247 ppm2=1.108 assign ( resid 86 and name HB ) ( resid 89 and name HB2 ) 3.3 0.7 2.7 volume=0.818 peak=168 ppm1=1.985 ppm2=1.282 assign ( resid 78 and name HB ) ( resid 78 and name HG2# ) 3.7 2.7 0.7 volume=1.275 peak=181 ppm1=3.875 ppm2=1.125 assign ( resid 74 and name HB1 ) ( resid 74 and name HG1 ) 3.2 0.6 0.6 volume=0.939 peak=113 ppm1=1.610 ppm2=1.300 assign ( resid 59 and name HA ) ( resid 59 and name HG2# ) 4.0 2.8 0.8 volume=0.737 peak=443 ppm1=3.671 ppm2=0.445 assign ( resid 39 and name HA ) ( resid 39 and name HD1 ) 3.2 0.6 1.8 volume=0.948 peak=226 ppm1=3.471 ppm2=1.614 assign ( resid 86 and name HG2# ) ( resid 86 and name HN ) 4.3 0.9 0.9 volume=0.535 peak=528 ppm1=-0.496 ppm2=7.923 assign ( resid 69 and name HG1 ) ( resid 70 and name HA ) 3.4 0.7 1.7 volume=0.750 peak=173 ppm1=0.309 ppm2=4.670 assign ( resid 86 and name HA ) ( resid 85 and name HG ) 3.6 0.7 0.7 volume=0.459 peak=419 ppm1=3.465 ppm2=1.748 assign ( resid 76 and name HD2 ) ( resid 75 and name HA ) 3.4 0.7 0.7 volume=0.648 peak=475 ppm1=2.717 ppm2=4.426 assign ( resid 31 and name HD1# ) ( resid 16 and name HD2 ) 4.3 0.9 0.9 volume=0.492 peak=360 ppm1=0.560 ppm2=1.753 assign ( resid 19 and name HB1 ) ( resid 19 and name HA ) 3.5 0.7 0.7 volume=0.588 peak=76 ppm1=1.702 ppm2=3.696 assign ( resid 19 and name HG ) ( resid 19 and name HA ) 3.0 0.6 0.6 volume=1.394 peak=303 ppm1=0.740 ppm2=3.760 assign ( resid 69 and name HA ) ( resid 70 and name HA ) 3.7 0.7 0.7 volume=0.439 peak=9 ppm1=3.874 ppm2=4.688 assign ( resid 75 and name HA ) ( resid 75 and name HG2# ) 4.6 2.9 0.9 volume=0.353 peak=465 ppm1=4.388 ppm2=0.490 assign ( resid 37 and name HN ) ( resid 38 and name HA ) 3.6 0.7 1.7 volume=0.528 peak=30 ppm1=7.865 ppm2=3.158 assign ( resid 56 and name HN ) ( resid 56 and name HB2 ) 3.4 1.7 0.7 volume=0.731 peak=60 ppm1=8.915 ppm2=3.288 assign ( resid 70 and name HN ) ( resid 71 and name HN ) 3.8 1.8 0.8 volume=0.385 peak=11 ppm1=8.582 ppm2=7.902 assign ( resid 23 and name HN ) ( resid 22 and name HN ) 3.3 0.7 0.7 volume=0.829 peak=52 ppm1=7.882 ppm2=7.323 assign ( resid 63 and name HN ) ( resid 64 and name HB2 ) 2.8 0.6 2.6 volume=2.422 peak=66 ppm1=8.511 ppm2=1.998 assign ( resid 56 and name HN ) ( resid 55 and name HA ) 3.6 0.7 0.7 volume=0.495 peak=26 ppm1=8.938 ppm2=4.424 assign ( resid 27 and name HN ) ( resid 26 and name HA ) 3.1 0.6 0.6 volume=1.292 peak=20 ppm1=8.601 ppm2=4.139 assign ( resid 114 and name HN ) ( resid 114 and name HB1 ) 3.3 0.7 0.7 volume=0.788 peak=35 ppm1=7.955 ppm2=3.884 assign ( resid 44 and name HN ) ( resid 43 and name HA ) 3.9 0.8 0.8 volume=0.312 peak=51 ppm1=6.617 ppm2=4.299 assign ( resid 20 and name HN ) ( resid 19 and name HB1 ) 2.9 0.6 0.6 volume=1.888 peak=15 ppm1=8.350 ppm2=1.719 assign ( resid 78 and name HN ) ( resid 78 and name HG2# ) 4.2 2.8 0.8 volume=0.612 peak=37 ppm1=7.384 ppm2=1.069 assign ( resid 56 and name HN ) ( resid 55 and name HB2 ) 3.8 0.8 0.8 volume=0.383 peak=31 ppm1=8.936 ppm2=2.813 assign ( resid 22 and name HN ) ( resid 22 and name HB1 ) 3.5 0.7 0.7 volume=0.603 peak=67 ppm1=7.340 ppm2=2.164 assign ( resid 53 and name HN ) ( resid 54 and name HN ) 3.3 0.7 0.7 volume=0.787 peak=42 ppm1=8.822 ppm2=8.114 assign ( resid 52 and name HN ) ( resid 51 and name HD1# ) 4.5 0.9 0.9 volume=0.394 peak=10 ppm1=7.161 ppm2=0.565 assign ( resid 34 and name HN ) ( resid 33 and name HB2 ) 3.6 0.7 0.7 volume=0.514 peak=46 ppm1=7.749 ppm2=1.926 assign ( resid 34 and name HN ) ( resid 34 and name HB2 ) 3.4 1.7 0.7 volume=0.687 peak=1 ppm1=7.739 ppm2=3.151 assign ( resid 10 and name HN ) ( resid 9 and name HA ) 3.8 0.8 0.8 volume=0.378 peak=32 ppm1=8.910 ppm2=4.032 assign ( resid 10 and name HN ) ( resid 9 and name HB2 ) 3.4 0.7 0.7 volume=0.712 peak=71 ppm1=8.917 ppm2=1.969 assign ( resid 53 and name HN ) ( resid 53 and name HB ) 4.0 1.8 0.8 volume=0.271 peak=68 ppm1=8.809 ppm2=1.933 assign ( resid 56 and name HN ) ( resid 55 and name HN ) 3.3 0.7 0.7 volume=0.879 peak=14 ppm1=8.928 ppm2=9.188 assign ( resid 63 and name HN ) ( resid 64 and name HB1 ) 3.2 0.6 1.6 volume=0.930 peak=33 ppm1=8.525 ppm2=2.275 assign ( resid 73 and name HN ) ( resid 74 and name HD1 ) 3.2 0.6 0.6 volume=1.055 peak=34 ppm1=8.586 ppm2=1.966 assign ( resid 47 and name HN ) ( resid 46 and name HG1 ) 3.0 0.6 1.6 volume=1.444 peak=4 ppm1=6.535 ppm2=2.059 assign ( resid 7 and name HN ) ( resid 6 and name HA ) 3.5 0.7 1.7 volume=0.552 peak=50 ppm1=8.714 ppm2=4.132 assign ( resid 63 and name HN ) ( resid 63 and name HA ) 3.6 2.7 0.7 volume=0.531 peak=16 ppm1=8.537 ppm2=4.134 assign ( resid 60 and name HN ) ( resid 62 and name HN ) 3.6 0.7 0.7 volume=0.463 peak=61 ppm1=7.515 ppm2=7.921 assign ( resid 30 and name HN ) ( resid 30 and name HB1 ) 3.1 0.6 0.6 volume=1.144 peak=8 ppm1=6.891 ppm2=2.701 assign ( resid 68 and name HN ) ( resid 68 and name HB1 ) 3.7 1.7 0.7 volume=0.401 peak=62 ppm1=8.791 ppm2=3.060 assign ( resid 86 and name HN ) ( resid 85 and name HG ) 3.4 0.7 0.7 volume=0.689 peak=13 ppm1=7.964 ppm2=1.825 assign ( resid 98 and name HN ) ( resid 98 and name HA ) 3.6 0.7 0.7 volume=0.535 peak=55 ppm1=8.362 ppm2=3.971 assign ( resid 30 and name HN ) ( resid 31 and name HN ) 3.3 0.7 0.7 volume=0.804 peak=53 ppm1=6.899 ppm2=7.540 assign ( resid 49 and name HN ) ( resid 50 and name HN ) 3.5 0.7 0.7 volume=0.627 peak=36 ppm1=7.276 ppm2=7.603 assign ( resid 71 and name HN ) ( resid 70 and name HN ) 3.4 0.7 0.7 volume=0.651 peak=59 ppm1=7.867 ppm2=8.515 assign ( resid 55 and name HN ) ( resid 53 and name HB ) 3.7 0.7 1.7 volume=0.407 peak=56 ppm1=9.175 ppm2=2.023 assign ( resid 73 and name HN ) ( resid 74 and name HN ) 3.7 1.7 0.7 volume=0.412 peak=41 ppm1=8.583 ppm2=7.464 assign ( resid 57 and name HN ) ( resid 57 and name HB2 ) 3.4 0.7 0.7 volume=0.742 peak=48 ppm1=9.132 ppm2=2.172 assign ( resid 25 and name HN ) ( resid 24 and name HA ) 3.3 0.7 0.7 volume=0.785 peak=21 ppm1=8.680 ppm2=3.978 assign ( resid 23 and name HN ) ( resid 23 and name HA2 ) 3.2 0.6 0.6 volume=1.092 peak=7 ppm1=7.881 ppm2=3.820 assign ( resid 30 and name HN ) ( resid 29 and name HB# ) 4.4 2.9 0.9 volume=0.467 peak=22 ppm1=6.888 ppm2=1.221 assign ( resid 78 and name HN ) ( resid 78 and name HB ) 3.7 0.7 0.7 volume=0.436 peak=47 ppm1=7.385 ppm2=3.912 assign ( resid 103 and name HN ) ( resid 103 and name HG2# ) 4.0 1.8 0.8 volume=0.748 peak=39 ppm1=8.836 ppm2=0.812 assign ( resid 49 and name HN ) ( resid 50 and name HB ) 3.7 0.7 0.7 volume=0.417 peak=23 ppm1=7.277 ppm2=3.527 assign ( resid 68 and name HN ) ( resid 67 and name HB2 ) 3.9 0.8 0.8 volume=0.300 peak=69 ppm1=8.791 ppm2=3.391 assign ( resid 118 and name HN ) ( resid 118 and name HA ) 2.4 0.5 0.5 volume=5.506 peak=40 ppm1=8.088 ppm2=4.184 assign ( resid 71 and name HN ) ( resid 71 and name HA2 ) 3.5 0.7 0.7 volume=0.571 peak=49 ppm1=7.863 ppm2=3.502 assign ( resid 6 and name HN ) ( resid 7 and name HA ) 3.3 0.7 2.7 volume=0.885 peak=43 ppm1=8.218 ppm2=4.026 assign ( resid 49 and name HN ) ( resid 48 and name HB2 ) 3.9 0.8 0.8 volume=0.329 peak=5 ppm1=7.291 ppm2=2.111 assign ( resid 74 and name HN ) ( resid 73 and name HB1 ) 2.9 0.6 0.6 volume=1.739 peak=9 ppm1=7.498 ppm2=1.990 assign ( resid 114 and name HN ) ( resid 113 and name HA ) 2.9 0.6 0.6 volume=1.895 peak=2 ppm1=7.957 ppm2=4.675 assign ( resid 27 and name HN ) ( resid 26 and name HB ) 3.2 0.6 1.6 volume=1.062 peak=24 ppm1=8.607 ppm2=1.725 assign ( resid 24 and name HN ) ( resid 24 and name HG1# ) 4.5 0.9 0.9 volume=0.394 peak=54 ppm1=7.418 ppm2=0.838 assign ( resid 98 and name HN ) ( resid 99 and name HN ) 3.4 0.7 0.7 volume=0.727 peak=64 ppm1=8.391 ppm2=7.819 assign ( resid 48 and name HN ) ( resid 47 and name HB1 ) 3.4 0.7 0.7 volume=0.686 peak=6 ppm1=7.703 ppm2=2.108 assign ( resid 53 and name HN ) ( resid 52 and name HA ) 3.8 1.8 0.8 volume=0.376 peak=17 ppm1=8.756 ppm2=4.631 assign ( resid 7 and name HN ) ( resid 7 and name HB2 ) 2.9 0.6 0.6 volume=1.642 peak=58 ppm1=8.707 ppm2=1.994 assign ( resid 27 and name HN ) ( resid 26 and name HG1# ) 4.5 0.9 0.9 volume=0.393 peak=19 ppm1=8.600 ppm2=0.726 assign ( resid 67 and name HN ) ( resid 66 and name HB1 ) 3.7 0.7 0.7 volume=0.426 peak=65 ppm1=9.073 ppm2=3.215 assign ( resid 48 and name HN ) ( resid 48 and name HA ) 4.0 0.8 0.8 volume=0.282 peak=12 ppm1=7.705 ppm2=4.068 assign ( resid 31 and name HN ) ( resid 30 and name HB1 ) 3.3 0.7 0.7 volume=0.858 peak=3 ppm1=7.501 ppm2=2.664 assign ( resid 116 and name HN ) ( resid 116 and name HA ) 2.9 0.6 0.6 volume=1.668 peak=45 ppm1=8.058 ppm2=4.264 assign ( resid 24 and name HN ) ( resid 23 and name HA2 ) 3.9 0.8 0.8 volume=0.317 peak=44 ppm1=7.426 ppm2=3.849 assign ( resid 63 and name HN ) ( resid 64 and name HA ) 3.2 0.6 2.6 volume=0.952 peak=38 ppm1=8.523 ppm2=3.881 assign ( resid 30 and name HN ) ( resid 30 and name HA ) 3.8 0.8 0.8 volume=0.382 peak=18 ppm1=6.897 ppm2=4.359 assign ( resid 74 and name HN ) ( resid 74 and name HB1 ) 3.2 0.6 0.6 volume=0.920 peak=29 ppm1=7.483 ppm2=1.596 assign ( resid 69 and name HN ) ( resid 69 and name HA ) 2.5 0.5 0.5 volume=4.829 peak=28 ppm1=7.979 ppm2=3.931 assign ( resid 47 and name HN ) ( resid 47 and name HA ) 3.6 0.7 0.7 volume=0.490 peak=27 ppm1=6.541 ppm2=3.935 assign ( resid 24 and name HN ) ( resid 24 and name HB ) 3.8 2.8 0.8 volume=0.339 peak=63 ppm1=7.402 ppm2=1.965 assign ( resid 52 and name HN ) ( resid 53 and name HA ) 3.2 0.6 2.6 volume=1.012 peak=57 ppm1=7.173 ppm2=4.103
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