NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10663 | 1q38 | cing | 1-original | 7 | XPLOR/CNS | peak |
REMARK using 0.150E+00 seconds mixing time REMARK vweak < 4.2 , upper limit 6.0 REMARK weak < 3.6 , upper limit 5.0 REMARK medium < 3.0 , upper limit 3.6 REMARK strong < 2.5 , upper limit 2.7 REMARK dnoe: 2.647998 position 8.379026 4.369029 ASSI { 1 } ( attr rmsd >= 4.329029 and attr rmsd <= 4.409029 ) (( attr rmsd >= 8.339026 and attr rmsd <= 8.419026 ) and bondedto ( attr rmsd >= 121.2454 and attr rmsd <= 122.0454 )) 3.0 3.0 0.5999999 peak 1 ppm1 4.369029 ppm2 8.379026 volume 47800000 weight 1.0 REMARK dnoe: 3.367513 position 8.380761 2.284851 ASSI { 2 } ( attr rmsd >= 2.244851 and attr rmsd <= 2.324851 ) (( attr rmsd >= 8.340761 and attr rmsd <= 8.420761 ) and bondedto ( attr rmsd >= 121.1763 and attr rmsd <= 121.9763 )) 3.6 3.6 1.4 peak 2 ppm1 2.284851 ppm2 8.380761 volume 11300000 weight 1.0 REMARK dnoe: 3.419921 position 8.382496 2.047096 ASSI { 3 } ( attr rmsd >= 2.007096 and attr rmsd <= 2.087096 ) (( attr rmsd >= 8.342496 and attr rmsd <= 8.422496 ) and bondedto ( attr rmsd >= 121.2439 and attr rmsd <= 122.0439 )) 3.6 3.6 1.4 peak 3 ppm1 2.047096 ppm2 8.382496 volume 10300000 weight 1.0 REMARK dnoe: 2.96002 position 8.380761 1.816774 ASSI { 4 } ( attr rmsd >= 1.776774 and attr rmsd <= 1.856774 ) (( attr rmsd >= 8.340761 and attr rmsd <= 8.420761 ) and bondedto ( attr rmsd >= 121.2067 and attr rmsd <= 122.0067 )) 3.0 3.0 0.5999999 peak 4 ppm1 1.816774 ppm2 8.380761 volume 24500000 weight 1.0 REMARK dnoe: 3.463892 position 7.964791 4.001085 ASSI { 5 } ( attr rmsd >= 3.961085 and attr rmsd <= 4.041085 ) (( attr rmsd >= 7.924791 and attr rmsd <= 8.004791 ) and bondedto ( attr rmsd >= 122.4423 and attr rmsd <= 123.2423 )) 3.6 3.6 1.4 peak 5 ppm1 4.001085 ppm2 7.964791 volume 9540000 weight 1.0 REMARK dnoe: 3.26512 position 7.967405 3.022356 ASSI { 6 } ( attr rmsd >= 2.982356 and attr rmsd <= 3.062356 ) (( attr rmsd >= 7.927405 and attr rmsd <= 8.007405 ) and bondedto ( attr rmsd >= 122.4623 and attr rmsd <= 123.2623 )) 3.6 3.6 1.4 peak 6 ppm1 3.022356 ppm2 7.967405 volume 13600001 weight 1.0 REMARK dnoe: 2.927108 position 7.967405 1.644876 ASSI { 7 } ( attr rmsd >= 1.604876 and attr rmsd <= 1.684876 ) (( attr rmsd >= 7.927405 and attr rmsd <= 8.007405 ) and bondedto ( attr rmsd >= 122.4822 and attr rmsd <= 123.2822 )) 3.0 3.0 0.5999999 peak 7 ppm1 1.644876 ppm2 7.967405 volume 26200000 weight 1.0 REMARK dnoe: 3.302593 position 7.970018 1.296884 ASSI { 8 } ( attr rmsd >= 1.256884 and attr rmsd <= 1.336884 ) (( attr rmsd >= 7.930018 and attr rmsd <= 8.010018 ) and bondedto ( attr rmsd >= 122.4623 and attr rmsd <= 123.2623 )) 3.6 3.6 1.4 peak 8 ppm1 1.296884 ppm2 7.970018 volume 12700000 weight 1.0 REMARK dnoe: 3.382649 position 7.970018 0.9851382 ASSI { 9 } ( attr rmsd >= 0.9451382 and attr rmsd <= 1.025138 ) (( attr rmsd >= 7.930018 and attr rmsd <= 8.010018 ) and bondedto ( attr rmsd >= 122.4822 and attr rmsd <= 123.2822 )) 3.6 3.6 1.4 peak 9 ppm1 0.9851382 ppm2 7.970018 volume 11000000 weight 1.0 REMARK dnoe: 3.567035 position 7.970018 0.6661468 ASSI { 10 } ( attr rmsd >= 0.6261468 and attr rmsd <= 0.7061468 ) (( attr rmsd >= 7.930018 and attr rmsd <= 8.010018 ) and bondedto ( attr rmsd >= 122.582 and attr rmsd <= 123.382 )) 3.6 3.6 1.4 peak 10 ppm1 0.6661468 ppm2 7.970018 volume 8000000 weight 1.0 REMARK dnoe: 3.598449 position 7.964791 0.3544006 ASSI { 11 } ( attr rmsd >= 0.3144006 and attr rmsd <= 0.3944006 ) (( attr rmsd >= 7.924791 and attr rmsd <= 8.004791 ) and bondedto ( attr rmsd >= 122.4623 and attr rmsd <= 123.2623 )) 3.6 3.6 1.4 peak 11 ppm1 0.3544006 ppm2 7.964791 volume 7590000 weight 1.0 REMARK dnoe: 3.223068 position 8.554347 7.718151 ASSI { 12 } ( attr rmsd >= 7.678151 and attr rmsd <= 7.758151 ) (( attr rmsd >= 8.514347 and attr rmsd <= 8.594347 ) and bondedto ( attr rmsd >= 121.5236 and attr rmsd <= 122.3236 )) 3.6 3.6 1.4 peak 12 ppm1 7.718151 ppm2 8.554347 volume 14700000 weight 1.0 REMARK dnoe: 3.184536 position 8.554358 4.328211 ASSI { 13 } ( attr rmsd >= 4.288211 and attr rmsd <= 4.368211 ) (( attr rmsd >= 8.514358 and attr rmsd <= 8.594357 ) and bondedto ( attr rmsd >= 121.4929 and attr rmsd <= 122.2929 )) 3.6 3.6 1.4 peak 13 ppm1 4.328211 ppm2 8.554358 volume 15800001 weight 1.0 REMARK dnoe: 2.834117 position 8.552073 3.991261 ASSI { 14 } ( attr rmsd >= 3.951261 and attr rmsd <= 4.031261 ) (( attr rmsd >= 8.512073 and attr rmsd <= 8.592072 ) and bondedto ( attr rmsd >= 121.4452 and attr rmsd <= 122.2452 )) 3.0 3.0 0.5999999 peak 14 ppm1 3.991261 ppm2 8.552073 volume 31799998 weight 1.0 REMARK dnoe: 3.133748 position 8.549799 3.618371 ASSI { 15 } ( attr rmsd >= 3.578371 and attr rmsd <= 3.658371 ) (( attr rmsd >= 8.509799 and attr rmsd <= 8.589799 ) and bondedto ( attr rmsd >= 121.4519 and attr rmsd <= 122.2519 )) 3.6 3.6 1.4 peak 15 ppm1 3.618371 ppm2 8.549799 volume 17400000 weight 1.0 REMARK dnoe: 3.245531 position 8.554358 1.691016 ASSI { 16 } ( attr rmsd >= 1.651016 and attr rmsd <= 1.731016 ) (( attr rmsd >= 8.514358 and attr rmsd <= 8.594357 ) and bondedto ( attr rmsd >= 121.4413 and attr rmsd <= 122.2413 )) 3.6 3.6 1.4 peak 16 ppm1 1.691016 ppm2 8.554358 volume 14100000 weight 1.0 REMARK dnoe: 3.198175 position 8.556633 0.338716 ASSI { 17 } ( attr rmsd >= 0.298716 and attr rmsd <= 0.378716 ) (( attr rmsd >= 8.516633 and attr rmsd <= 8.596633 ) and bondedto ( attr rmsd >= 121.5085 and attr rmsd <= 122.3085 )) 3.6 3.6 1.4 peak 17 ppm1 0.338716 ppm2 8.556633 volume 15400000 weight 1.0 REMARK dnoe: 3.467536 position 8.549799 0.6936479 ASSI { 18 } ( attr rmsd >= 0.6536479 and attr rmsd <= 0.7336479 ) (( attr rmsd >= 8.509799 and attr rmsd <= 8.589799 ) and bondedto ( attr rmsd >= 121.5802 and attr rmsd <= 122.3802 )) 3.6 3.6 1.4 peak 18 ppm1 0.6936479 ppm2 8.549799 volume 9480000 weight 1.0 REMARK dnoe: 2.993526 position 7.697121 8.590769 ASSI { 19 } ( attr rmsd >= 8.550769 and attr rmsd <= 8.630769 ) (( attr rmsd >= 7.657121 and attr rmsd <= 7.737121 ) and bondedto ( attr rmsd >= 119.3664 and attr rmsd <= 120.1664 )) 3.0 3.0 0.5999999 peak 19 ppm1 8.590769 ppm2 7.697121 volume 22900000 weight 1.0 REMARK dnoe: 2.58523 position 7.700942 4.356697 ASSI { 20 } ( attr rmsd >= 4.316697 and attr rmsd <= 4.396697 ) (( attr rmsd >= 7.660942 and attr rmsd <= 7.740942 ) and bondedto ( attr rmsd >= 119.3442 and attr rmsd <= 120.1442 )) 3.0 3.0 0.5999999 peak 20 ppm1 4.356697 ppm2 7.700942 volume 55200000 weight 1.0 REMARK dnoe: 3.531868 position 7.698598 3.962003 ASSI { 21 } ( attr rmsd >= 3.922003 and attr rmsd <= 4.002003 ) (( attr rmsd >= 7.658598 and attr rmsd <= 7.738598 ) and bondedto ( attr rmsd >= 119.3407 and attr rmsd <= 120.1407 )) 3.6 3.6 1.4 peak 21 ppm1 3.962003 ppm2 7.698598 volume 8490000 weight 1.0 REMARK dnoe: 3.006802 position 7.707976 3.613729 ASSI { 22 } ( attr rmsd >= 3.573729 and attr rmsd <= 3.653729 ) (( attr rmsd >= 7.667976 and attr rmsd <= 7.747976 ) and bondedto ( attr rmsd >= 119.3858 and attr rmsd <= 120.1858 )) 3.6 3.6 1.4 peak 22 ppm1 3.613729 ppm2 7.707976 volume 22300000 weight 1.0 REMARK dnoe: 2.874696 position 7.705631 1.724964 ASSI { 23 } ( attr rmsd >= 1.684964 and attr rmsd <= 1.764964 ) (( attr rmsd >= 7.665631 and attr rmsd <= 7.745631 ) and bondedto ( attr rmsd >= 119.4065 and attr rmsd <= 120.2065 )) 3.0 3.0 0.5999999 peak 23 ppm1 1.724964 ppm2 7.705631 volume 29200000 weight 1.0 REMARK dnoe: 2.993526 position 7.703287 1.544275 ASSI { 24 } ( attr rmsd >= 1.504275 and attr rmsd <= 1.584275 ) (( attr rmsd >= 7.663287 and attr rmsd <= 7.743287 ) and bondedto ( attr rmsd >= 119.3067 and attr rmsd <= 120.1067 )) 3.0 3.0 0.5999999 peak 24 ppm1 1.544275 ppm2 7.703287 volume 22900000 weight 1.0 REMARK dnoe: 2.841613 position 7.703287 1.125104 ASSI { 25 } ( attr rmsd >= 1.085104 and attr rmsd <= 1.165104 ) (( attr rmsd >= 7.663287 and attr rmsd <= 7.743287 ) and bondedto ( attr rmsd >= 119.4065 and attr rmsd <= 120.2065 )) 3.0 3.0 0.5999999 peak 25 ppm1 1.125104 ppm2 7.703287 volume 31300000 weight 1.0 REMARK dnoe: 3.15213 position 7.703287 0.6986885 ASSI { 26 } ( attr rmsd >= 0.6586885 and attr rmsd <= 0.7386885 ) (( attr rmsd >= 7.663287 and attr rmsd <= 7.743287 ) and bondedto ( attr rmsd >= 119.3866 and attr rmsd <= 120.1866 )) 3.6 3.6 1.4 peak 26 ppm1 0.6986885 ppm2 7.703287 volume 16800000 weight 1.0 REMARK dnoe: 3.032259 position 7.703287 0.3352928 ASSI { 27 } ( attr rmsd >= 0.2952928 and attr rmsd <= 0.3752928 ) (( attr rmsd >= 7.663287 and attr rmsd <= 7.743287 ) and bondedto ( attr rmsd >= 119.3209 and attr rmsd <= 120.1209 )) 3.6 3.6 1.4 peak 27 ppm1 0.3352928 ppm2 7.703287 volume 21200000 weight 1.0 REMARK dnoe: 3.110358 position 8.615034 6.85484 ASSI { 28 } ( attr rmsd >= 6.81484 and attr rmsd <= 6.89484 ) (( attr rmsd >= 8.575034 and attr rmsd <= 8.655034 ) and bondedto ( attr rmsd >= 117.8359 and attr rmsd <= 118.6359 )) 3.6 3.6 1.4 peak 28 ppm1 6.85484 ppm2 8.615034 volume 18200000 weight 1.0 REMARK dnoe: 3.208678 position 8.607906 9.003094 ASSI { 29 } ( attr rmsd >= 8.963094 and attr rmsd <= 9.043094 ) (( attr rmsd >= 8.567906 and attr rmsd <= 8.647906 ) and bondedto ( attr rmsd >= 117.8685 and attr rmsd <= 118.6685 )) 3.6 3.6 1.4 peak 29 ppm1 9.003094 ppm2 8.607906 volume 15099999 weight 1.0 REMARK dnoe: 3.479881 position 8.615046 5.501556 ASSI { 31 } ( attr rmsd >= 5.461556 and attr rmsd <= 5.541556 ) (( attr rmsd >= 8.575046 and attr rmsd <= 8.655046 ) and bondedto ( attr rmsd >= 117.8896 and attr rmsd <= 118.6896 )) 3.6 3.6 1.4 peak 31 ppm1 5.501556 ppm2 8.615046 volume 9280000 weight 1.0 REMARK dnoe: 2.55026 position 8.615046 4.425977 ASSI { 32 } ( attr rmsd >= 4.385977 and attr rmsd <= 4.465977 ) (( attr rmsd >= 8.575046 and attr rmsd <= 8.655046 ) and bondedto ( attr rmsd >= 117.855 and attr rmsd <= 118.655 )) 3.0 3.0 0.5999999 peak 32 ppm1 4.425977 ppm2 8.615046 volume 59899996 weight 1.0 REMARK dnoe: 2.861775 position 8.612584 2.6659 ASSI { 33 } ( attr rmsd >= 2.6259 and attr rmsd <= 2.7059 ) (( attr rmsd >= 8.572584 and attr rmsd <= 8.652584 ) and bondedto ( attr rmsd >= 117.8361 and attr rmsd <= 118.6361 )) 3.0 3.0 0.5999999 peak 33 ppm1 2.6659 ppm2 8.612584 volume 30000002 weight 1.0 REMARK dnoe: 2.762231 position 8.615046 1.686562 ASSI { 34 } ( attr rmsd >= 1.646562 and attr rmsd <= 1.726562 ) (( attr rmsd >= 8.575046 and attr rmsd <= 8.655046 ) and bondedto ( attr rmsd >= 117.8685 and attr rmsd <= 118.6685 )) 3.0 3.0 0.5999999 peak 34 ppm1 1.686562 ppm2 8.615046 volume 37100000 weight 1.0 REMARK dnoe: 2.763474 position 8.612584 1.58535 ASSI { 35 } ( attr rmsd >= 1.54535 and attr rmsd <= 1.62535 ) (( attr rmsd >= 8.572584 and attr rmsd <= 8.652584 ) and bondedto ( attr rmsd >= 117.8685 and attr rmsd <= 118.6685 )) 3.0 3.0 0.5999999 peak 35 ppm1 1.58535 ppm2 8.612584 volume 37000000 weight 1.0 REMARK dnoe: 3.059306 position 8.615046 1.072071 ASSI { 36 } ( attr rmsd >= 1.032071 and attr rmsd <= 1.112071 ) (( attr rmsd >= 8.575046 and attr rmsd <= 8.655046 ) and bondedto ( attr rmsd >= 117.8218 and attr rmsd <= 118.6218 )) 3.6 3.6 1.4 peak 36 ppm1 1.072071 ppm2 8.615046 volume 20100000 weight 1.0 REMARK dnoe: 3.32934 position 8.617519 0.6956177 ASSI { 37 } ( attr rmsd >= 0.6556177 and attr rmsd <= 0.7356177 ) (( attr rmsd >= 8.577519 and attr rmsd <= 8.657519 ) and bondedto ( attr rmsd >= 117.8504 and attr rmsd <= 118.6504 )) 3.6 3.6 1.4 peak 37 ppm1 0.6956177 ppm2 8.617519 volume 12100000 weight 1.0 REMARK dnoe: 3.523615 position 8.61011 0.2841597 ASSI { 38 } ( attr rmsd >= 0.2441597 and attr rmsd <= 0.3241597 ) (( attr rmsd >= 8.57011 and attr rmsd <= 8.65011 ) and bondedto ( attr rmsd >= 117.8088 and attr rmsd <= 118.6088 )) 3.6 3.6 1.4 peak 38 ppm1 0.2841597 ppm2 8.61011 volume 8610000 weight 1.0 REMARK dnoe: 3.548788 position 8.613944 3.681719 ASSI { 39 } ( attr rmsd >= 3.641719 and attr rmsd <= 3.721719 ) (( attr rmsd >= 8.573944 and attr rmsd <= 8.653944 ) and bondedto ( attr rmsd >= 117.8486 and attr rmsd <= 118.6486 )) 3.6 3.6 1.4 peak 39 ppm1 3.681719 ppm2 8.613944 volume 8250000 weight 1.0 REMARK dnoe: 3.223068 position 9.223698 9.881643 ASSI { 40 } ( attr rmsd >= 9.841643 and attr rmsd <= 9.921643 ) (( attr rmsd >= 9.183698 and attr rmsd <= 9.263698 ) and bondedto ( attr rmsd >= 121.2237 and attr rmsd <= 122.0237 )) 3.6 3.6 1.4 peak 40 ppm1 9.881643 ppm2 9.223698 volume 14700000 weight 1.0 REMARK dnoe: 3.436811 position 9.211531 6.855567 ASSI { 41 } ( attr rmsd >= 6.815567 and attr rmsd <= 6.895567 ) (( attr rmsd >= 9.171531 and attr rmsd <= 9.251531 ) and bondedto ( attr rmsd >= 121.2284 and attr rmsd <= 122.0284 )) 3.6 3.6 1.4 peak 41 ppm1 6.855567 ppm2 9.211531 volume 10000000 weight 1.0 REMARK dnoe: 2.548844 position 9.211366 5.493655 ASSI { 42 } ( attr rmsd >= 5.453655 and attr rmsd <= 5.533655 ) (( attr rmsd >= 9.171366 and attr rmsd <= 9.251366 ) and bondedto ( attr rmsd >= 121.2374 and attr rmsd <= 122.0374 )) 3.0 3.0 0.5999999 peak 42 ppm1 5.493655 ppm2 9.211366 volume 60100000 weight 1.0 REMARK dnoe: 2.843129 position 9.210732 4.749468 ASSI { 43 } ( attr rmsd >= 4.709468 and attr rmsd <= 4.789468 ) (( attr rmsd >= 9.170732 and attr rmsd <= 9.250732 ) and bondedto ( attr rmsd >= 121.2497 and attr rmsd <= 122.0497 )) 3.0 3.0 0.5999999 peak 43 ppm1 4.749468 ppm2 9.210732 volume 31200000 weight 1.0 REMARK dnoe: 2.97021 position 9.213406 2.679287 ASSI { 44 } ( attr rmsd >= 2.639287 and attr rmsd <= 2.719287 ) (( attr rmsd >= 9.173406 and attr rmsd <= 9.253406 ) and bondedto ( attr rmsd >= 121.2345 and attr rmsd <= 122.0345 )) 3.0 3.0 0.5999999 peak 44 ppm1 2.679287 ppm2 9.213406 volume 24000000 weight 1.0 REMARK dnoe: 2.978541 position 9.213406 1.910999 ASSI { 45 } ( attr rmsd >= 1.870999 and attr rmsd <= 1.950999 ) (( attr rmsd >= 9.173406 and attr rmsd <= 9.253406 ) and bondedto ( attr rmsd >= 121.2413 and attr rmsd <= 122.0413 )) 3.0 3.0 0.5999999 peak 45 ppm1 1.910999 ppm2 9.213406 volume 23600000 weight 1.0 REMARK dnoe: 2.801324 position 9.211999 1.651183 ASSI { 46 } ( attr rmsd >= 1.611183 and attr rmsd <= 1.691183 ) (( attr rmsd >= 9.171999 and attr rmsd <= 9.251999 ) and bondedto ( attr rmsd >= 121.238 and attr rmsd <= 122.038 )) 3.0 3.0 0.5999999 peak 46 ppm1 1.651183 ppm2 9.211999 volume 34100000 weight 1.0 REMARK dnoe: 3.054262 position 9.220439 1.355051 ASSI { 47 } ( attr rmsd >= 1.315051 and attr rmsd <= 1.395051 ) (( attr rmsd >= 9.180439 and attr rmsd <= 9.260439 ) and bondedto ( attr rmsd >= 121.2233 and attr rmsd <= 122.0233 )) 3.6 3.6 1.4 peak 47 ppm1 1.355051 ppm2 9.220439 volume 20300000 weight 1.0 REMARK dnoe: 3.018188 position 9.214812 1.042156 ASSI { 48 } ( attr rmsd >= 1.002156 and attr rmsd <= 1.082156 ) (( attr rmsd >= 9.174812 and attr rmsd <= 9.254812 ) and bondedto ( attr rmsd >= 121.2224 and attr rmsd <= 122.0224 )) 3.6 3.6 1.4 peak 48 ppm1 1.042156 ppm2 9.214812 volume 21800000 weight 1.0 REMARK dnoe: 2.650778 position 9.211999 0.6929207 ASSI { 49 } ( attr rmsd >= 0.6529207 and attr rmsd <= 0.7329207 ) (( attr rmsd >= 9.171999 and attr rmsd <= 9.251999 ) and bondedto ( attr rmsd >= 121.2481 and attr rmsd <= 122.0481 )) 3.0 3.0 0.5999999 peak 49 ppm1 0.6929207 ppm2 9.211999 volume 47500000 weight 1.0 REMARK dnoe: 3.758054 position 9.213406 0.2682877 ASSI { 50 } ( attr rmsd >= 0.2282877 and attr rmsd <= 0.3082877 ) (( attr rmsd >= 9.173406 and attr rmsd <= 9.253406 ) and bondedto ( attr rmsd >= 121.1956 and attr rmsd <= 121.9956 )) 4.2 4.2 1.8 peak 50 ppm1 0.2682877 ppm2 9.213406 volume 5850000 weight 1.0 REMARK dnoe: 2.995711 position 9.122932 9.39978 ASSI { 51 } ( attr rmsd >= 9.35978 and attr rmsd <= 9.43978 ) (( attr rmsd >= 9.082932 and attr rmsd <= 9.162932 ) and bondedto ( attr rmsd >= 128.8926 and attr rmsd <= 129.6926 )) 3.0 3.0 0.5999999 peak 51 ppm1 9.39978 ppm2 9.122932 volume 22800000 weight 1.0 REMARK dnoe: 3.315778 position 9.119556 5.440811 ASSI { 52 } ( attr rmsd >= 5.400811 and attr rmsd <= 5.480811 ) (( attr rmsd >= 9.079556 and attr rmsd <= 9.159556 ) and bondedto ( attr rmsd >= 128.9436 and attr rmsd <= 129.7436 )) 3.6 3.6 1.4 peak 52 ppm1 5.440811 ppm2 9.119556 volume 12400000 weight 1.0 REMARK dnoe: 2.516411 position 9.117903 4.743209 ASSI { 53 } ( attr rmsd >= 4.703209 and attr rmsd <= 4.783209 ) (( attr rmsd >= 9.077903 and attr rmsd <= 9.157903 ) and bondedto ( attr rmsd >= 128.9275 and attr rmsd <= 129.7275 )) 3.0 3.0 0.5999999 peak 53 ppm1 4.743209 ppm2 9.117903 volume 64900000 weight 1.0 REMARK dnoe: 2.789187 position 9.119556 1.836444 ASSI { 54 } ( attr rmsd >= 1.796444 and attr rmsd <= 1.876444 ) (( attr rmsd >= 9.079556 and attr rmsd <= 9.159556 ) and bondedto ( attr rmsd >= 128.9733 and attr rmsd <= 129.7733 )) 3.0 3.0 0.5999999 peak 54 ppm1 1.836444 ppm2 9.119556 volume 35000000 weight 1.0 REMARK dnoe: 2.818099 position 9.119556 1.467587 ASSI { 55 } ( attr rmsd >= 1.427587 and attr rmsd <= 1.507587 ) (( attr rmsd >= 9.079556 and attr rmsd <= 9.159556 ) and bondedto ( attr rmsd >= 128.9332 and attr rmsd <= 129.7332 )) 3.0 3.0 0.5999999 peak 55 ppm1 1.467587 ppm2 9.119556 volume 32900000 weight 1.0 REMARK dnoe: 2.676759 position 9.119556 1.068343 ASSI { 56 } ( attr rmsd >= 1.028343 and attr rmsd <= 1.108343 ) (( attr rmsd >= 9.079556 and attr rmsd <= 9.159556 ) and bondedto ( attr rmsd >= 128.9016 and attr rmsd <= 129.7016 )) 3.0 3.0 0.5999999 peak 56 ppm1 1.068343 ppm2 9.119556 volume 44800000 weight 1.0 REMARK dnoe: 2.628214 position 9.121572 0.6939526 ASSI { 57 } ( attr rmsd >= 0.6539526 and attr rmsd <= 0.7339526 ) (( attr rmsd >= 9.081572 and attr rmsd <= 9.161572 ) and bondedto ( attr rmsd >= 128.8834 and attr rmsd <= 129.6834 )) 3.0 3.0 0.5999999 peak 57 ppm1 0.6939526 ppm2 9.121572 volume 50000000 weight 1.0 REMARK dnoe: 3.504215 position 9.115536 0.2598004 ASSI { 58 } ( attr rmsd >= 0.2198004 and attr rmsd <= 0.2998004 ) (( attr rmsd >= 9.075536 and attr rmsd <= 9.155536 ) and bondedto ( attr rmsd >= 128.8942 and attr rmsd <= 129.6942 )) 3.6 3.6 1.4 peak 58 ppm1 0.2598004 ppm2 9.115536 volume 8900000 weight 1.0 REMARK dnoe: 3.273193 position 9.319036 6.112787 ASSI { 59 } ( attr rmsd >= 6.072787 and attr rmsd <= 6.152787 ) (( attr rmsd >= 9.279036 and attr rmsd <= 9.359035 ) and bondedto ( attr rmsd >= 124.2598 and attr rmsd <= 125.0598 )) 3.6 3.6 1.4 peak 59 ppm1 6.112787 ppm2 9.319036 volume 13400000 weight 1.0 REMARK dnoe: 2.673783 position 9.329844 5.426884 ASSI { 60 } ( attr rmsd >= 5.386884 and attr rmsd <= 5.466884 ) (( attr rmsd >= 9.289845 and attr rmsd <= 9.369844 ) and bondedto ( attr rmsd >= 124.2985 and attr rmsd <= 125.0985 )) 3.0 3.0 0.5999999 peak 60 ppm1 5.426884 ppm2 9.329844 volume 45100000 weight 1.0 REMARK dnoe: 2.852345 position 9.333595 1.798159 ASSI { 61 } ( attr rmsd >= 1.758159 and attr rmsd <= 1.838159 ) (( attr rmsd >= 9.293595 and attr rmsd <= 9.373595 ) and bondedto ( attr rmsd >= 124.3131 and attr rmsd <= 125.1131 )) 3.0 3.0 0.5999999 peak 61 ppm1 1.798159 ppm2 9.333595 volume 30600000 weight 1.0 REMARK dnoe: 2.779997 position 9.331181 1.408036 ASSI { 62 } ( attr rmsd >= 1.368036 and attr rmsd <= 1.448036 ) (( attr rmsd >= 9.291181 and attr rmsd <= 9.371181 ) and bondedto ( attr rmsd >= 124.3198 and attr rmsd <= 125.1198 )) 3.0 3.0 0.5999999 peak 62 ppm1 1.408036 ppm2 9.331181 volume 35700000 weight 1.0 REMARK dnoe: 2.853902 position 9.331181 0.9599817 ASSI { 63 } ( attr rmsd >= 0.9199817 and attr rmsd <= 0.9999817 ) (( attr rmsd >= 9.291181 and attr rmsd <= 9.371181 ) and bondedto ( attr rmsd >= 124.3198 and attr rmsd <= 125.1198 )) 3.0 3.0 0.5999999 peak 63 ppm1 0.9599817 ppm2 9.331181 volume 30500000 weight 1.0 REMARK dnoe: 2.962039 position 9.320021 0.6998138 ASSI { 64 } ( attr rmsd >= 0.6598138 and attr rmsd <= 0.7398138 ) (( attr rmsd >= 9.280021 and attr rmsd <= 9.360021 ) and bondedto ( attr rmsd >= 124.3397 and attr rmsd <= 125.1397 )) 3.0 3.0 0.5999999 peak 64 ppm1 0.6998138 ppm2 9.320021 volume 24400000 weight 1.0 REMARK dnoe: 3.520216 position 9.079992 8.442621 ASSI { 65 } ( attr rmsd >= 8.402621 and attr rmsd <= 8.482621 ) (( attr rmsd >= 9.039992 and attr rmsd <= 9.119992 ) and bondedto ( attr rmsd >= 120.5927 and attr rmsd <= 121.3927 )) 3.6 3.6 1.4 peak 65 ppm1 8.442621 ppm2 9.079992 volume 8660000 weight 1.0 REMARK dnoe: 3.082753 position 9.084517 7.221284 ASSI { 66 } ( attr rmsd >= 7.181284 and attr rmsd <= 7.261284 ) (( attr rmsd >= 9.044517 and attr rmsd <= 9.124516 ) and bondedto ( attr rmsd >= 120.5737 and attr rmsd <= 121.3737 )) 3.6 3.6 1.4 peak 66 ppm1 7.221284 ppm2 9.084517 volume 19200000 weight 1.0 REMARK dnoe: 3.763434 position 9.084517 6.854442 ASSI { 67 } ( attr rmsd >= 6.814442 and attr rmsd <= 6.894442 ) (( attr rmsd >= 9.044517 and attr rmsd <= 9.124516 ) and bondedto ( attr rmsd >= 120.6259 and attr rmsd <= 121.4259 )) 4.2 4.2 1.8 peak 67 ppm1 6.854442 ppm2 9.084517 volume 5800000 weight 1.0 REMARK dnoe: 3.431116 position 9.091316 6.581544 ASSI { 68 } ( attr rmsd >= 6.541544 and attr rmsd <= 6.621544 ) (( attr rmsd >= 9.051316 and attr rmsd <= 9.131316 ) and bondedto ( attr rmsd >= 120.5821 and attr rmsd <= 121.3821 )) 3.6 3.6 1.4 peak 68 ppm1 6.581544 ppm2 9.091316 volume 10100000 weight 1.0 REMARK dnoe: 2.894872 position 9.084517 6.134169 ASSI { 69 } ( attr rmsd >= 6.094169 and attr rmsd <= 6.174169 ) (( attr rmsd >= 9.044517 and attr rmsd <= 9.124516 ) and bondedto ( attr rmsd >= 120.578 and attr rmsd <= 121.378 )) 3.0 3.0 0.5999999 peak 69 ppm1 6.134169 ppm2 9.084517 volume 28000000 weight 1.0 REMARK dnoe: 3.50225 position 9.086792 5.619672 ASSI { 70 } ( attr rmsd >= 5.579672 and attr rmsd <= 5.659672 ) (( attr rmsd >= 9.046792 and attr rmsd <= 9.126792 ) and bondedto ( attr rmsd >= 120.5764 and attr rmsd <= 121.3764 )) 3.6 3.6 1.4 peak 70 ppm1 5.619672 ppm2 9.086792 volume 8930000 weight 1.0 REMARK dnoe: 3.056777 position 9.075338 1.747635 ASSI { 71 } ( attr rmsd >= 1.707635 and attr rmsd <= 1.787635 ) (( attr rmsd >= 9.035338 and attr rmsd <= 9.115338 ) and bondedto ( attr rmsd >= 120.5616 and attr rmsd <= 121.3616 )) 3.6 3.6 1.4 peak 71 ppm1 1.747635 ppm2 9.075338 volume 20200000 weight 1.0 REMARK dnoe: 3.223068 position 9.08365 1.348299 ASSI { 72 } ( attr rmsd >= 1.308299 and attr rmsd <= 1.388299 ) (( attr rmsd >= 9.04365 and attr rmsd <= 9.12365 ) and bondedto ( attr rmsd >= 120.5401 and attr rmsd <= 121.3401 )) 3.6 3.6 1.4 peak 72 ppm1 1.348299 ppm2 9.08365 volume 14700000 weight 1.0 REMARK dnoe: 2.966105 position 8.778562 9.059994 ASSI { 73 } ( attr rmsd >= 9.019994 and attr rmsd <= 9.099994 ) (( attr rmsd >= 8.738562 and attr rmsd <= 8.818562 ) and bondedto ( attr rmsd >= 115.4919 and attr rmsd <= 116.2919 )) 3.0 3.0 0.5999999 peak 73 ppm1 9.059994 ppm2 8.778562 volume 24200000 weight 1.0 REMARK dnoe: 3.393009 position 8.778421 7.237273 ASSI { 74 } ( attr rmsd >= 7.197273 and attr rmsd <= 7.277273 ) (( attr rmsd >= 8.738421 and attr rmsd <= 8.818421 ) and bondedto ( attr rmsd >= 115.3721 and attr rmsd <= 116.1721 )) 3.6 3.6 1.4 peak 74 ppm1 7.237273 ppm2 8.778421 volume 10800000 weight 1.0 REMARK dnoe: 2.946155 position 8.776241 6.913711 ASSI { 75 } ( attr rmsd >= 6.873711 and attr rmsd <= 6.953711 ) (( attr rmsd >= 8.736241 and attr rmsd <= 8.816241 ) and bondedto ( attr rmsd >= 115.3921 and attr rmsd <= 116.1921 )) 3.0 3.0 0.5999999 peak 75 ppm1 6.913711 ppm2 8.776241 volume 25200000 weight 1.0 REMARK dnoe: 2.579037 position 8.778399 6.600769 ASSI { 76 } ( attr rmsd >= 6.560769 and attr rmsd <= 6.640769 ) (( attr rmsd >= 8.7384 and attr rmsd <= 8.818399 ) and bondedto ( attr rmsd >= 115.3921 and attr rmsd <= 116.1921 )) 3.0 3.0 0.5999999 peak 76 ppm1 6.600769 ppm2 8.778399 volume 56000000 weight 1.0 REMARK dnoe: 3.553831 position 8.768047 5.891936 ASSI { 77 } ( attr rmsd >= 5.851936 and attr rmsd <= 5.931936 ) (( attr rmsd >= 8.728047 and attr rmsd <= 8.808047 ) and bondedto ( attr rmsd >= 115.4319 and attr rmsd <= 116.2319 )) 3.6 3.6 1.4 peak 77 ppm1 5.891936 ppm2 8.768047 volume 8180000 weight 1.0 REMARK dnoe: 3.3433 position 8.778374 4.981971 ASSI { 79 } ( attr rmsd >= 4.941971 and attr rmsd <= 5.021971 ) (( attr rmsd >= 8.738374 and attr rmsd <= 8.818374 ) and bondedto ( attr rmsd >= 115.3743 and attr rmsd <= 116.1743 )) 3.6 3.6 1.4 peak 79 ppm1 4.981971 ppm2 8.778374 volume 11800000 weight 1.0 REMARK dnoe: 3.965166 position 8.769747 4.418732 ASSI { 80 } ( attr rmsd >= 4.378732 and attr rmsd <= 4.458732 ) (( attr rmsd >= 8.729747 and attr rmsd <= 8.809747 ) and bondedto ( attr rmsd >= 115.3481 and attr rmsd <= 116.1481 )) 4.2 4.2 1.8 peak 80 ppm1 4.418732 ppm2 8.769747 volume 4240000 weight 1.0 REMARK dnoe: 3.056777 position 8.77862 3.598349 ASSI { 81 } ( attr rmsd >= 3.558349 and attr rmsd <= 3.638349 ) (( attr rmsd >= 8.73862 and attr rmsd <= 8.81862 ) and bondedto ( attr rmsd >= 115.3813 and attr rmsd <= 116.1813 )) 3.6 3.6 1.4 peak 81 ppm1 3.598349 ppm2 8.77862 volume 20200000 weight 1.0 REMARK dnoe: 2.962039 position 8.768996 3.246629 ASSI { 82 } ( attr rmsd >= 3.206629 and attr rmsd <= 3.286629 ) (( attr rmsd >= 8.728996 and attr rmsd <= 8.808996 ) and bondedto ( attr rmsd >= 115.3737 and attr rmsd <= 116.1737 )) 3.0 3.0 0.5999999 peak 82 ppm1 3.246629 ppm2 8.768996 volume 24400000 weight 1.0 REMARK dnoe: 3.281406 position 8.766101 1.942228 ASSI { 83 } ( attr rmsd >= 1.902228 and attr rmsd <= 1.982228 ) (( attr rmsd >= 8.726101 and attr rmsd <= 8.806101 ) and bondedto ( attr rmsd >= 115.3905 and attr rmsd <= 116.1905 )) 3.6 3.6 1.4 peak 83 ppm1 1.942228 ppm2 8.766101 volume 13200000 weight 1.0 REMARK dnoe: 3.362571 position 8.768879 1.477902 ASSI { 85 } ( attr rmsd >= 1.437902 and attr rmsd <= 1.517902 ) (( attr rmsd >= 8.728879 and attr rmsd <= 8.808879 ) and bondedto ( attr rmsd >= 115.4319 and attr rmsd <= 116.2319 )) 3.6 3.6 1.4 peak 85 ppm1 1.477902 ppm2 8.768879 volume 11400000 weight 1.0 REMARK dnoe: 3.58983 position 8.768938 1.239069 ASSI { 86 } ( attr rmsd >= 1.199069 and attr rmsd <= 1.279069 ) (( attr rmsd >= 8.728938 and attr rmsd <= 8.808938 ) and bondedto ( attr rmsd >= 115.3721 and attr rmsd <= 116.1721 )) 3.6 3.6 1.4 peak 86 ppm1 1.239069 ppm2 8.768938 volume 7700000 weight 1.0 REMARK dnoe: 3.133748 position 8.768774 0.804847 ASSI { 87 } ( attr rmsd >= 0.764847 and attr rmsd <= 0.844847 ) (( attr rmsd >= 8.728774 and attr rmsd <= 8.808774 ) and bondedto ( attr rmsd >= 115.4719 and attr rmsd <= 116.2719 )) 3.6 3.6 1.4 peak 87 ppm1 0.804847 ppm2 8.768774 volume 17400000 weight 1.0 REMARK dnoe: 3.756984 position 8.777741 0.23312 ASSI { 88 } ( attr rmsd >= 0.19312 and attr rmsd <= 0.27312 ) (( attr rmsd >= 8.737741 and attr rmsd <= 8.817741 ) and bondedto ( attr rmsd >= 115.3921 and attr rmsd <= 116.1921 )) 4.2 4.2 1.8 peak 88 ppm1 0.23312 ppm2 8.777741 volume 5860001 weight 1.0 REMARK dnoe: 3.583651 position 8.779324 3.960221 ASSI { 89 } ( attr rmsd >= 3.920221 and attr rmsd <= 4.000221 ) (( attr rmsd >= 8.739324 and attr rmsd <= 8.819324 ) and bondedto ( attr rmsd >= 115.412 and attr rmsd <= 116.212 )) 3.6 3.6 1.4 peak 89 ppm1 3.960221 ppm2 8.779324 volume 7780000 weight 1.0 REMARK dnoe: 3.145919 position 8.768774 2.144275 ASSI { 90 } ( attr rmsd >= 2.104275 and attr rmsd <= 2.184275 ) (( attr rmsd >= 8.728774 and attr rmsd <= 8.808774 ) and bondedto ( attr rmsd >= 115.3905 and attr rmsd <= 116.1905 )) 3.6 3.6 1.4 peak 90 ppm1 2.144275 ppm2 8.768774 volume 17000000 weight 1.0 REMARK dnoe: 3.568523 position 8.94345 6.601378 ASSI { 91 } ( attr rmsd >= 6.561378 and attr rmsd <= 6.641378 ) (( attr rmsd >= 8.90345 and attr rmsd <= 8.98345 ) and bondedto ( attr rmsd >= 126.2171 and attr rmsd <= 127.0171 )) 3.6 3.6 1.4 peak 91 ppm1 6.601378 ppm2 8.94345 volume 7980000 weight 1.0 REMARK dnoe: 2.769747 position 8.951737 4.416293 ASSI { 92 } ( attr rmsd >= 4.376293 and attr rmsd <= 4.456293 ) (( attr rmsd >= 8.911737 and attr rmsd <= 8.991737 ) and bondedto ( attr rmsd >= 126.2196 and attr rmsd <= 127.0196 )) 3.0 3.0 0.5999999 peak 92 ppm1 4.416293 ppm2 8.951737 volume 36500000 weight 1.0 REMARK dnoe: 2.672797 position 8.949018 3.973373 ASSI { 93 } ( attr rmsd >= 3.933373 and attr rmsd <= 4.013373 ) (( attr rmsd >= 8.909018 and attr rmsd <= 8.989017 ) and bondedto ( attr rmsd >= 126.2569 and attr rmsd <= 127.0569 )) 3.0 3.0 0.5999999 peak 93 ppm1 3.973373 ppm2 8.949018 volume 45200000 weight 1.0 REMARK dnoe: 3.002331 position 8.947143 2.131451 ASSI { 94 } ( attr rmsd >= 2.091451 and attr rmsd <= 2.171451 ) (( attr rmsd >= 8.907143 and attr rmsd <= 8.987143 ) and bondedto ( attr rmsd >= 126.2171 and attr rmsd <= 127.0171 )) 3.6 3.6 1.4 peak 94 ppm1 2.131451 ppm2 8.947143 volume 22500000 weight 1.0 REMARK dnoe: 2.930849 position 8.947143 1.939461 ASSI { 95 } ( attr rmsd >= 1.899461 and attr rmsd <= 1.979461 ) (( attr rmsd >= 8.907143 and attr rmsd <= 8.987143 ) and bondedto ( attr rmsd >= 126.1733 and attr rmsd <= 126.9733 )) 3.0 3.0 0.5999999 peak 95 ppm1 1.939461 ppm2 8.947143 volume 26000000 weight 1.0 REMARK dnoe: 2.62997 position 8.94944 1.510865 ASSI { 96 } ( attr rmsd >= 1.470865 and attr rmsd <= 1.550865 ) (( attr rmsd >= 8.90944 and attr rmsd <= 8.98944 ) and bondedto ( attr rmsd >= 126.2306 and attr rmsd <= 127.0306 )) 3.0 3.0 0.5999999 peak 96 ppm1 1.510865 ppm2 8.94944 volume 49800000 weight 1.0 REMARK dnoe: 2.674773 position 8.951737 1.22662 ASSI { 97 } ( attr rmsd >= 1.18662 and attr rmsd <= 1.26662 ) (( attr rmsd >= 8.911737 and attr rmsd <= 8.991737 ) and bondedto ( attr rmsd >= 126.2177 and attr rmsd <= 127.0177 )) 3.0 3.0 0.5999999 peak 97 ppm1 1.22662 ppm2 8.951737 volume 45000000 weight 1.0 REMARK dnoe: 3.398274 position 8.94944 0.7709689 ASSI { 98 } ( attr rmsd >= 0.7309689 and attr rmsd <= 0.8109689 ) (( attr rmsd >= 8.90944 and attr rmsd <= 8.98944 ) and bondedto ( attr rmsd >= 126.1907 and attr rmsd <= 126.9907 )) 3.6 3.6 1.4 peak 98 ppm1 0.7709689 ppm2 8.94944 volume 10700000 weight 1.0 REMARK dnoe: 3.897679 position 8.947143 0.1116524 ASSI { 99 } ( attr rmsd >= 0.0716524 and attr rmsd <= 0.1516524 ) (( attr rmsd >= 8.907143 and attr rmsd <= 8.987143 ) and bondedto ( attr rmsd >= 126.1771 and attr rmsd <= 126.9771 )) 4.2 4.2 1.8 peak 99 ppm1 0.1116524 ppm2 8.947143 volume 4700000 weight 1.0 REMARK dnoe: 2.81953 position 8.949898 3.815378 ASSI { 100 } ( attr rmsd >= 3.775378 and attr rmsd <= 3.855378 ) (( attr rmsd >= 8.909898 and attr rmsd <= 8.989898 ) and bondedto ( attr rmsd >= 126.2317 and attr rmsd <= 127.0317 )) 3.0 3.0 0.5999999 peak 100 ppm1 3.815378 ppm2 8.949898 volume 32800000 weight 1.0 REMARK dnoe: 2.828219 position 8.745446 4.376085 ASSI { 101 } ( attr rmsd >= 4.336085 and attr rmsd <= 4.416085 ) (( attr rmsd >= 8.705446 and attr rmsd <= 8.785446 ) and bondedto ( attr rmsd >= 118.0724 and attr rmsd <= 118.8724 )) 3.0 3.0 0.5999999 peak 101 ppm1 4.376085 ppm2 8.745446 volume 32200000 weight 1.0 REMARK dnoe: 2.9179 position 8.745446 3.81226 ASSI { 102 } ( attr rmsd >= 3.77226 and attr rmsd <= 3.85226 ) (( attr rmsd >= 8.705446 and attr rmsd <= 8.785446 ) and bondedto ( attr rmsd >= 118.091 and attr rmsd <= 118.891 )) 3.0 3.0 0.5999999 peak 102 ppm1 3.81226 ppm2 8.745446 volume 26699998 weight 1.0 REMARK dnoe: 3.107519 position 8.745446 2.899833 ASSI { 103 } ( attr rmsd >= 2.859833 and attr rmsd <= 2.939833 ) (( attr rmsd >= 8.705446 and attr rmsd <= 8.785446 ) and bondedto ( attr rmsd >= 118.0771 and attr rmsd <= 118.8771 )) 3.6 3.6 1.4 peak 103 ppm1 2.899833 ppm2 8.745446 volume 18300000 weight 1.0 REMARK dnoe: 3.285568 position 8.745446 2.125144 ASSI { 104 } ( attr rmsd >= 2.085144 and attr rmsd <= 2.165144 ) (( attr rmsd >= 8.705446 and attr rmsd <= 8.785446 ) and bondedto ( attr rmsd >= 118.0724 and attr rmsd <= 118.8724 )) 3.6 3.6 1.4 peak 104 ppm1 2.125144 ppm2 8.745446 volume 13100000 weight 1.0 REMARK dnoe: 3.155268 position 8.745446 1.492461 ASSI { 105 } ( attr rmsd >= 1.452461 and attr rmsd <= 1.532461 ) (( attr rmsd >= 8.705446 and attr rmsd <= 8.785446 ) and bondedto ( attr rmsd >= 118.0869 and attr rmsd <= 118.8869 )) 3.6 3.6 1.4 peak 105 ppm1 1.492461 ppm2 8.745446 volume 16700000 weight 1.0 REMARK dnoe: 3.142845 position 8.747626 1.23424 ASSI { 106 } ( attr rmsd >= 1.19424 and attr rmsd <= 1.27424 ) (( attr rmsd >= 8.707626 and attr rmsd <= 8.787626 ) and bondedto ( attr rmsd >= 118.0986 and attr rmsd <= 118.8986 )) 3.6 3.6 1.4 peak 106 ppm1 1.23424 ppm2 8.747626 volume 17100000 weight 1.0 REMARK dnoe: 3.945258 position 7.608757 8.756359 ASSI { 107 } ( attr rmsd >= 8.716359 and attr rmsd <= 8.796359 ) (( attr rmsd >= 7.568757 and attr rmsd <= 7.648757 ) and bondedto ( attr rmsd >= 113.3932 and attr rmsd <= 114.1932 )) 4.2 4.2 1.8 peak 107 ppm1 8.756359 ppm2 7.608757 volume 4370000 weight 1.0 REMARK dnoe: 3.781022 position 8.745657 7.596542 ASSI { 108 } ( attr rmsd >= 7.556542 and attr rmsd <= 7.636542 ) (( attr rmsd >= 8.705657 and attr rmsd <= 8.785657 ) and bondedto ( attr rmsd >= 118.0449 and attr rmsd <= 118.8449 )) 4.2 4.2 1.8 peak 108 ppm1 7.596542 ppm2 8.745657 volume 5640000 weight 1.0 REMARK dnoe: 3.158428 position 7.606987 4.394794 ASSI { 109 } ( attr rmsd >= 4.354794 and attr rmsd <= 4.434794 ) (( attr rmsd >= 7.566987 and attr rmsd <= 7.646987 ) and bondedto ( attr rmsd >= 113.3855 and attr rmsd <= 114.1855 )) 3.6 3.6 1.4 peak 109 ppm1 4.394794 ppm2 7.606987 volume 16599999 weight 1.0 REMARK dnoe: 3.219428 position 7.608886 3.790011 ASSI { 110 } ( attr rmsd >= 3.750011 and attr rmsd <= 3.830011 ) (( attr rmsd >= 7.568886 and attr rmsd <= 7.648886 ) and bondedto ( attr rmsd >= 113.3976 and attr rmsd <= 114.1976 )) 3.6 3.6 1.4 peak 110 ppm1 3.790011 ppm2 7.608886 volume 14800000 weight 1.0 REMARK dnoe: 3.352839 position 7.597515 3.523302 ASSI { 111 } ( attr rmsd >= 3.483302 and attr rmsd <= 3.563302 ) (( attr rmsd >= 7.557515 and attr rmsd <= 7.637515 ) and bondedto ( attr rmsd >= 113.3607 and attr rmsd <= 114.1607 )) 3.6 3.6 1.4 peak 111 ppm1 3.523302 ppm2 7.597515 volume 11600000 weight 1.0 REMARK dnoe: 3.543794 position 7.608886 2.899739 ASSI { 112 } ( attr rmsd >= 2.859739 and attr rmsd <= 2.939739 ) (( attr rmsd >= 7.568886 and attr rmsd <= 7.648886 ) and bondedto ( attr rmsd >= 113.4064 and attr rmsd <= 114.2064 )) 3.6 3.6 1.4 peak 112 ppm1 2.899739 ppm2 7.608886 volume 8320000 weight 1.0 REMARK dnoe: 2.717702 position 8.023684 4.381994 ASSI { 113 } ( attr rmsd >= 4.341994 and attr rmsd <= 4.421994 ) (( attr rmsd >= 7.983684 and attr rmsd <= 8.063684 ) and bondedto ( attr rmsd >= 114.6073 and attr rmsd <= 115.4073 )) 3.0 3.0 0.5999999 peak 113 ppm1 4.381994 ppm2 8.023684 volume 40900000 weight 1.0 REMARK dnoe: 3.269139 position 8.021515 3.764948 ASSI { 114 } ( attr rmsd >= 3.724948 and attr rmsd <= 3.804948 ) (( attr rmsd >= 7.981515 and attr rmsd <= 8.061515 ) and bondedto ( attr rmsd >= 114.5811 and attr rmsd <= 115.3811 )) 3.6 3.6 1.4 peak 114 ppm1 3.764948 ppm2 8.021515 volume 13500001 weight 1.0 REMARK dnoe: 3.438533 position 8.019346 3.529257 ASSI { 115 } ( attr rmsd >= 3.489257 and attr rmsd <= 3.569257 ) (( attr rmsd >= 7.979346 and attr rmsd <= 8.059346 ) and bondedto ( attr rmsd >= 114.5907 and attr rmsd <= 115.3907 )) 3.6 3.6 1.4 peak 115 ppm1 3.529257 ppm2 8.019346 volume 9970000 weight 1.0 REMARK dnoe: 3.546642 position 8.032335 2.286609 ASSI { 116 } ( attr rmsd >= 2.246609 and attr rmsd <= 2.326609 ) (( attr rmsd >= 7.992335 and attr rmsd <= 8.072335 ) and bondedto ( attr rmsd >= 114.5807 and attr rmsd <= 115.3807 )) 3.6 3.6 1.4 peak 116 ppm1 2.286609 ppm2 8.032335 volume 8280000 weight 1.0 REMARK dnoe: 2.710026 position 8.030178 0.7440076 ASSI { 117 } ( attr rmsd >= 0.7040076 and attr rmsd <= 0.7840076 ) (( attr rmsd >= 7.990178 and attr rmsd <= 8.070178 ) and bondedto ( attr rmsd >= 114.6055 and attr rmsd <= 115.4055 )) 3.0 3.0 0.5999999 peak 117 ppm1 0.7440076 ppm2 8.030178 volume 41600000 weight 1.0 REMARK dnoe: 3.051762 position 7.879756 4.349335 ASSI { 118 } ( attr rmsd >= 4.309335 and attr rmsd <= 4.389335 ) (( attr rmsd >= 7.839756 and attr rmsd <= 7.919756 ) and bondedto ( attr rmsd >= 110.1381 and attr rmsd <= 110.9381 )) 3.6 3.6 1.4 peak 118 ppm1 4.349335 ppm2 7.879756 volume 20400000 weight 1.0 REMARK dnoe: 2.87634 position 7.879756 4.047623 ASSI { 119 } ( attr rmsd >= 4.007623 and attr rmsd <= 4.087623 ) (( attr rmsd >= 7.839756 and attr rmsd <= 7.919756 ) and bondedto ( attr rmsd >= 110.1268 and attr rmsd <= 110.9268 )) 3.0 3.0 0.5999999 peak 119 ppm1 4.047623 ppm2 7.879756 volume 29100000 weight 1.0 REMARK dnoe: 2.711113 position 7.881808 3.696959 ASSI { 120 } ( attr rmsd >= 3.656959 and attr rmsd <= 3.736959 ) (( attr rmsd >= 7.841808 and attr rmsd <= 7.921808 ) and bondedto ( attr rmsd >= 110.1274 and attr rmsd <= 110.9274 )) 3.0 3.0 0.5999999 peak 120 ppm1 3.696959 ppm2 7.881808 volume 41500000 weight 1.0 REMARK dnoe: 3.60561 position 7.877693 2.265814 ASSI { 121 } ( attr rmsd >= 2.225814 and attr rmsd <= 2.305814 ) (( attr rmsd >= 7.837693 and attr rmsd <= 7.917693 ) and bondedto ( attr rmsd >= 110.1575 and attr rmsd <= 110.9575 )) 4.2 4.2 1.8 peak 121 ppm1 2.265814 ppm2 7.877693 volume 7500000 weight 1.0 REMARK dnoe: 3.548071 position 7.879756 1.935546 ASSI { 122 } ( attr rmsd >= 1.895546 and attr rmsd <= 1.975546 ) (( attr rmsd >= 7.839756 and attr rmsd <= 7.919756 ) and bondedto ( attr rmsd >= 110.103 and attr rmsd <= 110.903 )) 3.6 3.6 1.4 peak 122 ppm1 1.935546 ppm2 7.879756 volume 8260000 weight 1.0 REMARK dnoe: 3.827664 position 7.881808 1.629731 ASSI { 123 } ( attr rmsd >= 1.589731 and attr rmsd <= 1.669731 ) (( attr rmsd >= 7.841808 and attr rmsd <= 7.921808 ) and bondedto ( attr rmsd >= 110.0809 and attr rmsd <= 110.8809 )) 4.2 4.2 1.8 peak 123 ppm1 1.629731 ppm2 7.881808 volume 5240000 weight 1.0 REMARK dnoe: 3.029882 position 7.879756 0.7653425 ASSI { 124 } ( attr rmsd >= 0.7253425 and attr rmsd <= 0.8053425 ) (( attr rmsd >= 7.839756 and attr rmsd <= 7.919756 ) and bondedto ( attr rmsd >= 110.1323 and attr rmsd <= 110.9323 )) 3.6 3.6 1.4 peak 124 ppm1 0.7653425 ppm2 7.879756 volume 21300000 weight 1.0 REMARK dnoe: 2.647998 position 8.078041 4.071302 ASSI { 125 } ( attr rmsd >= 4.031302 and attr rmsd <= 4.111302 ) (( attr rmsd >= 8.038041 and attr rmsd <= 8.118041 ) and bondedto ( attr rmsd >= 118.2908 and attr rmsd <= 119.0908 )) 3.0 3.0 0.5999999 peak 125 ppm1 4.071302 ppm2 8.078041 volume 47800000 weight 1.0 REMARK dnoe: 2.87634 position 8.07626 3.672412 ASSI { 126 } ( attr rmsd >= 3.632412 and attr rmsd <= 3.712412 ) (( attr rmsd >= 8.03626 and attr rmsd <= 8.11626 ) and bondedto ( attr rmsd >= 118.2892 and attr rmsd <= 119.0892 )) 3.0 3.0 0.5999999 peak 126 ppm1 3.672412 ppm2 8.07626 volume 29100000 weight 1.0 REMARK dnoe: 3.659612 position 8.078041 3.132336 ASSI { 127 } ( attr rmsd >= 3.092336 and attr rmsd <= 3.172336 ) (( attr rmsd >= 8.038041 and attr rmsd <= 8.118041 ) and bondedto ( attr rmsd >= 118.3064 and attr rmsd <= 119.1064 )) 4.2 4.2 1.8 peak 127 ppm1 3.132336 ppm2 8.078041 volume 6860000 weight 1.0 REMARK dnoe: 2.474965 position 8.078041 1.635639 ASSI { 128 } ( attr rmsd >= 1.595639 and attr rmsd <= 1.675639 ) (( attr rmsd >= 8.038041 and attr rmsd <= 8.118041 ) and bondedto ( attr rmsd >= 118.2869 and attr rmsd <= 119.0869 )) 2.5 2.5 0.2 peak 128 ppm1 1.635639 ppm2 8.078041 volume 71700000 weight 1.0 REMARK dnoe: 2.812429 position 8.27574 7.302286 ASSI { 129 } ( attr rmsd >= 7.262286 and attr rmsd <= 7.342286 ) (( attr rmsd >= 8.23574 and attr rmsd <= 8.31574 ) and bondedto ( attr rmsd >= 121.6441 and attr rmsd <= 122.4441 )) 3.0 3.0 0.5999999 peak 129 ppm1 7.302286 ppm2 8.27574 volume 33300000 weight 1.0 REMARK dnoe: 2.329965 position 8.275587 4.137253 ASSI { 130 } ( attr rmsd >= 4.097253 and attr rmsd <= 4.177253 ) (( attr rmsd >= 8.235587 and attr rmsd <= 8.315587 ) and bondedto ( attr rmsd >= 121.6433 and attr rmsd <= 122.4433 )) 2.5 2.5 0.2 peak 130 ppm1 4.137253 ppm2 8.275587 volume 103000000 weight 1.0 REMARK dnoe: 2.753639 position 8.281202 2.979498 ASSI { 131 } ( attr rmsd >= 2.939498 and attr rmsd <= 3.019498 ) (( attr rmsd >= 8.241202 and attr rmsd <= 8.321202 ) and bondedto ( attr rmsd >= 121.6517 and attr rmsd <= 122.4517 )) 3.0 3.0 0.5999999 peak 131 ppm1 2.979498 ppm2 8.281202 volume 37800000 weight 1.0 REMARK dnoe: 2.493264 position 8.283242 1.694908 ASSI { 132 } ( attr rmsd >= 1.654908 and attr rmsd <= 1.734908 ) (( attr rmsd >= 8.243242 and attr rmsd <= 8.323242 ) and bondedto ( attr rmsd >= 121.6429 and attr rmsd <= 122.4429 )) 2.5 2.5 0.2 peak 132 ppm1 1.694908 ppm2 8.283242 volume 68600000 weight 1.0 REMARK dnoe: 2.754855 position 8.281202 2.813884 ASSI { 133 } ( attr rmsd >= 2.773884 and attr rmsd <= 2.853884 ) (( attr rmsd >= 8.241202 and attr rmsd <= 8.321202 ) and bondedto ( attr rmsd >= 121.6517 and attr rmsd <= 122.4517 )) 3.0 3.0 0.5999999 peak 133 ppm1 2.813884 ppm2 8.281202 volume 37700000 weight 1.0 REMARK dnoe: 3.234163 position 8.430734 9.089956 ASSI { 134 } ( attr rmsd >= 9.049956 and attr rmsd <= 9.129956 ) (( attr rmsd >= 8.390734 and attr rmsd <= 8.470734 ) and bondedto ( attr rmsd >= 124.3856 and attr rmsd <= 125.1856 )) 3.6 3.6 1.4 peak 134 ppm1 9.089956 ppm2 8.430734 volume 14399999 weight 1.0 REMARK dnoe: 3.324776 position 8.430734 7.238164 ASSI { 135 } ( attr rmsd >= 7.198164 and attr rmsd <= 7.278164 ) (( attr rmsd >= 8.390734 and attr rmsd <= 8.470734 ) and bondedto ( attr rmsd >= 124.3782 and attr rmsd <= 125.1782 )) 3.6 3.6 1.4 peak 135 ppm1 7.238164 ppm2 8.430734 volume 12200000 weight 1.0 REMARK dnoe: 3.537445 position 8.419973 6.906865 ASSI { 136 } ( attr rmsd >= 6.866865 and attr rmsd <= 6.946865 ) (( attr rmsd >= 8.379973 and attr rmsd <= 8.459973 ) and bondedto ( attr rmsd >= 124.3321 and attr rmsd <= 125.1321 )) 3.6 3.6 1.4 peak 136 ppm1 6.906865 ppm2 8.419973 volume 8410000 weight 1.0 REMARK dnoe: 3.828883 position 8.422118 6.626558 ASSI { 137 } ( attr rmsd >= 6.586558 and attr rmsd <= 6.666558 ) (( attr rmsd >= 8.382118 and attr rmsd <= 8.462118 ) and bondedto ( attr rmsd >= 124.3432 and attr rmsd <= 125.1432 )) 4.2 4.2 1.8 peak 137 ppm1 6.626558 ppm2 8.422118 volume 5230000 weight 1.0 REMARK dnoe: 3.697394 position 8.437204 6.127956 ASSI { 138 } ( attr rmsd >= 6.087956 and attr rmsd <= 6.167956 ) (( attr rmsd >= 8.397204 and attr rmsd <= 8.477204 ) and bondedto ( attr rmsd >= 124.3596 and attr rmsd <= 125.1596 )) 4.2 4.2 1.8 peak 138 ppm1 6.127956 ppm2 8.437204 volume 6450000 weight 1.0 REMARK dnoe: 2.470393 position 8.428613 4.090902 ASSI { 139 } ( attr rmsd >= 4.050902 and attr rmsd <= 4.130902 ) (( attr rmsd >= 8.388613 and attr rmsd <= 8.468613 ) and bondedto ( attr rmsd >= 124.3756 and attr rmsd <= 125.1756 )) 2.5 2.5 0.2 peak 139 ppm1 4.090902 ppm2 8.428613 volume 72500000 weight 1.0 REMARK dnoe: 2.912472 position 8.433489 2.989298 ASSI { 140 } ( attr rmsd >= 2.949298 and attr rmsd <= 3.029298 ) (( attr rmsd >= 8.393489 and attr rmsd <= 8.473489 ) and bondedto ( attr rmsd >= 124.4995 and attr rmsd <= 125.2995 )) 3.0 3.0 0.5999999 peak 140 ppm1 2.989298 ppm2 8.433489 volume 27000002 weight 1.0 REMARK dnoe: 3.241711 position 8.437733 1.7704 ASSI { 141 } ( attr rmsd >= 1.7304 and attr rmsd <= 1.8104 ) (( attr rmsd >= 8.397733 and attr rmsd <= 8.477733 ) and bondedto ( attr rmsd >= 124.3397 and attr rmsd <= 125.1397 )) 3.6 3.6 1.4 peak 141 ppm1 1.7704 ppm2 8.437733 volume 14200000 weight 1.0 REMARK dnoe: 2.958011 position 8.430828 1.428527 ASSI { 142 } ( attr rmsd >= 1.388527 and attr rmsd <= 1.468527 ) (( attr rmsd >= 8.390828 and attr rmsd <= 8.470828 ) and bondedto ( attr rmsd >= 124.3996 and attr rmsd <= 125.1996 )) 3.0 3.0 0.5999999 peak 142 ppm1 1.428527 ppm2 8.430828 volume 24600000 weight 1.0 REMARK dnoe: 2.858607 position 8.430828 1.125057 ASSI { 143 } ( attr rmsd >= 1.085057 and attr rmsd <= 1.165057 ) (( attr rmsd >= 8.390828 and attr rmsd <= 8.470828 ) and bondedto ( attr rmsd >= 124.3795 and attr rmsd <= 125.1795 )) 3.0 3.0 0.5999999 peak 143 ppm1 1.125057 ppm2 8.430828 volume 30199998 weight 1.0 REMARK dnoe: 2.984899 position 8.430828 0.6770487 ASSI { 144 } ( attr rmsd >= 0.6370487 and attr rmsd <= 0.7170487 ) (( attr rmsd >= 8.390828 and attr rmsd <= 8.470828 ) and bondedto ( attr rmsd >= 124.3996 and attr rmsd <= 125.1996 )) 3.0 3.0 0.5999999 peak 144 ppm1 0.6770487 ppm2 8.430828 volume 23300000 weight 1.0 REMARK dnoe: 2.81953 position 8.428331 -0.0592136 ASSI { 145 } ( attr rmsd >= -0.0992136 and attr rmsd <= -0.0192136 ) (( attr rmsd >= 8.388331 and attr rmsd <= 8.468331 ) and bondedto ( attr rmsd >= 124.3815 and attr rmsd <= 125.1815 )) 3.0 3.0 0.5999999 peak 145 ppm1 -0.0592136 ppm2 8.428331 volume 32800000 weight 1.0 REMARK dnoe: 3.393009 position 8.444098 1.941571 ASSI { 146 } ( attr rmsd >= 1.901571 and attr rmsd <= 1.981571 ) (( attr rmsd >= 8.404099 and attr rmsd <= 8.484098 ) and bondedto ( attr rmsd >= 124.3397 and attr rmsd <= 125.1397 )) 3.6 3.6 1.4 peak 146 ppm1 1.941571 ppm2 8.444098 volume 10800000 weight 1.0 REMARK dnoe: 3.110358 position 8.428179 2.801435 ASSI { 147 } ( attr rmsd >= 2.761435 and attr rmsd <= 2.841435 ) (( attr rmsd >= 8.388179 and attr rmsd <= 8.468179 ) and bondedto ( attr rmsd >= 124.3795 and attr rmsd <= 125.1795 )) 3.6 3.6 1.4 peak 147 ppm1 2.801435 ppm2 8.428179 volume 18200000 weight 1.0 REMARK dnoe: 3.729899 position 7.819632 5.641428 ASSI { 148 } ( attr rmsd >= 5.601428 and attr rmsd <= 5.681428 ) (( attr rmsd >= 7.779632 and attr rmsd <= 7.859632 ) and bondedto ( attr rmsd >= 116.8704 and attr rmsd <= 117.6704 )) 4.2 4.2 1.8 peak 148 ppm1 5.641428 ppm2 7.819632 volume 6120000 weight 1.0 REMARK dnoe: 2.77356 position 7.820511 4.117606 ASSI { 149 } ( attr rmsd >= 4.077606 and attr rmsd <= 4.157606 ) (( attr rmsd >= 7.780511 and attr rmsd <= 7.860511 ) and bondedto ( attr rmsd >= 116.8476 and attr rmsd <= 117.6476 )) 3.0 3.0 0.5999999 peak 149 ppm1 4.117606 ppm2 7.820511 volume 36200000 weight 1.0 REMARK dnoe: 2.930849 position 7.820511 1.777199 ASSI { 150 } ( attr rmsd >= 1.737199 and attr rmsd <= 1.817199 ) (( attr rmsd >= 7.780511 and attr rmsd <= 7.860511 ) and bondedto ( attr rmsd >= 116.8749 and attr rmsd <= 117.6749 )) 3.0 3.0 0.5999999 peak 150 ppm1 1.777199 ppm2 7.820511 volume 26000000 weight 1.0 REMARK dnoe: 3.237922 position 7.822855 0.6255875 ASSI { 151 } ( attr rmsd >= 0.5855875 and attr rmsd <= 0.6655875 ) (( attr rmsd >= 7.782855 and attr rmsd <= 7.862855 ) and bondedto ( attr rmsd >= 116.8191 and attr rmsd <= 117.6191 )) 3.6 3.6 1.4 peak 151 ppm1 0.6255875 ppm2 7.822855 volume 14300001 weight 1.0 REMARK dnoe: 3.633598 position 7.827544 -0.0523911 ASSI { 152 } ( attr rmsd >= -0.0923911 and attr rmsd <= -0.0123911 ) (( attr rmsd >= 7.787544 and attr rmsd <= 7.867544 ) and bondedto ( attr rmsd >= 116.8952 and attr rmsd <= 117.6952 )) 4.2 4.2 1.8 peak 152 ppm1 -0.0523911 ppm2 7.827544 volume 7160000 weight 1.0 REMARK dnoe: 3.302593 position 7.818167 1.089937 ASSI { 153 } ( attr rmsd >= 1.049937 and attr rmsd <= 1.129937 ) (( attr rmsd >= 7.778167 and attr rmsd <= 7.858167 ) and bondedto ( attr rmsd >= 116.7501 and attr rmsd <= 117.5501 )) 3.6 3.6 1.4 peak 153 ppm1 1.089937 ppm2 7.818167 volume 12700000 weight 1.0 REMARK dnoe: 3.051762 position 9.423367 9.130751 ASSI { 154 } ( attr rmsd >= 9.090751 and attr rmsd <= 9.170751 ) (( attr rmsd >= 9.383367 and attr rmsd <= 9.463367 ) and bondedto ( attr rmsd >= 126.0759 and attr rmsd <= 126.8759 )) 3.6 3.6 1.4 peak 154 ppm1 9.130751 ppm2 9.423367 volume 20400000 weight 1.0 REMARK dnoe: 3.908847 position 9.41557 8.496685 ASSI { 155 } ( attr rmsd >= 8.456685 and attr rmsd <= 8.536685 ) (( attr rmsd >= 9.37557 and attr rmsd <= 9.45557 ) and bondedto ( attr rmsd >= 126.1372 and attr rmsd <= 126.9372 )) 4.2 4.2 1.8 peak 155 ppm1 8.496685 ppm2 9.41557 volume 4620000 weight 1.0 REMARK dnoe: 3.463892 position 9.425968 7.130177 ASSI { 156 } ( attr rmsd >= 7.090177 and attr rmsd <= 7.170177 ) (( attr rmsd >= 9.385968 and attr rmsd <= 9.465968 ) and bondedto ( attr rmsd >= 126.0573 and attr rmsd <= 126.8573 )) 3.6 3.6 1.4 peak 156 ppm1 7.130177 ppm2 9.425968 volume 9540000 weight 1.0 REMARK dnoe: 3.171294 position 9.416368 6.815782 ASSI { 157 } ( attr rmsd >= 6.775782 and attr rmsd <= 6.855782 ) (( attr rmsd >= 9.376368 and attr rmsd <= 9.456367 ) and bondedto ( attr rmsd >= 126.0458 and attr rmsd <= 126.8458 )) 3.6 3.6 1.4 peak 157 ppm1 6.815782 ppm2 9.416368 volume 16200000 weight 1.0 REMARK dnoe: 3.438533 position 9.423367 6.121954 ASSI { 158 } ( attr rmsd >= 6.081954 and attr rmsd <= 6.161954 ) (( attr rmsd >= 9.383367 and attr rmsd <= 9.463367 ) and bondedto ( attr rmsd >= 126.0569 and attr rmsd <= 126.8569 )) 3.6 3.6 1.4 peak 158 ppm1 6.121954 ppm2 9.423367 volume 9970000 weight 1.0 REMARK dnoe: 2.622993 position 9.417094 5.638849 ASSI { 159 } ( attr rmsd >= 5.598849 and attr rmsd <= 5.678849 ) (( attr rmsd >= 9.377094 and attr rmsd <= 9.457094 ) and bondedto ( attr rmsd >= 126.0278 and attr rmsd <= 126.8278 )) 3.0 3.0 0.5999999 peak 159 ppm1 5.638849 ppm2 9.417094 volume 50600000 weight 1.0 REMARK dnoe: 2.982769 position 9.418467 4.769514 ASSI { 160 } ( attr rmsd >= 4.729514 and attr rmsd <= 4.809514 ) (( attr rmsd >= 9.378467 and attr rmsd <= 9.458467 ) and bondedto ( attr rmsd >= 126.0226 and attr rmsd <= 126.8226 )) 3.0 3.0 0.5999999 peak 160 ppm1 4.769514 ppm2 9.418467 volume 23400000 weight 1.0 REMARK dnoe: 3.425487 position 8.501467 9.035728 ASSI { 161 } ( attr rmsd >= 8.995728 and attr rmsd <= 9.075728 ) (( attr rmsd >= 8.461467 and attr rmsd <= 8.541467 ) and bondedto ( attr rmsd >= 117.4292 and attr rmsd <= 118.2292 )) 3.6 3.6 1.4 peak 161 ppm1 9.035728 ppm2 8.501467 volume 10200000 weight 1.0 REMARK dnoe: 3.913094 position 8.499896 9.434221 ASSI { 162 } ( attr rmsd >= 9.394221 and attr rmsd <= 9.474221 ) (( attr rmsd >= 8.459896 and attr rmsd <= 8.539896 ) and bondedto ( attr rmsd >= 117.381 and attr rmsd <= 118.181 )) 4.2 4.2 1.8 peak 162 ppm1 9.434221 ppm2 8.499896 volume 4590000 weight 1.0 REMARK dnoe: 3.3433 position 8.999718 8.576772 ASSI { 163 } ( attr rmsd >= 8.536772 and attr rmsd <= 8.616772 ) (( attr rmsd >= 8.959718 and attr rmsd <= 9.039718 ) and bondedto ( attr rmsd >= 127.8853 and attr rmsd <= 128.6853 )) 3.6 3.6 1.4 peak 163 ppm1 8.576772 ppm2 8.999718 volume 11800000 weight 1.0 REMARK dnoe: 2.162808 position 8.500436 4.765857 ASSI { 164 } ( attr rmsd >= 4.725857 and attr rmsd <= 4.805857 ) (( attr rmsd >= 8.460436 and attr rmsd <= 8.540436 ) and bondedto ( attr rmsd >= 117.3277 and attr rmsd <= 118.1277 )) 2.5 2.5 0.2 peak 164 ppm1 4.765857 ppm2 8.500436 volume 161000000 weight 1.0 REMARK dnoe: 2.689929 position 8.500706 3.970982 ASSI { 165 } ( attr rmsd >= 3.930982 and attr rmsd <= 4.010982 ) (( attr rmsd >= 8.460706 and attr rmsd <= 8.540706 ) and bondedto ( attr rmsd >= 117.3402 and attr rmsd <= 118.1402 )) 3.0 3.0 0.5999999 peak 165 ppm1 3.970982 ppm2 8.500706 volume 43500000 weight 1.0 REMARK dnoe: 2.647998 position 8.500986 1.509412 ASSI { 166 } ( attr rmsd >= 1.469412 and attr rmsd <= 1.549412 ) (( attr rmsd >= 8.460986 and attr rmsd <= 8.540986 ) and bondedto ( attr rmsd >= 117.3359 and attr rmsd <= 118.1359 )) 3.0 3.0 0.5999999 peak 166 ppm1 1.509412 ppm2 8.500986 volume 47800000 weight 1.0 REMARK dnoe: 2.978541 position 8.500447 1.064991 ASSI { 167 } ( attr rmsd >= 1.024991 and attr rmsd <= 1.104991 ) (( attr rmsd >= 8.460447 and attr rmsd <= 8.540447 ) and bondedto ( attr rmsd >= 117.3396 and attr rmsd <= 118.1396 )) 3.0 3.0 0.5999999 peak 167 ppm1 1.064991 ppm2 8.500447 volume 23600000 weight 1.0 REMARK dnoe: 3.529102 position 8.499322 0.6816678 ASSI { 168 } ( attr rmsd >= 0.6416678 and attr rmsd <= 0.7216678 ) (( attr rmsd >= 8.459322 and attr rmsd <= 8.539322 ) and bondedto ( attr rmsd >= 117.4515 and attr rmsd <= 118.2515 )) 3.6 3.6 1.4 peak 168 ppm1 0.6816678 ppm2 8.499322 volume 8530000 weight 1.0 REMARK dnoe: 4.173143 position 8.501057 0.281323 ASSI { 169 } ( attr rmsd >= 0.241323 and attr rmsd <= 0.321323 ) (( attr rmsd >= 8.461057 and attr rmsd <= 8.541057 ) and bondedto ( attr rmsd >= 117.3494 and attr rmsd <= 118.1494 )) 4.2 4.2 1.8 peak 169 ppm1 0.281323 ppm2 8.501057 volume 3120000 weight 1.0 REMARK dnoe: 3.127785 position 8.505441 1.844157 ASSI { 170 } ( attr rmsd >= 1.804157 and attr rmsd <= 1.884157 ) (( attr rmsd >= 8.465441 and attr rmsd <= 8.545441 ) and bondedto ( attr rmsd >= 117.4492 and attr rmsd <= 118.2492 )) 3.6 3.6 1.4 peak 170 ppm1 1.844157 ppm2 8.505441 volume 17600000 weight 1.0 REMARK dnoe: 2.539769 position 9.010702 4.774226 ASSI { 171 } ( attr rmsd >= 4.734226 and attr rmsd <= 4.814226 ) (( attr rmsd >= 8.970702 and attr rmsd <= 9.050702 ) and bondedto ( attr rmsd >= 127.9849 and attr rmsd <= 128.7849 )) 3.0 3.0 0.5999999 peak 171 ppm1 4.774226 ppm2 9.010702 volume 61400004 weight 1.0 REMARK dnoe: 3.511486 position 9.013855 4.280712 ASSI { 172 } ( attr rmsd >= 4.240712 and attr rmsd <= 4.320712 ) (( attr rmsd >= 8.973855 and attr rmsd <= 9.053855 ) and bondedto ( attr rmsd >= 127.8802 and attr rmsd <= 128.6802 )) 3.6 3.6 1.4 peak 172 ppm1 4.280712 ppm2 9.013855 volume 8790000 weight 1.0 REMARK dnoe: 3.60162 position 9.004477 3.955649 ASSI { 173 } ( attr rmsd >= 3.915649 and attr rmsd <= 3.995649 ) (( attr rmsd >= 8.964477 and attr rmsd <= 9.044477 ) and bondedto ( attr rmsd >= 127.9072 and attr rmsd <= 128.7072 )) 4.2 4.2 1.8 peak 173 ppm1 3.955649 ppm2 9.004477 volume 7550000 weight 1.0 REMARK dnoe: 3.477387 position 9.01151 2.650778 ASSI { 174 } ( attr rmsd >= 2.610778 and attr rmsd <= 2.690778 ) (( attr rmsd >= 8.97151 and attr rmsd <= 9.05151 ) and bondedto ( attr rmsd >= 127.9238 and attr rmsd <= 128.7238 )) 3.6 3.6 1.4 peak 174 ppm1 2.650778 ppm2 9.01151 volume 9320000 weight 1.0 REMARK dnoe: 2.958011 position 9.01151 1.684896 ASSI { 175 } ( attr rmsd >= 1.644896 and attr rmsd <= 1.724896 ) (( attr rmsd >= 8.97151 and attr rmsd <= 9.05151 ) and bondedto ( attr rmsd >= 127.9148 and attr rmsd <= 128.7148 )) 3.0 3.0 0.5999999 peak 175 ppm1 1.684896 ppm2 9.01151 volume 24600000 weight 1.0 REMARK dnoe: 2.832634 position 9.013855 1.039436 ASSI { 176 } ( attr rmsd >= 0.999436 and attr rmsd <= 1.079436 ) (( attr rmsd >= 8.973855 and attr rmsd <= 9.053855 ) and bondedto ( attr rmsd >= 127.9468 and attr rmsd <= 128.7468 )) 3.0 3.0 0.5999999 peak 176 ppm1 1.039436 ppm2 9.013855 volume 31900000 weight 1.0 REMARK dnoe: 3.025166 position 9.002132 0.6261501 ASSI { 177 } ( attr rmsd >= 0.5861501 and attr rmsd <= 0.6661501 ) (( attr rmsd >= 8.962132 and attr rmsd <= 9.042132 ) and bondedto ( attr rmsd >= 127.9531 and attr rmsd <= 128.7531 )) 3.6 3.6 1.4 peak 177 ppm1 0.6261501 ppm2 9.002132 volume 21500000 weight 1.0 REMARK dnoe: 3.072177 position 9.009166 0.2964454 ASSI { 178 } ( attr rmsd >= 0.2564454 and attr rmsd <= 0.3364454 ) (( attr rmsd >= 8.969166 and attr rmsd <= 9.049166 ) and bondedto ( attr rmsd >= 127.9457 and attr rmsd <= 128.7457 )) 3.6 3.6 1.4 peak 178 ppm1 0.2964454 ppm2 9.009166 volume 19600000 weight 1.0 REMARK dnoe: 3.802678 position 7.890623 8.601929 ASSI { 179 } ( attr rmsd >= 8.561929 and attr rmsd <= 8.641929 ) (( attr rmsd >= 7.850623 and attr rmsd <= 7.930623 ) and bondedto ( attr rmsd >= 106.7239 and attr rmsd <= 107.5239 )) 4.2 4.2 1.8 peak 179 ppm1 8.601929 ppm2 7.890623 volume 5450000 weight 1.0 REMARK dnoe: 4.353646 position 7.888302 6.871299 ASSI { 180 } ( attr rmsd >= 6.831299 and attr rmsd <= 6.911299 ) (( attr rmsd >= 7.848302 and attr rmsd <= 7.928302 ) and bondedto ( attr rmsd >= 106.6441 and attr rmsd <= 107.4441 )) 4.2 4.2 1.8 peak 180 ppm1 6.871299 ppm2 7.888302 volume 2420000 weight 1.0 REMARK dnoe: 4.175376 position 7.892944 6.668548 ASSI { 181 } ( attr rmsd >= 6.628548 and attr rmsd <= 6.708548 ) (( attr rmsd >= 7.852944 and attr rmsd <= 7.932944 ) and bondedto ( attr rmsd >= 106.6441 and attr rmsd <= 107.4441 )) 4.2 4.2 1.8 peak 181 ppm1 6.668548 ppm2 7.892944 volume 3110000 weight 1.0 REMARK dnoe: 2.490248 position 7.894362 4.482103 ASSI { 182 } ( attr rmsd >= 4.442103 and attr rmsd <= 4.522103 ) (( attr rmsd >= 7.854362 and attr rmsd <= 7.934362 ) and bondedto ( attr rmsd >= 106.6642 and attr rmsd <= 107.4642 )) 2.5 2.5 0.2 peak 182 ppm1 4.482103 ppm2 7.894362 volume 69100000 weight 1.0 REMARK dnoe: 2.535656 position 7.894362 3.729101 ASSI { 183 } ( attr rmsd >= 3.689101 and attr rmsd <= 3.769101 ) (( attr rmsd >= 7.854362 and attr rmsd <= 7.934362 ) and bondedto ( attr rmsd >= 106.6642 and attr rmsd <= 107.4642 )) 3.0 3.0 0.5999999 peak 183 ppm1 3.729101 ppm2 7.894362 volume 62000000 weight 1.0 REMARK dnoe: 3.398274 position 7.896555 2.346206 ASSI { 184 } ( attr rmsd >= 2.306206 and attr rmsd <= 2.386206 ) (( attr rmsd >= 7.856555 and attr rmsd <= 7.936555 ) and bondedto ( attr rmsd >= 106.6841 and attr rmsd <= 107.4841 )) 3.6 3.6 1.4 peak 184 ppm1 2.346206 ppm2 7.896555 volume 10700000 weight 1.0 REMARK dnoe: 3.616952 position 7.90095 2.027637 ASSI { 185 } ( attr rmsd >= 1.987637 and attr rmsd <= 2.067637 ) (( attr rmsd >= 7.86095 and attr rmsd <= 7.94095 ) and bondedto ( attr rmsd >= 106.6441 and attr rmsd <= 107.4441 )) 4.2 4.2 1.8 peak 185 ppm1 2.027637 ppm2 7.90095 volume 7360000 weight 1.0 REMARK dnoe: 3.164815 position 7.90095 1.759733 ASSI { 186 } ( attr rmsd >= 1.719733 and attr rmsd <= 1.799733 ) (( attr rmsd >= 7.86095 and attr rmsd <= 7.94095 ) and bondedto ( attr rmsd >= 106.6241 and attr rmsd <= 107.4241 )) 3.6 3.6 1.4 peak 186 ppm1 1.759733 ppm2 7.90095 volume 16400000 weight 1.0 REMARK dnoe: 3.45371 position 7.905346 1.493282 ASSI { 187 } ( attr rmsd >= 1.453282 and attr rmsd <= 1.533282 ) (( attr rmsd >= 7.865346 and attr rmsd <= 7.945346 ) and bondedto ( attr rmsd >= 106.5843 and attr rmsd <= 107.3843 )) 3.6 3.6 1.4 peak 187 ppm1 1.493282 ppm2 7.905346 volume 9710000 weight 1.0 REMARK dnoe: 3.77768 position 7.90095 1.071907 ASSI { 188 } ( attr rmsd >= 1.031907 and attr rmsd <= 1.111907 ) (( attr rmsd >= 7.86095 and attr rmsd <= 7.94095 ) and bondedto ( attr rmsd >= 106.6241 and attr rmsd <= 107.4241 )) 4.2 4.2 1.8 peak 188 ppm1 1.071907 ppm2 7.90095 volume 0.567e+07 weight 1.0 REMARK dnoe: 3.540962 position 7.896555 0.6230083 ASSI { 189 } ( attr rmsd >= 0.5830083 and attr rmsd <= 0.6630083 ) (( attr rmsd >= 7.856555 and attr rmsd <= 7.936555 ) and bondedto ( attr rmsd >= 106.7239 and attr rmsd <= 107.5239 )) 3.6 3.6 1.4 peak 189 ppm1 0.6230083 ppm2 7.896555 volume 8360001 weight 1.0 REMARK dnoe: 3.51082 position 7.450059 4.087831 ASSI { 190 } ( attr rmsd >= 4.047831 and attr rmsd <= 4.127831 ) (( attr rmsd >= 7.410059 and attr rmsd <= 7.490059 ) and bondedto ( attr rmsd >= 122.2601 and attr rmsd <= 123.0601 )) 3.6 3.6 1.4 peak 190 ppm1 4.087831 ppm2 7.450059 volume 8800000 weight 1.0 REMARK dnoe: 3.032259 position 7.454982 1.429981 ASSI { 191 } ( attr rmsd >= 1.389981 and attr rmsd <= 1.469981 ) (( attr rmsd >= 7.414982 and attr rmsd <= 7.494982 ) and bondedto ( attr rmsd >= 122.2238 and attr rmsd <= 123.0238 )) 3.6 3.6 1.4 peak 191 ppm1 1.429981 ppm2 7.454982 volume 21200000 weight 1.0 REMARK dnoe: 3.570016 position 7.459894 1.120719 ASSI { 192 } ( attr rmsd >= 1.080719 and attr rmsd <= 1.160719 ) (( attr rmsd >= 7.419894 and attr rmsd <= 7.499894 ) and bondedto ( attr rmsd >= 122.2425 and attr rmsd <= 123.0425 )) 3.6 3.6 1.4 peak 192 ppm1 1.120719 ppm2 7.459894 volume 7960000 weight 1.0 REMARK dnoe: 3.357681 position 7.447597 0.743773 ASSI { 193 } ( attr rmsd >= 0.703773 and attr rmsd <= 0.783773 ) (( attr rmsd >= 7.407597 and attr rmsd <= 7.487597 ) and bondedto ( attr rmsd >= 122.166 and attr rmsd <= 122.966 )) 3.6 3.6 1.4 peak 193 ppm1 0.743773 ppm2 7.447597 volume 11500000 weight 1.0 REMARK dnoe: 3.491899 position 7.550321 4.413902 ASSI { 194 } ( attr rmsd >= 4.373902 and attr rmsd <= 4.453902 ) (( attr rmsd >= 7.510321 and attr rmsd <= 7.590321 ) and bondedto ( attr rmsd >= 111.6349 and attr rmsd <= 112.4349 )) 3.6 3.6 1.4 peak 194 ppm1 4.413902 ppm2 7.550321 volume 9090000 weight 1.0 REMARK dnoe: 3.491899 position 7.556674 3.71208 ASSI { 195 } ( attr rmsd >= 3.67208 and attr rmsd <= 3.75208 ) (( attr rmsd >= 7.516674 and attr rmsd <= 7.596674 ) and bondedto ( attr rmsd >= 111.6706 and attr rmsd <= 112.4706 )) 3.6 3.6 1.4 peak 195 ppm1 3.71208 ppm2 7.556674 volume 9090000 weight 1.0 REMARK dnoe: 3.553108 position 7.546792 1.469298 ASSI { 196 } ( attr rmsd >= 1.429298 and attr rmsd <= 1.509298 ) (( attr rmsd >= 7.506792 and attr rmsd <= 7.586792 ) and bondedto ( attr rmsd >= 111.6577 and attr rmsd <= 112.4577 )) 3.6 3.6 1.4 peak 196 ppm1 1.469298 ppm2 7.546792 volume 8190000 weight 1.0 REMARK dnoe: 3.324776 position 7.54453 2.69959 ASSI { 197 } ( attr rmsd >= 2.65959 and attr rmsd <= 2.73959 ) (( attr rmsd >= 7.50453 and attr rmsd <= 7.58453 ) and bondedto ( attr rmsd >= 111.6628 and attr rmsd <= 112.4628 )) 3.6 3.6 1.4 peak 197 ppm1 2.69959 ppm2 7.54453 volume 12200000 weight 1.0 REMARK dnoe: 3.576788 position 7.89244 6.721229 ASSI { 198 } ( attr rmsd >= 6.681229 and attr rmsd <= 6.761229 ) (( attr rmsd >= 7.85244 and attr rmsd <= 7.93244 ) and bondedto ( attr rmsd >= 122.6619 and attr rmsd <= 123.4619 )) 3.6 3.6 1.4 peak 198 ppm1 6.721229 ppm2 7.89244 volume 7870000 weight 1.0 REMARK dnoe: 2.55311 position 7.902767 4.363636 ASSI { 199 } ( attr rmsd >= 4.323636 and attr rmsd <= 4.403636 ) (( attr rmsd >= 7.862767 and attr rmsd <= 7.942767 ) and bondedto ( attr rmsd >= 122.6619 and attr rmsd <= 123.4619 )) 3.0 3.0 0.5999999 peak 199 ppm1 4.363636 ppm2 7.902767 volume 59500004 weight 1.0 REMARK dnoe: 3.029882 position 7.902767 3.726686 ASSI { 200 } ( attr rmsd >= 3.686686 and attr rmsd <= 3.766686 ) (( attr rmsd >= 7.862767 and attr rmsd <= 7.942767 ) and bondedto ( attr rmsd >= 122.6619 and attr rmsd <= 123.4619 )) 3.6 3.6 1.4 peak 200 ppm1 3.726686 ppm2 7.902767 volume 21300000 weight 1.0 REMARK dnoe: 3.127785 position 7.892991 2.865392 ASSI { 201 } ( attr rmsd >= 2.825392 and attr rmsd <= 2.905392 ) (( attr rmsd >= 7.852991 and attr rmsd <= 7.932991 ) and bondedto ( attr rmsd >= 122.622 and attr rmsd <= 123.422 )) 3.6 3.6 1.4 peak 201 ppm1 2.865392 ppm2 7.892991 volume 17600000 weight 1.0 REMARK dnoe: 3.124833 position 7.900329 2.506499 ASSI { 202 } ( attr rmsd >= 2.466499 and attr rmsd <= 2.546499 ) (( attr rmsd >= 7.860329 and attr rmsd <= 7.940329 ) and bondedto ( attr rmsd >= 122.6611 and attr rmsd <= 123.4611 )) 3.6 3.6 1.4 peak 202 ppm1 2.506499 ppm2 7.900329 volume 17700000 weight 1.0 REMARK dnoe: 2.97021 position 7.900329 1.606005 ASSI { 203 } ( attr rmsd >= 1.566005 and attr rmsd <= 1.646005 ) (( attr rmsd >= 7.860329 and attr rmsd <= 7.940329 ) and bondedto ( attr rmsd >= 122.6619 and attr rmsd <= 123.4619 )) 3.0 3.0 0.5999999 peak 203 ppm1 1.606005 ppm2 7.900329 volume 24000000 weight 1.0 REMARK dnoe: 3.813246 position 7.350606 6.757029 ASSI { 204 } ( attr rmsd >= 6.717029 and attr rmsd <= 6.797029 ) (( attr rmsd >= 7.310606 and attr rmsd <= 7.390606 ) and bondedto ( attr rmsd >= 121.3976 and attr rmsd <= 122.1976 )) 4.2 4.2 1.8 peak 204 ppm1 6.757029 ppm2 7.350606 volume 5360000 weight 1.0 REMARK dnoe: 3.000113 position 7.361941 4.356627 ASSI { 205 } ( attr rmsd >= 4.316627 and attr rmsd <= 4.396627 ) (( attr rmsd >= 7.321941 and attr rmsd <= 7.401941 ) and bondedto ( attr rmsd >= 121.3765 and attr rmsd <= 122.1765 )) 3.6 3.6 1.4 peak 205 ppm1 4.356627 ppm2 7.361941 volume 22600000 weight 1.0 REMARK dnoe: 3.436811 position 7.364251 4.128226 ASSI { 206 } ( attr rmsd >= 4.088226 and attr rmsd <= 4.168226 ) (( attr rmsd >= 7.324251 and attr rmsd <= 7.404251 ) and bondedto ( attr rmsd >= 121.4097 and attr rmsd <= 122.2097 )) 3.6 3.6 1.4 peak 206 ppm1 4.128226 ppm2 7.364251 volume 10000000 weight 1.0 REMARK dnoe: 3.387801 position 7.361941 3.662283 ASSI { 207 } ( attr rmsd >= 3.622283 and attr rmsd <= 3.702283 ) (( attr rmsd >= 7.321941 and attr rmsd <= 7.401941 ) and bondedto ( attr rmsd >= 121.4013 and attr rmsd <= 122.2013 )) 3.6 3.6 1.4 peak 207 ppm1 3.662283 ppm2 7.361941 volume 10900000 weight 1.0 REMARK dnoe: 3.814434 position 7.361941 2.854256 ASSI { 208 } ( attr rmsd >= 2.814256 and attr rmsd <= 2.894256 ) (( attr rmsd >= 7.321941 and attr rmsd <= 7.401941 ) and bondedto ( attr rmsd >= 121.3837 and attr rmsd <= 122.1837 )) 4.2 4.2 1.8 peak 208 ppm1 2.854256 ppm2 7.361941 volume 5350001 weight 1.0 REMARK dnoe: 3.60481 position 7.35962 2.506897 ASSI { 209 } ( attr rmsd >= 2.466897 and attr rmsd <= 2.546897 ) (( attr rmsd >= 7.31962 and attr rmsd <= 7.39962 ) and bondedto ( attr rmsd >= 121.3837 and attr rmsd <= 122.1837 )) 4.2 4.2 1.8 peak 209 ppm1 2.506897 ppm2 7.35962 volume 7510000 weight 1.0 REMARK dnoe: 3.449577 position 7.366572 0.907676 ASSI { 210 } ( attr rmsd >= 0.867676 and attr rmsd <= 0.947676 ) (( attr rmsd >= 7.326572 and attr rmsd <= 7.406572 ) and bondedto ( attr rmsd >= 121.4071 and attr rmsd <= 122.2071 )) 3.6 3.6 1.4 peak 210 ppm1 0.907676 ppm2 7.366572 volume 9780000 weight 1.0 REMARK dnoe: 2.553826 position 8.061642 4.1422 ASSI { 211 } ( attr rmsd >= 4.1022 and attr rmsd <= 4.1822 ) (( attr rmsd >= 8.021642 and attr rmsd <= 8.101642 ) and bondedto ( attr rmsd >= 125.5628 and attr rmsd <= 126.3628 )) 3.0 3.0 0.5999999 peak 211 ppm1 4.1422 ppm2 8.061642 volume 59400000 weight 1.0 REMARK dnoe: 2.576742 position 8.060446 3.776014 ASSI { 212 } ( attr rmsd >= 3.736014 and attr rmsd <= 3.816014 ) (( attr rmsd >= 8.020446 and attr rmsd <= 8.100446 ) and bondedto ( attr rmsd >= 125.5491 and attr rmsd <= 126.3491 )) 3.0 3.0 0.5999999 peak 212 ppm1 3.776014 ppm2 8.060446 volume 56300004 weight 1.0 REMARK dnoe: 2.972278 position 8.055393 1.683115 ASSI { 213 } ( attr rmsd >= 1.643115 and attr rmsd <= 1.723115 ) (( attr rmsd >= 8.015393 and attr rmsd <= 8.095393 ) and bondedto ( attr rmsd >= 125.518 and attr rmsd <= 126.318 )) 3.0 3.0 0.5999999 peak 213 ppm1 1.683115 ppm2 8.055393 volume 23900000 weight 1.0 REMARK dnoe: 2.618699 position 8.062966 1.214827 ASSI { 214 } ( attr rmsd >= 1.174827 and attr rmsd <= 1.254827 ) (( attr rmsd >= 8.022966 and attr rmsd <= 8.102966 ) and bondedto ( attr rmsd >= 125.5794 and attr rmsd <= 126.3794 )) 3.0 3.0 0.5999999 peak 214 ppm1 1.214827 ppm2 8.062966 volume 51099996 weight 1.0 REMARK dnoe: 2.650778 position 8.062966 0.9246972 ASSI { 215 } ( attr rmsd >= 0.8846972 and attr rmsd <= 0.9646972 ) (( attr rmsd >= 8.022966 and attr rmsd <= 8.102966 ) and bondedto ( attr rmsd >= 125.572 and attr rmsd <= 126.372 )) 3.0 3.0 0.5999999 peak 215 ppm1 0.9246972 ppm2 8.062966 volume 47500000 weight 1.0 REMARK dnoe: 3.049276 position 8.060446 0.4544868 ASSI { 216 } ( attr rmsd >= 0.4144868 and attr rmsd <= 0.4944868 ) (( attr rmsd >= 8.020446 and attr rmsd <= 8.100446 ) and bondedto ( attr rmsd >= 125.5395 and attr rmsd <= 126.3395 )) 3.6 3.6 1.4 peak 216 ppm1 0.4544868 ppm2 8.060446 volume 20500000 weight 1.0 REMARK dnoe: 2.9179 position 8.057925 0.1624808 ASSI { 217 } ( attr rmsd >= 0.1224808 and attr rmsd <= 0.2024808 ) (( attr rmsd >= 8.017925 and attr rmsd <= 8.097925 ) and bondedto ( attr rmsd >= 125.578 and attr rmsd <= 126.378 )) 3.0 3.0 0.5999999 peak 217 ppm1 0.1624808 ppm2 8.057925 volume 26699998 weight 1.0 REMARK dnoe: 3.257185 position 8.060446 -0.0547357 ASSI { 218 } ( attr rmsd >= -0.0947357 and attr rmsd <= -0.0147357 ) (( attr rmsd >= 8.020446 and attr rmsd <= 8.100446 ) and bondedto ( attr rmsd >= 125.578 and attr rmsd <= 126.378 )) 3.6 3.6 1.4 peak 218 ppm1 -0.0547357 ppm2 8.060446 volume 13800000 weight 1.0 REMARK dnoe: 3.277281 position 8.383915 4.240058 ASSI { 219 } ( attr rmsd >= 4.200058 and attr rmsd <= 4.280058 ) (( attr rmsd >= 8.343915 and attr rmsd <= 8.423915 ) and bondedto ( attr rmsd >= 127.6152 and attr rmsd <= 128.4152 )) 3.6 3.6 1.4 peak 219 ppm1 4.240058 ppm2 8.383915 volume 13300000 weight 1.0 REMARK dnoe: 2.857033 position 8.391148 3.74556 ASSI { 220 } ( attr rmsd >= 3.70556 and attr rmsd <= 3.78556 ) (( attr rmsd >= 8.351148 and attr rmsd <= 8.431148 ) and bondedto ( attr rmsd >= 127.6109 and attr rmsd <= 128.4109 )) 3.0 3.0 0.5999999 peak 220 ppm1 3.74556 ppm2 8.391148 volume 30300000 weight 1.0 REMARK dnoe: 2.873058 position 8.391148 1.728621 ASSI { 221 } ( attr rmsd >= 1.688621 and attr rmsd <= 1.768621 ) (( attr rmsd >= 8.351148 and attr rmsd <= 8.431148 ) and bondedto ( attr rmsd >= 127.6047 and attr rmsd <= 128.4047 )) 3.0 3.0 0.5999999 peak 221 ppm1 1.728621 ppm2 8.391148 volume 29300002 weight 1.0 REMARK dnoe: 3.074798 position 8.388733 1.352823 ASSI { 222 } ( attr rmsd >= 1.312823 and attr rmsd <= 1.392823 ) (( attr rmsd >= 8.348733 and attr rmsd <= 8.428733 ) and bondedto ( attr rmsd >= 127.5752 and attr rmsd <= 128.3752 )) 3.6 3.6 1.4 peak 222 ppm1 1.352823 ppm2 8.388733 volume 19500000 weight 1.0 REMARK dnoe: 3.320255 position 8.388733 0.1854806 ASSI { 223 } ( attr rmsd >= 0.1454806 and attr rmsd <= 0.2254806 ) (( attr rmsd >= 8.348733 and attr rmsd <= 8.428733 ) and bondedto ( attr rmsd >= 127.5552 and attr rmsd <= 128.3552 )) 3.6 3.6 1.4 peak 223 ppm1 0.1854806 ppm2 8.388733 volume 12300000 weight 1.0 REMARK dnoe: 3.03465 position 7.758324 4.254102 ASSI { 224 } ( attr rmsd >= 4.214102 and attr rmsd <= 4.294102 ) (( attr rmsd >= 7.718324 and attr rmsd <= 7.798324 ) and bondedto ( attr rmsd >= 119.5862 and attr rmsd <= 120.3862 )) 3.6 3.6 1.4 peak 224 ppm1 4.254102 ppm2 7.758324 volume 21100000 weight 1.0 REMARK dnoe: 3.01132 position 7.73414 1.613436 ASSI { 225 } ( attr rmsd >= 1.573436 and attr rmsd <= 1.653436 ) (( attr rmsd >= 7.69414 and attr rmsd <= 7.77414 ) and bondedto ( attr rmsd >= 119.5403 and attr rmsd <= 120.3403 )) 3.6 3.6 1.4 peak 225 ppm1 1.613436 ppm2 7.73414 volume 22100000 weight 1.0 REMARK dnoe: 2.98704 position 7.746238 1.066843 ASSI { 226 } ( attr rmsd >= 1.026843 and attr rmsd <= 1.106843 ) (( attr rmsd >= 7.706238 and attr rmsd <= 7.786238 ) and bondedto ( attr rmsd >= 119.6256 and attr rmsd <= 120.4256 )) 3.0 3.0 0.5999999 peak 226 ppm1 1.066843 ppm2 7.746238 volume 23200000 weight 1.0 REMARK dnoe: 3.362571 position 8.666015 6.878778 ASSI { 227 } ( attr rmsd >= 6.838778 and attr rmsd <= 6.918778 ) (( attr rmsd >= 8.626015 and attr rmsd <= 8.706015 ) and bondedto ( attr rmsd >= 124.36 and attr rmsd <= 125.16 )) 3.6 3.6 1.4 peak 227 ppm1 6.878778 ppm2 8.666015 volume 11400000 weight 1.0 REMARK dnoe: 2.523591 position 8.663166 4.722859 ASSI { 228 } ( attr rmsd >= 4.682859 and attr rmsd <= 4.762859 ) (( attr rmsd >= 8.623166 and attr rmsd <= 8.703166 ) and bondedto ( attr rmsd >= 124.3377 and attr rmsd <= 125.1377 )) 3.0 3.0 0.5999999 peak 228 ppm1 4.722859 ppm2 8.663166 volume 63800000 weight 1.0 REMARK dnoe: 2.691996 position 8.662698 4.253938 ASSI { 229 } ( attr rmsd >= 4.213938 and attr rmsd <= 4.293938 ) (( attr rmsd >= 8.622698 and attr rmsd <= 8.702698 ) and bondedto ( attr rmsd >= 124.3299 and attr rmsd <= 125.1299 )) 3.0 3.0 0.5999999 peak 229 ppm1 4.253938 ppm2 8.662698 volume 43300000 weight 1.0 REMARK dnoe: 2.685828 position 8.671583 1.536936 ASSI { 230 } ( attr rmsd >= 1.496936 and attr rmsd <= 1.576936 ) (( attr rmsd >= 8.631583 and attr rmsd <= 8.711583 ) and bondedto ( attr rmsd >= 124.3364 and attr rmsd <= 125.1364 )) 3.0 3.0 0.5999999 peak 230 ppm1 1.536936 ppm2 8.671583 volume 43900000 weight 1.0 REMARK dnoe: 3.004561 position 8.668113 1.069445 ASSI { 231 } ( attr rmsd >= 1.029445 and attr rmsd <= 1.109445 ) (( attr rmsd >= 8.628113 and attr rmsd <= 8.708113 ) and bondedto ( attr rmsd >= 124.3213 and attr rmsd <= 125.1213 )) 3.6 3.6 1.4 peak 231 ppm1 1.069445 ppm2 8.668113 volume 22400000 weight 1.0 REMARK dnoe: 3.771058 position 8.671677 0.4095664 ASSI { 232 } ( attr rmsd >= 0.3695664 and attr rmsd <= 0.4495664 ) (( attr rmsd >= 8.631677 and attr rmsd <= 8.711677 ) and bondedto ( attr rmsd >= 124.3567 and attr rmsd <= 125.1567 )) 4.2 4.2 1.8 peak 232 ppm1 0.4095664 ppm2 8.671677 volume 5730000 weight 1.0 REMARK dnoe: 3.253268 position 8.662592 -0.2001877 ASSI { 233 } ( attr rmsd >= -0.2401877 and attr rmsd <= -0.1601877 ) (( attr rmsd >= 8.622592 and attr rmsd <= 8.702592 ) and bondedto ( attr rmsd >= 124.319 and attr rmsd <= 125.119 )) 3.6 3.6 1.4 peak 233 ppm1 -0.2001877 ppm2 8.662592 volume 13900000 weight 1.0 REMARK dnoe: 2.586794 position 8.665804 1.781067 ASSI { 234 } ( attr rmsd >= 1.741067 and attr rmsd <= 1.821067 ) (( attr rmsd >= 8.625804 and attr rmsd <= 8.705804 ) and bondedto ( attr rmsd >= 124.3364 and attr rmsd <= 125.1364 )) 3.0 3.0 0.5999999 peak 234 ppm1 1.781067 ppm2 8.665804 volume 55000000 weight 1.0 REMARK dnoe: 3.553831 position 8.675932 0.7490947 ASSI { 235 } ( attr rmsd >= 0.7090947 and attr rmsd <= 0.7890947 ) (( attr rmsd >= 8.635932 and attr rmsd <= 8.715932 ) and bondedto ( attr rmsd >= 124.3596 and attr rmsd <= 125.1596 )) 3.6 3.6 1.4 peak 235 ppm1 0.7490947 ppm2 8.675932 volume 8180000 weight 1.0 REMARK dnoe: 3.684185 position 8.715964 7.162836 ASSI { 236 } ( attr rmsd >= 7.122836 and attr rmsd <= 7.202836 ) (( attr rmsd >= 8.675964 and attr rmsd <= 8.755964 ) and bondedto ( attr rmsd >= 111.0229 and attr rmsd <= 111.8229 )) 4.2 4.2 1.8 peak 236 ppm1 7.162836 ppm2 8.715964 volume 6590000 weight 1.0 REMARK dnoe: 2.912472 position 8.716762 4.48351 ASSI { 237 } ( attr rmsd >= 4.44351 and attr rmsd <= 4.52351 ) (( attr rmsd >= 8.676762 and attr rmsd <= 8.756762 ) and bondedto ( attr rmsd >= 111.038 and attr rmsd <= 111.838 )) 3.0 3.0 0.5999999 peak 237 ppm1 4.48351 ppm2 8.716762 volume 27000002 weight 1.0 REMARK dnoe: 3.145919 position 8.722575 4.092567 ASSI { 238 } ( attr rmsd >= 4.052567 and attr rmsd <= 4.132567 ) (( attr rmsd >= 8.682575 and attr rmsd <= 8.762575 ) and bondedto ( attr rmsd >= 111.0403 and attr rmsd <= 111.8403 )) 3.6 3.6 1.4 peak 238 ppm1 4.092567 ppm2 8.722575 volume 17000000 weight 1.0 REMARK dnoe: 3.110358 position 8.710958 3.602077 ASSI { 239 } ( attr rmsd >= 3.562077 and attr rmsd <= 3.642077 ) (( attr rmsd >= 8.670958 and attr rmsd <= 8.750957 ) and bondedto ( attr rmsd >= 111.039 and attr rmsd <= 111.839 )) 3.6 3.6 1.4 peak 239 ppm1 3.602077 ppm2 8.710958 volume 18200000 weight 1.0 REMARK dnoe: 3.403596 position 8.712893 2.218736 ASSI { 240 } ( attr rmsd >= 2.178736 and attr rmsd <= 2.258736 ) (( attr rmsd >= 8.672893 and attr rmsd <= 8.752892 ) and bondedto ( attr rmsd >= 111.0433 and attr rmsd <= 111.8433 )) 3.6 3.6 1.4 peak 240 ppm1 2.218736 ppm2 8.712893 volume 10600000 weight 1.0 REMARK dnoe: 3.635292 position 8.710958 1.912171 ASSI { 241 } ( attr rmsd >= 1.872171 and attr rmsd <= 1.952171 ) (( attr rmsd >= 8.670958 and attr rmsd <= 8.750957 ) and bondedto ( attr rmsd >= 111.0657 and attr rmsd <= 111.8657 )) 4.2 4.2 1.8 peak 241 ppm1 1.912171 ppm2 8.710958 volume 7140000 weight 1.0 REMARK dnoe: 3.827664 position 8.709024 1.161115 ASSI { 242 } ( attr rmsd >= 1.121115 and attr rmsd <= 1.201115 ) (( attr rmsd >= 8.669024 and attr rmsd <= 8.749024 ) and bondedto ( attr rmsd >= 111.0761 and attr rmsd <= 111.8761 )) 4.2 4.2 1.8 peak 242 ppm1 1.161115 ppm2 8.709024 volume 5240000 weight 1.0 REMARK dnoe: 3.403596 position 7.137843 8.708907 ASSI { 243 } ( attr rmsd >= 8.668907 and attr rmsd <= 8.748907 ) (( attr rmsd >= 7.097843 and attr rmsd <= 7.177843 ) and bondedto ( attr rmsd >= 121.1749 and attr rmsd <= 121.9749 )) 3.6 3.6 1.4 peak 243 ppm1 8.708907 ppm2 7.137843 volume 10600000 weight 1.0 REMARK dnoe: 3.609632 position 7.137832 8.149981 ASSI { 244 } ( attr rmsd >= 8.109981 and attr rmsd <= 8.189981 ) (( attr rmsd >= 7.097832 and attr rmsd <= 7.177832 ) and bondedto ( attr rmsd >= 121.1841 and attr rmsd <= 121.9841 )) 4.2 4.2 1.8 peak 244 ppm1 8.149981 ppm2 7.137832 volume 7450000 weight 1.0 REMARK dnoe: 3.554556 position 7.138359 6.858264 ASSI { 245 } ( attr rmsd >= 6.818264 and attr rmsd <= 6.898264 ) (( attr rmsd >= 7.098359 and attr rmsd <= 7.178359 ) and bondedto ( attr rmsd >= 121.1958 and attr rmsd <= 121.9958 )) 3.6 3.6 1.4 peak 245 ppm1 6.858264 ppm2 7.138359 volume 0.817e+07 weight 1.0 REMARK dnoe: 3.61044 position 7.141232 4.447428 ASSI { 246 } ( attr rmsd >= 4.407428 and attr rmsd <= 4.487428 ) (( attr rmsd >= 7.101232 and attr rmsd <= 7.181232 ) and bondedto ( attr rmsd >= 121.1733 and attr rmsd <= 121.9733 )) 4.2 4.2 1.8 peak 246 ppm1 4.447428 ppm2 7.141232 volume 7440000 weight 1.0 REMARK dnoe: 3.01132 position 7.136484 4.080586 ASSI { 247 } ( attr rmsd >= 4.040586 and attr rmsd <= 4.120586 ) (( attr rmsd >= 7.096484 and attr rmsd <= 7.176484 ) and bondedto ( attr rmsd >= 121.1673 and attr rmsd <= 121.9673 )) 3.6 3.6 1.4 peak 247 ppm1 4.080586 ppm2 7.136484 volume 22100000 weight 1.0 REMARK dnoe: 2.754855 position 7.138312 3.832727 ASSI { 248 } ( attr rmsd >= 3.792727 and attr rmsd <= 3.872727 ) (( attr rmsd >= 7.098312 and attr rmsd <= 7.178312 ) and bondedto ( attr rmsd >= 121.1694 and attr rmsd <= 121.9694 )) 3.0 3.0 0.5999999 peak 248 ppm1 3.832727 ppm2 7.138312 volume 37700000 weight 1.0 REMARK dnoe: 3.324776 position 7.138301 3.598396 ASSI { 249 } ( attr rmsd >= 3.558396 and attr rmsd <= 3.638396 ) (( attr rmsd >= 7.098301 and attr rmsd <= 7.178301 ) and bondedto ( attr rmsd >= 121.1618 and attr rmsd <= 121.9618 )) 3.6 3.6 1.4 peak 249 ppm1 3.598396 ppm2 7.138301 volume 12200000 weight 1.0 REMARK dnoe: 2.559604 position 7.138758 1.863312 ASSI { 250 } ( attr rmsd >= 1.823312 and attr rmsd <= 1.903312 ) (( attr rmsd >= 7.098758 and attr rmsd <= 7.178758 ) and bondedto ( attr rmsd >= 121.1745 and attr rmsd <= 121.9745 )) 3.0 3.0 0.5999999 peak 250 ppm1 1.863312 ppm2 7.138758 volume 58600004 weight 1.0 REMARK dnoe: 3.724845 position 7.137433 1.160037 ASSI { 251 } ( attr rmsd >= 1.120037 and attr rmsd <= 1.200037 ) (( attr rmsd >= 7.097433 and attr rmsd <= 7.177433 ) and bondedto ( attr rmsd >= 121.1394 and attr rmsd <= 121.9394 )) 4.2 4.2 1.8 peak 251 ppm1 1.160037 ppm2 7.137433 volume 6170000 weight 1.0 REMARK dnoe: 2.600366 position 7.138558 0.7147479 ASSI { 252 } ( attr rmsd >= 0.6747479 and attr rmsd <= 0.7547479 ) (( attr rmsd >= 7.098558 and attr rmsd <= 7.178558 ) and bondedto ( attr rmsd >= 121.1757 and attr rmsd <= 121.9757 )) 3.0 3.0 0.5999999 peak 252 ppm1 0.7147479 ppm2 7.138558 volume 53300000 weight 1.0 REMARK dnoe: 3.124833 position 7.138618 0.1049705 ASSI { 253 } ( attr rmsd >= 0.0649705 and attr rmsd <= 0.1449705 ) (( attr rmsd >= 7.098618 and attr rmsd <= 7.178618 ) and bondedto ( attr rmsd >= 121.1796 and attr rmsd <= 121.9796 )) 3.6 3.6 1.4 peak 253 ppm1 0.1049705 ppm2 7.138618 volume 17700000 weight 1.0 REMARK dnoe: 2.762231 position 8.116608 4.063073 ASSI { 254 } ( attr rmsd >= 4.023073 and attr rmsd <= 4.103073 ) (( attr rmsd >= 8.076608 and attr rmsd <= 8.156608 ) and bondedto ( attr rmsd >= 125.5628 and attr rmsd <= 126.3628 )) 3.0 3.0 0.5999999 peak 254 ppm1 4.063073 ppm2 8.116608 volume 37100000 weight 1.0 REMARK dnoe: 2.387841 position 8.111614 3.840511 ASSI { 255 } ( attr rmsd >= 3.800511 and attr rmsd <= 3.880511 ) (( attr rmsd >= 8.071614 and attr rmsd <= 8.151614 ) and bondedto ( attr rmsd >= 125.5491 and attr rmsd <= 126.3491 )) 2.5 2.5 0.2 peak 255 ppm1 3.840511 ppm2 8.111614 volume 88900000 weight 1.0 REMARK dnoe: 2.686849 position 8.111614 1.723745 ASSI { 256 } ( attr rmsd >= 1.683745 and attr rmsd <= 1.763745 ) (( attr rmsd >= 8.071614 and attr rmsd <= 8.151614 ) and bondedto ( attr rmsd >= 125.5446 and attr rmsd <= 126.3446 )) 3.0 3.0 0.5999999 peak 256 ppm1 1.723745 ppm2 8.111614 volume 43800000 weight 1.0 REMARK dnoe: 2.50309 position 8.119104 0.7593403 ASSI { 257 } ( attr rmsd >= 0.7193403 and attr rmsd <= 0.7993403 ) (( attr rmsd >= 8.079104 and attr rmsd <= 8.159104 ) and bondedto ( attr rmsd >= 125.5468 and attr rmsd <= 126.3468 )) 3.0 3.0 0.5999999 peak 257 ppm1 0.7593403 ppm2 8.119104 volume 67000000 weight 1.0 REMARK dnoe: 2.850795 position 8.121602 0.1064944 ASSI { 258 } ( attr rmsd >= 0.0664944 and attr rmsd <= 0.1464944 ) (( attr rmsd >= 8.081602 and attr rmsd <= 8.161602 ) and bondedto ( attr rmsd >= 125.5589 and attr rmsd <= 126.3589 )) 3.0 3.0 0.5999999 peak 258 ppm1 0.1064944 ppm2 8.121602 volume 30700002 weight 1.0 REMARK dnoe: 3.348046 position 9.234987 6.885201 ASSI { 259 } ( attr rmsd >= 6.845201 and attr rmsd <= 6.925201 ) (( attr rmsd >= 9.194987 and attr rmsd <= 9.274987 ) and bondedto ( attr rmsd >= 128.2742 and attr rmsd <= 129.0742 )) 3.6 3.6 1.4 peak 259 ppm1 6.885201 ppm2 9.234987 volume 11700000 weight 1.0 REMARK dnoe: 3.027518 position 9.237179 6.578637 ASSI { 260 } ( attr rmsd >= 6.538637 and attr rmsd <= 6.618637 ) (( attr rmsd >= 9.197179 and attr rmsd <= 9.277179 ) and bondedto ( attr rmsd >= 128.2818 and attr rmsd <= 129.0818 )) 3.6 3.6 1.4 peak 260 ppm1 6.578637 ppm2 9.237179 volume 21400000 weight 1.0 REMARK dnoe: 4.056225 position 9.237179 8.126185 ASSI { 261 } ( attr rmsd >= 8.086185 and attr rmsd <= 8.166185 ) (( attr rmsd >= 9.197179 and attr rmsd <= 9.277179 ) and bondedto ( attr rmsd >= 128.2266 and attr rmsd <= 129.0266 )) 4.2 4.2 1.8 peak 261 ppm1 8.126185 ppm2 9.237179 volume 3700000 weight 1.0 REMARK dnoe: 3.049276 position 9.237179 9.492177 ASSI { 262 } ( attr rmsd >= 9.452177 and attr rmsd <= 9.532177 ) (( attr rmsd >= 9.197179 and attr rmsd <= 9.277179 ) and bondedto ( attr rmsd >= 128.2418 and attr rmsd <= 129.0418 )) 3.6 3.6 1.4 peak 262 ppm1 9.492177 ppm2 9.237179 volume 20500000 weight 1.0 REMARK dnoe: 3.750611 position 9.236885 4.990482 ASSI { 263 } ( attr rmsd >= 4.950482 and attr rmsd <= 5.030482 ) (( attr rmsd >= 9.196885 and attr rmsd <= 9.276885 ) and bondedto ( attr rmsd >= 128.2318 and attr rmsd <= 129.0318 )) 4.2 4.2 1.8 peak 263 ppm1 4.990482 ppm2 9.236885 volume 5920000 weight 1.0 REMARK dnoe: 3.171294 position 9.229454 4.418849 ASSI { 264 } ( attr rmsd >= 4.378849 and attr rmsd <= 4.458849 ) (( attr rmsd >= 9.189454 and attr rmsd <= 9.269454 ) and bondedto ( attr rmsd >= 128.2467 and attr rmsd <= 129.0467 )) 3.6 3.6 1.4 peak 264 ppm1 4.418849 ppm2 9.229454 volume 16200000 weight 1.0 REMARK dnoe: 2.563998 position 9.234236 4.037471 ASSI { 265 } ( attr rmsd >= 3.997471 and attr rmsd <= 4.077471 ) (( attr rmsd >= 9.194236 and attr rmsd <= 9.274236 ) and bondedto ( attr rmsd >= 128.2449 and attr rmsd <= 129.0449 )) 3.0 3.0 0.5999999 peak 265 ppm1 4.037471 ppm2 9.234236 volume 58000000 weight 1.0 REMARK dnoe: 3.168043 position 9.236628 2.073284 ASSI { 266 } ( attr rmsd >= 2.033284 and attr rmsd <= 2.113284 ) (( attr rmsd >= 9.196628 and attr rmsd <= 9.276628 ) and bondedto ( attr rmsd >= 128.2342 and attr rmsd <= 129.0342 )) 3.6 3.6 1.4 peak 266 ppm1 2.073284 ppm2 9.236628 volume 16300000 weight 1.0 REMARK dnoe: 3.277281 position 9.226418 1.711788 ASSI { 267 } ( attr rmsd >= 1.671788 and attr rmsd <= 1.751788 ) (( attr rmsd >= 9.186418 and attr rmsd <= 9.266418 ) and bondedto ( attr rmsd >= 128.2742 and attr rmsd <= 129.0742 )) 3.6 3.6 1.4 peak 267 ppm1 1.711788 ppm2 9.226418 volume 13300000 weight 1.0 REMARK dnoe: 3.006802 position 9.233685 1.181605 ASSI { 268 } ( attr rmsd >= 1.141605 and attr rmsd <= 1.221605 ) (( attr rmsd >= 9.193685 and attr rmsd <= 9.273685 ) and bondedto ( attr rmsd >= 128.2394 and attr rmsd <= 129.0394 )) 3.6 3.6 1.4 peak 268 ppm1 1.181605 ppm2 9.233685 volume 22300000 weight 1.0 REMARK dnoe: 2.528903 position 9.23283 0.7876382 ASSI { 269 } ( attr rmsd >= 0.7476382 and attr rmsd <= 0.8276382 ) (( attr rmsd >= 9.19283 and attr rmsd <= 9.27283 ) and bondedto ( attr rmsd >= 128.2398 and attr rmsd <= 129.0398 )) 3.0 3.0 0.5999999 peak 269 ppm1 0.7876382 ppm2 9.23283 volume 63000000 weight 1.0 REMARK dnoe: 3.145919 position 9.041285 6.585928 ASSI { 270 } ( attr rmsd >= 6.545928 and attr rmsd <= 6.625928 ) (( attr rmsd >= 9.001285 and attr rmsd <= 9.081285 ) and bondedto ( attr rmsd >= 118.368 and attr rmsd <= 119.168 )) 3.6 3.6 1.4 peak 270 ppm1 6.585928 ppm2 9.041285 volume 17000000 weight 1.0 REMARK dnoe: 3.44899 position 9.028425 6.896971 ASSI { 271 } ( attr rmsd >= 6.856971 and attr rmsd <= 6.936971 ) (( attr rmsd >= 8.988425 and attr rmsd <= 9.068425 ) and bondedto ( attr rmsd >= 118.3478 and attr rmsd <= 119.1478 )) 3.6 3.6 1.4 peak 271 ppm1 6.896971 ppm2 9.028425 volume 9790000 weight 1.0 REMARK dnoe: 3.198175 position 9.037628 8.784962 ASSI { 272 } ( attr rmsd >= 8.744962 and attr rmsd <= 8.824962 ) (( attr rmsd >= 8.997628 and attr rmsd <= 9.077628 ) and bondedto ( attr rmsd >= 118.3879 and attr rmsd <= 119.1879 )) 3.6 3.6 1.4 peak 272 ppm1 8.784962 ppm2 9.037628 volume 15400000 weight 1.0 REMARK dnoe: 3.315778 position 9.039995 5.192366 ASSI { 274 } ( attr rmsd >= 5.152366 and attr rmsd <= 5.232366 ) (( attr rmsd >= 8.999995 and attr rmsd <= 9.079995 ) and bondedto ( attr rmsd >= 118.3539 and attr rmsd <= 119.1539 )) 3.6 3.6 1.4 peak 274 ppm1 5.192366 ppm2 9.039995 volume 12400000 weight 1.0 REMARK dnoe: 2.721038 position 9.037148 4.418802 ASSI { 275 } ( attr rmsd >= 4.378802 and attr rmsd <= 4.458802 ) (( attr rmsd >= 8.997149 and attr rmsd <= 9.077148 ) and bondedto ( attr rmsd >= 118.3334 and attr rmsd <= 119.1334 )) 3.0 3.0 0.5999999 peak 275 ppm1 4.418802 ppm2 9.037148 volume 40600000 weight 1.0 REMARK dnoe: 2.974355 position 9.039995 3.978765 ASSI { 276 } ( attr rmsd >= 3.938765 and attr rmsd <= 4.018765 ) (( attr rmsd >= 8.999995 and attr rmsd <= 9.079995 ) and bondedto ( attr rmsd >= 118.3252 and attr rmsd <= 119.1252 )) 3.0 3.0 0.5999999 peak 276 ppm1 3.978765 ppm2 9.039995 volume 23800000 weight 1.0 REMARK dnoe: 2.524911 position 9.039995 2.125356 ASSI { 277 } ( attr rmsd >= 2.085356 and attr rmsd <= 2.165356 ) (( attr rmsd >= 8.999995 and attr rmsd <= 9.079995 ) and bondedto ( attr rmsd >= 118.3361 and attr rmsd <= 119.1361 )) 3.0 3.0 0.5999999 peak 277 ppm1 2.125356 ppm2 9.039995 volume 63599996 weight 1.0 REMARK dnoe: 3.116092 position 9.039995 0.8101923 ASSI { 278 } ( attr rmsd >= 0.7701923 and attr rmsd <= 0.8501923 ) (( attr rmsd >= 8.999995 and attr rmsd <= 9.079995 ) and bondedto ( attr rmsd >= 118.3109 and attr rmsd <= 119.1109 )) 3.6 3.6 1.4 peak 278 ppm1 0.8101923 ppm2 9.039995 volume 18000000 weight 1.0 REMARK dnoe: 3.174568 position 9.039995 1.257051 ASSI { 279 } ( attr rmsd >= 1.217051 and attr rmsd <= 1.297051 ) (( attr rmsd >= 8.999995 and attr rmsd <= 9.079995 ) and bondedto ( attr rmsd >= 118.3275 and attr rmsd <= 119.1275 )) 3.6 3.6 1.4 peak 279 ppm1 1.257051 ppm2 9.039995 volume 16100000 weight 1.0 REMARK dnoe: 3.493824 position 9.04513 1.521087 ASSI { 280 } ( attr rmsd >= 1.481087 and attr rmsd <= 1.561087 ) (( attr rmsd >= 9.00513 and attr rmsd <= 9.08513 ) and bondedto ( attr rmsd >= 118.3416 and attr rmsd <= 119.1416 )) 3.6 3.6 1.4 peak 280 ppm1 1.521087 ppm2 9.04513 volume 9060000 weight 1.0 REMARK dnoe: 3.338601 position 9.260213 8.005795 ASSI { 281 } ( attr rmsd >= 7.965795 and attr rmsd <= 8.045794 ) (( attr rmsd >= 9.220213 and attr rmsd <= 9.300213 ) and bondedto ( attr rmsd >= 108.4881 and attr rmsd <= 109.2881 )) 3.6 3.6 1.4 peak 281 ppm1 8.005795 ppm2 9.260213 volume 11900000 weight 1.0 REMARK dnoe: 2.910678 position 9.259604 6.903278 ASSI { 282 } ( attr rmsd >= 6.863278 and attr rmsd <= 6.943278 ) (( attr rmsd >= 9.219604 and attr rmsd <= 9.299604 ) and bondedto ( attr rmsd >= 108.4912 and attr rmsd <= 109.2912 )) 3.0 3.0 0.5999999 peak 282 ppm1 6.903278 ppm2 9.259604 volume 27100000 weight 1.0 REMARK dnoe: 2.752427 position 9.25938 5.942742 ASSI { 283 } ( attr rmsd >= 5.902742 and attr rmsd <= 5.982742 ) (( attr rmsd >= 9.21938 and attr rmsd <= 9.29938 ) and bondedto ( attr rmsd >= 108.4898 and attr rmsd <= 109.2898 )) 3.0 3.0 0.5999999 peak 283 ppm1 5.942742 ppm2 9.25938 volume 37900000 weight 1.0 REMARK dnoe: 2.502468 position 9.259417 5.169296 ASSI { 284 } ( attr rmsd >= 5.129296 and attr rmsd <= 5.209296 ) (( attr rmsd >= 9.219417 and attr rmsd <= 9.299417 ) and bondedto ( attr rmsd >= 108.4947 and attr rmsd <= 109.2947 )) 3.0 3.0 0.5999999 peak 284 ppm1 5.169296 ppm2 9.259417 volume 67100000 weight 1.0 REMARK dnoe: 3.561124 position 9.260682 3.276569 ASSI { 285 } ( attr rmsd >= 3.236569 and attr rmsd <= 3.316569 ) (( attr rmsd >= 9.220682 and attr rmsd <= 9.300682 ) and bondedto ( attr rmsd >= 108.4859 and attr rmsd <= 109.2859 )) 3.6 3.6 1.4 peak 285 ppm1 3.276569 ppm2 9.260682 volume 8080001 weight 1.0 REMARK dnoe: 2.942276 position 9.260682 3.019285 ASSI { 286 } ( attr rmsd >= 2.979285 and attr rmsd <= 3.059285 ) (( attr rmsd >= 9.220682 and attr rmsd <= 9.300682 ) and bondedto ( attr rmsd >= 108.4963 and attr rmsd <= 109.2963 )) 3.0 3.0 0.5999999 peak 286 ppm1 3.019285 ppm2 9.260682 volume 25400000 weight 1.0 REMARK dnoe: 3.762354 position 9.251703 2.571229 ASSI { 287 } ( attr rmsd >= 2.531229 and attr rmsd <= 2.611229 ) (( attr rmsd >= 9.211703 and attr rmsd <= 9.291703 ) and bondedto ( attr rmsd >= 108.4683 and attr rmsd <= 109.2683 )) 4.2 4.2 1.8 peak 287 ppm1 2.571229 ppm2 9.251703 volume 0.581e+07 weight 1.0 REMARK dnoe: 2.805452 position 9.262933 2.052231 ASSI { 288 } ( attr rmsd >= 2.012231 and attr rmsd <= 2.092231 ) (( attr rmsd >= 9.222933 and attr rmsd <= 9.302933 ) and bondedto ( attr rmsd >= 108.4861 and attr rmsd <= 109.2861 )) 3.0 3.0 0.5999999 peak 288 ppm1 2.052231 ppm2 9.262933 volume 33800000 weight 1.0 REMARK dnoe: 3.815623 position 9.274162 1.213819 ASSI { 289 } ( attr rmsd >= 1.173819 and attr rmsd <= 1.253819 ) (( attr rmsd >= 9.234162 and attr rmsd <= 9.314162 ) and bondedto ( attr rmsd >= 108.534 and attr rmsd <= 109.334 )) 4.2 4.2 1.8 peak 289 ppm1 1.213819 ppm2 9.274162 volume 5340000 weight 1.0 REMARK dnoe: 3.844979 position 9.274162 0.765764 ASSI { 290 } ( attr rmsd >= 0.725764 and attr rmsd <= 0.805764 ) (( attr rmsd >= 9.234162 and attr rmsd <= 9.314162 ) and bondedto ( attr rmsd >= 108.5176 and attr rmsd <= 109.3176 )) 4.2 4.2 1.8 peak 290 ppm1 0.765764 ppm2 9.274162 volume 5100000 weight 1.0 REMARK dnoe: 2.921559 position 9.202 6.880583 ASSI { 291 } ( attr rmsd >= 6.840583 and attr rmsd <= 6.920583 ) (( attr rmsd >= 9.162 and attr rmsd <= 9.242 ) and bondedto ( attr rmsd >= 119.252 and attr rmsd <= 120.052 )) 3.0 3.0 0.5999999 peak 291 ppm1 6.880583 ppm2 9.202 volume 26499998 weight 1.0 REMARK dnoe: 3.03465 position 9.210158 6.643556 ASSI { 292 } ( attr rmsd >= 6.603556 and attr rmsd <= 6.683556 ) (( attr rmsd >= 9.170158 and attr rmsd <= 9.250158 ) and bondedto ( attr rmsd >= 119.3465 and attr rmsd <= 120.1465 )) 3.6 3.6 1.4 peak 292 ppm1 6.643556 ppm2 9.210158 volume 21100000 weight 1.0 REMARK dnoe: 2.719923 position 9.212152 5.87243 ASSI { 293 } ( attr rmsd >= 5.83243 and attr rmsd <= 5.91243 ) (( attr rmsd >= 9.172152 and attr rmsd <= 9.252151 ) and bondedto ( attr rmsd >= 119.2438 and attr rmsd <= 120.0438 )) 3.0 3.0 0.5999999 peak 293 ppm1 5.87243 ppm2 9.212152 volume 40700000 weight 1.0 REMARK dnoe: 3.549505 position 9.211647 5.404635 ASSI { 294 } ( attr rmsd >= 5.364635 and attr rmsd <= 5.444635 ) (( attr rmsd >= 9.171647 and attr rmsd <= 9.251647 ) and bondedto ( attr rmsd >= 119.2865 and attr rmsd <= 120.0865 )) 3.6 3.6 1.4 peak 294 ppm1 5.404635 ppm2 9.211647 volume 8240000 weight 1.0 REMARK dnoe: 3.362571 position 9.214168 4.983237 ASSI { 295 } ( attr rmsd >= 4.943237 and attr rmsd <= 5.023237 ) (( attr rmsd >= 9.174168 and attr rmsd <= 9.254168 ) and bondedto ( attr rmsd >= 119.2635 and attr rmsd <= 120.0635 )) 3.6 3.6 1.4 peak 295 ppm1 4.983237 ppm2 9.214168 volume 11400000 weight 1.0 REMARK dnoe: 2.772285 position 9.211753 3.011876 ASSI { 296 } ( attr rmsd >= 2.971876 and attr rmsd <= 3.051876 ) (( attr rmsd >= 9.171753 and attr rmsd <= 9.251753 ) and bondedto ( attr rmsd >= 119.2627 and attr rmsd <= 120.0627 )) 3.0 3.0 0.5999999 peak 296 ppm1 3.011876 ppm2 9.211753 volume 36300000 weight 1.0 REMARK dnoe: 2.936523 position 9.212315 1.88617 ASSI { 297 } ( attr rmsd >= 1.84617 and attr rmsd <= 1.92617 ) (( attr rmsd >= 9.172315 and attr rmsd <= 9.252315 ) and bondedto ( attr rmsd >= 119.2397 and attr rmsd <= 120.0397 )) 3.0 3.0 0.5999999 peak 297 ppm1 1.88617 ppm2 9.212315 volume 25700000 weight 1.0 REMARK dnoe: 2.703566 position 9.212128 1.534991 ASSI { 298 } ( attr rmsd >= 1.494991 and attr rmsd <= 1.574991 ) (( attr rmsd >= 9.172128 and attr rmsd <= 9.252128 ) and bondedto ( attr rmsd >= 119.2522 and attr rmsd <= 120.0522 )) 3.0 3.0 0.5999999 peak 298 ppm1 1.534991 ppm2 9.212128 volume 42200000 weight 1.0 REMARK dnoe: 3.226737 position 9.212808 0.9547768 ASSI { 299 } ( attr rmsd >= 0.9147768 and attr rmsd <= 0.9947768 ) (( attr rmsd >= 9.172808 and attr rmsd <= 9.252808 ) and bondedto ( attr rmsd >= 119.2346 and attr rmsd <= 120.0346 )) 3.6 3.6 1.4 peak 299 ppm1 0.9547768 ppm2 9.212808 volume 14600000 weight 1.0 REMARK dnoe: 3.302593 position 9.215094 0.7201643 ASSI { 300 } ( attr rmsd >= 0.6801643 and attr rmsd <= 0.7601643 ) (( attr rmsd >= 9.175094 and attr rmsd <= 9.255094 ) and bondedto ( attr rmsd >= 119.2459 and attr rmsd <= 120.0459 )) 3.6 3.6 1.4 peak 300 ppm1 0.7201643 ppm2 9.215094 volume 12700000 weight 1.0 REMARK dnoe: 3.059306 position 9.218341 6.876715 ASSI { 302 } ( attr rmsd >= 6.836715 and attr rmsd <= 6.916715 ) (( attr rmsd >= 9.178341 and attr rmsd <= 9.258341 ) and bondedto ( attr rmsd >= 124.9366 and attr rmsd <= 125.7366 )) 3.6 3.6 1.4 peak 302 ppm1 6.876715 ppm2 9.218341 volume 20100000 weight 1.0 REMARK dnoe: 3.447232 position 9.225386 5.357558 ASSI { 303 } ( attr rmsd >= 5.317558 and attr rmsd <= 5.397558 ) (( attr rmsd >= 9.185386 and attr rmsd <= 9.265386 ) and bondedto ( attr rmsd >= 124.9065 and attr rmsd <= 125.7065 )) 3.6 3.6 1.4 peak 303 ppm1 5.357558 ppm2 9.225386 volume 9820000 weight 1.0 REMARK dnoe: 2.706782 position 9.213687 4.98108 ASSI { 304 } ( attr rmsd >= 4.94108 and attr rmsd <= 5.02108 ) (( attr rmsd >= 9.173687 and attr rmsd <= 9.253687 ) and bondedto ( attr rmsd >= 124.9141 and attr rmsd <= 125.7141 )) 3.0 3.0 0.5999999 peak 304 ppm1 4.98108 ppm2 9.213687 volume 41900000 weight 1.0 REMARK dnoe: 2.991353 position 9.226452 2.007052 ASSI { 305 } ( attr rmsd >= 1.967052 and attr rmsd <= 2.047052 ) (( attr rmsd >= 9.186452 and attr rmsd <= 9.266452 ) and bondedto ( attr rmsd >= 124.8946 and attr rmsd <= 125.6946 )) 3.0 3.0 0.5999999 peak 305 ppm1 2.007052 ppm2 9.226452 volume 23000000 weight 1.0 REMARK dnoe: 3.03947 position 9.226452 1.515507 ASSI { 306 } ( attr rmsd >= 1.475507 and attr rmsd <= 1.555507 ) (( attr rmsd >= 9.186452 and attr rmsd <= 9.266452 ) and bondedto ( attr rmsd >= 124.9073 and attr rmsd <= 125.7073 )) 3.6 3.6 1.4 peak 306 ppm1 1.515507 ppm2 9.226452 volume 20900000 weight 1.0 REMARK dnoe: 2.974355 position 9.214472 1.280285 ASSI { 307 } ( attr rmsd >= 1.240285 and attr rmsd <= 1.320285 ) (( attr rmsd >= 9.174472 and attr rmsd <= 9.254472 ) and bondedto ( attr rmsd >= 124.9139 and attr rmsd <= 125.7139 )) 3.0 3.0 0.5999999 peak 307 ppm1 1.280285 ppm2 9.214472 volume 23800000 weight 1.0 REMARK dnoe: 3.056777 position 9.21847 0.7423899 ASSI { 308 } ( attr rmsd >= 0.7023899 and attr rmsd <= 0.7823899 ) (( attr rmsd >= 9.17847 and attr rmsd <= 9.25847 ) and bondedto ( attr rmsd >= 124.9188 and attr rmsd <= 125.7188 )) 3.6 3.6 1.4 peak 308 ppm1 0.7423899 ppm2 9.21847 volume 20200000 weight 1.0 REMARK dnoe: 3.110358 position 9.882264 9.206196 ASSI { 309 } ( attr rmsd >= 9.166196 and attr rmsd <= 9.246196 ) (( attr rmsd >= 9.842264 and attr rmsd <= 9.922264 ) and bondedto ( attr rmsd >= 130.1846 and attr rmsd <= 130.9846 )) 3.6 3.6 1.4 peak 309 ppm1 9.206196 ppm2 9.882264 volume 18200000 weight 1.0 REMARK dnoe: 2.726664 position 9.884796 5.384402 ASSI { 310 } ( attr rmsd >= 5.344402 and attr rmsd <= 5.424402 ) (( attr rmsd >= 9.844796 and attr rmsd <= 9.924796 ) and bondedto ( attr rmsd >= 130.1807 and attr rmsd <= 130.9807 )) 3.0 3.0 0.5999999 peak 310 ppm1 5.384402 ppm2 9.884796 volume 40100000 weight 1.0 REMARK dnoe: 3.468756 position 9.872124 4.869178 ASSI { 311 } ( attr rmsd >= 4.829178 and attr rmsd <= 4.909178 ) (( attr rmsd >= 9.832124 and attr rmsd <= 9.912124 ) and bondedto ( attr rmsd >= 130.2186 and attr rmsd <= 131.0186 )) 3.6 3.6 1.4 peak 311 ppm1 4.869178 ppm2 9.872124 volume 9460000 weight 1.0 REMARK dnoe: 2.984899 position 9.881467 1.909874 ASSI { 312 } ( attr rmsd >= 1.869874 and attr rmsd <= 1.949874 ) (( attr rmsd >= 9.841467 and attr rmsd <= 9.921467 ) and bondedto ( attr rmsd >= 130.1725 and attr rmsd <= 130.9725 )) 3.0 3.0 0.5999999 peak 312 ppm1 1.909874 ppm2 9.881467 volume 23300000 weight 1.0 REMARK dnoe: 3.281406 position 9.882991 1.630199 ASSI { 313 } ( attr rmsd >= 1.590199 and attr rmsd <= 1.670199 ) (( attr rmsd >= 9.842991 and attr rmsd <= 9.922991 ) and bondedto ( attr rmsd >= 130.2346 and attr rmsd <= 131.0346 )) 3.6 3.6 1.4 peak 313 ppm1 1.630199 ppm2 9.882991 volume 13200000 weight 1.0 REMARK dnoe: 2.879648 position 9.8855 1.38091 ASSI { 314 } ( attr rmsd >= 1.34091 and attr rmsd <= 1.42091 ) (( attr rmsd >= 9.8455 and attr rmsd <= 9.9255 ) and bondedto ( attr rmsd >= 130.2346 and attr rmsd <= 131.0346 )) 3.0 3.0 0.5999999 peak 314 ppm1 1.38091 ppm2 9.8855 volume 28900000 weight 1.0 REMARK dnoe: 3.181189 position 9.895546 0.9754548 ASSI { 315 } ( attr rmsd >= 0.9354548 and attr rmsd <= 1.015455 ) (( attr rmsd >= 9.855546 and attr rmsd <= 9.935546 ) and bondedto ( attr rmsd >= 130.243 and attr rmsd <= 131.043 )) 3.6 3.6 1.4 peak 315 ppm1 0.9754548 ppm2 9.895546 volume 15899999 weight 1.0 REMARK dnoe: 2.693033 position 9.882991 0.7196248 ASSI { 316 } ( attr rmsd >= 0.6796248 and attr rmsd <= 0.7596248 ) (( attr rmsd >= 9.842991 and attr rmsd <= 9.922991 ) and bondedto ( attr rmsd >= 130.1874 and attr rmsd <= 130.9874 )) 3.0 3.0 0.5999999 peak 316 ppm1 0.7196248 ppm2 9.882991 volume 43200000 weight 1.0 REMARK dnoe: 3.223068 position 9.083474 8.35611 ASSI { 317 } ( attr rmsd >= 8.31611 and attr rmsd <= 8.39611 ) (( attr rmsd >= 9.043474 and attr rmsd <= 9.123474 ) and bondedto ( attr rmsd >= 122.0216 and attr rmsd <= 122.8216 )) 3.6 3.6 1.4 peak 317 ppm1 8.35611 ppm2 9.083474 volume 14700000 weight 1.0 REMARK dnoe: 2.395995 position 9.084295 4.871475 ASSI { 318 } ( attr rmsd >= 4.831475 and attr rmsd <= 4.911475 ) (( attr rmsd >= 9.044295 and attr rmsd <= 9.124295 ) and bondedto ( attr rmsd >= 121.9997 and attr rmsd <= 122.7997 )) 2.5 2.5 0.2 peak 318 ppm1 4.871475 ppm2 9.084295 volume 87100000 weight 1.0 REMARK dnoe: 2.874696 position 9.084295 3.721036 ASSI { 319 } ( attr rmsd >= 3.681036 and attr rmsd <= 3.761036 ) (( attr rmsd >= 9.044295 and attr rmsd <= 9.124295 ) and bondedto ( attr rmsd >= 121.9874 and attr rmsd <= 122.7874 )) 3.0 3.0 0.5999999 peak 319 ppm1 3.721036 ppm2 9.084295 volume 29200000 weight 1.0 REMARK dnoe: 3.000113 position 9.076956 1.887062 ASSI { 320 } ( attr rmsd >= 1.847062 and attr rmsd <= 1.927062 ) (( attr rmsd >= 9.036956 and attr rmsd <= 9.116956 ) and bondedto ( attr rmsd >= 121.9751 and attr rmsd <= 122.7751 )) 3.6 3.6 1.4 peak 320 ppm1 1.887062 ppm2 9.076956 volume 22600000 weight 1.0 REMARK dnoe: 3.544504 position 9.084295 1.376832 ASSI { 321 } ( attr rmsd >= 1.336832 and attr rmsd <= 1.416832 ) (( attr rmsd >= 9.044295 and attr rmsd <= 9.124295 ) and bondedto ( attr rmsd >= 122.0093 and attr rmsd <= 122.8093 )) 3.6 3.6 1.4 peak 321 ppm1 1.376832 ppm2 9.084295 volume 0.831e+07 weight 1.0 REMARK dnoe: 2.750014 position 9.081844 0.6547999 ASSI { 322 } ( attr rmsd >= 0.6147999 and attr rmsd <= 0.6947999 ) (( attr rmsd >= 9.041844 and attr rmsd <= 9.121844 ) and bondedto ( attr rmsd >= 121.9947 and attr rmsd <= 122.7947 )) 3.0 3.0 0.5999999 peak 322 ppm1 0.6547999 ppm2 9.081844 volume 38100000 weight 1.0 REMARK dnoe: 3.3433 position 9.074507 0.9626541 ASSI { 323 } ( attr rmsd >= 0.9226541 and attr rmsd <= 1.002654 ) (( attr rmsd >= 9.034507 and attr rmsd <= 9.114507 ) and bondedto ( attr rmsd >= 122.0228 and attr rmsd <= 122.8228 )) 3.6 3.6 1.4 peak 323 ppm1 0.9626541 ppm2 9.074507 volume 11800000 weight 1.0 REMARK dnoe: 3.215817 position 8.346625 5.496844 ASSI { 324 } ( attr rmsd >= 5.456844 and attr rmsd <= 5.536844 ) (( attr rmsd >= 8.306625 and attr rmsd <= 8.386625 ) and bondedto ( attr rmsd >= 125.6934 and attr rmsd <= 126.4934 )) 3.6 3.6 1.4 peak 324 ppm1 5.496844 ppm2 8.346625 volume 14900000 weight 1.0 REMARK dnoe: 3.298279 position 8.346145 6.856482 ASSI { 325 } ( attr rmsd >= 6.816482 and attr rmsd <= 6.896482 ) (( attr rmsd >= 8.306145 and attr rmsd <= 8.386145 ) and bondedto ( attr rmsd >= 125.7071 and attr rmsd <= 126.5071 )) 3.6 3.6 1.4 peak 325 ppm1 6.856482 ppm2 8.346145 volume 12800001 weight 1.0 REMARK dnoe: 3.639553 position 8.346473 7.713719 ASSI { 326 } ( attr rmsd >= 7.673719 and attr rmsd <= 7.753719 ) (( attr rmsd >= 8.306473 and attr rmsd <= 8.386473 ) and bondedto ( attr rmsd >= 125.6977 and attr rmsd <= 126.4977 )) 4.2 4.2 1.8 peak 326 ppm1 7.713719 ppm2 8.346473 volume 7090000 weight 1.0 REMARK dnoe: 3.575276 position 8.343495 9.191544 ASSI { 327 } ( attr rmsd >= 9.151544 and attr rmsd <= 9.231544 ) (( attr rmsd >= 8.303495 and attr rmsd <= 8.383495 ) and bondedto ( attr rmsd >= 125.8575 and attr rmsd <= 126.6575 )) 3.6 3.6 1.4 peak 327 ppm1 9.191544 ppm2 8.343495 volume 0.789e+07 weight 1.0 REMARK dnoe: 2.466439 position 8.34618 4.74621 ASSI { 328 } ( attr rmsd >= 4.70621 and attr rmsd <= 4.78621 ) (( attr rmsd >= 8.30618 and attr rmsd <= 8.38618 ) and bondedto ( attr rmsd >= 125.6974 and attr rmsd <= 126.4974 )) 2.5 2.5 0.2 peak 328 ppm1 4.74621 ppm2 8.34618 volume 73200000 weight 1.0 REMARK dnoe: 2.982769 position 8.357211 4.289527 ASSI { 329 } ( attr rmsd >= 4.249527 and attr rmsd <= 4.329527 ) (( attr rmsd >= 8.317211 and attr rmsd <= 8.397211 ) and bondedto ( attr rmsd >= 125.6977 and attr rmsd <= 126.4977 )) 3.0 3.0 0.5999999 peak 329 ppm1 4.289527 ppm2 8.357211 volume 23400000 weight 1.0 REMARK dnoe: 3.037054 position 8.356015 3.715644 ASSI { 330 } ( attr rmsd >= 3.675644 and attr rmsd <= 3.755644 ) (( attr rmsd >= 8.316015 and attr rmsd <= 8.396015 ) and bondedto ( attr rmsd >= 125.6932 and attr rmsd <= 126.4932 )) 3.6 3.6 1.4 peak 330 ppm1 3.715644 ppm2 8.356015 volume 21000000 weight 1.0 REMARK dnoe: 2.668875 position 8.346027 1.722783 ASSI { 331 } ( attr rmsd >= 1.682783 and attr rmsd <= 1.762783 ) (( attr rmsd >= 8.306027 and attr rmsd <= 8.386027 ) and bondedto ( attr rmsd >= 125.7046 and attr rmsd <= 126.5046 )) 3.0 3.0 0.5999999 peak 331 ppm1 1.722783 ppm2 8.346027 volume 45600000 weight 1.0 REMARK dnoe: 2.910678 position 8.346556 1.277026 ASSI { 332 } ( attr rmsd >= 1.237026 and attr rmsd <= 1.317026 ) (( attr rmsd >= 8.306556 and attr rmsd <= 8.386556 ) and bondedto ( attr rmsd >= 125.6999 and attr rmsd <= 126.4999 )) 3.0 3.0 0.5999999 peak 332 ppm1 1.277026 ppm2 8.346556 volume 27100000 weight 1.0 REMARK dnoe: 2.663066 position 8.346215 0.7142558 ASSI { 333 } ( attr rmsd >= 0.6742558 and attr rmsd <= 0.7542558 ) (( attr rmsd >= 8.306215 and attr rmsd <= 8.386215 ) and bondedto ( attr rmsd >= 125.7011 and attr rmsd <= 126.5011 )) 3.0 3.0 0.5999999 peak 333 ppm1 0.7142558 ppm2 8.346215 volume 46200000 weight 1.0 REMARK dnoe: 3.198175 position 8.345992 0.3161626 ASSI { 334 } ( attr rmsd >= 0.2761626 and attr rmsd <= 0.3561626 ) (( attr rmsd >= 8.305992 and attr rmsd <= 8.385992 ) and bondedto ( attr rmsd >= 125.7182 and attr rmsd <= 126.5182 )) 3.6 3.6 1.4 peak 334 ppm1 0.3161626 ppm2 8.345992 volume 15400000 weight 1.0 REMARK dnoe: 3.387801 position 7.949423 3.537088 ASSI { 335 } ( attr rmsd >= 3.497088 and attr rmsd <= 3.577088 ) (( attr rmsd >= 7.909423 and attr rmsd <= 7.989423 ) and bondedto ( attr rmsd >= 107.3009 and attr rmsd <= 108.1009 )) 3.6 3.6 1.4 peak 335 ppm1 3.537088 ppm2 7.949423 volume 10900000 weight 1.0 REMARK dnoe: 3.414419 position 7.949423 4.117536 ASSI { 336 } ( attr rmsd >= 4.077536 and attr rmsd <= 4.157536 ) (( attr rmsd >= 7.909423 and attr rmsd <= 7.989423 ) and bondedto ( attr rmsd >= 107.2644 and attr rmsd <= 108.0644 )) 3.6 3.6 1.4 peak 336 ppm1 4.117536 ppm2 7.949423 volume 10400000 weight 1.0 REMARK dnoe: 3.061851 position 7.652833 2.965526 ASSI { 337 } ( attr rmsd >= 2.925526 and attr rmsd <= 3.005526 ) (( attr rmsd >= 7.612833 and attr rmsd <= 7.692833 ) and bondedto ( attr rmsd >= 119.8481 and attr rmsd <= 120.6481 )) 3.6 3.6 1.4 peak 337 ppm1 2.965526 ppm2 7.652833 volume 20000000 weight 1.0 REMARK dnoe: 3.630225 position 8.125458 5.035636 ASSI { 338 } ( attr rmsd >= 4.995636 and attr rmsd <= 5.075636 ) (( attr rmsd >= 8.085458 and attr rmsd <= 8.165458 ) and bondedto ( attr rmsd >= 121.8042 and attr rmsd <= 122.6042 )) 4.2 4.2 1.8 peak 338 ppm1 5.035636 ppm2 8.125458 volume 7200001 weight 1.0 REMARK dnoe: 3.436811 position 8.125458 2.992416 ASSI { 339 } ( attr rmsd >= 2.952416 and attr rmsd <= 3.032416 ) (( attr rmsd >= 8.085458 and attr rmsd <= 8.165458 ) and bondedto ( attr rmsd >= 121.8005 and attr rmsd <= 122.6005 )) 3.6 3.6 1.4 peak 339 ppm1 2.992416 ppm2 8.125458 volume 10000000 weight 1.0 REMARK dnoe: 3.414419 position 8.135926 2.195057 ASSI { 340 } ( attr rmsd >= 2.155057 and attr rmsd <= 2.235057 ) (( attr rmsd >= 8.095926 and attr rmsd <= 8.175926 ) and bondedto ( attr rmsd >= 121.8236 and attr rmsd <= 122.6236 )) 3.6 3.6 1.4 peak 340 ppm1 2.195057 ppm2 8.135926 volume 10400000 weight 1.0 REMARK dnoe: 3.3433 position 8.135926 1.771478 ASSI { 341 } ( attr rmsd >= 1.731478 and attr rmsd <= 1.811478 ) (( attr rmsd >= 8.095926 and attr rmsd <= 8.175926 ) and bondedto ( attr rmsd >= 121.7562 and attr rmsd <= 122.5562 )) 3.6 3.6 1.4 peak 341 ppm1 1.771478 ppm2 8.135926 volume 11800000 weight 1.0 REMARK dnoe: 2.813839 position 8.123372 4.512371 ASSI { 342 } ( attr rmsd >= 4.472371 and attr rmsd <= 4.552371 ) (( attr rmsd >= 8.083372 and attr rmsd <= 8.163372 ) and bondedto ( attr rmsd >= 121.863 and attr rmsd <= 122.663 )) 3.0 3.0 0.5999999 peak 342 ppm1 4.512371 ppm2 8.123372 volume 33199998 weight 1.0 REMARK dnoe: 2.736999 position 8.757426 1.913531 ASSI { 343 } ( attr rmsd >= 1.873531 and attr rmsd <= 1.953531 ) (( attr rmsd >= 8.717426 and attr rmsd <= 8.797426 ) and bondedto ( attr rmsd >= 124.5043 and attr rmsd <= 125.3043 )) 3.0 3.0 0.5999999 peak 343 ppm1 1.913531 ppm2 8.757426 volume 39200000 weight 1.0 REMARK dnoe: 2.896598 position 8.757426 0.8150921 ASSI { 344 } ( attr rmsd >= 0.7750921 and attr rmsd <= 0.8550921 ) (( attr rmsd >= 8.717426 and attr rmsd <= 8.797426 ) and bondedto ( attr rmsd >= 124.4967 and attr rmsd <= 125.2967 )) 3.0 3.0 0.5999999 peak 344 ppm1 0.8150921 ppm2 8.757426 volume 27900002 weight 1.0 REMARK dnoe: 3.627711 position 8.770286 5.160363 ASSI { 345 } ( attr rmsd >= 5.120363 and attr rmsd <= 5.200363 ) (( attr rmsd >= 8.730286 and attr rmsd <= 8.810286 ) and bondedto ( attr rmsd >= 125.6977 and attr rmsd <= 126.4977 )) 4.2 4.2 1.8 peak 345 ppm1 5.160363 ppm2 8.770286 volume 7230000 weight 1.0 REMARK dnoe: 2.538393 position 8.767543 4.699695 ASSI { 346 } ( attr rmsd >= 4.659695 and attr rmsd <= 4.739695 ) (( attr rmsd >= 8.727543 and attr rmsd <= 8.807543 ) and bondedto ( attr rmsd >= 125.6866 and attr rmsd <= 126.4866 )) 3.0 3.0 0.5999999 peak 346 ppm1 4.699695 ppm2 8.767543 volume 61600000 weight 1.0 REMARK dnoe: 3.237922 position 8.770286 2.036851 ASSI { 347 } ( attr rmsd >= 1.996851 and attr rmsd <= 2.076851 ) (( attr rmsd >= 8.730286 and attr rmsd <= 8.810286 ) and bondedto ( attr rmsd >= 125.7177 and attr rmsd <= 126.5177 )) 3.6 3.6 1.4 peak 347 ppm1 2.036851 ppm2 8.770286 volume 14300001 weight 1.0 REMARK dnoe: 2.916083 position 8.772537 1.712538 ASSI { 348 } ( attr rmsd >= 1.672538 and attr rmsd <= 1.752538 ) (( attr rmsd >= 8.732537 and attr rmsd <= 8.812537 ) and bondedto ( attr rmsd >= 125.6739 and attr rmsd <= 126.4739 )) 3.0 3.0 0.5999999 peak 348 ppm1 1.712538 ppm2 8.772537 volume 26800000 weight 1.0 REMARK dnoe: 3.127785 position 8.759045 1.292125 ASSI { 349 } ( attr rmsd >= 1.252125 and attr rmsd <= 1.332125 ) (( attr rmsd >= 8.719045 and attr rmsd <= 8.799045 ) and bondedto ( attr rmsd >= 125.6977 and attr rmsd <= 126.4977 )) 3.6 3.6 1.4 peak 349 ppm1 1.292125 ppm2 8.759045 volume 17600000 weight 1.0 REMARK dnoe: 3.709962 position 8.757719 8.039158 ASSI { 350 } ( attr rmsd >= 7.999158 and attr rmsd <= 8.079158 ) (( attr rmsd >= 8.717719 and attr rmsd <= 8.797719 ) and bondedto ( attr rmsd >= 125.7577 and attr rmsd <= 126.5577 )) 4.2 4.2 1.8 peak 350 ppm1 8.039158 ppm2 8.757719 volume 6320001 weight 1.0 REMARK dnoe: 3.133748 position 8.007483 9.249569 ASSI { 351 } ( attr rmsd >= 9.209569 and attr rmsd <= 9.289569 ) (( attr rmsd >= 7.967483 and attr rmsd <= 8.047482 ) and bondedto ( attr rmsd >= 118.6473 and attr rmsd <= 119.4473 )) 3.6 3.6 1.4 peak 351 ppm1 9.249569 ppm2 8.007483 volume 17400000 weight 1.0 REMARK dnoe: 3.387801 position 8.014717 8.618668 ASSI { 352 } ( attr rmsd >= 8.578668 and attr rmsd <= 8.658668 ) (( attr rmsd >= 7.974717 and attr rmsd <= 8.054717 ) and bondedto ( attr rmsd >= 118.6473 and attr rmsd <= 119.4473 )) 3.6 3.6 1.4 peak 352 ppm1 8.618668 ppm2 8.014717 volume 10900000 weight 1.0 REMARK dnoe: 2.88466 position 8.007332 6.90438 ASSI { 353 } ( attr rmsd >= 6.86438 and attr rmsd <= 6.94438 ) (( attr rmsd >= 7.967332 and attr rmsd <= 8.047332 ) and bondedto ( attr rmsd >= 118.6334 and attr rmsd <= 119.4334 )) 3.0 3.0 0.5999999 peak 353 ppm1 6.90438 ppm2 8.007332 volume 28600002 weight 1.0 REMARK dnoe: 3.431116 position 8.01256 8.777671 ASSI { 354 } ( attr rmsd >= 8.737671 and attr rmsd <= 8.817671 ) (( attr rmsd >= 7.97256 and attr rmsd <= 8.05256 ) and bondedto ( attr rmsd >= 118.5877 and attr rmsd <= 119.3877 )) 3.6 3.6 1.4 peak 354 ppm1 8.777671 ppm2 8.01256 volume 10100000 weight 1.0 REMARK dnoe: 2.411469 position 8.007472 5.155111 ASSI { 355 } ( attr rmsd >= 5.115111 and attr rmsd <= 5.195111 ) (( attr rmsd >= 7.967472 and attr rmsd <= 8.047472 ) and bondedto ( attr rmsd >= 118.6475 and attr rmsd <= 119.4475 )) 2.5 2.5 0.2 peak 355 ppm1 5.155111 ppm2 8.007472 volume 83800000 weight 1.0 REMARK dnoe: 2.910678 position 8.005527 3.197864 ASSI { 356 } ( attr rmsd >= 3.157864 and attr rmsd <= 3.237864 ) (( attr rmsd >= 7.965527 and attr rmsd <= 8.045527 ) and bondedto ( attr rmsd >= 118.6398 and attr rmsd <= 119.4398 )) 3.0 3.0 0.5999999 peak 356 ppm1 3.197864 ppm2 8.005527 volume 27100000 weight 1.0 REMARK dnoe: 2.932732 position 8.009559 2.027333 ASSI { 357 } ( attr rmsd >= 1.987333 and attr rmsd <= 2.067333 ) (( attr rmsd >= 7.969559 and attr rmsd <= 8.049559 ) and bondedto ( attr rmsd >= 118.6309 and attr rmsd <= 119.4309 )) 3.0 3.0 0.5999999 peak 357 ppm1 2.027333 ppm2 8.009559 volume 25900000 weight 1.0 REMARK dnoe: 2.767226 position 8.009559 1.749042 ASSI { 358 } ( attr rmsd >= 1.709042 and attr rmsd <= 1.789042 ) (( attr rmsd >= 7.969559 and attr rmsd <= 8.049559 ) and bondedto ( attr rmsd >= 118.6199 and attr rmsd <= 119.4199 )) 3.0 3.0 0.5999999 peak 358 ppm1 1.749042 ppm2 8.009559 volume 36700000 weight 1.0 REMARK dnoe: 3.041901 position 8.009559 1.51886 ASSI { 359 } ( attr rmsd >= 1.47886 and attr rmsd <= 1.55886 ) (( attr rmsd >= 7.969559 and attr rmsd <= 8.049559 ) and bondedto ( attr rmsd >= 118.6313 and attr rmsd <= 119.4313 )) 3.6 3.6 1.4 peak 359 ppm1 1.51886 ppm2 8.009559 volume 20800000 weight 1.0 REMARK dnoe: 3.561124 position 8.006101 1.3121 ASSI { 360 } ( attr rmsd >= 1.2721 and attr rmsd <= 1.3521 ) (( attr rmsd >= 7.966101 and attr rmsd <= 8.046101 ) and bondedto ( attr rmsd >= 118.6676 and attr rmsd <= 119.4676 )) 3.6 3.6 1.4 peak 360 ppm1 1.3121 ppm2 8.006101 volume 8080001 weight 1.0 REMARK dnoe: 3.906034 position 8.011293 0.7262831 ASSI { 361 } ( attr rmsd >= 0.6862831 and attr rmsd <= 0.7662831 ) (( attr rmsd >= 7.971293 and attr rmsd <= 8.051293 ) and bondedto ( attr rmsd >= 118.6676 and attr rmsd <= 119.4676 )) 4.2 4.2 1.8 peak 361 ppm1 0.7262831 ppm2 8.011293 volume 4640000 weight 1.0 REMARK dnoe: 4.034705 position 8.569153 8.004436 ASSI { 362 } ( attr rmsd >= 7.964436 and attr rmsd <= 8.044436 ) (( attr rmsd >= 8.529153 and attr rmsd <= 8.609153 ) and bondedto ( attr rmsd >= 119.7483 and attr rmsd <= 120.5483 )) 4.2 4.2 1.8 peak 362 ppm1 8.004436 ppm2 8.569153 volume 3820000 weight 1.0 REMARK dnoe: 3.187908 position 8.578741 6.918681 ASSI { 363 } ( attr rmsd >= 6.878681 and attr rmsd <= 6.958681 ) (( attr rmsd >= 8.538741 and attr rmsd <= 8.618741 ) and bondedto ( attr rmsd >= 119.7862 and attr rmsd <= 120.5862 )) 3.6 3.6 1.4 peak 363 ppm1 6.918681 ppm2 8.578741 volume 15700001 weight 1.0 REMARK dnoe: 3.174568 position 8.582317 5.992984 ASSI { 364 } ( attr rmsd >= 5.952984 and attr rmsd <= 6.032984 ) (( attr rmsd >= 8.542317 and attr rmsd <= 8.622317 ) and bondedto ( attr rmsd >= 119.7889 and attr rmsd <= 120.5889 )) 3.6 3.6 1.4 peak 364 ppm1 5.992984 ppm2 8.582317 volume 16100000 weight 1.0 REMARK dnoe: 4.082386 position 8.582317 9.478157 ASSI { 365 } ( attr rmsd >= 9.438157 and attr rmsd <= 9.518157 ) (( attr rmsd >= 8.542317 and attr rmsd <= 8.622317 ) and bondedto ( attr rmsd >= 119.8145 and attr rmsd <= 120.6145 )) 4.2 4.2 1.8 peak 365 ppm1 9.478157 ppm2 8.582317 volume 3560000 weight 1.0 REMARK dnoe: 2.509372 position 8.582317 4.939161 ASSI { 366 } ( attr rmsd >= 4.899161 and attr rmsd <= 4.979161 ) (( attr rmsd >= 8.542317 and attr rmsd <= 8.622317 ) and bondedto ( attr rmsd >= 119.7858 and attr rmsd <= 120.5858 )) 3.0 3.0 0.5999999 peak 366 ppm1 4.939161 ppm2 8.582317 volume 66000004 weight 1.0 REMARK dnoe: 3.333948 position 8.582317 5.19192 ASSI { 367 } ( attr rmsd >= 5.15192 and attr rmsd <= 5.23192 ) (( attr rmsd >= 8.542317 and attr rmsd <= 8.622317 ) and bondedto ( attr rmsd >= 119.7985 and attr rmsd <= 120.5985 )) 3.6 3.6 1.4 peak 367 ppm1 5.19192 ppm2 8.582317 volume 12000000 weight 1.0 REMARK dnoe: 3.191304 position 8.570536 4.626782 ASSI { 368 } ( attr rmsd >= 4.586782 and attr rmsd <= 4.666782 ) (( attr rmsd >= 8.530536 and attr rmsd <= 8.610536 ) and bondedto ( attr rmsd >= 119.8459 and attr rmsd <= 120.6459 )) 3.6 3.6 1.4 peak 368 ppm1 4.626782 ppm2 8.570536 volume 15600000 weight 1.0 REMARK dnoe: 3.443733 position 8.582317 3.795333 ASSI { 369 } ( attr rmsd >= 3.755333 and attr rmsd <= 3.835333 ) (( attr rmsd >= 8.542317 and attr rmsd <= 8.622317 ) and bondedto ( attr rmsd >= 119.8659 and attr rmsd <= 120.6659 )) 3.6 3.6 1.4 peak 369 ppm1 3.795333 ppm2 8.582317 volume 9880000 weight 1.0 REMARK dnoe: 2.625594 position 8.580652 3.296473 ASSI { 370 } ( attr rmsd >= 3.256473 and attr rmsd <= 3.336473 ) (( attr rmsd >= 8.540652 and attr rmsd <= 8.620652 ) and bondedto ( attr rmsd >= 119.786 and attr rmsd <= 120.586 )) 3.0 3.0 0.5999999 peak 370 ppm1 3.296473 ppm2 8.580652 volume 50300004 weight 1.0 REMARK dnoe: 2.598743 position 8.580359 3.142628 ASSI { 371 } ( attr rmsd >= 3.102628 and attr rmsd <= 3.182628 ) (( attr rmsd >= 8.540359 and attr rmsd <= 8.620359 ) and bondedto ( attr rmsd >= 119.8059 and attr rmsd <= 120.6059 )) 3.0 3.0 0.5999999 peak 371 ppm1 3.142628 ppm2 8.580359 volume 53500004 weight 1.0 REMARK dnoe: 2.5677 position 8.580688 2.542158 ASSI { 372 } ( attr rmsd >= 2.502158 and attr rmsd <= 2.582158 ) (( attr rmsd >= 8.540689 and attr rmsd <= 8.620688 ) and bondedto ( attr rmsd >= 119.7827 and attr rmsd <= 120.5827 )) 3.0 3.0 0.5999999 peak 372 ppm1 2.542158 ppm2 8.580688 volume 57500000 weight 1.0 REMARK dnoe: 3.000113 position 9.485565 9.229383 ASSI { 373 } ( attr rmsd >= 9.189384 and attr rmsd <= 9.269383 ) (( attr rmsd >= 9.445565 and attr rmsd <= 9.525565 ) and bondedto ( attr rmsd >= 116.3323 and attr rmsd <= 117.1323 )) 3.6 3.6 1.4 peak 373 ppm1 9.229383 ppm2 9.485565 volume 22600000 weight 1.0 REMARK dnoe: 3.468146 position 9.48403 8.617637 ASSI { 374 } ( attr rmsd >= 8.577637 and attr rmsd <= 8.657637 ) (( attr rmsd >= 9.44403 and attr rmsd <= 9.52403 ) and bondedto ( attr rmsd >= 116.4161 and attr rmsd <= 117.2161 )) 3.6 3.6 1.4 peak 374 ppm1 8.617637 ppm2 9.48403 volume 9470000 weight 1.0 REMARK dnoe: 2.791852 position 9.486433 6.892985 ASSI { 375 } ( attr rmsd >= 6.852985 and attr rmsd <= 6.932985 ) (( attr rmsd >= 9.446433 and attr rmsd <= 9.526433 ) and bondedto ( attr rmsd >= 116.3312 and attr rmsd <= 117.1312 )) 3.0 3.0 0.5999999 peak 375 ppm1 6.892985 ppm2 9.486433 volume 34800000 weight 1.0 REMARK dnoe: 2.606928 position 9.484697 5.991085 ASSI { 376 } ( attr rmsd >= 5.951085 and attr rmsd <= 6.031085 ) (( attr rmsd >= 9.444697 and attr rmsd <= 9.524697 ) and bondedto ( attr rmsd >= 116.337 and attr rmsd <= 117.137 )) 3.0 3.0 0.5999999 peak 376 ppm1 5.991085 ppm2 9.484697 volume 52499996 weight 1.0 REMARK dnoe: 3.03465 position 9.486433 5.263099 ASSI { 377 } ( attr rmsd >= 5.223099 and attr rmsd <= 5.303099 ) (( attr rmsd >= 9.446433 and attr rmsd <= 9.526433 ) and bondedto ( attr rmsd >= 116.3382 and attr rmsd <= 117.1382 )) 3.6 3.6 1.4 peak 377 ppm1 5.263099 ppm2 9.486433 volume 21100000 weight 1.0 REMARK dnoe: 3.602416 position 9.490969 4.030133 ASSI { 378 } ( attr rmsd >= 3.990133 and attr rmsd <= 4.070133 ) (( attr rmsd >= 9.450969 and attr rmsd <= 9.530969 ) and bondedto ( attr rmsd >= 116.3706 and attr rmsd <= 117.1706 )) 4.2 4.2 1.8 peak 378 ppm1 4.030133 ppm2 9.490969 volume 7540000 weight 1.0 REMARK dnoe: 3.16161 position 9.486175 3.29727 ASSI { 379 } ( attr rmsd >= 3.25727 and attr rmsd <= 3.33727 ) (( attr rmsd >= 9.446175 and attr rmsd <= 9.526175 ) and bondedto ( attr rmsd >= 116.331 and attr rmsd <= 117.131 )) 3.6 3.6 1.4 peak 379 ppm1 3.29727 ppm2 9.486175 volume 16500001 weight 1.0 REMARK dnoe: 2.801324 position 9.486175 2.548652 ASSI { 380 } ( attr rmsd >= 2.508652 and attr rmsd <= 2.588652 ) (( attr rmsd >= 9.446175 and attr rmsd <= 9.526175 ) and bondedto ( attr rmsd >= 116.3323 and attr rmsd <= 117.1323 )) 3.0 3.0 0.5999999 peak 380 ppm1 2.548652 ppm2 9.486175 volume 34100000 weight 1.0 REMARK dnoe: 3.477387 position 9.488566 2.063742 ASSI { 381 } ( attr rmsd >= 2.023742 and attr rmsd <= 2.103742 ) (( attr rmsd >= 9.448566 and attr rmsd <= 9.528566 ) and bondedto ( attr rmsd >= 116.3507 and attr rmsd <= 117.1507 )) 3.6 3.6 1.4 peak 381 ppm1 2.063742 ppm2 9.488566 volume 9320000 weight 1.0 REMARK dnoe: 3.437958 position 9.493361 1.18885 ASSI { 382 } ( attr rmsd >= 1.14885 and attr rmsd <= 1.22885 ) (( attr rmsd >= 9.453362 and attr rmsd <= 9.533361 ) and bondedto ( attr rmsd >= 116.3112 and attr rmsd <= 117.1112 )) 3.6 3.6 1.4 peak 382 ppm1 1.18885 ppm2 9.493361 volume 9980000 weight 1.0 REMARK dnoe: 2.912472 position 9.486175 0.7718835 ASSI { 383 } ( attr rmsd >= 0.7318835 and attr rmsd <= 0.8118835 ) (( attr rmsd >= 9.446175 and attr rmsd <= 9.526175 ) and bondedto ( attr rmsd >= 116.3403 and attr rmsd <= 117.1403 )) 3.0 3.0 0.5999999 peak 383 ppm1 0.7718835 ppm2 9.486175 volume 27000002 weight 1.0 REMARK dnoe: 3.548071 position 8.628093 9.482681 ASSI { 384 } ( attr rmsd >= 9.442681 and attr rmsd <= 9.522681 ) (( attr rmsd >= 8.588093 and attr rmsd <= 8.668093 ) and bondedto ( attr rmsd >= 110.2491 and attr rmsd <= 111.0491 )) 3.6 3.6 1.4 peak 384 ppm1 9.482681 ppm2 8.628093 volume 8260000 weight 1.0 REMARK dnoe: 3.074798 position 8.637963 6.888343 ASSI { 385 } ( attr rmsd >= 6.848343 and attr rmsd <= 6.928343 ) (( attr rmsd >= 8.597963 and attr rmsd <= 8.677963 ) and bondedto ( attr rmsd >= 110.1993 and attr rmsd <= 110.9993 )) 3.6 3.6 1.4 peak 385 ppm1 6.888343 ppm2 8.637963 volume 19500000 weight 1.0 REMARK dnoe: 2.691996 position 8.635243 5.299344 ASSI { 386 } ( attr rmsd >= 5.259344 and attr rmsd <= 5.339344 ) (( attr rmsd >= 8.595243 and attr rmsd <= 8.675243 ) and bondedto ( attr rmsd >= 110.2213 and attr rmsd <= 111.0213 )) 3.0 3.0 0.5999999 peak 386 ppm1 5.299344 ppm2 8.635243 volume 43300000 weight 1.0 REMARK dnoe: 3.403596 position 8.635243 5.020655 ASSI { 387 } ( attr rmsd >= 4.980655 and attr rmsd <= 5.060655 ) (( attr rmsd >= 8.595243 and attr rmsd <= 8.675243 ) and bondedto ( attr rmsd >= 110.2057 and attr rmsd <= 111.0057 )) 3.6 3.6 1.4 peak 387 ppm1 5.020655 ppm2 8.635243 volume 10600000 weight 1.0 REMARK dnoe: 3.531868 position 8.635243 3.935275 ASSI { 389 } ( attr rmsd >= 3.895275 and attr rmsd <= 3.975275 ) (( attr rmsd >= 8.595243 and attr rmsd <= 8.675243 ) and bondedto ( attr rmsd >= 110.2678 and attr rmsd <= 111.0678 )) 3.6 3.6 1.4 peak 389 ppm1 3.935275 ppm2 8.635243 volume 8490000 weight 1.0 REMARK dnoe: 2.568445 position 8.640237 3.275256 ASSI { 390 } ( attr rmsd >= 3.235256 and attr rmsd <= 3.315256 ) (( attr rmsd >= 8.600237 and attr rmsd <= 8.680237 ) and bondedto ( attr rmsd >= 110.2198 and attr rmsd <= 111.0198 )) 3.0 3.0 0.5999999 peak 390 ppm1 3.275256 ppm2 8.640237 volume 57400000 weight 1.0 REMARK dnoe: 2.900074 position 8.630261 1.187631 ASSI { 391 } ( attr rmsd >= 1.147631 and attr rmsd <= 1.227631 ) (( attr rmsd >= 8.590261 and attr rmsd <= 8.670261 ) and bondedto ( attr rmsd >= 110.2307 and attr rmsd <= 111.0307 )) 3.0 3.0 0.5999999 peak 391 ppm1 1.187631 ppm2 8.630261 volume 27700002 weight 1.0 REMARK dnoe: 4.003861 position 8.630261 1.583638 ASSI { 392 } ( attr rmsd >= 1.543638 and attr rmsd <= 1.623638 ) (( attr rmsd >= 8.590261 and attr rmsd <= 8.670261 ) and bondedto ( attr rmsd >= 110.2465 and attr rmsd <= 111.0465 )) 4.2 4.2 1.8 peak 392 ppm1 1.583638 ppm2 8.630261 volume 4000000 weight 1.0 REMARK dnoe: 3.444897 position 8.640237 0.7916243 ASSI { 393 } ( attr rmsd >= 0.7516243 and attr rmsd <= 0.8316243 ) (( attr rmsd >= 8.600237 and attr rmsd <= 8.680237 ) and bondedto ( attr rmsd >= 110.2542 and attr rmsd <= 111.0542 )) 3.6 3.6 1.4 peak 393 ppm1 0.7916243 ppm2 8.640237 volume 9860000 weight 1.0 REMARK dnoe: 3.16161 position 8.630883 4.50379 ASSI { 394 } ( attr rmsd >= 4.46379 and attr rmsd <= 4.54379 ) (( attr rmsd >= 8.590883 and attr rmsd <= 8.670883 ) and bondedto ( attr rmsd >= 110.2792 and attr rmsd <= 111.0792 )) 3.6 3.6 1.4 peak 394 ppm1 4.50379 ppm2 8.630883 volume 16500001 weight 1.0 REMARK dnoe: 3.03947 position 9.448839 5.004291 ASSI { 395 } ( attr rmsd >= 4.964291 and attr rmsd <= 5.044291 ) (( attr rmsd >= 9.408839 and attr rmsd <= 9.488839 ) and bondedto ( attr rmsd >= 111.2489 and attr rmsd <= 112.0489 )) 3.6 3.6 1.4 peak 395 ppm1 5.004291 ppm2 9.448839 volume 20900000 weight 1.0 REMARK dnoe: 2.675765 position 9.448664 4.452961 ASSI { 396 } ( attr rmsd >= 4.412961 and attr rmsd <= 4.492961 ) (( attr rmsd >= 9.408664 and attr rmsd <= 9.488664 ) and bondedto ( attr rmsd >= 111.2577 and attr rmsd <= 112.0577 )) 3.0 3.0 0.5999999 peak 396 ppm1 4.452961 ppm2 9.448664 volume 44900000 weight 1.0 REMARK dnoe: 2.818099 position 9.448534 1.159896 ASSI { 397 } ( attr rmsd >= 1.119896 and attr rmsd <= 1.199896 ) (( attr rmsd >= 9.408534 and attr rmsd <= 9.488534 ) and bondedto ( attr rmsd >= 111.2399 and attr rmsd <= 112.0399 )) 3.0 3.0 0.5999999 peak 397 ppm1 1.159896 ppm2 9.448534 volume 32900000 weight 1.0 REMARK dnoe: 3.198175 position 8.134672 4.375546 ASSI { 398 } ( attr rmsd >= 4.335546 and attr rmsd <= 4.415546 ) (( attr rmsd >= 8.094672 and attr rmsd <= 8.174672 ) and bondedto ( attr rmsd >= 111.8308 and attr rmsd <= 112.6308 )) 3.6 3.6 1.4 peak 398 ppm1 4.375546 ppm2 8.134672 volume 15400000 weight 1.0 REMARK dnoe: 3.281406 position 8.136865 1.163741 ASSI { 399 } ( attr rmsd >= 1.123741 and attr rmsd <= 1.203741 ) (( attr rmsd >= 8.096865 and attr rmsd <= 8.176865 ) and bondedto ( attr rmsd >= 111.8146 and attr rmsd <= 112.6146 )) 3.6 3.6 1.4 peak 399 ppm1 1.163741 ppm2 8.136865 volume 13200000 weight 1.0 REMARK dnoe: 2.916083 position 7.512997 2.895425 ASSI { 400 } ( attr rmsd >= 2.855425 and attr rmsd <= 2.935425 ) (( attr rmsd >= 7.472997 and attr rmsd <= 7.552997 ) and bondedto ( attr rmsd >= 112.5906 and attr rmsd <= 113.3906 )) 3.0 3.0 0.5999999 peak 400 ppm1 2.895425 ppm2 7.512997 volume 26800000 weight 1.0 REMARK dnoe: 2.978541 position 6.84517 2.894745 ASSI { 401 } ( attr rmsd >= 2.854745 and attr rmsd <= 2.934745 ) (( attr rmsd >= 6.80517 and attr rmsd <= 6.88517 ) and bondedto ( attr rmsd >= 112.6072 and attr rmsd <= 113.4072 )) 3.0 3.0 0.5999999 peak 401 ppm1 2.894745 ppm2 6.84517 volume 23600000 weight 1.0 REMARK dnoe: 3.077434 position 7.490607 2.707585 ASSI { 402 } ( attr rmsd >= 2.667585 and attr rmsd <= 2.747585 ) (( attr rmsd >= 7.450607 and attr rmsd <= 7.530607 ) and bondedto ( attr rmsd >= 112.0367 and attr rmsd <= 112.8367 )) 3.6 3.6 1.4 peak 402 ppm1 2.707585 ppm2 7.490607 volume 19400000 weight 1.0 REMARK dnoe: 3.372506 position 6.798339 2.706999 ASSI { 403 } ( attr rmsd >= 2.666999 and attr rmsd <= 2.746999 ) (( attr rmsd >= 6.758339 and attr rmsd <= 6.838339 ) and bondedto ( attr rmsd >= 112.0566 and attr rmsd <= 112.8566 )) 3.6 3.6 1.4 peak 403 ppm1 2.706999 ppm2 6.798339 volume 11200000 weight 1.0 REMARK dnoe: 3.772156 position 7.278536 0.6444135 ASSI { 404 } ( attr rmsd >= 0.6044134 and attr rmsd <= 0.6844135 ) (( attr rmsd >= 7.238536 and attr rmsd <= 7.318536 ) and bondedto ( attr rmsd >= 110.8266 and attr rmsd <= 111.6266 )) 4.2 4.2 1.8 peak 404 ppm1 0.6444135 ppm2 7.278536 volume 5720001 weight 1.0 REMARK dnoe: 2.954022 position 7.280388 2.238008 ASSI { 405 } ( attr rmsd >= 2.198008 and attr rmsd <= 2.278008 ) (( attr rmsd >= 7.240388 and attr rmsd <= 7.320388 ) and bondedto ( attr rmsd >= 110.8524 and attr rmsd <= 111.6524 )) 3.0 3.0 0.5999999 peak 405 ppm1 2.238008 ppm2 7.280388 volume 24800000 weight 1.0 REMARK dnoe: 3.088138 position 6.729141 2.23775 ASSI { 406 } ( attr rmsd >= 2.19775 and attr rmsd <= 2.27775 ) (( attr rmsd >= 6.689141 and attr rmsd <= 6.769141 ) and bondedto ( attr rmsd >= 110.863 and attr rmsd <= 111.663 )) 3.6 3.6 1.4 peak 406 ppm1 2.23775 ppm2 6.729141 volume 19000000 weight 1.0 REMARK dnoe: 3.187908 position 7.206491 1.910061 ASSI { 407 } ( attr rmsd >= 1.870061 and attr rmsd <= 1.950061 ) (( attr rmsd >= 7.166491 and attr rmsd <= 7.246491 ) and bondedto ( attr rmsd >= 110.9015 and attr rmsd <= 111.7015 )) 3.6 3.6 1.4 peak 407 ppm1 1.910061 ppm2 7.206491 volume 15700001 weight 1.0 REMARK dnoe: 3.277281 position 6.727852 1.863453 ASSI { 408 } ( attr rmsd >= 1.823453 and attr rmsd <= 1.903453 ) (( attr rmsd >= 6.687852 and attr rmsd <= 6.767852 ) and bondedto ( attr rmsd >= 110.886 and attr rmsd <= 111.686 )) 3.6 3.6 1.4 peak 408 ppm1 1.863453 ppm2 6.727852 volume 13300000 weight 1.0 REMARK dnoe: 3.387801 position 7.2787 1.932849 ASSI { 409 } ( attr rmsd >= 1.892849 and attr rmsd <= 1.972849 ) (( attr rmsd >= 7.2387 and attr rmsd <= 7.3187 ) and bondedto ( attr rmsd >= 110.8245 and attr rmsd <= 111.6245 )) 3.6 3.6 1.4 peak 409 ppm1 1.932849 ppm2 7.2787 volume 10900000 weight 1.0 REMARK dnoe: 3.230435 position 7.197781 2.175879 ASSI { 410 } ( attr rmsd >= 2.135879 and attr rmsd <= 2.215879 ) (( attr rmsd >= 7.157781 and attr rmsd <= 7.237781 ) and bondedto ( attr rmsd >= 109.6799 and attr rmsd <= 110.4799 )) 3.6 3.6 1.4 peak 410 ppm1 2.175879 ppm2 7.197781 volume 14500000 weight 1.0 REMARK dnoe: 3.480506 position 6.552449 2.175879 ASSI { 411 } ( attr rmsd >= 2.135879 and attr rmsd <= 2.215879 ) (( attr rmsd >= 6.512449 and attr rmsd <= 6.592449 ) and bondedto ( attr rmsd >= 109.6799 and attr rmsd <= 110.4799 )) 3.6 3.6 1.4 peak 411 ppm1 2.175879 ppm2 6.552449 volume 9270000 weight 1.0 REMARK dnoe: 3.509492 position 7.197429 0.7422962 ASSI { 412 } ( attr rmsd >= 0.7022962 and attr rmsd <= 0.7822962 ) (( attr rmsd >= 7.157429 and attr rmsd <= 7.237429 ) and bondedto ( attr rmsd >= 109.6799 and attr rmsd <= 110.4799 )) 3.6 3.6 1.4 peak 412 ppm1 0.7422962 ppm2 7.197429 volume 8820000 weight 1.0 REMARK dnoe: 3.49254 position 6.552941 0.669898 ASSI { 413 } ( attr rmsd >= 0.629898 and attr rmsd <= 0.709898 ) (( attr rmsd >= 6.512941 and attr rmsd <= 6.592941 ) and bondedto ( attr rmsd >= 109.6998 and attr rmsd <= 110.4998 )) 3.6 3.6 1.4 peak 413 ppm1 0.669898 ppm2 6.552941 volume 9080000 weight 1.0 REMARK dnoe: 3.029882 position 6.365218 1.909686 ASSI { 414 } ( attr rmsd >= 1.869686 and attr rmsd <= 1.949686 ) (( attr rmsd >= 6.325218 and attr rmsd <= 6.405218 ) and bondedto ( attr rmsd >= 109.6668 and attr rmsd <= 110.4668 )) 3.6 3.6 1.4 peak 414 ppm1 1.909686 ppm2 6.365218 volume 21300000 weight 1.0 REMARK dnoe: 3.794599 position 6.505653 7.312813 ASSI { 415 } ( attr rmsd >= 7.272813 and attr rmsd <= 7.352813 ) (( attr rmsd >= 6.465653 and attr rmsd <= 6.545653 ) and bondedto ( attr rmsd >= 111.9568 and attr rmsd <= 112.7568 )) 4.2 4.2 1.8 peak 415 ppm1 7.312813 ppm2 6.505653 volume 5520000 weight 1.0 REMARK dnoe: 4.007208 position 6.505512 6.958092 ASSI { 416 } ( attr rmsd >= 6.918092 and attr rmsd <= 6.998092 ) (( attr rmsd >= 6.465512 and attr rmsd <= 6.545512 ) and bondedto ( attr rmsd >= 111.9568 and attr rmsd <= 112.7568 )) 4.2 4.2 1.8 peak 416 ppm1 6.958092 ppm2 6.505512 volume 3980000 weight 1.0 REMARK dnoe: 3.142845 position 6.50645 2.191236 ASSI { 417 } ( attr rmsd >= 2.151236 and attr rmsd <= 2.231236 ) (( attr rmsd >= 6.46645 and attr rmsd <= 6.54645 ) and bondedto ( attr rmsd >= 111.93 and attr rmsd <= 112.73 )) 3.6 3.6 1.4 peak 417 ppm1 2.191236 ppm2 6.50645 volume 17100000 weight 1.0 REMARK dnoe: 2.978541 position 6.506485 1.933177 ASSI { 418 } ( attr rmsd >= 1.893177 and attr rmsd <= 1.973177 ) (( attr rmsd >= 6.466485 and attr rmsd <= 6.546485 ) and bondedto ( attr rmsd >= 111.9339 and attr rmsd <= 112.7339 )) 3.0 3.0 0.5999999 peak 418 ppm1 1.933177 ppm2 6.506485 volume 23600000 weight 1.0 REMARK dnoe: 3.338601 position 6.508665 1.35777 ASSI { 419 } ( attr rmsd >= 1.31777 and attr rmsd <= 1.39777 ) (( attr rmsd >= 6.468665 and attr rmsd <= 6.548665 ) and bondedto ( attr rmsd >= 111.9179 and attr rmsd <= 112.7179 )) 3.6 3.6 1.4 peak 419 ppm1 1.35777 ppm2 6.508665 volume 11900000 weight 1.0 REMARK dnoe: 2.735837 position 6.505758 0.7619898 ASSI { 420 } ( attr rmsd >= 0.7219898 and attr rmsd <= 0.8019898 ) (( attr rmsd >= 6.465758 and attr rmsd <= 6.545758 ) and bondedto ( attr rmsd >= 111.9241 and attr rmsd <= 112.7241 )) 3.0 3.0 0.5999999 peak 420 ppm1 0.7619898 ppm2 6.505758 volume 39300000 weight 1.0 REMARK dnoe: 3.029882 position 6.505688 0.2690845 ASSI { 421 } ( attr rmsd >= 0.2290845 and attr rmsd <= 0.3090845 ) (( attr rmsd >= 6.465688 and attr rmsd <= 6.545688 ) and bondedto ( attr rmsd >= 111.9185 and attr rmsd <= 112.7185 )) 3.6 3.6 1.4 peak 421 ppm1 0.2690845 ppm2 6.505688 volume 21300000 weight 1.0 REMARK dnoe: 3.006802 position 6.505981 6.20094 ASSI { 422 } ( attr rmsd >= 6.16094 and attr rmsd <= 6.24094 ) (( attr rmsd >= 6.465981 and attr rmsd <= 6.545981 ) and bondedto ( attr rmsd >= 111.8241 and attr rmsd <= 112.6241 )) 3.6 3.6 1.4 peak 422 ppm1 6.20094 ppm2 6.505981 volume 22300000 weight 1.0 REMARK dnoe: 3.949791 position 6.515945 4.090176 ASSI { 423 } ( attr rmsd >= 4.050176 and attr rmsd <= 4.130176 ) (( attr rmsd >= 6.475945 and attr rmsd <= 6.555945 ) and bondedto ( attr rmsd >= 111.9825 and attr rmsd <= 112.7825 )) 4.2 4.2 1.8 peak 423 ppm1 4.090176 ppm2 6.515945 volume 4340000 weight 1.0 REMARK dnoe: 3.454303 position 6.506684 1.220876 ASSI { 424 } ( attr rmsd >= 1.180876 and attr rmsd <= 1.260876 ) (( attr rmsd >= 6.466684 and attr rmsd <= 6.546684 ) and bondedto ( attr rmsd >= 111.9058 and attr rmsd <= 112.7058 )) 3.6 3.6 1.4 peak 424 ppm1 1.220876 ppm2 6.506684 volume 9700000 weight 1.0 REMARK dnoe: 3.096341 position 7.139484 2.636336 ASSI { 425 } ( attr rmsd >= 2.596336 and attr rmsd <= 2.676336 ) (( attr rmsd >= 7.099484 and attr rmsd <= 7.179484 ) and bondedto ( attr rmsd >= 108.6625 and attr rmsd <= 109.4625 )) 3.6 3.6 1.4 peak 425 ppm1 2.636336 ppm2 7.139484 volume 18700000 weight 1.0 REMARK dnoe: 3.3433 position 7.14224 1.889734 ASSI { 426 } ( attr rmsd >= 1.849734 and attr rmsd <= 1.929734 ) (( attr rmsd >= 7.10224 and attr rmsd <= 7.18224 ) and bondedto ( attr rmsd >= 108.616 and attr rmsd <= 109.416 )) 3.6 3.6 1.4 peak 426 ppm1 1.889734 ppm2 7.14224 volume 11800000 weight 1.0 REMARK dnoe: 3.357681 position 7.149894 1.753145 ASSI { 427 } ( attr rmsd >= 1.713145 and attr rmsd <= 1.793145 ) (( attr rmsd >= 7.109894 and attr rmsd <= 7.189894 ) and bondedto ( attr rmsd >= 108.616 and attr rmsd <= 109.416 )) 3.6 3.6 1.4 peak 427 ppm1 1.753145 ppm2 7.149894 volume 11500000 weight 1.0 REMARK dnoe: 2.934623 position 7.14224 1.419243 ASSI { 428 } ( attr rmsd >= 1.379243 and attr rmsd <= 1.459243 ) (( attr rmsd >= 7.10224 and attr rmsd <= 7.18224 ) and bondedto ( attr rmsd >= 108.6473 and attr rmsd <= 109.4473 )) 3.0 3.0 0.5999999 peak 428 ppm1 1.419243 ppm2 7.14224 volume 25799998 weight 1.0 REMARK dnoe: 3.382649 position 7.151805 0.694562 ASSI { 429 } ( attr rmsd >= 0.654562 and attr rmsd <= 0.734562 ) (( attr rmsd >= 7.111805 and attr rmsd <= 7.191805 ) and bondedto ( attr rmsd >= 108.6301 and attr rmsd <= 109.4301 )) 3.6 3.6 1.4 peak 429 ppm1 0.694562 ppm2 7.151805 volume 11000000 weight 1.0 REMARK dnoe: 2.855464 position 9.84705 7.350277 ASSI { 430 } ( attr rmsd >= 7.310277 and attr rmsd <= 7.390277 ) (( attr rmsd >= 9.80705 and attr rmsd <= 9.88705 ) and bondedto ( attr rmsd >= 128.2092 and attr rmsd <= 129.0092 )) 3.0 3.0 0.5999999 peak 430 ppm1 7.350277 ppm2 9.84705 volume 30400000 weight 1.0 REMARK dnoe: 2.58523 position 9.846674 6.625901 ASSI { 431 } ( attr rmsd >= 6.585901 and attr rmsd <= 6.665901 ) (( attr rmsd >= 9.806674 and attr rmsd <= 9.886674 ) and bondedto ( attr rmsd >= 128.2051 and attr rmsd <= 129.0051 )) 3.0 3.0 0.5999999 peak 431 ppm1 6.625901 ppm2 9.846674 volume 55200000 weight 1.0 REMARK dnoe: 3.09359 position 9.846252 6.8758 ASSI { 432 } ( attr rmsd >= 6.8358 and attr rmsd <= 6.9158 ) (( attr rmsd >= 9.806252 and attr rmsd <= 9.886252 ) and bondedto ( attr rmsd >= 128.2543 and attr rmsd <= 129.0543 )) 3.6 3.6 1.4 peak 432 ppm1 6.8758 ppm2 9.846252 volume 18800000 weight 1.0 REMARK dnoe: 3.446063 position 9.846453 7.027981 ASSI { 433 } ( attr rmsd >= 6.987981 and attr rmsd <= 7.067981 ) (( attr rmsd >= 9.806453 and attr rmsd <= 9.886453 ) and bondedto ( attr rmsd >= 128.2543 and attr rmsd <= 129.0543 )) 3.6 3.6 1.4 peak 433 ppm1 7.027981 ppm2 9.846453 volume 9840000 weight 1.0 REMARK dnoe: 3.09359 position 9.84528 1.506481 ASSI { 434 } ( attr rmsd >= 1.466481 and attr rmsd <= 1.546481 ) (( attr rmsd >= 9.80528 and attr rmsd <= 9.88528 ) and bondedto ( attr rmsd >= 128.1738 and attr rmsd <= 128.9738 )) 3.6 3.6 1.4 peak 434 ppm1 1.506481 ppm2 9.84528 volume 18800000 weight 1.0 REMARK dnoe: 3.201649 position 9.848082 1.094297 ASSI { 435 } ( attr rmsd >= 1.054297 and attr rmsd <= 1.134297 ) (( attr rmsd >= 9.808082 and attr rmsd <= 9.888082 ) and bondedto ( attr rmsd >= 128.1963 and attr rmsd <= 128.9963 )) 3.6 3.6 1.4 peak 435 ppm1 1.094297 ppm2 9.848082 volume 15300000 weight 1.0 REMARK dnoe: 3.784384 position 9.847858 0.6139116 ASSI { 436 } ( attr rmsd >= 0.5739116 and attr rmsd <= 0.6539117 ) (( attr rmsd >= 9.807858 and attr rmsd <= 9.887858 ) and bondedto ( attr rmsd >= 128.1978 and attr rmsd <= 128.9978 )) 4.2 4.2 1.8 peak 436 ppm1 0.6139116 ppm2 9.847858 volume 5610000 weight 1.0 REMARK dnoe: 3.625208 position 9.847858 0.4609342 ASSI { 437 } ( attr rmsd >= 0.4209342 and attr rmsd <= 0.5009342 ) (( attr rmsd >= 9.807858 and attr rmsd <= 9.887858 ) and bondedto ( attr rmsd >= 128.2342 and attr rmsd <= 129.0342 )) 4.2 4.2 1.8 peak 437 ppm1 0.4609342 ppm2 9.847858 volume 7260000 weight 1.0 REMARK dnoe: 3.184536 position 9.846674 0.1715074 ASSI { 438 } ( attr rmsd >= 0.1315074 and attr rmsd <= 0.2115074 ) (( attr rmsd >= 9.806674 and attr rmsd <= 9.886674 ) and bondedto ( attr rmsd >= 128.2209 and attr rmsd <= 129.0209 )) 3.6 3.6 1.4 peak 438 ppm1 0.1715074 ppm2 9.846674 volume 15800001 weight 1.0 REMARK dnoe: 2.995711 position 9.850226 -0.0976629 ASSI { 439 } ( attr rmsd >= -0.1376629 and attr rmsd <= -0.0576629 ) (( attr rmsd >= 9.810226 and attr rmsd <= 9.890226 ) and bondedto ( attr rmsd >= 128.1951 and attr rmsd <= 128.9951 )) 3.0 3.0 0.5999999 peak 439 ppm1 -0.0976629 ppm2 9.850226 volume 22800000 weight 1.0 REMARK dnoe: 3.004561 position 9.847858 -0.1749139 ASSI { 440 } ( attr rmsd >= -0.2149139 and attr rmsd <= -0.1349139 ) (( attr rmsd >= 9.807858 and attr rmsd <= 9.887858 ) and bondedto ( attr rmsd >= 128.1951 and attr rmsd <= 128.9951 )) 3.6 3.6 1.4 peak 440 ppm1 -0.1749139 ppm2 9.847858 volume 22400000 weight 1.0 REMARK dnoe: 2.38561 position 10.01148 7.305357 ASSI { 442 } ( attr rmsd >= 7.265357 and attr rmsd <= 7.345357 ) (( attr rmsd >= 9.97148 and attr rmsd <= 10.05148 ) and bondedto ( attr rmsd >= 130.0116 and attr rmsd <= 130.8116 )) 2.5 2.5 0.2 peak 442 ppm1 7.305357 ppm2 10.01148 volume 89400000 weight 1.0 REMARK dnoe: 3.3433 position 10.0133 0.7765491 ASSI { 443 } ( attr rmsd >= 0.7365491 and attr rmsd <= 0.8165491 ) (( attr rmsd >= 9.9733 and attr rmsd <= 10.0533 ) and bondedto ( attr rmsd >= 130.0917 and attr rmsd <= 130.8917 )) 3.6 3.6 1.4 peak 443 ppm1 0.7765491 ppm2 10.0133 volume 11800000 weight 1.0 REMARK dnoe: 3.594514 position 10.00985 1.906216 ASSI { 444 } ( attr rmsd >= 1.866216 and attr rmsd <= 1.946216 ) (( attr rmsd >= 9.96985 and attr rmsd <= 10.04985 ) and bondedto ( attr rmsd >= 130.0518 and attr rmsd <= 130.8518 )) 3.6 3.6 1.4 peak 444 ppm1 1.906216 ppm2 10.00985 volume 7640000 weight 1.0 REMARK dnoe: 3.699308 position 10.0122 2.804178 ASSI { 445 } ( attr rmsd >= 2.764178 and attr rmsd <= 2.844178 ) (( attr rmsd >= 9.9722 and attr rmsd <= 10.0522 ) and bondedto ( attr rmsd >= 130.0717 and attr rmsd <= 130.8717 )) 4.2 4.2 1.8 peak 445 ppm1 2.804178 ppm2 10.0122 volume 6430000 weight 1.0 REMARK dnoe: 3.642125 position 10.0125 1.421048 ASSI { 446 } ( attr rmsd >= 1.381048 and attr rmsd <= 1.461048 ) (( attr rmsd >= 9.9725 and attr rmsd <= 10.0525 ) and bondedto ( attr rmsd >= 130.1715 and attr rmsd <= 130.9715 )) 4.2 4.2 1.8 peak 446 ppm1 1.421048 ppm2 10.0125 volume 0.706e+07 weight 1.0 REMARK dnoe: 3.315778 position 9.422264 0.7022285 ASSI { 447 } ( attr rmsd >= 0.6622285 and attr rmsd <= 0.7422285 ) (( attr rmsd >= 9.382264 and attr rmsd <= 9.462264 ) and bondedto ( attr rmsd >= 126.0573 and attr rmsd <= 126.8573 )) 3.6 3.6 1.4 peak 447 ppm1 0.7022285 ppm2 9.422264 volume 12400000 weight 1.0 REMARK dnoe: 3.457279 position 9.428629 1.093735 ASSI { 448 } ( attr rmsd >= 1.053735 and attr rmsd <= 1.133735 ) (( attr rmsd >= 9.388629 and attr rmsd <= 9.468629 ) and bondedto ( attr rmsd >= 126.0972 and attr rmsd <= 126.8972 )) 3.6 3.6 1.4 peak 448 ppm1 1.093735 ppm2 9.428629 volume 9650000 weight 1.0 REMARK dnoe: 2.843129 position 9.419075 1.514288 ASSI { 449 } ( attr rmsd >= 1.474288 and attr rmsd <= 1.554288 ) (( attr rmsd >= 9.379075 and attr rmsd <= 9.459075 ) and bondedto ( attr rmsd >= 126.0772 and attr rmsd <= 126.8772 )) 3.0 3.0 0.5999999 peak 449 ppm1 1.514288 ppm2 9.419075 volume 31200000 weight 1.0 REMARK dnoe: 2.984899 position 9.42067 1.934819 ASSI { 450 } ( attr rmsd >= 1.894819 and attr rmsd <= 1.974819 ) (( attr rmsd >= 9.38067 and attr rmsd <= 9.46067 ) and bondedto ( attr rmsd >= 126.0372 and attr rmsd <= 126.8372 )) 3.0 3.0 0.5999999 peak 450 ppm1 1.934819 ppm2 9.42067 volume 23300000 weight 1.0 REMARK dnoe: 2.801324 position 9.415887 1.804302 ASSI { 451 } ( attr rmsd >= 1.764302 and attr rmsd <= 1.844302 ) (( attr rmsd >= 9.375887 and attr rmsd <= 9.455887 ) and bondedto ( attr rmsd >= 126.0372 and attr rmsd <= 126.8372 )) 3.0 3.0 0.5999999 peak 451 ppm1 1.804302 ppm2 9.415887 volume 34100000 weight 1.0 REMARK dnoe: 3.548788 position 8.4629 5.055541 ASSI { 452 } ( attr rmsd >= 5.015541 and attr rmsd <= 5.095541 ) (( attr rmsd >= 8.4229 and attr rmsd <= 8.5029 ) and bondedto ( attr rmsd >= 125.4491 and attr rmsd <= 126.2491 )) 3.6 3.6 1.4 peak 452 ppm1 5.055541 ppm2 8.4629 volume 8250000 weight 1.0 REMARK dnoe: 2.623858 position 8.462971 4.252882 ASSI { 454 } ( attr rmsd >= 4.212882 and attr rmsd <= 4.292882 ) (( attr rmsd >= 8.422971 and attr rmsd <= 8.502971 ) and bondedto ( attr rmsd >= 125.4274 and attr rmsd <= 126.2274 )) 3.0 3.0 0.5999999 peak 454 ppm1 4.252882 ppm2 8.462971 volume 50500000 weight 1.0 REMARK dnoe: 2.806838 position 8.465093 2.241431 ASSI { 455 } ( attr rmsd >= 2.201431 and attr rmsd <= 2.281431 ) (( attr rmsd >= 8.425093 and attr rmsd <= 8.505093 ) and bondedto ( attr rmsd >= 125.419 and attr rmsd <= 126.219 )) 3.0 3.0 0.5999999 peak 455 ppm1 2.241431 ppm2 8.465093 volume 33700000 weight 1.0 REMARK dnoe: 2.758526 position 8.467297 1.822119 ASSI { 456 } ( attr rmsd >= 1.782119 and attr rmsd <= 1.862119 ) (( attr rmsd >= 8.427297 and attr rmsd <= 8.507297 ) and bondedto ( attr rmsd >= 125.426 and attr rmsd <= 126.226 )) 3.0 3.0 0.5999999 peak 456 ppm1 1.822119 ppm2 8.467297 volume 37400000 weight 1.0 REMARK dnoe: 2.927108 position 8.4629 0.758707 ASSI { 457 } ( attr rmsd >= 0.718707 and attr rmsd <= 0.798707 ) (( attr rmsd >= 8.4229 and attr rmsd <= 8.5029 ) and bondedto ( attr rmsd >= 125.4442 and attr rmsd <= 126.2442 )) 3.0 3.0 0.5999999 peak 457 ppm1 0.758707 ppm2 8.4629 volume 26200000 weight 1.0 REMARK dnoe: 3.830104 position 8.471692 1.307716 ASSI { 458 } ( attr rmsd >= 1.267716 and attr rmsd <= 1.347716 ) (( attr rmsd >= 8.431692 and attr rmsd <= 8.511692 ) and bondedto ( attr rmsd >= 125.478 and attr rmsd <= 126.278 )) 4.2 4.2 1.8 peak 458 ppm1 1.307716 ppm2 8.471692 volume 5220000 weight 1.0 REMARK dnoe: 3.198175 position 6.698991 1.782779 ASSI { 459 } ( attr rmsd >= 1.742779 and attr rmsd <= 1.822779 ) (( attr rmsd >= 6.658991 and attr rmsd <= 6.738991 ) and bondedto ( attr rmsd >= 110.9782 and attr rmsd <= 111.7782 )) 3.6 3.6 1.4 peak 459 ppm1 1.782779 ppm2 6.698991 volume 15400000 weight 1.0
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