NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
1348 | 1aj3 | cing | recoord | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
# Unambiguous distance restraints # ASSI { 1} (( segid " " and resid "9 " and name "HA ")) (( segid " " and resid "12 " and name "HB2 ")) 3.500 2.500 0.150 peak 1 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 2} (( segid " " and resid "9 " and name "HA ")) (( segid " " and resid "12 " and name "HN ")) 3.400 2.500 0.150 peak 2 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 3} (( segid " " and resid "9 " and name "O ")) (( segid " " and resid "13 " and name "HN ")) 2.700 2.500 0.150 peak 3 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 4} (( segid " " and resid "9 " and name "O ")) (( segid " " and resid "13 " and name "N ")) 3.700 2.500 0.150 peak 4 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 5} (( segid " " and resid "10 " and name "HA ")) (( segid " " and resid "13 " and name "HB2 ")) 3.500 2.500 0.150 peak 5 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 6} (( segid " " and resid "10 " and name "HA ")) (( segid " " and resid "13 " and name "HN ")) 3.400 2.500 0.150 peak 6 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 7} (( segid " " and resid "10 " and name "O ")) (( segid " " and resid "14 " and name "HN ")) 2.700 2.500 0.150 peak 7 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 8} (( segid " " and resid "10 " and name "O ")) (( segid " " and resid "14 " and name "N ")) 3.700 2.500 0.150 peak 8 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 9} (( segid " " and resid "11 " and name "HA ")) (( segid " " and resid "14 " and name "HB2 ")) 3.500 2.500 0.150 peak 9 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 10} (( segid " " and resid "11 " and name "HA ")) (( segid " " and resid "14 " and name "HN ")) 3.400 2.500 0.150 peak 10 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 11} (( segid " " and resid "11 " and name "O ")) (( segid " " and resid "15 " and name "HN ")) 2.700 2.500 0.150 peak 11 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 12} (( segid " " and resid "11 " and name "O ")) (( segid " " and resid "15 " and name "N ")) 3.700 2.500 0.150 peak 12 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 13} (( segid " " and resid "12 " and name "HA ")) (( segid " " and resid "15 " and name "HB2 ")) 3.500 2.500 0.150 peak 13 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 14} (( segid " " and resid "12 " and name "HA ")) (( segid " " and resid "15 " and name "HN ")) 3.400 2.500 0.150 peak 14 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 15} (( segid " " and resid "12 " and name "O ")) (( segid " " and resid "16 " and name "HN ")) 2.700 2.500 0.150 peak 15 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 16} (( segid " " and resid "12 " and name "O ")) (( segid " " and resid "16 " and name "N ")) 3.700 2.500 0.150 peak 16 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 17} (( segid " " and resid "13 " and name "HA ")) (( segid " " and resid "16 " and name "HB2 ")) 3.500 2.500 0.150 peak 17 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 18} (( segid " " and resid "13 " and name "HA ")) (( segid " " and resid "16 " and name "HN ")) 3.400 2.500 0.150 peak 18 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 19} (( segid " " and resid "13 " and name "O ")) (( segid " " and resid "17 " and name "HN ")) 2.700 2.500 0.150 peak 19 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 20} (( segid " " and resid "13 " and name "O ")) (( segid " " and resid "17 " and name "N ")) 3.700 2.500 0.150 peak 20 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 21} (( segid " " and resid "14 " and name "O ")) (( segid " " and resid "18 " and name "HN ")) 2.700 2.500 0.150 peak 21 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 22} (( segid " " and resid "14 " and name "O ")) (( segid " " and resid "18 " and name "N ")) 3.700 2.500 0.150 peak 22 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 23} (( segid " " and resid "14 " and name "HA ")) (( segid " " and resid "17 " and name "HB2 ")) 3.500 2.500 0.150 peak 23 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 24} (( segid " " and resid "14 " and name "HA ")) (( segid " " and resid "17 " and name "HN ")) 3.400 2.500 0.150 peak 24 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 25} (( segid " " and resid "15 " and name "HA ")) (( segid " " and resid "18 " and name "HB2 ")) 3.500 2.500 0.150 peak 25 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 26} (( segid " " and resid "15 " and name "HA ")) (( segid " " and resid "18 " and name "HN ")) 3.400 2.500 0.150 peak 26 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 27} (( segid " " and resid "15 " and name "O ")) (( segid " " and resid "19 " and name "HN ")) 2.700 2.500 0.150 peak 27 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 28} (( segid " " and resid "15 " and name "O ")) (( segid " " and resid "19 " and name "N ")) 3.700 2.500 0.150 peak 28 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 29} (( segid " " and resid "16 " and name "HA ")) (( segid " " and resid "19 " and name "HB2 ")) 3.500 2.500 0.150 peak 29 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 30} (( segid " " and resid "16 " and name "HA ")) (( segid " " and resid "19 " and name "HN ")) 3.400 2.500 0.150 peak 30 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 31} (( segid " " and resid "16 " and name "O ")) (( segid " " and resid "20 " and name "HN ")) 2.700 2.500 0.150 peak 31 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 32} (( segid " " and resid "16 " and name "O ")) (( segid " " and resid "20 " and name "N ")) 3.700 2.500 0.150 peak 32 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 33} (( segid " " and resid "17 " and name "HA ")) (( segid " " and resid "20 " and name "HB2 ")) 3.500 2.500 0.150 peak 33 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 34} (( segid " " and resid "17 " and name "HA ")) (( segid " " and resid "20 " and name "HN ")) 3.400 2.500 0.150 peak 34 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 35} (( segid " " and resid "17 " and name "O ")) (( segid " " and resid "21 " and name "HN ")) 2.700 2.500 0.150 peak 35 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 36} (( segid " " and resid "17 " and name "O ")) (( segid " " and resid "21 " and name "N ")) 3.700 2.500 0.150 peak 36 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 37} (( segid " " and resid "18 " and name "HA ")) (( segid " " and resid "21 " and name "HB2 ")) 3.500 2.500 0.150 peak 37 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 38} (( segid " " and resid "18 " and name "HA ")) (( segid " " and resid "21 " and name "HN ")) 3.400 2.500 0.150 peak 38 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 39} (( segid " " and resid "18 " and name "O ")) (( segid " " and resid "22 " and name "HN ")) 2.700 2.500 0.150 peak 39 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 40} (( segid " " and resid "18 " and name "O ")) (( segid " " and resid "22 " and name "N ")) 3.700 2.500 0.150 peak 40 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 41} (( segid " " and resid "19 " and name "HA ")) (( segid " " and resid "22 " and name "HB2 ")) 3.500 2.500 0.150 peak 41 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 42} (( segid " " and resid "19 " and name "HA ")) (( segid " " and resid "22 " and name "HN ")) 3.400 2.500 0.150 peak 42 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 43} (( segid " " and resid "19 " and name "O ")) (( segid " " and resid "23 " and name "HN ")) 2.700 2.500 0.150 peak 43 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 44} (( segid " " and resid "19 " and name "O ")) (( segid " " and resid "23 " and name "N ")) 3.700 2.500 0.150 peak 44 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 45} (( segid " " and resid "20 " and name "HA ")) (( segid " " and resid "23 " and name "HB ")) 3.500 2.500 0.150 peak 45 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 46} (( segid " " and resid "20 " and name "HA ")) (( segid " " and resid "23 " and name "HN ")) 3.400 2.500 0.150 peak 46 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 47} (( segid " " and resid "20 " and name "O ")) (( segid " " and resid "24 " and name "HN ")) 2.700 2.500 0.150 peak 47 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 48} (( segid " " and resid "20 " and name "O ")) (( segid " " and resid "24 " and name "N ")) 3.700 2.500 0.150 peak 48 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 49} (( segid " " and resid "21 " and name "HA ")) (( segid " " and resid "24 " and name "HB2 ")) 3.500 2.500 0.150 peak 49 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 50} (( segid " " and resid "21 " and name "HA ")) (( segid " " and resid "24 " and name "HN ")) 3.400 2.500 0.150 peak 50 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 51} (( segid " " and resid "21 " and name "O ")) (( segid " " and resid "25 " and name "HN ")) 2.700 2.500 0.150 peak 51 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 52} (( segid " " and resid "21 " and name "O ")) (( segid " " and resid "25 " and name "N ")) 3.700 2.500 0.150 peak 52 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 53} (( segid " " and resid "22 " and name "HA ")) (( segid " " and resid "25 " and name "HB2 ")) 3.500 2.500 0.150 peak 53 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 54} (( segid " " and resid "22 " and name "HA ")) (( segid " " and resid "25 " and name "HN ")) 3.400 2.500 0.150 peak 54 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 55} (( segid " " and resid "22 " and name "O ")) (( segid " " and resid "26 " and name "HN ")) 2.700 2.500 0.150 peak 55 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 56} (( segid " " and resid "22 " and name "O ")) (( segid " " and resid "26 " and name "N ")) 3.700 2.500 0.150 peak 56 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 57} (( segid " " and resid "23 " and name "HA ")) (( segid " " and resid "26 " and name "HB2 ")) 3.500 2.500 0.150 peak 57 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 58} (( segid " " and resid "23 " and name "HA ")) (( segid " " and resid "26 " and name "HN ")) 3.400 2.500 0.150 peak 58 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 59} (( segid " " and resid "23 " and name "O ")) (( segid " " and resid "27 " and name "HN ")) 2.700 2.500 0.150 peak 59 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 60} (( segid " " and resid "23 " and name "O ")) (( segid " " and resid "27 " and name "N ")) 3.700 2.500 0.150 peak 60 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 61} (( segid " " and resid "24 " and name "HA ")) (( segid " " and resid "27 " and name "HB2 ")) 3.500 2.500 0.150 peak 61 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 62} (( segid " " and resid "24 " and name "HA ")) (( segid " " and resid "27 " and name "HN ")) 3.400 2.500 0.150 peak 62 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 63} (( segid " " and resid "24 " and name "O ")) (( segid " " and resid "28 " and name "HN ")) 2.700 2.500 0.150 peak 63 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 64} (( segid " " and resid "24 " and name "O ")) (( segid " " and resid "28 " and name "N ")) 3.700 2.500 0.150 peak 64 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 65} (( segid " " and resid "25 " and name "HA ")) (( segid " " and resid "28 " and name "HB2 ")) 3.500 2.500 0.150 peak 65 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 66} (( segid " " and resid "25 " and name "HA ")) (( segid " " and resid "28 " and name "HN ")) 3.400 2.500 0.150 peak 66 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 67} (( segid " " and resid "25 " and name "O ")) (( segid " " and resid "29 " and name "HN ")) 2.700 2.500 0.150 peak 67 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 68} (( segid " " and resid "25 " and name "O ")) (( segid " " and resid "29 " and name "N ")) 3.700 2.500 0.150 peak 68 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 69} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "29 " and name "HB2 ")) 3.500 2.500 0.150 peak 69 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 70} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "29 " and name "HN ")) 3.400 2.500 0.150 peak 70 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 71} (( segid " " and resid "26 " and name "O ")) (( segid " " and resid "30 " and name "HN ")) 2.700 2.500 0.150 peak 71 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 72} (( segid " " and resid "26 " and name "O ")) (( segid " " and resid "30 " and name "N ")) 3.700 2.500 0.150 peak 72 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 73} (( segid " " and resid "27 " and name "HA ")) (( segid " " and resid "30 " and name "HB ")) 3.500 2.500 0.150 peak 73 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 74} (( segid " " and resid "27 " and name "HA ")) (( segid " " and resid "30 " and name "HN ")) 3.400 2.500 0.150 peak 74 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 75} (( segid " " and resid "27 " and name "O ")) (( segid " " and resid "31 " and name "HN ")) 2.700 2.500 0.150 peak 75 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 76} (( segid " " and resid "27 " and name "O ")) (( segid " " and resid "31 " and name "N ")) 3.700 2.500 0.150 peak 76 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 77} (( segid " " and resid "28 " and name "HA ")) (( segid " " and resid "31 " and name "HB2 ")) 3.500 2.500 0.150 peak 77 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 78} (( segid " " and resid "28 " and name "HA ")) (( segid " " and resid "31 " and name "HN ")) 3.400 2.500 0.150 peak 78 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 79} (( segid " " and resid "28 " and name "O ")) (( segid " " and resid "32 " and name "HN ")) 2.700 2.500 0.150 peak 79 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 80} (( segid " " and resid "28 " and name "O ")) (( segid " " and resid "32 " and name "N ")) 3.700 2.500 0.150 peak 80 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 81} (( segid " " and resid "29 " and name "HA ")) (( segid " " and resid "32 " and name "HB2 ")) 3.500 2.500 0.150 peak 81 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 82} (( segid " " and resid "29 " and name "HA ")) (( segid " " and resid "32 " and name "HN ")) 3.400 2.500 0.150 peak 82 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 83} (( segid " " and resid "41 " and name "O ")) (( segid " " and resid "45 " and name "HN ")) 2.700 2.500 0.150 peak 83 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 84} (( segid " " and resid "41 " and name "O ")) (( segid " " and resid "45 " and name "N ")) 3.700 2.500 0.150 peak 84 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 85} (( segid " " and resid "41 " and name "HA2 ")) (( segid " " and resid "44 " and name "HB2 ")) 4.500 2.500 0.150 peak 85 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 OR { 85} (( segid " " and resid "41 " and name "HA1 ")) (( segid " " and resid "44 " and name "HB2 ")) ASSI { 86} (( segid " " and resid "41 " and name "HA2 ")) (( segid " " and resid "44 " and name "HN ")) 4.400 2.500 0.150 peak 86 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 OR { 86} (( segid " " and resid "41 " and name "HA1 ")) (( segid " " and resid "44 " and name "HN ")) ASSI { 87} (( segid " " and resid "42 " and name "HA ")) (( segid " " and resid "45 " and name "HB2 ")) 3.500 2.500 0.150 peak 87 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 88} (( segid " " and resid "42 " and name "HA ")) (( segid " " and resid "45 " and name "HN ")) 3.400 2.500 0.150 peak 88 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 89} (( segid " " and resid "42 " and name "O ")) (( segid " " and resid "46 " and name "HN ")) 2.700 2.500 0.150 peak 89 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 90} (( segid " " and resid "42 " and name "O ")) (( segid " " and resid "46 " and name "N ")) 3.700 2.500 0.150 peak 90 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 91} (( segid " " and resid "43 " and name "HA ")) (( segid " " and resid "46 " and name "HB2 ")) 3.500 2.500 0.150 peak 91 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 92} (( segid " " and resid "43 " and name "HA ")) (( segid " " and resid "46 " and name "HN ")) 3.400 2.500 0.150 peak 92 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 93} (( segid " " and resid "43 " and name "O ")) (( segid " " and resid "47 " and name "HN ")) 2.700 2.500 0.150 peak 93 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 94} (( segid " " and resid "43 " and name "O ")) (( segid " " and resid "47 " and name "N ")) 3.700 2.500 0.150 peak 94 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 95} (( segid " " and resid "44 " and name "HA ")) (( segid " " and resid "47 " and name "HB2 ")) 3.500 2.500 0.150 peak 95 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 96} (( segid " " and resid "44 " and name "HA ")) (( segid " " and resid "47 " and name "HN ")) 3.400 2.500 0.150 peak 96 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 97} (( segid " " and resid "44 " and name "O ")) (( segid " " and resid "48 " and name "HN ")) 2.700 2.500 0.150 peak 97 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 98} (( segid " " and resid "44 " and name "O ")) (( segid " " and resid "48 " and name "N ")) 3.700 2.500 0.150 peak 98 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 99} (( segid " " and resid "45 " and name "HA ")) (( segid " " and resid "48 " and name "HB2 ")) 3.500 2.500 0.150 peak 99 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 100} (( segid " " and resid "45 " and name "HA ")) (( segid " " and resid "48 " and name "HN ")) 3.400 2.500 0.150 peak 100 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 101} (( segid " " and resid "45 " and name "O ")) (( segid " " and resid "49 " and name "HN ")) 2.700 2.500 0.150 peak 101 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 102} (( segid " " and resid "45 " and name "O ")) (( segid " " and resid "49 " and name "N ")) 3.700 2.500 0.150 peak 102 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 103} (( segid " " and resid "46 " and name "O ")) (( segid " " and resid "50 " and name "HN ")) 2.700 2.500 0.150 peak 103 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 104} (( segid " " and resid "46 " and name "O ")) (( segid " " and resid "50 " and name "N ")) 3.700 2.500 0.150 peak 104 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 105} (( segid " " and resid "46 " and name "HA ")) (( segid " " and resid "49 " and name "HB2 ")) 3.500 2.500 0.150 peak 105 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 106} (( segid " " and resid "46 " and name "HA ")) (( segid " " and resid "49 " and name "HN ")) 3.400 2.500 0.150 peak 106 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 107} (( segid " " and resid "47 " and name "HA ")) (( segid " " and resid "50 " and name "HB2 ")) 3.500 2.500 0.150 peak 107 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 108} (( segid " " and resid "47 " and name "HA ")) (( segid " " and resid "50 " and name "HN ")) 3.400 2.500 0.150 peak 108 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 109} (( segid " " and resid "47 " and name "O ")) (( segid " " and resid "51 " and name "HN ")) 2.700 2.500 0.150 peak 109 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 110} (( segid " " and resid "47 " and name "O ")) (( segid " " and resid "51 " and name "N ")) 3.700 2.500 0.150 peak 110 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 111} (( segid " " and resid "48 " and name "HA ")) (( segid " " and resid "51 " and name "HB2 ")) 3.500 2.500 0.150 peak 111 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 112} (( segid " " and resid "48 " and name "HA ")) (( segid " " and resid "51 " and name "HN ")) 3.400 2.500 0.150 peak 112 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 113} (( segid " " and resid "48 " and name "O ")) (( segid " " and resid "52 " and name "HN ")) 2.700 2.500 0.150 peak 113 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 114} (( segid " " and resid "48 " and name "O ")) (( segid " " and resid "52 " and name "N ")) 3.700 2.500 0.150 peak 114 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 115} (( segid " " and resid "49 " and name "HA ")) (( segid " " and resid "52 " and name "HB2 ")) 3.500 2.500 0.150 peak 115 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 116} (( segid " " and resid "49 " and name "HA ")) (( segid " " and resid "52 " and name "HN ")) 3.400 2.500 0.150 peak 116 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 117} (( segid " " and resid "49 " and name "O ")) (( segid " " and resid "53 " and name "HN ")) 2.700 2.500 0.150 peak 117 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 118} (( segid " " and resid "49 " and name "O ")) (( segid " " and resid "53 " and name "N ")) 3.700 2.500 0.150 peak 118 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 119} (( segid " " and resid "50 " and name "HA ")) (( segid " " and resid "53 " and name "HB2 ")) 3.500 2.500 0.150 peak 119 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 120} (( segid " " and resid "50 " and name "HA ")) (( segid " " and resid "53 " and name "HN ")) 3.400 2.500 0.150 peak 120 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 121} (( segid " " and resid "50 " and name "O ")) (( segid " " and resid "54 " and name "HN ")) 2.700 2.500 0.150 peak 121 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 122} (( segid " " and resid "50 " and name "O ")) (( segid " " and resid "54 " and name "N ")) 3.700 2.500 0.150 peak 122 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 123} (( segid " " and resid "51 " and name "O ")) (( segid " " and resid "55 " and name "HN ")) 2.700 2.500 0.150 peak 123 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 124} (( segid " " and resid "51 " and name "O ")) (( segid " " and resid "55 " and name "N ")) 3.700 2.500 0.150 peak 124 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 125} (( segid " " and resid "51 " and name "HA ")) (( segid " " and resid "54 " and name "HN ")) 3.400 2.500 0.150 peak 125 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 126} (( segid " " and resid "51 " and name "HA ")) (( segid " " and resid "54 " and name "HB1 ") OR ( segid " " and resid "54 " and name "HB3 ") OR ( segid " " and resid "54 " and name "HB2 ")) 3.500 2.500 0.150 peak 126 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 127} (( segid " " and resid "52 " and name "HA ")) (( segid " " and resid "55 " and name "HB2 ")) 3.500 2.500 0.150 peak 127 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 128} (( segid " " and resid "52 " and name "HA ")) (( segid " " and resid "55 " and name "HN ")) 3.400 2.500 0.150 peak 128 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 129} (( segid " " and resid "52 " and name "O ")) (( segid " " and resid "56 " and name "HN ")) 2.700 2.500 0.150 peak 129 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 130} (( segid " " and resid "52 " and name "O ")) (( segid " " and resid "56 " and name "N ")) 3.700 2.500 0.150 peak 130 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 131} (( segid " " and resid "53 " and name "HA ")) (( segid " " and resid "56 " and name "HB2 ")) 3.500 2.500 0.150 peak 131 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 132} (( segid " " and resid "53 " and name "HA ")) (( segid " " and resid "56 " and name "HN ")) 3.400 2.500 0.150 peak 132 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 133} (( segid " " and resid "53 " and name "O ")) (( segid " " and resid "57 " and name "HN ")) 2.700 2.500 0.150 peak 133 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 134} (( segid " " and resid "53 " and name "O ")) (( segid " " and resid "57 " and name "N ")) 3.700 2.500 0.150 peak 134 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 135} (( segid " " and resid "54 " and name "HA ")) (( segid " " and resid "57 " and name "HN ")) 3.400 2.500 0.150 peak 135 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 136} (( segid " " and resid "54 " and name "HA ")) (( segid " " and resid "57 " and name "HB1 ") OR ( segid " " and resid "57 " and name "HB3 ") OR ( segid " " and resid "57 " and name "HB2 ")) 3.500 2.500 0.150 peak 136 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 137} (( segid " " and resid "54 " and name "O ")) (( segid " " and resid "58 " and name "HN ")) 3.700 2.500 0.150 peak 137 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 138} (( segid " " and resid "54 " and name "O ")) (( segid " " and resid "58 " and name "N ")) 4.700 2.500 0.150 peak 138 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 139} (( segid " " and resid "55 " and name "HA ")) (( segid " " and resid "58 " and name "HN ")) 4.000 2.500 0.150 peak 139 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 140} (( segid " " and resid "55 " and name "HA ")) (( segid " " and resid "58 " and name "HB1 ") OR ( segid " " and resid "58 " and name "HB3 ") OR ( segid " " and resid "58 " and name "HB2 ")) 4.000 2.500 0.150 peak 140 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 141} (( segid " " and resid "55 " and name "O ")) (( segid " " and resid "59 " and name "HN ")) 3.700 2.500 0.150 peak 141 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 142} (( segid " " and resid "55 " and name "O ")) (( segid " " and resid "59 " and name "N ")) 4.700 2.500 0.150 peak 142 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 143} (( segid " " and resid "56 " and name "HA ")) (( segid " " and resid "59 " and name "HB2 ")) 4.000 2.500 0.150 peak 143 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 144} (( segid " " and resid "56 " and name "HA ")) (( segid " " and resid "59 " and name "HN ")) 4.000 2.500 0.150 peak 144 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 145} (( segid " " and resid "56 " and name "O ")) (( segid " " and resid "60 " and name "HN ")) 3.700 2.500 0.150 peak 145 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 146} (( segid " " and resid "56 " and name "O ")) (( segid " " and resid "60 " and name "N ")) 4.700 2.500 0.150 peak 146 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 147} (( segid " " and resid "57 " and name "HA ")) (( segid " " and resid "60 " and name "HB2 ")) 4.000 2.500 0.150 peak 147 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 148} (( segid " " and resid "57 " and name "HA ")) (( segid " " and resid "60 " and name "HN ")) 4.000 2.500 0.150 peak 148 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 149} (( segid " " and resid "58 " and name "HA ")) (( segid " " and resid "61 " and name "HB2 ")) 4.000 2.500 0.150 peak 149 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 150} (( segid " " and resid "58 " and name "O ")) (( segid " " and resid "62 " and name "HN ")) 3.700 2.500 0.150 peak 150 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 151} (( segid " " and resid "58 " and name "O ")) (( segid " " and resid "62 " and name "N ")) 4.700 2.500 0.150 peak 151 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 152} (( segid " " and resid "59 " and name "HA ")) (( segid " " and resid "62 " and name "HN ")) 4.000 2.500 0.150 peak 152 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 153} (( segid " " and resid "59 " and name "HA ")) (( segid " " and resid "62 " and name "HB1 ") OR ( segid " " and resid "62 " and name "HB3 ") OR ( segid " " and resid "62 " and name "HB2 ")) 4.000 2.500 0.150 peak 153 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 154} (( segid " " and resid "59 " and name "O ")) (( segid " " and resid "63 " and name "HN ")) 3.700 2.500 0.150 peak 154 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 155} (( segid " " and resid "59 " and name "O ")) (( segid " " and resid "63 " and name "N ")) 4.700 2.500 0.150 peak 155 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 156} (( segid " " and resid "60 " and name "HA ")) (( segid " " and resid "63 " and name "HB ")) 4.000 2.500 0.150 peak 156 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 157} (( segid " " and resid "60 " and name "HA ")) (( segid " " and resid "63 " and name "HN ")) 4.000 2.500 0.150 peak 157 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 158} (( segid " " and resid "60 " and name "O ")) (( segid " " and resid "64 " and name "HN ")) 3.700 2.500 0.150 peak 158 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 159} (( segid " " and resid "60 " and name "O ")) (( segid " " and resid "64 " and name "N ")) 4.700 2.500 0.150 peak 159 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 160} (( segid " " and resid "61 " and name "HA ")) (( segid " " and resid "64 " and name "HB2 ")) 4.000 2.500 0.150 peak 160 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 161} (( segid " " and resid "61 " and name "HA ")) (( segid " " and resid "64 " and name "HN ")) 4.000 2.500 0.150 peak 161 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 162} (( segid " " and resid "61 " and name "O ")) (( segid " " and resid "65 " and name "HN ")) 3.700 2.500 0.150 peak 162 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 163} (( segid " " and resid "61 " and name "O ")) (( segid " " and resid "65 " and name "N ")) 4.700 2.500 0.150 peak 163 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 164} (( segid " " and resid "62 " and name "HA ")) (( segid " " and resid "65 " and name "HN ")) 4.000 2.500 0.150 peak 164 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 165} (( segid " " and resid "62 " and name "O ")) (( segid " " and resid "66 " and name "HN ")) 3.700 2.500 0.150 peak 165 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 166} (( segid " " and resid "62 " and name "O ")) (( segid " " and resid "66 " and name "N ")) 4.700 2.500 0.150 peak 166 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 167} (( segid " " and resid "63 " and name "HA ")) (( segid " " and resid "66 " and name "HB ")) 3.500 2.500 0.150 peak 167 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 168} (( segid " " and resid "63 " and name "HA ")) (( segid " " and resid "66 " and name "HN ")) 3.400 2.500 0.150 peak 168 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 169} (( segid " " and resid "63 " and name "O ")) (( segid " " and resid "67 " and name "HN ")) 2.700 2.500 0.150 peak 169 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 170} (( segid " " and resid "63 " and name "O ")) (( segid " " and resid "67 " and name "N ")) 3.700 2.500 0.150 peak 170 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 171} (( segid " " and resid "64 " and name "HA ")) (( segid " " and resid "67 " and name "HB2 ")) 3.500 2.500 0.150 peak 171 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 172} (( segid " " and resid "64 " and name "HA ")) (( segid " " and resid "67 " and name "HN ")) 3.400 2.500 0.150 peak 172 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 173} (( segid " " and resid "64 " and name "O ")) (( segid " " and resid "68 " and name "HN ")) 2.700 2.500 0.150 peak 173 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 174} (( segid " " and resid "64 " and name "O ")) (( segid " " and resid "68 " and name "N ")) 3.700 2.500 0.150 peak 174 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 175} (( segid " " and resid "65 " and name "O ")) (( segid " " and resid "69 " and name "HN ")) 2.700 2.500 0.150 peak 175 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 176} (( segid " " and resid "65 " and name "O ")) (( segid " " and resid "69 " and name "N ")) 3.700 2.500 0.150 peak 176 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 177} (( segid " " and resid "65 " and name "HA1 ")) (( segid " " and resid "68 " and name "HB2 ")) 4.500 2.500 0.150 peak 177 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 OR { 177} (( segid " " and resid "65 " and name "HA2 ")) (( segid " " and resid "68 " and name "HB2 ")) ASSI { 178} (( segid " " and resid "65 " and name "HA1 ")) (( segid " " and resid "68 " and name "HN ")) 4.400 2.500 0.150 peak 178 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 OR { 178} (( segid " " and resid "65 " and name "HA2 ")) (( segid " " and resid "68 " and name "HN ")) ASSI { 179} (( segid " " and resid "66 " and name "HA ")) (( segid " " and resid "69 " and name "HB ")) 3.500 2.500 0.150 peak 179 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 180} (( segid " " and resid "66 " and name "HA ")) (( segid " " and resid "69 " and name "HN ")) 3.400 2.500 0.150 peak 180 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 181} (( segid " " and resid "66 " and name "O ")) (( segid " " and resid "70 " and name "HN ")) 2.700 2.500 0.150 peak 181 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 182} (( segid " " and resid "66 " and name "O ")) (( segid " " and resid "70 " and name "N ")) 3.700 2.500 0.150 peak 182 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 183} (( segid " " and resid "67 " and name "HA ")) (( segid " " and resid "70 " and name "HN ")) 3.400 2.500 0.150 peak 183 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 184} (( segid " " and resid "67 " and name "O ")) (( segid " " and resid "71 " and name "HN ")) 2.700 2.500 0.150 peak 184 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 185} (( segid " " and resid "67 " and name "O ")) (( segid " " and resid "71 " and name "N ")) 3.700 2.500 0.150 peak 185 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 186} (( segid " " and resid "68 " and name "HA ")) (( segid " " and resid "71 " and name "HB2 ")) 3.500 2.500 0.150 peak 186 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 187} (( segid " " and resid "68 " and name "HA ")) (( segid " " and resid "71 " and name "HN ")) 3.400 2.500 0.150 peak 187 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 188} (( segid " " and resid "68 " and name "O ")) (( segid " " and resid "72 " and name "HN ")) 2.700 2.500 0.150 peak 188 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 189} (( segid " " and resid "68 " and name "O ")) (( segid " " and resid "72 " and name "N ")) 3.700 2.500 0.150 peak 189 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 190} (( segid " " and resid "69 " and name "HA ")) (( segid " " and resid "72 " and name "HB2 ")) 3.500 2.500 0.150 peak 190 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 191} (( segid " " and resid "69 " and name "HA ")) (( segid " " and resid "72 " and name "HN ")) 3.400 2.500 0.150 peak 191 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 192} (( segid " " and resid "69 " and name "O ")) (( segid " " and resid "73 " and name "HN ")) 2.700 2.500 0.150 peak 192 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 193} (( segid " " and resid "69 " and name "O ")) (( segid " " and resid "73 " and name "N ")) 3.700 2.500 0.150 peak 193 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 194} (( segid " " and resid "70 " and name "O ")) (( segid " " and resid "74 " and name "HN ")) 2.700 2.500 0.150 peak 194 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 195} (( segid " " and resid "70 " and name "O ")) (( segid " " and resid "74 " and name "N ")) 3.700 2.500 0.150 peak 195 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 196} (( segid " " and resid "70 " and name "HA2 ")) (( segid " " and resid "73 " and name "HB2 ")) 4.500 2.500 0.150 peak 196 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 OR { 196} (( segid " " and resid "70 " and name "HA1 ")) (( segid " " and resid "73 " and name "HB2 ")) ASSI { 197} (( segid " " and resid "70 " and name "HA2 ")) (( segid " " and resid "73 " and name "HN ")) 4.400 2.500 0.150 peak 197 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 OR { 197} (( segid " " and resid "70 " and name "HA1 ")) (( segid " " and resid "73 " and name "HN ")) ASSI { 198} (( segid " " and resid "71 " and name "HA ")) (( segid " " and resid "74 " and name "HB2 ")) 3.500 2.500 0.150 peak 198 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 199} (( segid " " and resid "71 " and name "HA ")) (( segid " " and resid "74 " and name "HN ")) 3.400 2.500 0.150 peak 199 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 200} (( segid " " and resid "71 " and name "O ")) (( segid " " and resid "75 " and name "HN ")) 2.700 2.500 0.150 peak 200 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 201} (( segid " " and resid "71 " and name "O ")) (( segid " " and resid "75 " and name "N ")) 3.700 2.500 0.150 peak 201 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 202} (( segid " " and resid "72 " and name "HA ")) (( segid " " and resid "75 " and name "HB2 ")) 3.500 2.500 0.150 peak 202 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 203} (( segid " " and resid "72 " and name "HA ")) (( segid " " and resid "75 " and name "HN ")) 3.400 2.500 0.150 peak 203 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 204} (( segid " " and resid "81 " and name "HA ")) (( segid " " and resid "84 " and name "HB ")) 3.500 2.500 0.150 peak 204 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 205} (( segid " " and resid "81 " and name "HA ")) (( segid " " and resid "84 " and name "HN ")) 3.400 2.500 0.150 peak 205 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 206} (( segid " " and resid "81 " and name "O ")) (( segid " " and resid "85 " and name "HN ")) 2.700 2.500 0.150 peak 206 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 207} (( segid " " and resid "81 " and name "O ")) (( segid " " and resid "85 " and name "N ")) 3.700 2.500 0.150 peak 207 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 208} (( segid " " and resid "82 " and name "HA ")) (( segid " " and resid "85 " and name "HB2 ")) 3.500 2.500 0.150 peak 208 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 209} (( segid " " and resid "82 " and name "HA ")) (( segid " " and resid "85 " and name "HN ")) 3.400 2.500 0.150 peak 209 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 210} (( segid " " and resid "82 " and name "O ")) (( segid " " and resid "86 " and name "HN ")) 2.700 2.500 0.150 peak 210 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 211} (( segid " " and resid "82 " and name "O ")) (( segid " " and resid "86 " and name "N ")) 3.700 2.500 0.150 peak 211 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 212} (( segid " " and resid "83 " and name "HA ")) (( segid " " and resid "86 " and name "HB2 ")) 3.500 2.500 0.150 peak 212 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 213} (( segid " " and resid "83 " and name "HA ")) (( segid " " and resid "86 " and name "HN ")) 3.400 2.500 0.150 peak 213 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 214} (( segid " " and resid "83 " and name "O ")) (( segid " " and resid "87 " and name "HN ")) 2.700 2.500 0.150 peak 214 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 215} (( segid " " and resid "83 " and name "O ")) (( segid " " and resid "87 " and name "N ")) 3.700 2.500 0.150 peak 215 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 216} (( segid " " and resid "84 " and name "HA ")) (( segid " " and resid "87 " and name "HB2 ")) 3.500 2.500 0.150 peak 216 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 217} (( segid " " and resid "84 " and name "HA ")) (( segid " " and resid "87 " and name "HN ")) 3.400 2.500 0.150 peak 217 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 218} (( segid " " and resid "84 " and name "O ")) (( segid " " and resid "88 " and name "HN ")) 2.700 2.500 0.150 peak 218 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 219} (( segid " " and resid "84 " and name "O ")) (( segid " " and resid "88 " and name "N ")) 3.700 2.500 0.150 peak 219 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 220} (( segid " " and resid "85 " and name "HA ")) (( segid " " and resid "88 " and name "HB2 ")) 3.500 2.500 0.150 peak 220 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 221} (( segid " " and resid "85 " and name "HA ")) (( segid " " and resid "88 " and name "HN ")) 3.400 2.500 0.150 peak 221 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 222} (( segid " " and resid "85 " and name "O ")) (( segid " " and resid "89 " and name "HN ")) 2.700 2.500 0.150 peak 222 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 223} (( segid " " and resid "85 " and name "O ")) (( segid " " and resid "89 " and name "N ")) 3.700 2.500 0.150 peak 223 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 224} (( segid " " and resid "86 " and name "HA ")) (( segid " " and resid "89 " and name "HN ")) 3.400 2.500 0.150 peak 224 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 225} (( segid " " and resid "86 " and name "HA ")) (( segid " " and resid "89 " and name "HB1 ") OR ( segid " " and resid "89 " and name "HB3 ") OR ( segid " " and resid "89 " and name "HB2 ")) 3.500 2.500 0.150 peak 225 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 226} (( segid " " and resid "86 " and name "O ")) (( segid " " and resid "90 " and name "HN ")) 2.700 2.500 0.150 peak 226 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 227} (( segid " " and resid "86 " and name "O ")) (( segid " " and resid "90 " and name "N ")) 3.700 2.500 0.150 peak 227 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 228} (( segid " " and resid "87 " and name "O ")) (( segid " " and resid "91 " and name "HN ")) 2.700 2.500 0.150 peak 228 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 229} (( segid " " and resid "87 " and name "O ")) (( segid " " and resid "91 " and name "N ")) 3.700 2.500 0.150 peak 229 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 230} (( segid " " and resid "87 " and name "HA ")) (( segid " " and resid "90 " and name "HB2 ")) 3.500 2.500 0.150 peak 230 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 231} (( segid " " and resid "87 " and name "HA ")) (( segid " " and resid "90 " and name "HN ")) 3.400 2.500 0.150 peak 231 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 232} (( segid " " and resid "88 " and name "HA ")) (( segid " " and resid "91 " and name "HB2 ")) 3.500 2.500 0.150 peak 232 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 233} (( segid " " and resid "88 " and name "HA ")) (( segid " " and resid "91 " and name "HN ")) 3.400 2.500 0.150 peak 233 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 234} (( segid " " and resid "88 " and name "O ")) (( segid " " and resid "92 " and name "HN ")) 2.700 2.500 0.150 peak 234 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 235} (( segid " " and resid "88 " and name "O ")) (( segid " " and resid "92 " and name "N ")) 3.700 2.500 0.150 peak 235 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 236} (( segid " " and resid "89 " and name "HA ")) (( segid " " and resid "92 " and name "HB ")) 3.500 2.500 0.150 peak 236 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 237} (( segid " " and resid "89 " and name "HA ")) (( segid " " and resid "92 " and name "HN ")) 3.400 2.500 0.150 peak 237 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 238} (( segid " " and resid "89 " and name "O ")) (( segid " " and resid "93 " and name "HN ")) 2.700 2.500 0.150 peak 238 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 239} (( segid " " and resid "89 " and name "O ")) (( segid " " and resid "93 " and name "N ")) 3.700 2.500 0.150 peak 239 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 240} (( segid " " and resid "90 " and name "HA ")) (( segid " " and resid "93 " and name "HB2 ")) 3.500 2.500 0.150 peak 240 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 241} (( segid " " and resid "90 " and name "HA ")) (( segid " " and resid "93 " and name "HN ")) 3.400 2.500 0.150 peak 241 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 242} (( segid " " and resid "90 " and name "O ")) (( segid " " and resid "94 " and name "HN ")) 2.700 2.500 0.150 peak 242 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 243} (( segid " " and resid "90 " and name "O ")) (( segid " " and resid "94 " and name "N ")) 3.700 2.500 0.150 peak 243 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 244} (( segid " " and resid "91 " and name "HA ")) (( segid " " and resid "94 " and name "HB2 ")) 3.500 2.500 0.150 peak 244 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 245} (( segid " " and resid "91 " and name "HA ")) (( segid " " and resid "94 " and name "HN ")) 3.400 2.500 0.150 peak 245 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 246} (( segid " " and resid "91 " and name "O ")) (( segid " " and resid "95 " and name "HN ")) 2.700 2.500 0.150 peak 246 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 247} (( segid " " and resid "91 " and name "O ")) (( segid " " and resid "95 " and name "N ")) 3.700 2.500 0.150 peak 247 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 248} (( segid " " and resid "92 " and name "HA ")) (( segid " " and resid "95 " and name "HB2 ")) 3.500 2.500 0.150 peak 248 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 249} (( segid " " and resid "92 " and name "HA ")) (( segid " " and resid "95 " and name "HN ")) 3.400 2.500 0.150 peak 249 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 250} (( segid " " and resid "92 " and name "O ")) (( segid " " and resid "96 " and name "HN ")) 2.700 2.500 0.150 peak 250 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 251} (( segid " " and resid "92 " and name "O ")) (( segid " " and resid "96 " and name "N ")) 3.700 2.500 0.150 peak 251 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 252} (( segid " " and resid "93 " and name "HA ")) (( segid " " and resid "96 " and name "HB2 ")) 3.500 2.500 0.150 peak 252 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 253} (( segid " " and resid "93 " and name "HA ")) (( segid " " and resid "96 " and name "HN ")) 3.400 2.500 0.150 peak 253 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 254} (( segid " " and resid "93 " and name "O ")) (( segid " " and resid "97 " and name "HN ")) 2.700 2.500 0.150 peak 254 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 255} (( segid " " and resid "93 " and name "O ")) (( segid " " and resid "97 " and name "N ")) 3.700 2.500 0.150 peak 255 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 256} (( segid " " and resid "94 " and name "HA ")) (( segid " " and resid "97 " and name "HB2 ")) 3.500 2.500 0.150 peak 256 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 257} (( segid " " and resid "94 " and name "HA ")) (( segid " " and resid "97 " and name "HN ")) 3.400 2.500 0.150 peak 257 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 258} (( segid " " and resid "94 " and name "O ")) (( segid " " and resid "98 " and name "HN ")) 2.700 2.500 0.150 peak 258 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 259} (( segid " " and resid "94 " and name "O ")) (( segid " " and resid "98 " and name "N ")) 3.700 2.500 0.150 peak 259 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 260} (( segid " " and resid "95 " and name "HA ")) (( segid " " and resid "98 " and name "HB2 ")) 3.500 2.500 0.150 peak 260 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 261} (( segid " " and resid "95 " and name "HA ")) (( segid " " and resid "98 " and name "HN ")) 3.400 2.500 0.150 peak 261 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 262} (( segid " " and resid "95 " and name "O ")) (( segid " " and resid "99 " and name "HN ")) 2.700 2.500 0.150 peak 262 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 263} (( segid " " and resid "95 " and name "O ")) (( segid " " and resid "99 " and name "N ")) 3.700 2.500 0.150 peak 263 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 264} (( segid " " and resid "96 " and name "HA ")) (( segid " " and resid "99 " and name "HB2 ")) 3.500 2.500 0.150 peak 264 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 265} (( segid " " and resid "96 " and name "HA ")) (( segid " " and resid "99 " and name "HN ")) 3.400 2.500 0.150 peak 265 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 266} (( segid " " and resid "96 " and name "O ")) (( segid " " and resid "100 " and name "HN ")) 2.700 2.500 0.150 peak 266 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 267} (( segid " " and resid "96 " and name "O ")) (( segid " " and resid "100 " and name "N ")) 3.700 2.500 0.150 peak 267 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 268} (( segid " " and resid "97 " and name "HA ")) (( segid " " and resid "100 " and name "HB2 ")) 3.500 2.500 0.150 peak 268 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 269} (( segid " " and resid "97 " and name "HA ")) (( segid " " and resid "100 " and name "HN ")) 3.400 2.500 0.150 peak 269 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 270} (( segid " " and resid "97 " and name "O ")) (( segid " " and resid "101 " and name "HN ")) 2.700 2.500 0.150 peak 270 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 271} (( segid " " and resid "97 " and name "O ")) (( segid " " and resid "101 " and name "N ")) 3.700 2.500 0.150 peak 271 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 272} (( segid " " and resid "98 " and name "HA ")) (( segid " " and resid "101 " and name "HB2 ")) 3.500 2.500 0.150 peak 272 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 273} (( segid " " and resid "98 " and name "HA ")) (( segid " " and resid "101 " and name "HN ")) 3.400 2.500 0.150 peak 273 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 274} (( segid " " and resid "98 " and name "O ")) (( segid " " and resid "102 " and name "HN ")) 2.700 2.500 0.150 peak 274 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 275} (( segid " " and resid "98 " and name "O ")) (( segid " " and resid "102 " and name "N ")) 3.700 2.500 0.150 peak 275 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 276} (( segid " " and resid "99 " and name "HA ")) (( segid " " and resid "102 " and name "HN ")) 3.400 2.500 0.150 peak 276 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 277} (( segid " " and resid "99 " and name "HA ")) (( segid " " and resid "102 " and name "HB1 ") OR ( segid " " and resid "102 " and name "HB3 ") OR ( segid " " and resid "102 " and name "HB2 ")) 3.500 2.500 0.150 peak 277 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 278} (( segid " " and resid "99 " and name "O ")) (( segid " " and resid "103 " and name "HN ")) 2.700 2.500 0.150 peak 278 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 279} (( segid " " and resid "99 " and name "O ")) (( segid " " and resid "103 " and name "N ")) 3.700 2.500 0.150 peak 279 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 280} (( segid " " and resid "100 " and name "HA ")) (( segid " " and resid "103 " and name "HN ")) 3.400 2.500 0.150 peak 280 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 281} (( segid " " and resid "100 " and name "HA ")) (( segid " " and resid "103 " and name "HB1 ") OR ( segid " " and resid "103 " and name "HB3 ") OR ( segid " " and resid "103 " and name "HB2 ")) 3.500 2.500 0.150 peak 281 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 282} (( segid " " and resid "100 " and name "O ")) (( segid " " and resid "104 " and name "HN ")) 2.700 2.500 0.150 peak 282 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 283} (( segid " " and resid "100 " and name "O ")) (( segid " " and resid "104 " and name "N ")) 3.700 2.500 0.150 peak 283 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 284} (( segid " " and resid "101 " and name "HA ")) (( segid " " and resid "104 " and name "HN ")) 3.400 2.500 0.150 peak 284 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 285} (( segid " " and resid "101 " and name "HA ")) (( segid " " and resid "104 " and name "HB1 ") OR ( segid " " and resid "104 " and name "HB3 ") OR ( segid " " and resid "104 " and name "HB2 ")) 3.500 2.500 0.150 peak 285 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 286} (( segid " " and resid "101 " and name "O ")) (( segid " " and resid "105 " and name "HN ")) 2.700 2.500 0.150 peak 286 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 287} (( segid " " and resid "101 " and name "O ")) (( segid " " and resid "105 " and name "N ")) 3.700 2.500 0.150 peak 287 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 288} (( segid " " and resid "102 " and name "HA ")) (( segid " " and resid "105 " and name "HB2 ")) 3.500 2.500 0.150 peak 288 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 289} (( segid " " and resid "102 " and name "HA ")) (( segid " " and resid "105 " and name "HN ")) 3.400 2.500 0.150 peak 289 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 290} (( segid " " and resid "102 " and name "O ")) (( segid " " and resid "106 " and name "HN ")) 2.700 2.500 0.150 peak 290 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 291} (( segid " " and resid "102 " and name "O ")) (( segid " " and resid "106 " and name "N ")) 3.700 2.500 0.150 peak 291 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 292} (( segid " " and resid "103 " and name "HA ")) (( segid " " and resid "106 " and name "HN ")) 3.400 2.500 0.150 peak 292 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 293} (( segid " " and resid "103 " and name "O ")) (( segid " " and resid "107 " and name "HN ")) 2.700 2.500 0.150 peak 293 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 294} (( segid " " and resid "103 " and name "O ")) (( segid " " and resid "107 " and name "N ")) 3.700 2.500 0.150 peak 294 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 295} (( segid " " and resid "104 " and name "HA ")) (( segid " " and resid "107 " and name "HB2 ")) 3.500 2.500 0.150 peak 295 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 296} (( segid " " and resid "104 " and name "HA ")) (( segid " " and resid "107 " and name "HN ")) 3.400 2.500 0.150 peak 296 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 297} (( segid " " and resid "12 " and name "HD1 ") OR ( segid " " and resid "12 " and name "HD2 ")) (( segid " " and resid "66 " and name "CB ")) 5.000 2.500 0.150 peak 297 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 298} (( segid " " and resid "12 " and name "HD1 ") OR ( segid " " and resid "12 " and name "HD2 ")) (( segid " " and resid "70 " and name "HN ")) 5.000 2.500 0.150 peak 298 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 299} (( segid " " and resid "12 " and name "HD1 ") OR ( segid " " and resid "12 " and name "HD2 ")) (( segid " " and resid "73 " and name "CD1 ")) 4.000 2.500 0.150 peak 299 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 300} (( segid " " and resid "12 " and name "HD1 ") OR ( segid " " and resid "12 " and name "HD2 ")) (( segid " " and resid "73 " and name "CD2 ")) 5.000 2.500 0.150 peak 300 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 301} (( segid " " and resid "12 " and name "HD1 ") OR ( segid " " and resid "12 " and name "HD2 ")) (( segid " " and resid "84 " and name "HD11") OR ( segid " " and resid "84 " and name "HD13") OR ( segid " " and resid "84 " and name "HD12")) 5.000 2.500 0.150 peak 301 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 302} (( segid " " and resid "12 " and name "HE1 ") OR ( segid " " and resid "12 " and name "HE2 ")) (( segid " " and resid "66 " and name "CB ")) 4.000 2.500 0.150 peak 302 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 303} (( segid " " and resid "12 " and name "HE1 ") OR ( segid " " and resid "12 " and name "HE2 ")) (( segid " " and resid "70 " and name "HN ")) 4.000 2.500 0.150 peak 303 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 304} (( segid " " and resid "12 " and name "HE1 ") OR ( segid " " and resid "12 " and name "HE2 ")) (( segid " " and resid "73 " and name "CD1 ")) 4.000 2.500 0.150 peak 304 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 305} (( segid " " and resid "12 " and name "HE1 ") OR ( segid " " and resid "12 " and name "HE2 ")) (( segid " " and resid "84 " and name "HD11") OR ( segid " " and resid "84 " and name "HD13") OR ( segid " " and resid "84 " and name "HD12")) 4.000 2.500 0.150 peak 305 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 306} (( segid " " and resid "12 " and name "HZ ")) (( segid " " and resid "66 " and name "CB ")) 5.000 2.500 0.150 peak 306 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 307} (( segid " " and resid "12 " and name "HZ ")) (( segid " " and resid "70 " and name "HN ")) 5.000 2.500 0.150 peak 307 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 308} (( segid " " and resid "12 " and name "HZ ")) (( segid " " and resid "73 " and name "CD1 ")) 5.000 2.500 0.150 peak 308 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 309} (( segid " " and resid "12 " and name "HZ ")) (( segid " " and resid "84 " and name "HD11") OR ( segid " " and resid "84 " and name "HD13") OR ( segid " " and resid "84 " and name "HD12")) 5.000 2.500 0.150 peak 309 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 310} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "66 " and name "CB ")) 7.200 2.500 0.150 peak 310 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 311} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "91 " and name "HD1 ") OR ( segid " " and resid "91 " and name "HD2 ")) 5.000 2.500 0.150 peak 311 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 312} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "91 " and name "HE1 ") OR ( segid " " and resid "91 " and name "HE2 ")) 5.000 2.500 0.150 peak 312 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 313} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "91 " and name "HZ ")) 5.000 2.500 0.150 peak 313 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 314} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "91 " and name "HB2 ")) 5.000 2.500 0.150 peak 314 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 OR { 314} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "91 " and name "HB1 ")) ASSI { 315} (( segid " " and resid "22 " and name "HD1 ")) (( segid " " and resid "26 " and name "HB1 ")) 5.000 2.500 0.150 peak 315 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 316} (( segid " " and resid "22 " and name "HE1 ")) (( segid " " and resid "26 " and name "HB2 ")) 5.000 2.500 0.150 peak 316 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 317} (( segid " " and resid "22 " and name "HE1 ")) (( segid " " and resid "26 " and name "HB1 ")) 5.000 2.500 0.150 peak 317 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 318} (( segid " " and resid "22 " and name "HE1 ")) (( segid " " and resid "59 " and name "HD2 ")) 5.000 2.500 0.150 peak 318 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 319} (( segid " " and resid "22 " and name "HE1 ")) (( segid " " and resid "59 " and name "HE1 ")) 4.000 2.500 0.150 peak 319 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 320} (( segid " " and resid "22 " and name "HE3 ")) (( segid " " and resid "26 " and name "HB1 ")) 5.000 2.500 0.150 peak 320 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 321} (( segid " " and resid "22 " and name "HE3 ")) (( segid " " and resid "59 " and name "HD2 ")) 5.000 2.500 0.150 peak 321 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 322} (( segid " " and resid "22 " and name "HE3 ")) (( segid " " and resid "63 " and name "CD1 ")) 5.000 2.500 0.150 peak 322 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 323} (( segid " " and resid "22 " and name "HH2 ")) (( segid " " and resid "26 " and name "HB1 ")) 5.000 2.500 0.150 peak 323 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 324} (( segid " " and resid "22 " and name "HH2 ")) (( segid " " and resid "59 " and name "HD2 ")) 5.000 2.500 0.150 peak 324 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 325} (( segid " " and resid "22 " and name "HH2 ")) (( segid " " and resid "63 " and name "CD1 ")) 6.000 2.500 0.150 peak 325 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 326} (( segid " " and resid "22 " and name "HZ2 ")) (( segid " " and resid "26 " and name "HB2 ")) 5.000 2.500 0.150 peak 326 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 327} (( segid " " and resid "22 " and name "HZ2 ")) (( segid " " and resid "26 " and name "HB1 ")) 5.000 2.500 0.150 peak 327 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 328} (( segid " " and resid "22 " and name "HZ2 ")) (( segid " " and resid "59 " and name "HD2 ")) 5.000 2.500 0.150 peak 328 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 332} (( segid " " and resid "59 " and name "HD2 ")) (( segid " " and resid "63 " and name "CD1 ")) 6.000 2.500 0.150 peak 332 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 333} (( segid " " and resid "59 " and name "HD2 ")) (( segid " " and resid "95 " and name "HE3 ")) 5.000 2.500 0.150 peak 333 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 334} (( segid " " and resid "59 " and name "HD2 ")) (( segid " " and resid "95 " and name "HH2 ")) 5.000 2.500 0.150 peak 334 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 335} (( segid " " and resid "59 " and name "HD2 ")) (( segid " " and resid "95 " and name "HZ2 ")) 5.000 2.500 0.150 peak 335 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 336} (( segid " " and resid "59 " and name "HN ")) (( segid " " and resid "59 " and name "HD2 ")) 5.000 2.500 0.150 peak 336 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 337} (( segid " " and resid "59 " and name "HN ")) (( segid " " and resid "63 " and name "CD1 ")) 6.000 2.500 0.150 peak 337 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 338} (( segid " " and resid "63 " and name "CD1 ")) (( segid " " and resid "91 " and name "HD1 ") OR ( segid " " and resid "91 " and name "HD2 ")) 5.000 2.500 0.150 peak 338 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 339} (( segid " " and resid "63 " and name "CD1 ")) (( segid " " and resid "91 " and name "HZ ")) 4.000 2.500 0.150 peak 339 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 340} (( segid " " and resid "63 " and name "CD1 ")) (( segid " " and resid "95 " and name "HD1 ")) 6.000 2.500 0.150 peak 340 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 341} (( segid " " and resid "63 " and name "CD1 ")) (( segid " " and resid "95 " and name "HE1 ")) 6.000 2.500 0.150 peak 341 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 342} (( segid " " and resid "63 " and name "CD1 ")) (( segid " " and resid "95 " and name "HE3 ")) 6.000 2.500 0.150 peak 342 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 343} (( segid " " and resid "63 " and name "CD1 ")) (( segid " " and resid "95 " and name "HZ2 ")) 5.000 2.500 0.150 peak 343 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 345} (( segid " " and resid "66 " and name "CB ")) (( segid " " and resid "70 " and name "HN ")) 7.200 2.500 0.150 peak 345 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 346} (( segid " " and resid "66 " and name "CB ")) (( segid " " and resid "91 " and name "HD1 ") OR ( segid " " and resid "91 " and name "HD2 ")) 7.400 2.500 0.150 peak 346 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 347} (( segid " " and resid "66 " and name "CB ")) (( segid " " and resid "91 " and name "HE1 ") OR ( segid " " and resid "91 " and name "HE2 ")) 6.400 2.500 0.150 peak 347 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 348} (( segid " " and resid "66 " and name "CB ")) (( segid " " and resid "91 " and name "HZ ")) 6.500 2.500 0.150 peak 348 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 349} (( segid " " and resid "70 " and name "HN ")) (( segid " " and resid "73 " and name "CD1 ")) 6.000 2.500 0.150 peak 349 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 350} (( segid " " and resid "81 " and name "HN ")) (( segid " " and resid "84 " and name "HD11") OR ( segid " " and resid "84 " and name "HD13") OR ( segid " " and resid "84 " and name "HD12")) 6.000 2.500 0.150 peak 350 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 ASSI { 351} (( segid " " and resid "95 " and name "HE1 ")) (( segid " " and resid "99 " and name "HB1 ")) 5.000 2.500 0.150 peak 351 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 OR { 351} (( segid " " and resid "95 " and name "HE1 ")) (( segid " " and resid "99 " and name "HB2 ")) ASSI { 352} (( segid " " and resid "95 " and name "HZ2 ")) (( segid " " and resid "99 " and name "HB1 ")) 5.000 2.500 0.150 peak 352 volume 0.000E+00 ppm1 -9999.000 ppm2 -9999.000 OR { 352} (( segid " " and resid "95 " and name "HZ2 ")) (( segid " " and resid "99 " and name "HB2 ")) ASSI { 4} (( segid " " and resid "20 " and name "HA ")) (( segid " " and resid "20 " and name "HN ")) 2.700 2.000 2.000 peak 4 volume 0.121E+05 ppm1 4.569 ppm2 9.513 ASSI { 6} (( segid " " and resid "19 " and name "HG1 ")) (( segid " " and resid "20 " and name "HN ")) 2.300 1.200 1.200 peak 6 volume 0.318E+05 ppm1 2.553 ppm2 9.513 OR { 6} (( segid " " and resid "19 " and name "HG2 ")) (( segid " " and resid "20 " and name "HN ")) ASSI { 18} (( segid " " and resid "82 " and name "HB1 ")) (( segid " " and resid "82 " and name "HN ")) 2.300 1.200 1.200 peak 18 volume 0.309E+05 ppm1 2.108 ppm2 9.083 OR { 18} (( segid " " and resid "82 " and name "HB2 ")) (( segid " " and resid "82 " and name "HN ")) ASSI { 19} (( segid " " and resid "81 " and name "HN ")) (( segid " " and resid "82 " and name "HN ")) 2.600 1.800 1.800 peak 19 volume 0.139E+05 ppm1 7.967 ppm2 9.083 ASSI { 21} (( segid " " and resid "83 " and name "HN ")) (( segid " " and resid "82 " and name "HN ")) 2.500 1.600 1.600 peak 21 volume 0.200E+05 ppm1 8.131 ppm2 9.083 ASSI { 26} (( segid " " and resid "26 " and name "HB2 ")) (( segid " " and resid "23 " and name "HN ")) 2.900 2.400 2.400 peak 26 volume 0.819E+04 ppm1 1.405 ppm2 9.049 ASSI { 27} (( segid " " and resid "22 " and name "HN ")) (( segid " " and resid "23 " and name "HN ")) 2.500 1.600 1.600 peak 27 volume 0.172E+05 ppm1 7.920 ppm2 9.049 ASSI { 28} (( segid " " and resid "22 " and name "HB1 ")) (( segid " " and resid "23 " and name "HN ")) 2.800 2.200 2.200 peak 28 volume 0.882E+04 ppm1 3.866 ppm2 9.049 ASSI { 31} (( segid " " and resid "23 " and name "HB ")) (( segid " " and resid "23 " and name "HN ")) 2.500 1.600 1.600 peak 31 volume 0.201E+05 ppm1 2.202 ppm2 9.049 ASSI { 32} (( segid " " and resid "68 " and name "HB1 ")) (( segid " " and resid "68 " and name "HN ")) 2.400 1.400 1.400 peak 32 volume 0.223E+05 ppm1 2.858 ppm2 9.046 ASSI { 36} (( segid " " and resid "68 " and name "HB2 ")) (( segid " " and resid "68 " and name "HN ")) 2.600 1.800 1.800 peak 36 volume 0.143E+05 ppm1 2.717 ppm2 9.046 ASSI { 38} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "68 " and name "HN ")) 2.500 1.600 1.600 peak 38 volume 0.203E+05 ppm1 7.920 ppm2 9.046 ASSI { 40} (( segid " " and resid "22 " and name "HB2 ")) (( segid " " and resid "23 " and name "HN ")) 2.700 2.000 2.000 peak 40 volume 0.112E+05 ppm1 3.444 ppm2 9.046 ASSI { 42} (( segid " " and resid "68 " and name "HA ")) (( segid " " and resid "68 " and name "HN ")) 2.500 1.600 1.600 peak 42 volume 0.179E+05 ppm1 4.428 ppm2 9.046 ASSI { 49} (( segid " " and resid "87 " and name "HB2 ")) (( segid " " and resid "88 " and name "HN ")) 2.300 1.200 1.200 peak 49 volume 0.347E+05 ppm1 2.038 ppm2 8.995 OR { 49} (( segid " " and resid "87 " and name "HB1 ")) (( segid " " and resid "88 " and name "HN ")) ASSI { 50} (( segid " " and resid "88 " and name "HB1 ")) (( segid " " and resid "88 " and name "HN ")) 2.800 2.200 2.200 peak 50 volume 0.969E+04 ppm1 1.709 ppm2 8.991 OR { 50} (( segid " " and resid "88 " and name "HB2 ")) (( segid " " and resid "88 " and name "HN ")) ASSI { 54} (( segid " " and resid "89 " and name "HN ")) (( segid " " and resid "88 " and name "HN ")) 2.500 1.600 1.600 peak 54 volume 0.174E+05 ppm1 7.944 ppm2 8.991 ASSI { 60} (( segid " " and resid "96 " and name "HB2 ")) (( segid " " and resid "96 " and name "HN ")) 2.400 1.400 1.400 peak 60 volume 0.222E+05 ppm1 2.014 ppm2 8.920 OR { 60} (( segid " " and resid "96 " and name "HB1 ")) (( segid " " and resid "96 " and name "HN ")) ASSI { 67} (( segid " " and resid "94 " and name "HB2 ")) (( segid " " and resid "96 " and name "HN ")) 2.600 1.800 1.800 peak 67 volume 0.144E+05 ppm1 3.373 ppm2 8.920 OR { 67} (( segid " " and resid "94 " and name "HB1 ")) (( segid " " and resid "96 " and name "HN ")) ASSI { 68} (( segid " " and resid "95 " and name "HB1 ")) (( segid " " and resid "96 " and name "HN ")) 2.500 1.600 1.600 peak 68 volume 0.173E+05 ppm1 3.631 ppm2 8.920 OR { 68} (( segid " " and resid "95 " and name "HB2 ")) (( segid " " and resid "96 " and name "HN ")) ASSI { 74} (( segid " " and resid "26 " and name "HB2 ")) (( segid " " and resid "27 " and name "HN ")) 2.800 2.200 2.200 peak 74 volume 0.902E+04 ppm1 1.358 ppm2 8.875 ASSI { 75} (( segid " " and resid "27 " and name "HA ")) (( segid " " and resid "27 " and name "HN ")) 2.700 2.000 2.000 peak 75 volume 0.133E+05 ppm1 3.678 ppm2 8.875 ASSI { 76} (( segid " " and resid "27 " and name "HB1 ")) (( segid " " and resid "27 " and name "HN ")) 2.300 1.200 1.200 peak 76 volume 0.306E+05 ppm1 1.920 ppm2 8.875 OR { 76} (( segid " " and resid "27 " and name "HB2 ")) (( segid " " and resid "27 " and name "HN ")) ASSI { 80} (( segid " " and resid "26 " and name "HB1 ")) (( segid " " and resid "27 " and name "HN ")) 2.700 2.000 2.000 peak 80 volume 0.108E+05 ppm1 1.569 ppm2 8.875 ASSI { 83} (( segid " " and resid "56 " and name "HA ")) (( segid " " and resid "56 " and name "HN ")) 2.700 2.000 2.000 peak 83 volume 0.129E+05 ppm1 4.545 ppm2 8.831 ASSI { 84} (( segid " " and resid "56 " and name "HB1 ")) (( segid " " and resid "56 " and name "HN ")) 2.200 1.100 1.100 peak 84 volume 0.364E+05 ppm1 2.155 ppm2 8.831 OR { 84} (( segid " " and resid "56 " and name "HB2 ")) (( segid " " and resid "56 " and name "HN ")) ASSI { 86} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "56 " and name "HN ")) 2.500 1.600 1.600 peak 86 volume 0.207E+05 ppm1 7.991 ppm2 8.831 ASSI { 88} (( segid " " and resid "55 " and name "HB2 ")) (( segid " " and resid "56 " and name "HN ")) 2.800 2.200 2.200 peak 88 volume 0.106E+05 ppm1 2.483 ppm2 8.831 OR { 88} (( segid " " and resid "55 " and name "HB1 ")) (( segid " " and resid "56 " and name "HN ")) ASSI { 97} (( segid " " and resid "70 " and name "HA2 ")) (( segid " " and resid "70 " and name "HN ")) 2.700 2.000 2.000 peak 97 volume 0.125E+05 ppm1 2.858 ppm2 8.804 ASSI { 99} (( segid " " and resid "70 " and name "HA1 ")) (( segid " " and resid "70 " and name "HN ")) 2.500 1.600 1.600 peak 99 volume 0.175E+05 ppm1 3.444 ppm2 8.800 ASSI { 102} (( segid " " and resid "69 " and name "HB ")) (( segid " " and resid "70 " and name "HN ")) 2.800 2.200 2.200 peak 102 volume 0.106E+05 ppm1 4.428 ppm2 8.800 ASSI { 115} (( segid " " and resid "79 " and name "HG21") OR ( segid " " and resid "79 " and name "HG23") OR ( segid " " and resid "79 " and name "HG22")) (( segid " " and resid "80 " and name "HN ")) 2.900 2.400 2.400 peak 115 volume 0.820E+04 ppm1 0.959 ppm2 8.711 ASSI { 175} (( segid " " and resid "49 " and name "HA ")) (( segid " " and resid "49 " and name "HN ")) 2.900 2.400 2.400 peak 175 volume 0.858E+04 ppm1 4.428 ppm2 8.657 ASSI { 176} (( segid " " and resid "49 " and name "HB1 ")) (( segid " " and resid "49 " and name "HN ")) 2.600 1.800 1.800 peak 176 volume 0.146E+05 ppm1 3.186 ppm2 8.657 OR { 176} (( segid " " and resid "49 " and name "HB2 ")) (( segid " " and resid "49 " and name "HN ")) ASSI { 179} (( segid " " and resid "48 " and name "HB2 ")) (( segid " " and resid "49 " and name "HN ")) 2.800 2.200 2.200 peak 179 volume 0.890E+04 ppm1 1.967 ppm2 8.653 OR { 179} (( segid " " and resid "48 " and name "HB1 ")) (( segid " " and resid "49 " and name "HN ")) ASSI { 182} (( segid " " and resid "52 " and name "HN ")) (( segid " " and resid "53 " and name "HN ")) 2.500 1.600 1.600 peak 182 volume 0.188E+05 ppm1 7.756 ppm2 8.633 ASSI { 183} (( segid " " and resid "53 " and name "HA ")) (( segid " " and resid "53 " and name "HN ")) 2.600 1.800 1.800 peak 183 volume 0.152E+05 ppm1 3.819 ppm2 8.633 ASSI { 186} (( segid " " and resid "53 " and name "HB1 ")) (( segid " " and resid "53 " and name "HN ")) 2.400 1.400 1.400 peak 186 volume 0.254E+05 ppm1 2.202 ppm2 8.633 ASSI { 187} (( segid " " and resid "52 " and name "HB2 ")) (( segid " " and resid "53 " and name "HN ")) 2.800 2.200 2.200 peak 187 volume 0.954E+04 ppm1 1.709 ppm2 8.633 OR { 187} (( segid " " and resid "52 " and name "HG ")) (( segid " " and resid "53 " and name "HN ")) ASSI { 188} (( segid " " and resid "53 " and name "HB2 ")) (( segid " " and resid "53 " and name "HN ")) 2.300 1.200 1.200 peak 188 volume 0.310E+05 ppm1 2.038 ppm2 8.633 ASSI { 190} (( segid " " and resid "43 " and name "HG2 ")) (( segid " " and resid "43 " and name "HN ")) 2.800 2.200 2.200 peak 190 volume 0.887E+04 ppm1 2.553 ppm2 8.630 OR { 190} (( segid " " and resid "43 " and name "HG1 ")) (( segid " " and resid "43 " and name "HN ")) ASSI { 195} (( segid " " and resid "17 " and name "HB2 ")) (( segid " " and resid "17 " and name "HN ")) 2.700 2.000 2.000 peak 195 volume 0.119E+05 ppm1 2.717 ppm2 8.630 ASSI { 199} (( segid " " and resid "17 " and name "HB1 ")) (( segid " " and resid "17 " and name "HN ")) 2.400 1.400 1.400 peak 199 volume 0.236E+05 ppm1 2.975 ppm2 8.630 ASSI { 200} (( segid " " and resid "17 " and name "HA ")) (( segid " " and resid "17 " and name "HN ")) 2.400 1.400 1.400 peak 200 volume 0.230E+05 ppm1 4.452 ppm2 8.630 ASSI { 205} (( segid " " and resid "16 " and name "HB1 ")) (( segid " " and resid "17 " and name "HN ")) 2.600 1.800 1.800 peak 205 volume 0.147E+05 ppm1 1.756 ppm2 8.630 ASSI { 207} (( segid " " and resid "43 " and name "HA ")) (( segid " " and resid "43 " and name "HN ")) 2.600 1.800 1.800 peak 207 volume 0.165E+05 ppm1 4.170 ppm2 8.626 ASSI { 212} (( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "43 " and name "HN ")) 2.500 1.600 1.600 peak 212 volume 0.198E+05 ppm1 2.155 ppm2 8.626 OR { 212} (( segid " " and resid "43 " and name "HB1 ")) (( segid " " and resid "43 " and name "HN ")) ASSI { 218} (( segid " " and resid "46 " and name "HB2 ")) (( segid " " and resid "46 " and name "HN ")) 2.500 1.600 1.600 peak 218 volume 0.188E+05 ppm1 1.873 ppm2 8.602 OR { 218} (( segid " " and resid "46 " and name "HB1 ")) (( segid " " and resid "46 " and name "HN ")) ASSI { 224} (( segid " " and resid "11 " and name "HB2 ")) (( segid " " and resid "8 " and name "HN ")) 2.700 2.000 2.000 peak 224 volume 0.109E+05 ppm1 1.920 ppm2 8.595 ASSI { 225} (( segid " " and resid "8 " and name "HB1 ")) (( segid " " and resid "8 " and name "HN ")) 2.200 1.100 1.100 peak 225 volume 0.402E+05 ppm1 1.405 ppm2 8.595 OR { 225} (( segid " " and resid "8 " and name "HB2 ")) (( segid " " and resid "8 " and name "HN ")) ASSI { 229} (( segid " " and resid "8 " and name "HA ")) (( segid " " and resid "8 " and name "HN ")) 2.500 1.600 1.600 peak 229 volume 0.188E+05 ppm1 3.983 ppm2 8.595 ASSI { 234} (( segid " " and resid "33 " and name "HA ")) (( segid " " and resid "33 " and name "HN ")) 2.700 2.000 2.000 peak 234 volume 0.120E+05 ppm1 4.264 ppm2 8.582 ASSI { 236} (( segid " " and resid "33 " and name "HB2 ")) (( segid " " and resid "33 " and name "HN ")) 2.600 1.800 1.800 peak 236 volume 0.141E+05 ppm1 2.038 ppm2 8.582 OR { 236} (( segid " " and resid "33 " and name "HB1 ")) (( segid " " and resid "33 " and name "HN ")) ASSI { 243} (( segid " " and resid "94 " and name "HB2 ")) (( segid " " and resid "95 " and name "HN ")) 2.400 1.400 1.400 peak 243 volume 0.232E+05 ppm1 3.373 ppm2 8.578 OR { 243} (( segid " " and resid "94 " and name "HB1 ")) (( segid " " and resid "95 " and name "HN ")) ASSI { 249} (( segid " " and resid "92 " and name "HG11") OR ( segid " " and resid "92 " and name "HG13") OR ( segid " " and resid "92 " and name "HG12")) (( segid " " and resid "92 " and name "HN ")) 2.500 1.600 1.600 peak 249 volume 0.195E+05 ppm1 1.311 ppm2 8.575 ASSI { 250} (( segid " " and resid "88 " and name "HD11") OR ( segid " " and resid "88 " and name "HD13") OR ( segid " " and resid "88 " and name "HD12")) (( segid " " and resid "92 " and name "HN ")) 2.800 2.200 2.200 peak 250 volume 0.917E+04 ppm1 1.147 ppm2 8.575 ASSI { 251} (( segid " " and resid "95 " and name "HB2 ")) (( segid " " and resid "95 " and name "HN ")) 2.800 2.200 2.200 peak 251 volume 0.910E+04 ppm1 3.608 ppm2 8.575 OR { 251} (( segid " " and resid "95 " and name "HB1 ")) (( segid " " and resid "95 " and name "HN ")) ASSI { 252} (( segid " " and resid "91 " and name "HB2 ")) (( segid " " and resid "92 " and name "HN ")) 2.600 1.800 1.800 peak 252 volume 0.166E+05 ppm1 3.420 ppm2 8.575 ASSI { 254} (( segid " " and resid "93 " and name "HN ")) (( segid " " and resid "92 " and name "HN ")) 2.500 1.600 1.600 peak 254 volume 0.186E+05 ppm1 7.733 ppm2 8.575 ASSI { 256} (( segid " " and resid "92 " and name "HB ")) (( segid " " and resid "92 " and name "HN ")) 2.300 1.200 1.200 peak 256 volume 0.277E+05 ppm1 2.272 ppm2 8.575 ASSI { 266} (( segid " " and resid "100 " and name "HB2 ")) (( segid " " and resid "101 " and name "HN ")) 2.600 1.800 1.800 peak 266 volume 0.153E+05 ppm1 2.202 ppm2 8.537 OR { 266} (( segid " " and resid "100 " and name "HB1 ")) (( segid " " and resid "101 " and name "HN ")) ASSI { 268} (( segid " " and resid "101 " and name "HB2 ")) (( segid " " and resid "101 " and name "HN ")) 2.600 1.800 1.800 peak 268 volume 0.140E+05 ppm1 1.522 ppm2 8.534 ASSI { 270} (( segid " " and resid "101 " and name "HD11") OR ( segid " " and resid "101 " and name "HD13") OR ( segid " " and resid "101 " and name "HD12")) (( segid " " and resid "101 " and name "HN ")) 2.800 2.200 2.200 peak 270 volume 0.919E+04 ppm1 0.866 ppm2 8.534 OR { 270} (( segid " " and resid "101 " and name "HD21") OR ( segid " " and resid "101 " and name "HD23") OR ( segid " " and resid "101 " and name "HD22")) (( segid " " and resid "101 " and name "HN ")) ASSI { 272} (( segid " " and resid "101 " and name "HB1 ")) (( segid " " and resid "101 " and name "HN ")) 2.400 1.400 1.400 peak 272 volume 0.239E+05 ppm1 1.873 ppm2 8.534 ASSI { 273} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "21 " and name "HN ")) 2.400 1.400 1.400 peak 273 volume 0.224E+05 ppm1 9.491 ppm2 8.531 ASSI { 277} (( segid " " and resid "21 " and name "HB1 ")) (( segid " " and resid "21 " and name "HN ")) 2.200 1.100 1.100 peak 277 volume 0.361E+05 ppm1 4.288 ppm2 8.531 ASSI { 280} (( segid " " and resid "20 " and name "HB2 ")) (( segid " " and resid "21 " and name "HN ")) 2.700 2.000 2.000 peak 280 volume 0.108E+05 ppm1 2.202 ppm2 8.531 OR { 280} (( segid " " and resid "20 " and name "HB1 ")) (( segid " " and resid "21 " and name "HN ")) ASSI { 290} (( segid " " and resid "94 " and name "HA ")) (( segid " " and resid "94 " and name "HN ")) 2.600 1.800 1.800 peak 290 volume 0.144E+05 ppm1 3.748 ppm2 8.517 ASSI { 294} (( segid " " and resid "93 " and name "HB2 ")) (( segid " " and resid "94 " and name "HN ")) 2.900 2.400 2.400 peak 294 volume 0.859E+04 ppm1 2.670 ppm2 8.517 ASSI { 295} (( segid " " and resid "94 " and name "HB2 ")) (( segid " " and resid "94 " and name "HN ")) 2.800 2.200 2.200 peak 295 volume 0.101E+05 ppm1 3.303 ppm2 8.513 OR { 295} (( segid " " and resid "94 " and name "HB1 ")) (( segid " " and resid "94 " and name "HN ")) ASSI { 297} (( segid " " and resid "93 " and name "HB1 ")) (( segid " " and resid "94 " and name "HN ")) 2.700 2.000 2.000 peak 297 volume 0.112E+05 ppm1 2.811 ppm2 8.513 ASSI { 298} (( segid " " and resid "18 " and name "HA ")) (( segid " " and resid "18 " and name "HN ")) 2.500 1.600 1.600 peak 298 volume 0.173E+05 ppm1 4.592 ppm2 8.510 ASSI { 303} (( segid " " and resid "18 " and name "HB1 ")) (( segid " " and resid "18 " and name "HN ")) 2.300 1.200 1.200 peak 303 volume 0.312E+05 ppm1 2.998 ppm2 8.507 ASSI { 316} (( segid " " and resid "11 " and name "HB2 ")) (( segid " " and resid "15 " and name "HN ")) 2.800 2.200 2.200 peak 316 volume 0.101E+05 ppm1 1.897 ppm2 8.469 ASSI { 317} (( segid " " and resid "11 " and name "HB1 ")) (( segid " " and resid "15 " and name "HN ")) 2.600 1.800 1.800 peak 317 volume 0.137E+05 ppm1 2.014 ppm2 8.469 OR { 317} (( segid " " and resid "11 " and name "HB2 ")) (( segid " " and resid "15 " and name "HN ")) ASSI { 321} (( segid " " and resid "15 " and name "HB1 ")) (( segid " " and resid "15 " and name "HN ")) 2.500 1.600 1.600 peak 321 volume 0.188E+05 ppm1 2.834 ppm2 8.466 ASSI { 322} (( segid " " and resid "3 " and name "HA ")) (( segid " " and resid "3 " and name "HN ")) 2.500 1.600 1.600 peak 322 volume 0.184E+05 ppm1 4.428 ppm2 8.466 ASSI { 324} (( segid " " and resid "15 " and name "HB2 ")) (( segid " " and resid "15 " and name "HN ")) 2.700 2.000 2.000 peak 324 volume 0.115E+05 ppm1 2.553 ppm2 8.466 ASSI { 327} (( segid " " and resid "15 " and name "HA ")) (( segid " " and resid "15 " and name "HN ")) 2.500 1.600 1.600 peak 327 volume 0.180E+05 ppm1 4.358 ppm2 8.466 ASSI { 338} (( segid " " and resid "39 " and name "HB2 ")) (( segid " " and resid "39 " and name "HN ")) 2.400 1.400 1.400 peak 338 volume 0.216E+05 ppm1 1.709 ppm2 8.452 ASSI { 339} (( segid " " and resid "38 " and name "HB1 ")) (( segid " " and resid "39 " and name "HN ")) 2.900 2.400 2.400 peak 339 volume 0.832E+04 ppm1 2.764 ppm2 8.452 ASSI { 346} (( segid " " and resid "69 " and name "HB ")) (( segid " " and resid "69 " and name "HN ")) 2.400 1.400 1.400 peak 346 volume 0.264E+05 ppm1 4.428 ppm2 8.442 ASSI { 350} (( segid " " and resid "68 " and name "HB2 ")) (( segid " " and resid "69 " and name "HN ")) 2.900 2.400 2.400 peak 350 volume 0.805E+04 ppm1 2.717 ppm2 8.438 ASSI { 354} (( segid " " and resid "85 " and name "HG2 ")) (( segid " " and resid "85 " and name "HN ")) 2.700 2.000 2.000 peak 354 volume 0.108E+05 ppm1 2.459 ppm2 8.438 ASSI { 356} (( segid " " and resid "97 " and name "HG2 ")) (( segid " " and resid "97 " and name "HN ")) 2.900 2.400 2.400 peak 356 volume 0.813E+04 ppm1 2.436 ppm2 8.438 OR { 356} (( segid " " and resid "97 " and name "HG1 ")) (( segid " " and resid "97 " and name "HN ")) ASSI { 358} (( segid " " and resid "97 " and name "HB1 ")) (( segid " " and resid "97 " and name "HN ")) 2.300 1.200 1.200 peak 358 volume 0.286E+05 ppm1 2.295 ppm2 8.438 ASSI { 359} (( segid " " and resid "85 " and name "HB1 ")) (( segid " " and resid "85 " and name "HN ")) 2.400 1.400 1.400 peak 359 volume 0.263E+05 ppm1 2.272 ppm2 8.438 OR { 359} (( segid " " and resid "85 " and name "HB2 ")) (( segid " " and resid "85 " and name "HN ")) ASSI { 361} (( segid " " and resid "68 " and name "HB1 ")) (( segid " " and resid "69 " and name "HN ")) 2.700 2.000 2.000 peak 361 volume 0.116E+05 ppm1 2.858 ppm2 8.438 ASSI { 362} (( segid " " and resid "85 " and name "HG1 ")) (( segid " " and resid "85 " and name "HN ")) 2.700 2.000 2.000 peak 362 volume 0.108E+05 ppm1 2.623 ppm2 8.438 ASSI { 363} (( segid " " and resid "97 " and name "HB2 ")) (( segid " " and resid "97 " and name "HN ")) 2.300 1.200 1.200 peak 363 volume 0.351E+05 ppm1 2.155 ppm2 8.438 ASSI { 364} (( segid " " and resid "69 " and name "HG21") OR ( segid " " and resid "69 " and name "HG23") OR ( segid " " and resid "69 " and name "HG22")) (( segid " " and resid "69 " and name "HN ")) 2.900 2.400 2.400 peak 364 volume 0.853E+04 ppm1 1.147 ppm2 8.438 ASSI { 365} (( segid " " and resid "85 " and name "HA ")) (( segid " " and resid "85 " and name "HN ")) 2.500 1.600 1.600 peak 365 volume 0.204E+05 ppm1 4.006 ppm2 8.438 ASSI { 368} (( segid " " and resid "84 " and name "HB ")) (( segid " " and resid "85 " and name "HN ")) 2.500 1.600 1.600 peak 368 volume 0.200E+05 ppm1 2.014 ppm2 8.438 ASSI { 385} (( segid " " and resid "64 " and name "HA ")) (( segid " " and resid "64 " and name "HN ")) 2.600 1.800 1.800 peak 385 volume 0.145E+05 ppm1 3.866 ppm2 8.397 ASSI { 387} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "64 " and name "HN ")) 2.500 1.600 1.600 peak 387 volume 0.174E+05 ppm1 7.334 ppm2 8.394 ASSI { 388} (( segid " " and resid "64 " and name "HB2 ")) (( segid " " and resid "64 " and name "HN ")) 2.400 1.400 1.400 peak 388 volume 0.243E+05 ppm1 2.155 ppm2 8.394 OR { 388} (( segid " " and resid "64 " and name "HB1 ")) (( segid " " and resid "64 " and name "HN ")) ASSI { 389} (( segid " " and resid "63 " and name "HB ")) (( segid " " and resid "64 " and name "HN ")) 2.500 1.600 1.600 peak 389 volume 0.174E+05 ppm1 1.663 ppm2 8.394 ASSI { 411} (( segid " " and resid "15 " and name "HB2 ")) (( segid " " and resid "16 " and name "HN ")) 2.900 2.400 2.400 peak 411 volume 0.824E+04 ppm1 2.553 ppm2 8.360 ASSI { 415} (( segid " " and resid "16 " and name "HB1 ")) (( segid " " and resid "16 " and name "HN ")) 2.600 1.800 1.800 peak 415 volume 0.164E+05 ppm1 1.733 ppm2 8.356 ASSI { 417} (( segid " " and resid "15 " and name "HB1 ")) (( segid " " and resid "16 " and name "HN ")) 2.700 2.000 2.000 peak 417 volume 0.126E+05 ppm1 2.834 ppm2 8.356 ASSI { 418} (( segid " " and resid "16 " and name "HB2 ")) (( segid " " and resid "16 " and name "HN ")) 2.500 1.600 1.600 peak 418 volume 0.200E+05 ppm1 1.311 ppm2 8.356 ASSI { 419} (( segid " " and resid "16 " and name "HA ")) (( segid " " and resid "16 " and name "HN ")) 2.600 1.800 1.800 peak 419 volume 0.135E+05 ppm1 3.420 ppm2 8.356 ASSI { 423} (( segid " " and resid "55 " and name "HB2 ")) (( segid " " and resid "55 " and name "HN ")) 2.400 1.400 1.400 peak 423 volume 0.230E+05 ppm1 2.459 ppm2 8.353 OR { 423} (( segid " " and resid "55 " and name "HB1 ")) (( segid " " and resid "55 " and name "HN ")) ASSI { 425} (( segid " " and resid "54 " and name "HB1 ") OR ( segid " " and resid "54 " and name "HB3 ") OR ( segid " " and resid "54 " and name "HB2 ")) (( segid " " and resid "55 " and name "HN ")) 2.500 1.600 1.600 peak 425 volume 0.200E+05 ppm1 1.663 ppm2 8.353 ASSI { 427} (( segid " " and resid "55 " and name "HG2 ")) (( segid " " and resid "55 " and name "HN ")) 2.700 2.000 2.000 peak 427 volume 0.115E+05 ppm1 2.764 ppm2 8.353 OR { 427} (( segid " " and resid "55 " and name "HG1 ")) (( segid " " and resid "55 " and name "HN ")) ASSI { 436} (( segid " " and resid "49 " and name "HA ")) (( segid " " and resid "50 " and name "HN ")) 2.900 2.400 2.400 peak 436 volume 0.807E+04 ppm1 4.428 ppm2 8.343 ASSI { 437} (( segid " " and resid "37 " and name "HA ")) (( segid " " and resid "40 " and name "HN ")) 2.700 2.000 2.000 peak 437 volume 0.116E+05 ppm1 4.452 ppm2 8.339 ASSI { 444} (( segid " " and resid "40 " and name "HG21") OR ( segid " " and resid "40 " and name "HG23") OR ( segid " " and resid "40 " and name "HG22")) (( segid " " and resid "40 " and name "HN ")) 2.900 2.400 2.400 peak 444 volume 0.808E+04 ppm1 1.264 ppm2 8.339 ASSI { 453} (( segid " " and resid "40 " and name "HB ")) (( segid " " and resid "40 " and name "HN ")) 2.300 1.200 1.200 peak 453 volume 0.286E+05 ppm1 4.288 ppm2 8.339 OR { 453} (( segid " " and resid "40 " and name "HA ")) (( segid " " and resid "40 " and name "HN ")) ASSI { 454} (( segid " " and resid "50 " and name "HG2 ")) (( segid " " and resid "50 " and name "HN ")) 2.600 1.800 1.800 peak 454 volume 0.149E+05 ppm1 1.663 ppm2 8.336 ASSI { 456} (( segid " " and resid "49 " and name "HB2 ")) (( segid " " and resid "50 " and name "HN ")) 2.700 2.000 2.000 peak 456 volume 0.109E+05 ppm1 3.209 ppm2 8.336 OR { 456} (( segid " " and resid "49 " and name "HB1 ")) (( segid " " and resid "50 " and name "HN ")) ASSI { 480} (( segid " " and resid "41 " and name "HA2 ")) (( segid " " and resid "41 " and name "HN ")) 2.500 1.600 1.600 peak 480 volume 0.170E+05 ppm1 4.006 ppm2 8.312 ASSI { 515} (( segid " " and resid "37 " and name "HA ")) (( segid " " and resid "38 " and name "HN ")) 2.400 1.400 1.400 peak 515 volume 0.247E+05 ppm1 4.381 ppm2 8.298 ASSI { 517} (( segid " " and resid "37 " and name "HB2 ")) (( segid " " and resid "38 " and name "HN ")) 2.900 2.400 2.400 peak 517 volume 0.825E+04 ppm1 1.897 ppm2 8.295 OR { 517} (( segid " " and resid "37 " and name "HB1 ")) (( segid " " and resid "38 " and name "HN ")) ASSI { 520} (( segid " " and resid "38 " and name "HB1 ")) (( segid " " and resid "38 " and name "HN ")) 2.600 1.800 1.800 peak 520 volume 0.153E+05 ppm1 2.764 ppm2 8.295 OR { 520} (( segid " " and resid "38 " and name "HB2 ")) (( segid " " and resid "38 " and name "HN ")) ASSI { 525} (( segid " " and resid "24 " and name "HA ")) (( segid " " and resid "24 " and name "HN ")) 2.400 1.400 1.400 peak 525 volume 0.216E+05 ppm1 3.889 ppm2 8.292 ASSI { 526} (( segid " " and resid "24 " and name "HB2 ")) (( segid " " and resid "24 " and name "HN ")) 2.200 1.100 1.100 peak 526 volume 0.447E+05 ppm1 1.944 ppm2 8.292 OR { 526} (( segid " " and resid "24 " and name "HB1 ")) (( segid " " and resid "24 " and name "HN ")) ASSI { 536} (( segid " " and resid "99 " and name "HB2 ")) (( segid " " and resid "100 " and name "HN ")) 2.400 1.400 1.400 peak 536 volume 0.226E+05 ppm1 1.545 ppm2 8.275 OR { 536} (( segid " " and resid "99 " and name "HB1 ")) (( segid " " and resid "100 " and name "HN ")) ASSI { 539} (( segid " " and resid "100 " and name "HG1 ")) (( segid " " and resid "100 " and name "HN ")) 2.800 2.200 2.200 peak 539 volume 0.923E+04 ppm1 2.530 ppm2 8.271 ASSI { 550} (( segid " " and resid "91 " and name "HB2 ")) (( segid " " and resid "91 " and name "HN ")) 2.500 1.600 1.600 peak 550 volume 0.173E+05 ppm1 3.514 ppm2 8.264 OR { 550} (( segid " " and resid "91 " and name "HB1 ")) (( segid " " and resid "91 " and name "HN ")) ASSI { 553} (( segid " " and resid "91 " and name "HB2 ")) (( segid " " and resid "91 " and name "HN ")) 2.500 1.600 1.600 peak 553 volume 0.186E+05 ppm1 3.420 ppm2 8.264 ASSI { 555} (( segid " " and resid "91 " and name "HA ")) (( segid " " and resid "91 " and name "HN ")) 2.900 2.400 2.400 peak 555 volume 0.856E+04 ppm1 4.592 ppm2 8.264 ASSI { 561} (( segid " " and resid "33 " and name "HB2 ")) (( segid " " and resid "34 " and name "HN ")) 2.700 2.000 2.000 peak 561 volume 0.119E+05 ppm1 2.038 ppm2 8.254 OR { 561} (( segid " " and resid "33 " and name "HB1 ")) (( segid " " and resid "34 " and name "HN ")) ASSI { 567} (( segid " " and resid "41 " and name "HA1 ")) (( segid " " and resid "42 " and name "HN ")) 2.600 1.800 1.800 peak 567 volume 0.138E+05 ppm1 4.241 ppm2 8.251 ASSI { 569} (( segid " " and resid "42 " and name "HB ")) (( segid " " and resid "42 " and name "HN ")) 2.500 1.600 1.600 peak 569 volume 0.195E+05 ppm1 2.202 ppm2 8.251 ASSI { 570} (( segid " " and resid "33 " and name "HA ")) (( segid " " and resid "34 " and name "HN ")) 2.400 1.400 1.400 peak 570 volume 0.273E+05 ppm1 4.264 ppm2 8.251 ASSI { 572} (( segid " " and resid "34 " and name "HA ")) (( segid " " and resid "34 " and name "HN ")) 2.600 1.800 1.800 peak 572 volume 0.146E+05 ppm1 4.569 ppm2 8.247 ASSI { 573} (( segid " " and resid "34 " and name "HB2 ")) (( segid " " and resid "34 " and name "HN ")) 2.400 1.400 1.400 peak 573 volume 0.218E+05 ppm1 2.647 ppm2 8.247 OR { 573} (( segid " " and resid "34 " and name "HB1 ")) (( segid " " and resid "34 " and name "HN ")) ASSI { 576} (( segid " " and resid "42 " and name "HG21") OR ( segid " " and resid "42 " and name "HG23") OR ( segid " " and resid "42 " and name "HG22")) (( segid " " and resid "42 " and name "HN ")) 2.600 1.800 1.800 peak 576 volume 0.158E+05 ppm1 1.030 ppm2 8.247 OR { 576} (( segid " " and resid "42 " and name "HG11") OR ( segid " " and resid "42 " and name "HG13") OR ( segid " " and resid "42 " and name "HG12")) (( segid " " and resid "42 " and name "HN ")) ASSI { 585} (( segid " " and resid "36 " and name "HA2 ")) (( segid " " and resid "36 " and name "HN ")) 2.300 1.200 1.200 peak 585 volume 0.315E+05 ppm1 3.913 ppm2 8.234 OR { 585} (( segid " " and resid "36 " and name "HA1 ")) (( segid " " and resid "36 " and name "HN ")) ASSI { 587} (( segid " " and resid "35 " and name "HB2 ")) (( segid " " and resid "36 " and name "HN ")) 2.900 2.400 2.400 peak 587 volume 0.804E+04 ppm1 3.069 ppm2 8.234 OR { 587} (( segid " " and resid "35 " and name "HB1 ")) (( segid " " and resid "36 " and name "HN ")) ASSI { 588} (( segid " " and resid "35 " and name "HA ")) (( segid " " and resid "36 " and name "HN ")) 2.600 1.800 1.800 peak 588 volume 0.167E+05 ppm1 4.381 ppm2 8.234 ASSI { 594} (( segid " " and resid "44 " and name "HB1 ")) (( segid " " and resid "45 " and name "HN ")) 2.800 2.200 2.200 peak 594 volume 0.986E+04 ppm1 2.881 ppm2 8.223 OR { 594} (( segid " " and resid "44 " and name "HB2 ")) (( segid " " and resid "45 " and name "HN ")) ASSI { 595} (( segid " " and resid "45 " and name "HB2 ")) (( segid " " and resid "45 " and name "HN ")) 2.500 1.600 1.600 peak 595 volume 0.191E+05 ppm1 1.686 ppm2 8.223 OR { 595} (( segid " " and resid "45 " and name "HB1 ")) (( segid " " and resid "45 " and name "HN ")) ASSI { 601} (( segid " " and resid "78 " and name "HA ")) (( segid " " and resid "78 " and name "HN ")) 2.700 2.000 2.000 peak 601 volume 0.117E+05 ppm1 4.170 ppm2 8.217 OR { 601} (( segid " " and resid "78 " and name "HB ")) (( segid " " and resid "78 " and name "HN ")) ASSI { 605} (( segid " " and resid "78 " and name "HA ")) (( segid " " and resid "78 " and name "HN ")) 2.700 2.000 2.000 peak 605 volume 0.115E+05 ppm1 4.241 ppm2 8.210 ASSI { 674} (( segid " " and resid "19 " and name "HG1 ")) (( segid " " and resid "19 " and name "HN ")) 2.600 1.800 1.800 peak 674 volume 0.163E+05 ppm1 2.530 ppm2 8.169 OR { 674} (( segid " " and resid "19 " and name "HG2 ")) (( segid " " and resid "19 " and name "HN ")) ASSI { 677} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "19 " and name "HN ")) 2.500 1.600 1.600 peak 677 volume 0.170E+05 ppm1 9.491 ppm2 8.169 ASSI { 682} (( segid " " and resid "18 " and name "HB1 ")) (( segid " " and resid "19 " and name "HN ")) 2.900 2.400 2.400 peak 682 volume 0.800E+04 ppm1 3.022 ppm2 8.165 ASSI { 684} (( segid " " and resid "64 " and name "HB1 ")) (( segid " " and resid "65 " and name "HN ")) 2.700 2.000 2.000 peak 684 volume 0.118E+05 ppm1 2.084 ppm2 8.162 OR { 684} (( segid " " and resid "64 " and name "HB2 ")) (( segid " " and resid "65 " and name "HN ")) ASSI { 685} (( segid " " and resid "65 " and name "HA2 ")) (( segid " " and resid "65 " and name "HN ")) 2.200 1.100 1.100 peak 685 volume 0.435E+05 ppm1 3.889 ppm2 8.162 ASSI { 727} (( segid " " and resid "71 " and name "HA ")) (( segid " " and resid "71 " and name "HN ")) 2.600 1.800 1.800 peak 727 volume 0.149E+05 ppm1 3.959 ppm2 8.131 ASSI { 734} (( segid " " and resid "71 " and name "HG2 ")) (( segid " " and resid "71 " and name "HN ")) 2.900 2.400 2.400 peak 734 volume 0.845E+04 ppm1 1.522 ppm2 8.128 OR { 734} (( segid " " and resid "71 " and name "HG1 ")) (( segid " " and resid "71 " and name "HN ")) ASSI { 749} (( segid " " and resid "30 " and name "HB ")) (( segid " " and resid "30 " and name "HN ")) 2.400 1.400 1.400 peak 749 volume 0.215E+05 ppm1 2.014 ppm2 8.118 ASSI { 750} (( segid " " and resid "30 " and name "HG21") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG22")) (( segid " " and resid "30 " and name "HN ")) 2.300 1.200 1.200 peak 750 volume 0.320E+05 ppm1 0.913 ppm2 8.118 ASSI { 753} (( segid " " and resid "29 " and name "HB2 ")) (( segid " " and resid "30 " and name "HN ")) 2.500 1.600 1.600 peak 753 volume 0.181E+05 ppm1 1.780 ppm2 8.114 OR { 753} (( segid " " and resid "29 " and name "HB1 ")) (( segid " " and resid "30 " and name "HN ")) ASSI { 766} (( segid " " and resid "84 " and name "HB ")) (( segid " " and resid "84 " and name "HN ")) 2.500 1.600 1.600 peak 766 volume 0.185E+05 ppm1 1.991 ppm2 8.104 ASSI { 768} (( segid " " and resid "84 " and name "HA ")) (( segid " " and resid "84 " and name "HN ")) 2.800 2.200 2.200 peak 768 volume 0.942E+04 ppm1 3.842 ppm2 8.104 ASSI { 769} (( segid " " and resid "83 " and name "HB1 ")) (( segid " " and resid "84 " and name "HN ")) 2.800 2.200 2.200 peak 769 volume 0.866E+04 ppm1 2.225 ppm2 8.104 OR { 769} (( segid " " and resid "83 " and name "HB2 ")) (( segid " " and resid "84 " and name "HN ")) ASSI { 791} (( segid " " and resid "13 " and name "HD1 ") OR ( segid " " and resid "13 " and name "HD2 ")) (( segid " " and resid "13 " and name "HN ")) 2.800 2.200 2.200 peak 791 volume 0.948E+04 ppm1 7.264 ppm2 8.094 ASSI { 803} (( segid " " and resid "79 " and name "HB ")) (( segid " " and resid "79 " and name "HN ")) 2.400 1.400 1.400 peak 803 volume 0.221E+05 ppm1 1.967 ppm2 8.087 ASSI { 805} (( segid " " and resid "79 " and name "HG11")) (( segid " " and resid "79 " and name "HN ")) 2.900 2.400 2.400 peak 805 volume 0.850E+04 ppm1 1.592 ppm2 8.083 ASSI { 807} (( segid " " and resid "79 " and name "HG21") OR ( segid " " and resid "79 " and name "HG23") OR ( segid " " and resid "79 " and name "HG22")) (( segid " " and resid "79 " and name "HN ")) 2.800 2.200 2.200 peak 807 volume 0.974E+04 ppm1 0.959 ppm2 8.083 OR { 807} (( segid " " and resid "79 " and name "HD11") OR ( segid " " and resid "79 " and name "HD13") OR ( segid " " and resid "79 " and name "HD12")) (( segid " " and resid "79 " and name "HN ")) ASSI { 809} (( segid " " and resid "79 " and name "HG12")) (( segid " " and resid "79 " and name "HN ")) 2.700 2.000 2.000 peak 809 volume 0.126E+05 ppm1 1.264 ppm2 8.083 ASSI { 825} (( segid " " and resid "75 " and name "HA ")) (( segid " " and resid "75 " and name "HN ")) 2.800 2.200 2.200 peak 825 volume 0.103E+05 ppm1 4.545 ppm2 8.077 ASSI { 827} (( segid " " and resid "75 " and name "HB1 ")) (( segid " " and resid "75 " and name "HN ")) 2.400 1.400 1.400 peak 827 volume 0.219E+05 ppm1 2.764 ppm2 8.077 OR { 827} (( segid " " and resid "75 " and name "HB2 ")) (( segid " " and resid "75 " and name "HN ")) ASSI { 829} (( segid " " and resid "74 " and name "HB2 ")) (( segid " " and resid "75 " and name "HN ")) 2.800 2.200 2.200 peak 829 volume 0.923E+04 ppm1 4.030 ppm2 8.077 OR { 829} (( segid " " and resid "74 " and name "HB1 ")) (( segid " " and resid "75 " and name "HN ")) ASSI { 834} (( segid " " and resid "69 " and name "HG21") OR ( segid " " and resid "69 " and name "HG23") OR ( segid " " and resid "69 " and name "HG22")) (( segid " " and resid "73 " and name "HN ")) 2.700 2.000 2.000 peak 834 volume 0.122E+05 ppm1 1.147 ppm2 8.073 ASSI { 842} (( segid " " and resid "72 " and name "HB2 ")) (( segid " " and resid "73 " and name "HN ")) 2.600 1.800 1.800 peak 842 volume 0.139E+05 ppm1 1.920 ppm2 8.070 OR { 842} (( segid " " and resid "72 " and name "HB1 ")) (( segid " " and resid "73 " and name "HN ")) ASSI { 856} (( segid " " and resid "37 " and name "HB2 ")) (( segid " " and resid "37 " and name "HN ")) 2.800 2.200 2.200 peak 856 volume 0.104E+05 ppm1 1.803 ppm2 8.043 ASSI { 858} (( segid " " and resid "37 " and name "HA ")) (( segid " " and resid "37 " and name "HN ")) 2.700 2.000 2.000 peak 858 volume 0.107E+05 ppm1 4.405 ppm2 8.043 ASSI { 859} (( segid " " and resid "36 " and name "HA2 ")) (( segid " " and resid "37 " and name "HN ")) 2.600 1.800 1.800 peak 859 volume 0.149E+05 ppm1 3.913 ppm2 8.043 OR { 859} (( segid " " and resid "36 " and name "HA1 ")) (( segid " " and resid "37 " and name "HN ")) ASSI { 865} (( segid " " and resid "35 " and name "HB1 ")) (( segid " " and resid "35 " and name "HN ")) 2.300 1.200 1.200 peak 865 volume 0.289E+05 ppm1 3.092 ppm2 8.029 OR { 865} (( segid " " and resid "35 " and name "HB2 ")) (( segid " " and resid "35 " and name "HN ")) ASSI { 866} (( segid " " and resid "34 " and name "HA ")) (( segid " " and resid "35 " and name "HN ")) 2.400 1.400 1.400 peak 866 volume 0.214E+05 ppm1 4.569 ppm2 8.029 ASSI { 884} (( segid " " and resid "106 " and name "HA1 ")) (( segid " " and resid "106 " and name "HN ")) 2.300 1.200 1.200 peak 884 volume 0.275E+05 ppm1 3.795 ppm2 8.022 ASSI { 886} (( segid " " and resid "105 " and name "HB2 ")) (( segid " " and resid "106 " and name "HN ")) 2.800 2.200 2.200 peak 886 volume 0.993E+04 ppm1 1.873 ppm2 8.022 OR { 886} (( segid " " and resid "105 " and name "HB1 ")) (( segid " " and resid "106 " and name "HN ")) ASSI { 889} (( segid " " and resid "106 " and name "HA2 ")) (( segid " " and resid "106 " and name "HN ")) 2.500 1.600 1.600 peak 889 volume 0.185E+05 ppm1 3.373 ppm2 8.022 ASSI { 892} (( segid " " and resid "57 " and name "HB1 ") OR ( segid " " and resid "57 " and name "HB3 ") OR ( segid " " and resid "57 " and name "HB2 ")) (( segid " " and resid "57 " and name "HN ")) 2.100 0.900 0.900 peak 892 volume 0.514E+05 ppm1 1.639 ppm2 8.019 ASSI { 895} (( segid " " and resid "56 " and name "HB2 ")) (( segid " " and resid "57 " and name "HN ")) 2.600 1.800 1.800 peak 895 volume 0.156E+05 ppm1 2.155 ppm2 8.019 OR { 895} (( segid " " and resid "56 " and name "HB1 ")) (( segid " " and resid "57 " and name "HN ")) ASSI { 896} (( segid " " and resid "105 " and name "HB2 ")) (( segid " " and resid "105 " and name "HN ")) 2.300 1.200 1.200 peak 896 volume 0.282E+05 ppm1 1.873 ppm2 8.019 OR { 896} (( segid " " and resid "105 " and name "HB1 ")) (( segid " " and resid "105 " and name "HN ")) ASSI { 942} (( segid " " and resid "58 " and name "HB1 ") OR ( segid " " and resid "58 " and name "HB3 ") OR ( segid " " and resid "58 " and name "HB2 ")) (( segid " " and resid "59 " and name "HN ")) 2.600 1.800 1.800 peak 942 volume 0.140E+05 ppm1 1.639 ppm2 7.995 ASSI { 943} (( segid " " and resid "59 " and name "HB1 ")) (( segid " " and resid "59 " and name "HN ")) 2.400 1.400 1.400 peak 943 volume 0.223E+05 ppm1 3.045 ppm2 7.995 ASSI { 951} (( segid " " and resid "99 " and name "HG1 ")) (( segid " " and resid "99 " and name "HN ")) 2.500 1.600 1.600 peak 951 volume 0.194E+05 ppm1 0.655 ppm2 7.988 OR { 951} (( segid " " and resid "99 " and name "HG2 ")) (( segid " " and resid "99 " and name "HN ")) ASSI { 957} (( segid " " and resid "99 " and name "HA ")) (( segid " " and resid "99 " and name "HN ")) 2.600 1.800 1.800 peak 957 volume 0.162E+05 ppm1 3.584 ppm2 7.984 ASSI { 960} (( segid " " and resid "81 " and name "HB2 ")) (( segid " " and resid "81 " and name "HN ")) 2.400 1.400 1.400 peak 960 volume 0.250E+05 ppm1 2.061 ppm2 7.984 OR { 960} (( segid " " and resid "81 " and name "HB1 ")) (( segid " " and resid "81 " and name "HN ")) ASSI { 966} (( segid " " and resid "89 " and name "HB1 ") OR ( segid " " and resid "89 " and name "HB3 ") OR ( segid " " and resid "89 " and name "HB2 ")) (( segid " " and resid "89 " and name "HN ")) 2.200 1.100 1.100 peak 966 volume 0.409E+05 ppm1 1.592 ppm2 7.978 ASSI { 986} (( segid " " and resid "54 " and name "HB1 ") OR ( segid " " and resid "54 " and name "HB3 ") OR ( segid " " and resid "54 " and name "HB2 ")) (( segid " " and resid "54 " and name "HN ")) 2.200 1.100 1.100 peak 986 volume 0.405E+05 ppm1 1.663 ppm2 7.964 ASSI { 987} (( segid " " and resid "54 " and name "HA ")) (( segid " " and resid "54 " and name "HN ")) 2.600 1.800 1.800 peak 987 volume 0.165E+05 ppm1 4.358 ppm2 7.964 ASSI { 991} (( segid " " and resid "53 " and name "HB1 ")) (( segid " " and resid "54 " and name "HN ")) 2.700 2.000 2.000 peak 991 volume 0.115E+05 ppm1 2.178 ppm2 7.964 ASSI { 992} (( segid " " and resid "53 " and name "HB2 ")) (( segid " " and resid "54 " and name "HN ")) 2.600 1.800 1.800 peak 992 volume 0.140E+05 ppm1 2.061 ppm2 7.964 ASSI { 995} (( segid " " and resid "9 " and name "HD21") OR ( segid " " and resid "9 " and name "HD23") OR ( segid " " and resid "9 " and name "HD22")) (( segid " " and resid "9 " and name "HN ")) 2.800 2.200 2.200 peak 995 volume 0.989E+04 ppm1 0.959 ppm2 7.961 ASSI { 996} (( segid " " and resid "66 " and name "HB ")) (( segid " " and resid "67 " and name "HN ")) 2.700 2.000 2.000 peak 996 volume 0.119E+05 ppm1 2.342 ppm2 7.961 ASSI { 1009} (( segid " " and resid "22 " and name "HB1 ")) (( segid " " and resid "22 " and name "HN ")) 2.500 1.600 1.600 peak 1009 volume 0.186E+05 ppm1 3.842 ppm2 7.957 ASSI { 1019} (( segid " " and resid "67 " and name "HA ")) (( segid " " and resid "67 " and name "HN ")) 2.500 1.600 1.600 peak 1019 volume 0.180E+05 ppm1 4.100 ppm2 7.957 ASSI { 1021} (( segid " " and resid "22 " and name "HB2 ")) (( segid " " and resid "22 " and name "HN ")) 2.400 1.400 1.400 peak 1021 volume 0.221E+05 ppm1 3.397 ppm2 7.957 ASSI { 1035} (( segid " " and resid "9 " and name "HA ")) (( segid " " and resid "9 " and name "HN ")) 2.500 1.600 1.600 peak 1035 volume 0.187E+05 ppm1 4.288 ppm2 7.950 ASSI { 1050} (( segid " " and resid "25 " and name "HB1 ")) (( segid " " and resid "25 " and name "HN ")) 2.200 1.100 1.100 peak 1050 volume 0.388E+05 ppm1 2.084 ppm2 7.944 ASSI { 1110} (( segid " " and resid "74 " and name "HA ")) (( segid " " and resid "74 " and name "HN ")) 2.500 1.600 1.600 peak 1110 volume 0.169E+05 ppm1 4.170 ppm2 7.913 ASSI { 1111} (( segid " " and resid "74 " and name "HB2 ")) (( segid " " and resid "74 " and name "HN ")) 2.300 1.200 1.200 peak 1111 volume 0.282E+05 ppm1 4.006 ppm2 7.913 OR { 1111} (( segid " " and resid "74 " and name "HB1 ")) (( segid " " and resid "74 " and name "HN ")) ASSI { 1130} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "26 " and name "HN ")) 2.700 2.000 2.000 peak 1130 volume 0.128E+05 ppm1 3.866 ppm2 7.886 ASSI { 1132} (( segid " " and resid "26 " and name "HB2 ")) (( segid " " and resid "26 " and name "HN ")) 2.800 2.200 2.200 peak 1132 volume 0.104E+05 ppm1 1.311 ppm2 7.882 ASSI { 1133} (( segid " " and resid "27 " and name "HN ")) (( segid " " and resid "26 " and name "HN ")) 2.500 1.600 1.600 peak 1133 volume 0.188E+05 ppm1 8.858 ppm2 7.882 ASSI { 1136} (( segid " " and resid "26 " and name "HB1 ")) (( segid " " and resid "26 " and name "HN ")) 2.600 1.800 1.800 peak 1136 volume 0.160E+05 ppm1 1.569 ppm2 7.882 ASSI { 1139} (( segid " " and resid "25 " and name "HB2 ")) (( segid " " and resid "26 " and name "HN ")) 2.700 2.000 2.000 peak 1139 volume 0.129E+05 ppm1 2.061 ppm2 7.882 OR { 1139} (( segid " " and resid "25 " and name "HB1 ")) (( segid " " and resid "26 " and name "HN ")) ASSI { 1144} (( segid " " and resid "28 " and name "HD21") OR ( segid " " and resid "28 " and name "HD23") OR ( segid " " and resid "28 " and name "HD22")) (( segid " " and resid "28 " and name "HN ")) 2.700 2.000 2.000 peak 1144 volume 0.122E+05 ppm1 0.889 ppm2 7.862 ASSI { 1147} (( segid " " and resid "27 " and name "HN ")) (( segid " " and resid "28 " and name "HN ")) 2.600 1.800 1.800 peak 1147 volume 0.161E+05 ppm1 8.858 ppm2 7.862 ASSI { 1148} (( segid " " and resid "28 " and name "HB1 ")) (( segid " " and resid "28 " and name "HN ")) 2.100 0.900 0.900 peak 1148 volume 0.517E+05 ppm1 1.873 ppm2 7.858 ASSI { 1171} (( segid " " and resid "47 " and name "HB2 ")) (( segid " " and resid "47 " and name "HN ")) 2.200 1.100 1.100 peak 1171 volume 0.391E+05 ppm1 1.991 ppm2 7.841 OR { 1171} (( segid " " and resid "47 " and name "HB1 ")) (( segid " " and resid "47 " and name "HN ")) ASSI { 1174} (( segid " " and resid "47 " and name "HG1 ")) (( segid " " and resid "47 " and name "HN ")) 2.800 2.200 2.200 peak 1174 volume 0.934E+04 ppm1 1.709 ppm2 7.841 OR { 1174} (( segid " " and resid "47 " and name "HD1 ")) (( segid " " and resid "47 " and name "HN ")) ASSI { 1218} (( segid " " and resid "51 " and name "HB2 ")) (( segid " " and resid "51 " and name "HN ")) 2.200 1.100 1.100 peak 1218 volume 0.358E+05 ppm1 2.038 ppm2 7.814 OR { 1218} (( segid " " and resid "51 " and name "HB1 ")) (( segid " " and resid "51 " and name "HN ")) ASSI { 1239} (( segid " " and resid "31 " and name "HA ")) (( segid " " and resid "31 " and name "HN ")) 2.500 1.600 1.600 peak 1239 volume 0.176E+05 ppm1 4.428 ppm2 7.793 ASSI { 1241} (( segid " " and resid "31 " and name "HB2 ")) (( segid " " and resid "31 " and name "HN ")) 2.400 1.400 1.400 peak 1241 volume 0.250E+05 ppm1 4.006 ppm2 7.790 OR { 1241} (( segid " " and resid "31 " and name "HB1 ")) (( segid " " and resid "31 " and name "HN ")) ASSI { 1250} (( segid " " and resid "30 " and name "HB ")) (( segid " " and resid "31 " and name "HN ")) 2.800 2.200 2.200 peak 1250 volume 0.872E+04 ppm1 2.014 ppm2 7.790 ASSI { 1284} (( segid " " and resid "93 " and name "HB1 ")) (( segid " " and resid "93 " and name "HN ")) 2.400 1.400 1.400 peak 1284 volume 0.251E+05 ppm1 2.811 ppm2 7.773 ASSI { 1285} (( segid " " and resid "93 " and name "HA ")) (( segid " " and resid "93 " and name "HN ")) 2.500 1.600 1.600 peak 1285 volume 0.195E+05 ppm1 4.545 ppm2 7.773 ASSI { 1286} (( segid " " and resid "93 " and name "HB2 ")) (( segid " " and resid "93 " and name "HN ")) 2.600 1.800 1.800 peak 1286 volume 0.161E+05 ppm1 2.670 ppm2 7.773 ASSI { 1310} (( segid " " and resid "76 " and name "HA ")) (( segid " " and resid "76 " and name "HN ")) 2.500 1.600 1.600 peak 1310 volume 0.175E+05 ppm1 4.663 ppm2 7.756 ASSI { 1323} (( segid " " and resid "107 " and name "HG2 ")) (( segid " " and resid "107 " and name "HN ")) 2.700 2.000 2.000 peak 1323 volume 0.113E+05 ppm1 2.506 ppm2 7.732 OR { 1323} (( segid " " and resid "107 " and name "HG1 ")) (( segid " " and resid "107 " and name "HN ")) ASSI { 1327} (( segid " " and resid "107 " and name "HB1 ")) (( segid " " and resid "107 " and name "HN ")) 2.300 1.200 1.200 peak 1327 volume 0.351E+05 ppm1 2.155 ppm2 7.732 OR { 1327} (( segid " " and resid "107 " and name "HB2 ")) (( segid " " and resid "107 " and name "HN ")) ASSI { 1331} (( segid " " and resid "106 " and name "HA1 ")) (( segid " " and resid "107 " and name "HN ")) 2.800 2.200 2.200 peak 1331 volume 0.860E+04 ppm1 3.819 ppm2 7.732 ASSI { 1341} (( segid " " and resid "97 " and name "HG2 ")) (( segid " " and resid "98 " and name "HN ")) 2.400 1.400 1.400 peak 1341 volume 0.248E+05 ppm1 2.483 ppm2 7.729 OR { 1341} (( segid " " and resid "97 " and name "HG1 ")) (( segid " " and resid "98 " and name "HN ")) ASSI { 1343} (( segid " " and resid "97 " and name "HB1 ")) (( segid " " and resid "98 " and name "HN ")) 2.500 1.600 1.600 peak 1343 volume 0.198E+05 ppm1 2.366 ppm2 7.729 ASSI { 1345} (( segid " " and resid "94 " and name "HA ")) (( segid " " and resid "98 " and name "HN ")) 2.700 2.000 2.000 peak 1345 volume 0.109E+05 ppm1 3.748 ppm2 7.729 ASSI { 1369} (( segid " " and resid "108 " and name "HA ")) (( segid " " and resid "108 " and name "HN ")) 2.600 1.800 1.800 peak 1369 volume 0.158E+05 ppm1 4.358 ppm2 7.681 ASSI { 1371} (( segid " " and resid "108 " and name "HB1 ")) (( segid " " and resid "108 " and name "HN ")) 2.500 1.600 1.600 peak 1371 volume 0.189E+05 ppm1 1.897 ppm2 7.681 OR { 1371} (( segid " " and resid "108 " and name "HB2 ")) (( segid " " and resid "108 " and name "HN ")) ASSI { 1372} (( segid " " and resid "108 " and name "HG1 ")) (( segid " " and resid "108 " and name "HN ")) 2.600 1.800 1.800 peak 1372 volume 0.136E+05 ppm1 1.733 ppm2 7.681 OR { 1372} (( segid " " and resid "108 " and name "HG2 ")) (( segid " " and resid "108 " and name "HN ")) ASSI { 1375} (( segid " " and resid "107 " and name "HB2 ")) (( segid " " and resid "108 " and name "HN ")) 2.900 2.400 2.400 peak 1375 volume 0.838E+04 ppm1 2.155 ppm2 7.681 OR { 1375} (( segid " " and resid "107 " and name "HB1 ")) (( segid " " and resid "108 " and name "HN ")) ASSI { 1396} (( segid " " and resid "90 " and name "HA ")) (( segid " " and resid "90 " and name "HN ")) 2.400 1.400 1.400 peak 1396 volume 0.236E+05 ppm1 4.053 ppm2 7.619 ASSI { 1398} (( segid " " and resid "89 " and name "HB1 ") OR ( segid " " and resid "89 " and name "HB3 ") OR ( segid " " and resid "89 " and name "HB2 ")) (( segid " " and resid "90 " and name "HN ")) 2.400 1.400 1.400 peak 1398 volume 0.233E+05 ppm1 1.592 ppm2 7.619 ASSI { 1401} (( segid " " and resid "90 " and name "HG2 ")) (( segid " " and resid "90 " and name "HN ")) 2.600 1.800 1.800 peak 1401 volume 0.163E+05 ppm1 2.483 ppm2 7.619 OR { 1401} (( segid " " and resid "90 " and name "HG1 ")) (( segid " " and resid "90 " and name "HN ")) ASSI { 1408} (( segid " " and resid "90 " and name "HB2 ")) (( segid " " and resid "90 " and name "HN ")) 2.500 1.600 1.600 peak 1408 volume 0.186E+05 ppm1 2.061 ppm2 7.619 OR { 1408} (( segid " " and resid "90 " and name "HB1 ")) (( segid " " and resid "90 " and name "HN ")) ASSI { 1420} (( segid " " and resid "66 " and name "HG11") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG12")) (( segid " " and resid "66 " and name "HN ")) 2.400 1.400 1.400 peak 1420 volume 0.254E+05 ppm1 0.936 ppm2 7.599 ASSI { 1424} (( segid " " and resid "66 " and name "HB ")) (( segid " " and resid "66 " and name "HN ")) 2.300 1.200 1.200 peak 1424 volume 0.291E+05 ppm1 2.342 ppm2 7.599 ASSI { 1432} (( segid " " and resid "72 " and name "HA ")) (( segid " " and resid "72 " and name "HN ")) 2.600 1.800 1.800 peak 1432 volume 0.167E+05 ppm1 4.077 ppm2 7.585 ASSI { 1433} (( segid " " and resid "72 " and name "HB2 ")) (( segid " " and resid "72 " and name "HN ")) 2.200 1.100 1.100 peak 1433 volume 0.445E+05 ppm1 1.920 ppm2 7.585 OR { 1433} (( segid " " and resid "72 " and name "HB1 ")) (( segid " " and resid "72 " and name "HN ")) ASSI { 1435} (( segid " " and resid "71 " and name "HG1 ")) (( segid " " and resid "72 " and name "HN ")) 2.700 2.000 2.000 peak 1435 volume 0.132E+05 ppm1 1.522 ppm2 7.585 OR { 1435} (( segid " " and resid "71 " and name "HG2 ")) (( segid " " and resid "72 " and name "HN ")) ASSI { 1477} (( segid " " and resid "110 " and name "HG1 ")) (( segid " " and resid "110 " and name "HN ")) 2.800 2.200 2.200 peak 1477 volume 0.105E+05 ppm1 2.272 ppm2 7.534 ASSI { 1480} (( segid " " and resid "110 " and name "HB2 ")) (( segid " " and resid "110 " and name "HN ")) 2.400 1.400 1.400 peak 1480 volume 0.265E+05 ppm1 1.967 ppm2 7.534 ASSI { 1481} (( segid " " and resid "110 " and name "HA ")) (( segid " " and resid "110 " and name "HN ")) 2.400 1.400 1.400 peak 1481 volume 0.235E+05 ppm1 4.077 ppm2 7.534 ASSI { 1482} (( segid " " and resid "110 " and name "HB1 ")) (( segid " " and resid "110 " and name "HN ")) 2.700 2.000 2.000 peak 1482 volume 0.116E+05 ppm1 2.108 ppm2 7.534 ASSI { 1483} (( segid " " and resid "109 " and name "HA ")) (( segid " " and resid "110 " and name "HN ")) 2.500 1.600 1.600 peak 1483 volume 0.184E+05 ppm1 4.381 ppm2 7.534 ASSI { 1496} (( segid " " and resid "29 " and name "HA ")) (( segid " " and resid "29 " and name "HN ")) 2.500 1.600 1.600 peak 1496 volume 0.188E+05 ppm1 4.147 ppm2 7.531 ASSI { 1510} (( segid " " and resid "33 " and name "HN ")) (( segid " " and resid "32 " and name "HN ")) 2.800 2.200 2.200 peak 1510 volume 0.924E+04 ppm1 8.553 ppm2 7.517 ASSI { 1561} (( segid " " and resid "63 " and name "HB ")) (( segid " " and resid "63 " and name "HN ")) 2.700 2.000 2.000 peak 1561 volume 0.124E+05 ppm1 1.663 ppm2 7.380 ASSI { 1585} (( segid " " and resid "62 " and name "HB1 ") OR ( segid " " and resid "62 " and name "HB3 ") OR ( segid " " and resid "62 " and name "HB2 ")) (( segid " " and resid "62 " and name "HN ")) 2.300 1.200 1.200 peak 1585 volume 0.342E+05 ppm1 0.959 ppm2 7.278 ASSI { 1586} (( segid " " and resid "62 " and name "HA ")) (( segid " " and resid "62 " and name "HN ")) 2.600 1.800 1.800 peak 1586 volume 0.148E+05 ppm1 4.053 ppm2 7.278 ASSI { 1670} (( segid " " and resid "85 " and name "HE21")) (( segid " " and resid "85 " and name "HE22")) 1.700 0.500 0.500 peak 1670 volume 0.178E+06 ppm1 7.897 ppm2 6.858 ASSI { 609} (( segid " " and resid "47 " and name "HB2 ")) (( segid " " and resid "44 " and name "HA ")) 2.400 1.400 1.400 peak 609 volume 0.174E+04 ppm1 1.920 ppm2 4.649 OR { 609} (( segid " " and resid "47 " and name "HB1 ")) (( segid " " and resid "44 " and name "HA ")) ASSI { 636} (( segid " " and resid "76 " and name "HB1 ")) (( segid " " and resid "76 " and name "HA ")) 2.500 1.600 1.600 peak 636 volume 0.150E+04 ppm1 2.822 ppm2 4.649 ASSI { 1134} (( segid " " and resid "76 " and name "HB2 ")) (( segid " " and resid "76 " and name "HA ")) 2.500 1.600 1.600 peak 1134 volume 0.149E+04 ppm1 2.726 ppm2 4.637 ASSI { 1135} (( segid " " and resid "47 " and name "HB1 ")) (( segid " " and resid "44 " and name "HA ")) 2.600 1.800 1.800 peak 1135 volume 0.104E+04 ppm1 2.081 ppm2 4.637 ASSI { 1160} (( segid " " and resid "47 " and name "HG1 ")) (( segid " " and resid "44 " and name "HA ")) 2.500 1.600 1.600 peak 1160 volume 0.128E+04 ppm1 1.630 ppm2 4.637 OR { 1160} (( segid " " and resid "47 " and name "HD1 ")) (( segid " " and resid "44 " and name "HA ")) ASSI { 1164} (( segid " " and resid "47 " and name "HG2 ")) (( segid " " and resid "44 " and name "HA ")) 2.500 1.600 1.600 peak 1164 volume 0.139E+04 ppm1 1.566 ppm2 4.637 ASSI { 2481} (( segid " " and resid "18 " and name "HB1 ")) (( segid " " and resid "18 " and name "HA ")) 2.600 1.800 1.800 peak 2481 volume 0.103E+04 ppm1 3.069 ppm2 4.600 ASSI { 2642} (( segid " " and resid "91 " and name "HB2 ")) (( segid " " and resid "91 " and name "HA ")) 2.500 1.600 1.600 peak 2642 volume 0.150E+04 ppm1 3.445 ppm2 4.588 ASSI { 2672} (( segid " " and resid "96 " and name "HB2 ")) (( segid " " and resid "93 " and name "HA ")) 2.600 1.800 1.800 peak 2672 volume 0.101E+04 ppm1 2.027 ppm2 4.588 OR { 2672} (( segid " " and resid "96 " and name "HB1 ")) (( segid " " and resid "93 " and name "HA ")) ASSI { 2965} (( segid " " and resid "96 " and name "HG2 ")) (( segid " " and resid "93 " and name "HA ")) 2.500 1.600 1.600 peak 2965 volume 0.130E+04 ppm1 1.813 ppm2 4.563 OR { 2965} (( segid " " and resid "96 " and name "HG1 ")) (( segid " " and resid "93 " and name "HA ")) ASSI { 3187} (( segid " " and resid "20 " and name "HG2 ")) (( segid " " and resid "20 " and name "HA ")) 2.500 1.600 1.600 peak 3187 volume 0.153E+04 ppm1 2.468 ppm2 4.539 OR { 3187} (( segid " " and resid "20 " and name "HG1 ")) (( segid " " and resid "20 " and name "HA ")) ASSI { 3736} (( segid " " and resid "44 " and name "HA ")) (( segid " " and resid "47 " and name "HE2 ")) 2.600 1.800 1.800 peak 3736 volume 0.120E+04 ppm1 4.745 ppm2 3.046 ASSI { 4049} (( segid " " and resid "44 " and name "HA ")) (( segid " " and resid "47 " and name "HD1 ")) 2.500 1.600 1.600 peak 4049 volume 0.128E+04 ppm1 4.691 ppm2 1.737 OR { 4049} (( segid " " and resid "44 " and name "HA ")) (( segid " " and resid "47 " and name "HD2 ")) ASSI { 4331} (( segid " " and resid "44 " and name "HA ")) (( segid " " and resid "40 " and name "HG21") OR ( segid " " and resid "40 " and name "HG23") OR ( segid " " and resid "40 " and name "HG22")) 2.400 1.400 1.400 peak 4331 volume 0.194E+04 ppm1 4.627 ppm2 1.284 ASSI { 4381} (( segid " " and resid "63 " and name "HG21") OR ( segid " " and resid "63 " and name "HG23") OR ( segid " " and resid "63 " and name "HG22")) (( segid " " and resid "92 " and name "HG21") OR ( segid " " and resid "92 " and name "HG23") OR ( segid " " and resid "92 " and name "HG22")) 2.600 1.800 1.800 peak 4381 volume 0.101E+04 ppm1 -0.035 ppm2 1.174 ASSI { 4565} (( segid " " and resid "39 " and name "HA ")) (( segid " " and resid "39 " and name "HD11") OR ( segid " " and resid "39 " and name "HD13") OR ( segid " " and resid "39 " and name "HD12")) 2.300 1.200 1.200 peak 4565 volume 0.249E+04 ppm1 4.326 ppm2 0.966 ASSI { 4701} (( segid " " and resid "39 " and name "HA ")) (( segid " " and resid "39 " and name "HD21") OR ( segid " " and resid "39 " and name "HD23") OR ( segid " " and resid "39 " and name "HD22")) 2.500 1.600 1.600 peak 4701 volume 0.139E+04 ppm1 4.422 ppm2 0.881 # # Ambiguous distance restraints # ASSI { 8} (( segid " " and resid "20 " and name "HB1 ")) (( segid " " and resid "20 " and name "HN ")) 2.500 1.600 1.600 peak 8 volume 0.176E+05 ppm1 2.202 ppm2 9.513 OR { 8} (( segid " " and resid "19 " and name "HB2 ")) (( segid " " and resid "20 " and name "HN ")) OR { 8} (( segid " " and resid "19 " and name "HB1 ")) (( segid " " and resid "20 " and name "HN ")) ASSI { 20} (( segid " " and resid "82 " and name "HA ")) (( segid " " and resid "82 " and name "HN ")) 2.500 1.600 1.600 peak 20 volume 0.208E+05 ppm1 4.147 ppm2 9.083 OR { 20} (( segid " " and resid "80 " and name "HA1 ")) (( segid " " and resid "82 " and name "HN ")) ASSI { 23} (( segid " " and resid "23 " and name "HA ")) (( segid " " and resid "23 " and name "HN ")) 2.700 2.000 2.000 peak 23 volume 0.119E+05 ppm1 4.147 ppm2 9.056 OR { 23} (( segid " " and resid "22 " and name "HA ")) (( segid " " and resid "23 " and name "HN ")) ASSI { 24} (( segid " " and resid "24 " and name "HB2 ")) (( segid " " and resid "23 " and name "HN ")) 2.900 2.400 2.400 peak 24 volume 0.824E+04 ppm1 1.967 ppm2 9.056 OR { 24} (( segid " " and resid "24 " and name "HB1 ")) (( segid " " and resid "23 " and name "HN ")) OR { 24} (( segid " " and resid "25 " and name "HB2 ")) (( segid " " and resid "23 " and name "HN ")) ASSI { 34} (( segid " " and resid "22 " and name "HZ3 ")) (( segid " " and resid "23 " and name "HN ")) 2.800 2.200 2.200 peak 34 volume 0.872E+04 ppm1 7.405 ppm2 9.046 OR { 34} (( segid " " and resid "91 " and name "HD1 ") OR ( segid " " and resid "91 " and name "HD2 ")) (( segid " " and resid "23 " and name "HN ")) ASSI { 51} (( segid " " and resid "88 " and name "HA ")) (( segid " " and resid "88 " and name "HN ")) 2.600 1.800 1.800 peak 51 volume 0.142E+05 ppm1 4.241 ppm2 8.991 OR { 51} (( segid " " and resid "87 " and name "HA ")) (( segid " " and resid "88 " and name "HN ")) ASSI { 77} (( segid " " and resid "26 " and name "HN ")) (( segid " " and resid "27 " and name "HN ")) 2.200 1.100 1.100 peak 77 volume 0.357E+05 ppm1 7.850 ppm2 8.875 OR { 77} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "27 " and name "HN ")) ASSI { 78} (( segid " " and resid "30 " and name "HG21") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG22")) (( segid " " and resid "27 " and name "HN ")) 2.800 2.200 2.200 peak 78 volume 0.989E+04 ppm1 0.819 ppm2 8.875 OR { 78} (( segid " " and resid "28 " and name "HD21") OR ( segid " " and resid "28 " and name "HD23") OR ( segid " " and resid "28 " and name "HD22")) (( segid " " and resid "27 " and name "HN ")) OR { 78} (( segid " " and resid "28 " and name "HD11") OR ( segid " " and resid "28 " and name "HD13") OR ( segid " " and resid "28 " and name "HD12")) (( segid " " and resid "27 " and name "HN ")) ASSI { 87} (( segid " " and resid "56 " and name "HG ")) (( segid " " and resid "56 " and name "HN ")) 2.700 2.000 2.000 peak 87 volume 0.116E+05 ppm1 1.686 ppm2 8.831 OR { 87} (( segid " " and resid "57 " and name "HB1 ") OR ( segid " " and resid "57 " and name "HB3 ") OR ( segid " " and resid "57 " and name "HB2 ")) (( segid " " and resid "56 " and name "HN ")) OR { 87} (( segid " " and resid "54 " and name "HB1 ") OR ( segid " " and resid "54 " and name "HB3 ") OR ( segid " " and resid "54 " and name "HB2 ")) (( segid " " and resid "56 " and name "HN ")) OR { 87} (( segid " " and resid "52 " and name "HG ")) (( segid " " and resid "56 " and name "HN ")) ASSI { 93} (( segid " " and resid "55 " and name "HA ")) (( segid " " and resid "56 " and name "HN ")) 2.800 2.200 2.200 peak 93 volume 0.103E+05 ppm1 4.334 ppm2 8.827 OR { 93} (( segid " " and resid "52 " and name "HA ")) (( segid " " and resid "56 " and name "HN ")) OR { 93} (( segid " " and resid "54 " and name "HA ")) (( segid " " and resid "56 " and name "HN ")) ASSI { 116} (( segid " " and resid "80 " and name "HA1 ")) (( segid " " and resid "80 " and name "HN ")) 2.100 0.900 0.900 peak 116 volume 0.522E+05 ppm1 4.194 ppm2 8.711 OR { 116} (( segid " " and resid "80 " and name "HA2 ")) (( segid " " and resid "80 " and name "HN ")) OR { 116} (( segid " " and resid "79 " and name "HA ")) (( segid " " and resid "80 " and name "HN ")) ASSI { 198} (( segid " " and resid "50 " and name "HA ")) (( segid " " and resid "53 " and name "HN ")) 2.800 2.200 2.200 peak 198 volume 0.925E+04 ppm1 4.194 ppm2 8.630 OR { 198} (( segid " " and resid "51 " and name "HA ")) (( segid " " and resid "53 " and name "HN ")) ASSI { 210} (( segid " " and resid "14 " and name "HA ")) (( segid " " and resid "17 " and name "HN ")) 2.600 1.800 1.800 peak 210 volume 0.136E+05 ppm1 3.983 ppm2 8.626 OR { 210} (( segid " " and resid "42 " and name "HA ")) (( segid " " and resid "43 " and name "HN ")) OR { 210} (( segid " " and resid "13 " and name "HA ")) (( segid " " and resid "17 " and name "HN ")) ASSI { 215} (( segid " " and resid "46 " and name "HA ")) (( segid " " and resid "46 " and name "HN ")) 2.500 1.600 1.600 peak 215 volume 0.179E+05 ppm1 4.100 ppm2 8.602 OR { 215} (( segid " " and resid "43 " and name "HA ")) (( segid " " and resid "46 " and name "HN ")) ASSI { 220} (( segid " " and resid "5 " and name "HB2 ")) (( segid " " and resid "4 " and name "HN ")) 2.300 1.200 1.200 peak 220 volume 0.294E+05 ppm1 1.991 ppm2 8.599 OR { 220} (( segid " " and resid "2 " and name "HB2 ")) (( segid " " and resid "4 " and name "HN ")) ASSI { 223} (( segid " " and resid "45 " and name "HB2 ")) (( segid " " and resid "46 " and name "HN ")) 2.700 2.000 2.000 peak 223 volume 0.122E+05 ppm1 1.709 ppm2 8.599 OR { 223} (( segid " " and resid "45 " and name "HB1 ")) (( segid " " and resid "46 " and name "HN ")) OR { 223} (( segid " " and resid "3 " and name "HB1 ")) (( segid " " and resid "4 " and name "HN ")) ASSI { 235} (( segid " " and resid "32 " and name "HA ")) (( segid " " and resid "33 " and name "HN ")) 2.400 1.400 1.400 peak 235 volume 0.271E+05 ppm1 4.452 ppm2 8.582 OR { 235} (( segid " " and resid "31 " and name "HA ")) (( segid " " and resid "33 " and name "HN ")) ASSI { 253} (( segid " " and resid "92 " and name "HA ")) (( segid " " and resid "92 " and name "HN ")) 2.600 1.800 1.800 peak 253 volume 0.161E+05 ppm1 3.608 ppm2 8.575 OR { 253} (( segid " " and resid "91 " and name "HB1 ")) (( segid " " and resid "92 " and name "HN ")) ASSI { 271} (( segid " " and resid "101 " and name "HA ")) (( segid " " and resid "101 " and name "HN ")) 2.500 1.600 1.600 peak 271 volume 0.210E+05 ppm1 4.123 ppm2 8.534 OR { 271} (( segid " " and resid "100 " and name "HA ")) (( segid " " and resid "101 " and name "HN ")) ASSI { 276} (( segid " " and resid "20 " and name "HG2 ")) (( segid " " and resid "21 " and name "HN ")) 2.600 1.800 1.800 peak 276 volume 0.157E+05 ppm1 2.530 ppm2 8.531 OR { 276} (( segid " " and resid "20 " and name "HG1 ")) (( segid " " and resid "21 " and name "HN ")) OR { 276} (( segid " " and resid "19 " and name "HG1 ")) (( segid " " and resid "21 " and name "HN ")) OR { 276} (( segid " " and resid "19 " and name "HG2 ")) (( segid " " and resid "21 " and name "HN ")) ASSI { 279} (( segid " " and resid "20 " and name "HA ")) (( segid " " and resid "21 " and name "HN ")) 2.800 2.200 2.200 peak 279 volume 0.864E+04 ppm1 4.569 ppm2 8.531 OR { 279} (( segid " " and resid "18 " and name "HA ")) (( segid " " and resid "21 " and name "HN ")) ASSI { 291} (( segid " " and resid "91 " and name "HA ")) (( segid " " and resid "94 " and name "HN ")) 2.800 2.200 2.200 peak 291 volume 0.102E+05 ppm1 4.569 ppm2 8.517 OR { 291} (( segid " " and resid "93 " and name "HA ")) (( segid " " and resid "94 " and name "HN ")) ASSI { 304} (( segid " " and resid "18 " and name "HB2 ")) (( segid " " and resid "18 " and name "HN ")) 2.600 1.800 1.800 peak 304 volume 0.159E+05 ppm1 2.764 ppm2 8.507 OR { 304} (( segid " " and resid "17 " and name "HB2 ")) (( segid " " and resid "18 " and name "HN ")) ASSI { 337} (( segid " " and resid "39 " and name "HA ")) (( segid " " and resid "39 " and name "HN ")) 2.700 2.000 2.000 peak 337 volume 0.109E+05 ppm1 4.311 ppm2 8.452 OR { 337} (( segid " " and resid "37 " and name "HA ")) (( segid " " and resid "39 " and name "HN ")) ASSI { 355} (( segid " " and resid "82 " and name "HA ")) (( segid " " and resid "85 " and name "HN ")) 2.900 2.400 2.400 peak 355 volume 0.809E+04 ppm1 4.147 ppm2 8.438 OR { 355} (( segid " " and resid "83 " and name "HA ")) (( segid " " and resid "85 " and name "HN ")) ASSI { 366} (( segid " " and resid "69 " and name "HA ")) (( segid " " and resid "69 " and name "HN ")) 2.400 1.400 1.400 peak 366 volume 0.220E+05 ppm1 3.866 ppm2 8.438 OR { 366} (( segid " " and resid "66 " and name "HA ")) (( segid " " and resid "69 " and name "HN ")) ASSI { 367} (( segid " " and resid "97 " and name "HA ")) (( segid " " and resid "97 " and name "HN ")) 2.400 1.400 1.400 peak 367 volume 0.255E+05 ppm1 4.030 ppm2 8.438 OR { 367} (( segid " " and resid "65 " and name "HA1 ")) (( segid " " and resid "69 " and name "HN ")) ASSI { 426} (( segid " " and resid "55 " and name "HA ")) (( segid " " and resid "55 " and name "HN ")) 2.300 1.200 1.200 peak 426 volume 0.284E+05 ppm1 4.334 ppm2 8.353 OR { 426} (( segid " " and resid "52 " and name "HA ")) (( segid " " and resid "55 " and name "HN ")) ASSI { 447} (( segid " " and resid "39 " and name "HB1 ")) (( segid " " and resid "40 " and name "HN ")) 2.900 2.400 2.400 peak 447 volume 0.849E+04 ppm1 1.709 ppm2 8.339 OR { 447} (( segid " " and resid "39 " and name "HB2 ")) (( segid " " and resid "40 " and name "HN ")) OR { 447} (( segid " " and resid "37 " and name "HB2 ")) (( segid " " and resid "40 " and name "HN ")) ASSI { 466} (( segid " " and resid "11 " and name "HA ")) (( segid " " and resid "11 " and name "HN ")) 2.400 1.400 1.400 peak 466 volume 0.222E+05 ppm1 4.194 ppm2 8.326 OR { 466} (( segid " " and resid "50 " and name "HA ")) (( segid " " and resid "50 " and name "HN ")) OR { 466} (( segid " " and resid "87 " and name "HA ")) (( segid " " and resid "87 " and name "HN ")) OR { 466} (( segid " " and resid "47 " and name "HA ")) (( segid " " and resid "50 " and name "HN ")) OR { 466} (( segid " " and resid "86 " and name "HA ")) (( segid " " and resid "87 " and name "HN ")) ASSI { 472} (( segid " " and resid "50 " and name "HG1 ")) (( segid " " and resid "50 " and name "HN ")) 2.600 1.800 1.800 peak 472 volume 0.139E+05 ppm1 1.803 ppm2 8.319 OR { 472} (( segid " " and resid "88 " and name "HB1 ")) (( segid " " and resid "87 " and name "HN ")) OR { 472} (( segid " " and resid "88 " and name "HB2 ")) (( segid " " and resid "87 " and name "HN ")) OR { 472} (( segid " " and resid "46 " and name "HE ")) (( segid " " and resid "50 " and name "HN ")) ASSI { 473} (( segid " " and resid "49 " and name "HB1 ")) (( segid " " and resid "50 " and name "HN ")) 2.900 2.400 2.400 peak 473 volume 0.826E+04 ppm1 3.280 ppm2 8.319 OR { 473} (( segid " " and resid "50 " and name "HE1 ")) (( segid " " and resid "50 " and name "HN ")) ASSI { 474} (( segid " " and resid "11 " and name "HB2 ")) (( segid " " and resid "11 " and name "HN ")) 2.300 1.200 1.200 peak 474 volume 0.344E+05 ppm1 1.967 ppm2 8.319 OR { 474} (( segid " " and resid "87 " and name "HB2 ")) (( segid " " and resid "87 " and name "HN ")) ASSI { 475} (( segid " " and resid "87 " and name "HB1 ")) (( segid " " and resid "87 " and name "HN ")) 2.200 1.100 1.100 peak 475 volume 0.454E+05 ppm1 2.108 ppm2 8.319 OR { 475} (( segid " " and resid "11 " and name "HB1 ")) (( segid " " and resid "11 " and name "HN ")) ASSI { 482} (( segid " " and resid "41 " and name "HA1 ")) (( segid " " and resid "41 " and name "HN ")) 2.400 1.400 1.400 peak 482 volume 0.272E+05 ppm1 4.241 ppm2 8.312 OR { 482} (( segid " " and resid "40 " and name "HA ")) (( segid " " and resid "41 " and name "HN ")) ASSI { 514} (( segid " " and resid "86 " and name "HA ")) (( segid " " and resid "86 " and name "HN ")) 2.300 1.200 1.200 peak 514 volume 0.314E+05 ppm1 4.241 ppm2 8.298 OR { 514} (( segid " " and resid "41 " and name "HA1 ")) (( segid " " and resid "38 " and name "HN ")) ASSI { 521} (( segid " " and resid "100 " and name "HB2 ")) (( segid " " and resid "100 " and name "HN ")) 2.100 0.900 0.900 peak 521 volume 0.577E+05 ppm1 2.248 ppm2 8.295 OR { 521} (( segid " " and resid "86 " and name "HB2 ")) (( segid " " and resid "86 " and name "HN ")) OR { 521} (( segid " " and resid "86 " and name "HB1 ")) (( segid " " and resid "86 " and name "HN ")) OR { 521} (( segid " " and resid "100 " and name "HB1 ")) (( segid " " and resid "100 " and name "HN ")) ASSI { 522} (( segid " " and resid "24 " and name "HD1 ")) (( segid " " and resid "24 " and name "HN ")) 2.800 2.200 2.200 peak 522 volume 0.934E+04 ppm1 1.663 ppm2 8.295 OR { 522} (( segid " " and resid "24 " and name "HD2 ")) (( segid " " and resid "24 " and name "HN ")) OR { 522} (( segid " " and resid "26 " and name "HB1 ")) (( segid " " and resid "24 " and name "HN ")) ASSI { 531} (( segid " " and resid "100 " and name "HG1 ")) (( segid " " and resid "100 " and name "HN ")) 2.800 2.200 2.200 peak 531 volume 0.943E+04 ppm1 2.530 ppm2 8.281 OR { 531} (( segid " " and resid "86 " and name "HG2 ")) (( segid " " and resid "86 " and name "HN ")) OR { 531} (( segid " " and resid "85 " and name "HG2 ")) (( segid " " and resid "86 " and name "HN ")) ASSI { 533} (( segid " " and resid "100 " and name "HA ")) (( segid " " and resid "100 " and name "HN ")) 2.400 1.400 1.400 peak 533 volume 0.265E+05 ppm1 4.077 ppm2 8.278 OR { 533} (( segid " " and resid "97 " and name "HA ")) (( segid " " and resid "100 " and name "HN ")) OR { 533} (( segid " " and resid "85 " and name "HA ")) (( segid " " and resid "86 " and name "HN ")) ASSI { 542} (( segid " " and resid "44 " and name "HB1 ")) (( segid " " and resid "44 " and name "HN ")) 2.600 1.800 1.800 peak 542 volume 0.145E+05 ppm1 2.811 ppm2 8.268 OR { 542} (( segid " " and resid "44 " and name "HB2 ")) (( segid " " and resid "44 " and name "HN ")) OR { 542} (( segid " " and resid "76 " and name "HB1 ")) (( segid " " and resid "77 " and name "HN ")) ASSI { 543} (( segid " " and resid "75 " and name "HA ")) (( segid " " and resid "77 " and name "HN ")) 2.800 2.200 2.200 peak 543 volume 0.943E+04 ppm1 4.498 ppm2 8.268 ASSI { 546} (( segid " " and resid "92 " and name "HB ")) (( segid " " and resid "91 " and name "HN ")) 2.900 2.400 2.400 peak 546 volume 0.855E+04 ppm1 2.272 ppm2 8.264 OR { 546} (( segid " " and resid "20 " and name "HB1 ")) (( segid " " and resid "91 " and name "HN ")) OR { 546} (( segid " " and resid "19 " and name "HB2 ")) (( segid " " and resid "91 " and name "HN ")) ASSI { 571} (( segid " " and resid "42 " and name "HA ")) (( segid " " and resid "42 " and name "HN ")) 2.500 1.600 1.600 peak 571 volume 0.199E+05 ppm1 3.983 ppm2 8.247 OR { 571} (( segid " " and resid "41 " and name "HA2 ")) (( segid " " and resid "42 " and name "HN ")) ASSI { 577} (( segid " " and resid "32 " and name "HA ")) (( segid " " and resid "34 " and name "HN ")) 2.700 2.000 2.000 peak 577 volume 0.129E+05 ppm1 4.428 ppm2 8.247 OR { 577} (( segid " " and resid "31 " and name "HA ")) (( segid " " and resid "34 " and name "HN ")) ASSI { 593} (( segid " " and resid "45 " and name "HA ")) (( segid " " and resid "45 " and name "HN ")) 2.600 1.800 1.800 peak 593 volume 0.140E+05 ppm1 4.100 ppm2 8.223 OR { 593} (( segid " " and resid "41 " and name "HA2 ")) (( segid " " and resid "45 " and name "HN ")) ASSI { 598} (( segid " " and resid "46 " and name "HB2 ")) (( segid " " and resid "45 " and name "HN ")) 2.600 1.800 1.800 peak 598 volume 0.146E+05 ppm1 1.827 ppm2 8.223 OR { 598} (( segid " " and resid "46 " and name "HB1 ")) (( segid " " and resid "45 " and name "HN ")) OR { 598} (( segid " " and resid "47 " and name "HD1 ")) (( segid " " and resid "45 " and name "HN ")) OR { 598} (( segid " " and resid "46 " and name "HE ")) (( segid " " and resid "45 " and name "HN ")) ASSI { 673} (( segid " " and resid "58 " and name "HB1 ") OR ( segid " " and resid "58 " and name "HB3 ") OR ( segid " " and resid "58 " and name "HB2 ")) (( segid " " and resid "58 " and name "HN ")) 2.100 0.900 0.900 peak 673 volume 0.609E+05 ppm1 1.639 ppm2 8.169 OR { 673} (( segid " " and resid "57 " and name "HB1 ") OR ( segid " " and resid "57 " and name "HB3 ") OR ( segid " " and resid "57 " and name "HB2 ")) (( segid " " and resid "58 " and name "HN ")) ASSI { 686} (( segid " " and resid "83 " and name "HB2 ")) (( segid " " and resid "83 " and name "HN ")) 2.200 1.100 1.100 peak 686 volume 0.463E+05 ppm1 2.202 ppm2 8.162 OR { 686} (( segid " " and resid "83 " and name "HB1 ")) (( segid " " and resid "83 " and name "HN ")) OR { 686} (( segid " " and resid "82 " and name "HB1 ")) (( segid " " and resid "83 " and name "HN ")) ASSI { 696} (( segid " " and resid "104 " and name "HA ")) (( segid " " and resid "104 " and name "HN ")) 2.300 1.200 1.200 peak 696 volume 0.276E+05 ppm1 4.170 ppm2 8.155 OR { 696} (( segid " " and resid "103 " and name "HA ")) (( segid " " and resid "103 " and name "HN ")) OR { 696} (( segid " " and resid "102 " and name "HA ")) (( segid " " and resid "102 " and name "HN ")) OR { 696} (( segid " " and resid "19 " and name "HA ")) (( segid " " and resid "19 " and name "HN ")) OR { 696} (( segid " " and resid "101 " and name "HA ")) (( segid " " and resid "104 " and name "HN ")) OR { 696} (( segid " " and resid "100 " and name "HA ")) (( segid " " and resid "103 " and name "HN ")) OR { 696} (( segid " " and resid "101 " and name "HA ")) (( segid " " and resid "102 " and name "HN ")) ASSI { 697} (( segid " " and resid "102 " and name "HB1 ") OR ( segid " " and resid "102 " and name "HB3 ") OR ( segid " " and resid "102 " and name "HB2 ")) (( segid " " and resid "102 " and name "HN ")) 2.000 0.800 0.800 peak 697 volume 0.638E+05 ppm1 1.522 ppm2 8.155 OR { 697} (( segid " " and resid "104 " and name "HB1 ") OR ( segid " " and resid "104 " and name "HB3 ") OR ( segid " " and resid "104 " and name "HB2 ")) (( segid " " and resid "104 " and name "HN ")) OR { 697} (( segid " " and resid "103 " and name "HB1 ") OR ( segid " " and resid "103 " and name "HB3 ") OR ( segid " " and resid "103 " and name "HB2 ")) (( segid " " and resid "103 " and name "HN ")) OR { 697} (( segid " " and resid "103 " and name "HB1 ") OR ( segid " " and resid "103 " and name "HB3 ") OR ( segid " " and resid "103 " and name "HB2 ")) (( segid " " and resid "104 " and name "HN ")) ASSI { 748} (( segid " " and resid "30 " and name "HA ")) (( segid " " and resid "30 " and name "HN ")) 2.400 1.400 1.400 peak 748 volume 0.231E+05 ppm1 3.702 ppm2 8.118 OR { 748} (( segid " " and resid "27 " and name "HA ")) (( segid " " and resid "30 " and name "HN ")) ASSI { 795} (( segid " " and resid "12 " and name "HD1 ") OR ( segid " " and resid "12 " and name "HD2 ")) (( segid " " and resid "13 " and name "HN ")) 2.800 2.200 2.200 peak 795 volume 0.965E+04 ppm1 6.772 ppm2 8.094 OR { 795} (( segid " " and resid "12 " and name "HD1 ") OR ( segid " " and resid "12 " and name "HD2 ")) (( segid " " and resid "12 " and name "HN ")) ASSI { 797} (( segid " " and resid "13 " and name "HB1 ")) (( segid " " and resid "13 " and name "HN ")) 2.500 1.600 1.600 peak 797 volume 0.180E+05 ppm1 3.209 ppm2 8.090 OR { 797} (( segid " " and resid "12 " and name "HB1 ")) (( segid " " and resid "12 " and name "HN ")) ASSI { 800} (( segid " " and resid "12 " and name "HB2 ")) (( segid " " and resid "12 " and name "HN ")) 2.300 1.200 1.200 peak 800 volume 0.277E+05 ppm1 2.998 ppm2 8.087 OR { 800} (( segid " " and resid "13 " and name "HB2 ")) (( segid " " and resid "13 " and name "HN ")) ASSI { 802} (( segid " " and resid "12 " and name "HA ")) (( segid " " and resid "12 " and name "HN ")) 2.500 1.600 1.600 peak 802 volume 0.184E+05 ppm1 3.983 ppm2 8.087 OR { 802} (( segid " " and resid "13 " and name "HA ")) (( segid " " and resid "13 " and name "HN ")) ASSI { 810} (( segid " " and resid "78 " and name "HA ")) (( segid " " and resid "79 " and name "HN ")) 2.300 1.200 1.200 peak 810 volume 0.285E+05 ppm1 4.241 ppm2 8.083 OR { 810} (( segid " " and resid "79 " and name "HA ")) (( segid " " and resid "79 " and name "HN ")) ASSI { 831} (( segid " " and resid "73 " and name "HA ")) (( segid " " and resid "73 " and name "HN ")) 2.500 1.600 1.600 peak 831 volume 0.172E+05 ppm1 4.030 ppm2 8.073 OR { 831} (( segid " " and resid "72 " and name "HA ")) (( segid " " and resid "73 " and name "HN ")) ASSI { 861} (( segid " " and resid "48 " and name "HB2 ")) (( segid " " and resid "48 " and name "HN ")) 2.200 1.100 1.100 peak 861 volume 0.398E+05 ppm1 1.967 ppm2 8.039 OR { 861} (( segid " " and resid "48 " and name "HB1 ")) (( segid " " and resid "48 " and name "HN ")) OR { 861} (( segid " " and resid "47 " and name "HB2 ")) (( segid " " and resid "48 " and name "HN ")) ASSI { 862} (( segid " " and resid "48 " and name "HA ")) (( segid " " and resid "48 " and name "HN ")) 2.400 1.400 1.400 peak 862 volume 0.223E+05 ppm1 4.077 ppm2 8.039 OR { 862} (( segid " " and resid "45 " and name "HA ")) (( segid " " and resid "48 " and name "HN ")) OR { 862} (( segid " " and resid "47 " and name "HA ")) (( segid " " and resid "48 " and name "HN ")) ASSI { 870} (( segid " " and resid "35 " and name "HA ")) (( segid " " and resid "35 " and name "HN ")) 2.600 1.800 1.800 peak 870 volume 0.143E+05 ppm1 4.405 ppm2 8.029 OR { 870} (( segid " " and resid "32 " and name "HA ")) (( segid " " and resid "35 " and name "HN ")) ASSI { 890} (( segid " " and resid "57 " and name "HA ")) (( segid " " and resid "57 " and name "HN ")) 2.500 1.600 1.600 peak 890 volume 0.205E+05 ppm1 4.428 ppm2 8.022 OR { 890} (( segid " " and resid "54 " and name "HA ")) (( segid " " and resid "57 " and name "HN ")) ASSI { 893} (( segid " " and resid "104 " and name "HB1 ") OR ( segid " " and resid "104 " and name "HB3 ") OR ( segid " " and resid "104 " and name "HB2 ")) (( segid " " and resid "105 " and name "HN ")) 2.400 1.400 1.400 peak 893 volume 0.268E+05 ppm1 1.545 ppm2 8.019 OR { 893} (( segid " " and resid "105 " and name "HG2 ")) (( segid " " and resid "105 " and name "HN ")) ASSI { 897} (( segid " " and resid "105 " and name "HA ")) (( segid " " and resid "105 " and name "HN ")) 2.400 1.400 1.400 peak 897 volume 0.232E+05 ppm1 4.123 ppm2 8.019 OR { 897} (( segid " " and resid "102 " and name "HA ")) (( segid " " and resid "105 " and name "HN ")) OR { 897} (( segid " " and resid "104 " and name "HA ")) (( segid " " and resid "105 " and name "HN ")) ASSI { 939} (( segid " " and resid "59 " and name "HA ")) (( segid " " and resid "59 " and name "HN ")) 2.500 1.600 1.600 peak 939 volume 0.180E+05 ppm1 4.311 ppm2 7.998 OR { 939} (( segid " " and resid "55 " and name "HA ")) (( segid " " and resid "59 " and name "HN ")) ASSI { 953} (( segid " " and resid "100 " and name "HB2 ")) (( segid " " and resid "99 " and name "HN ")) 2.800 2.200 2.200 peak 953 volume 0.106E+05 ppm1 2.178 ppm2 7.984 OR { 953} (( segid " " and resid "97 " and name "HB2 ")) (( segid " " and resid "99 " and name "HN ")) OR { 953} (( segid " " and resid "100 " and name "HB1 ")) (( segid " " and resid "99 " and name "HN ")) ASSI { 959} (( segid " " and resid "81 " and name "HA ")) (( segid " " and resid "81 " and name "HN ")) 2.500 1.600 1.600 peak 959 volume 0.194E+05 ppm1 3.983 ppm2 7.984 OR { 959} (( segid " " and resid "85 " and name "HA ")) (( segid " " and resid "89 " and name "HN ")) ASSI { 964} (( segid " " and resid "99 " and name "HB2 ")) (( segid " " and resid "99 " and name "HN ")) 2.300 1.200 1.200 peak 964 volume 0.313E+05 ppm1 1.545 ppm2 7.984 OR { 964} (( segid " " and resid "99 " and name "HB1 ")) (( segid " " and resid "99 " and name "HN ")) OR { 964} (( segid " " and resid "98 " and name "HB1 ")) (( segid " " and resid "99 " and name "HN ")) ASSI { 965} (( segid " " and resid "89 " and name "HA ")) (( segid " " and resid "89 " and name "HN ")) 2.200 1.100 1.100 peak 965 volume 0.383E+05 ppm1 4.194 ppm2 7.981 OR { 965} (( segid " " and resid "80 " and name "HA1 ")) (( segid " " and resid "81 " and name "HN ")) OR { 965} (( segid " " and resid "80 " and name "HA2 ")) (( segid " " and resid "81 " and name "HN ")) OR { 965} (( segid " " and resid "78 " and name "HA ")) (( segid " " and resid "81 " and name "HN ")) OR { 965} (( segid " " and resid "78 " and name "HB ")) (( segid " " and resid "81 " and name "HN ")) ASSI { 1011} (( segid " " and resid "64 " and name "HA ")) (( segid " " and resid "67 " and name "HN ")) 2.700 2.000 2.000 peak 1011 volume 0.123E+05 ppm1 3.866 ppm2 7.957 OR { 1011} (( segid " " and resid "66 " and name "HA ")) (( segid " " and resid "67 " and name "HN ")) OR { 1011} (( segid " " and resid "65 " and name "HA2 ")) (( segid " " and resid "67 " and name "HN ")) ASSI { 1012} (( segid " " and resid "22 " and name "HA ")) (( segid " " and resid "22 " and name "HN ")) 2.400 1.400 1.400 peak 1012 volume 0.238E+05 ppm1 4.170 ppm2 7.957 OR { 1012} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "22 " and name "HN ")) OR { 1012} (( segid " " and resid "21 " and name "HB1 ")) (( segid " " and resid "22 " and name "HN ")) ASSI { 1037} (( segid " " and resid "67 " and name "HB2 ")) (( segid " " and resid "67 " and name "HN ")) 2.100 0.900 0.900 peak 1037 volume 0.507E+05 ppm1 1.522 ppm2 7.950 OR { 1037} (( segid " " and resid "67 " and name "HB1 ")) (( segid " " and resid "67 " and name "HN ")) OR { 1037} (( segid " " and resid "9 " and name "HG ")) (( segid " " and resid "9 " and name "HN ")) ASSI { 1043} (( segid " " and resid "25 " and name "HA ")) (( segid " " and resid "25 " and name "HN ")) 2.400 1.400 1.400 peak 1043 volume 0.214E+05 ppm1 3.959 ppm2 7.944 OR { 1043} (( segid " " and resid "24 " and name "HA ")) (( segid " " and resid "25 " and name "HN ")) ASSI { 1151} (( segid " " and resid "28 " and name "HA ")) (( segid " " and resid "28 " and name "HN ")) 2.300 1.200 1.200 peak 1151 volume 0.315E+05 ppm1 3.983 ppm2 7.858 OR { 1151} (( segid " " and resid "24 " and name "HA ")) (( segid " " and resid "28 " and name "HN ")) ASSI { 1173} (( segid " " and resid "47 " and name "HA ")) (( segid " " and resid "47 " and name "HN ")) 2.500 1.600 1.600 peak 1173 volume 0.171E+05 ppm1 4.100 ppm2 7.841 OR { 1173} (( segid " " and resid "46 " and name "HA ")) (( segid " " and resid "47 " and name "HN ")) ASSI { 1196} (( segid " " and resid "48 " and name "HA ")) (( segid " " and resid "51 " and name "HN ")) 2.900 2.400 2.400 peak 1196 volume 0.816E+04 ppm1 4.077 ppm2 7.814 OR { 1196} (( segid " " and resid "47 " and name "HA ")) (( segid " " and resid "51 " and name "HN ")) ASSI { 1207} (( segid " " and resid "51 " and name "HA ")) (( segid " " and resid "51 " and name "HN ")) 2.600 1.800 1.800 peak 1207 volume 0.148E+05 ppm1 4.241 ppm2 7.814 OR { 1207} (( segid " " and resid "50 " and name "HA ")) (( segid " " and resid "51 " and name "HN ")) ASSI { 1234} (( segid " " and resid "30 " and name "HA ")) (( segid " " and resid "31 " and name "HN ")) 2.700 2.000 2.000 peak 1234 volume 0.111E+05 ppm1 3.702 ppm2 7.793 OR { 1234} (( segid " " and resid "27 " and name "HA ")) (( segid " " and resid "31 " and name "HN ")) ASSI { 1246} (( segid " " and resid "30 " and name "HG11") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG12")) (( segid " " and resid "31 " and name "HN ")) 2.700 2.000 2.000 peak 1246 volume 0.130E+05 ppm1 0.889 ppm2 7.790 OR { 1246} (( segid " " and resid "30 " and name "HG21") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG22")) (( segid " " and resid "31 " and name "HN ")) OR { 1246} (( segid " " and resid "28 " and name "HD11") OR ( segid " " and resid "28 " and name "HD13") OR ( segid " " and resid "28 " and name "HD12")) (( segid " " and resid "31 " and name "HN ")) ASSI { 1260} (( segid " " and resid "52 " and name "HB1 ")) (( segid " " and resid "52 " and name "HN ")) 2.400 1.400 1.400 peak 1260 volume 0.235E+05 ppm1 2.014 ppm2 7.780 OR { 1260} (( segid " " and resid "51 " and name "HB1 ")) (( segid " " and resid "52 " and name "HN ")) OR { 1260} (( segid " " and resid "51 " and name "HB2 ")) (( segid " " and resid "52 " and name "HN ")) ASSI { 1262} (( segid " " and resid "52 " and name "HA ")) (( segid " " and resid "52 " and name "HN ")) 2.600 1.800 1.800 peak 1262 volume 0.151E+05 ppm1 4.311 ppm2 7.780 OR { 1262} (( segid " " and resid "51 " and name "HA ")) (( segid " " and resid "52 " and name "HN ")) ASSI { 1263} (( segid " " and resid "51 " and name "HG2 ")) (( segid " " and resid "52 " and name "HN ")) 2.600 1.800 1.800 peak 1263 volume 0.157E+05 ppm1 1.733 ppm2 7.780 OR { 1263} (( segid " " and resid "54 " and name "HB1 ") OR ( segid " " and resid "54 " and name "HB3 ") OR ( segid " " and resid "54 " and name "HB2 ")) (( segid " " and resid "52 " and name "HN ")) OR { 1263} (( segid " " and resid "50 " and name "HG1 ")) (( segid " " and resid "52 " and name "HN ")) ASSI { 1293} (( segid " " and resid "14 " and name "HA ")) (( segid " " and resid "14 " and name "HN ")) 2.500 1.600 1.600 peak 1293 volume 0.194E+05 ppm1 4.030 ppm2 7.769 OR { 1293} (( segid " " and resid "90 " and name "HA ")) (( segid " " and resid "93 " and name "HN ")) OR { 1293} (( segid " " and resid "13 " and name "HA ")) (( segid " " and resid "14 " and name "HN ")) ASSI { 1311} (( segid " " and resid "75 " and name "HB2 ")) (( segid " " and resid "76 " and name "HN ")) 2.400 1.400 1.400 peak 1311 volume 0.267E+05 ppm1 2.694 ppm2 7.756 OR { 1311} (( segid " " and resid "76 " and name "HB2 ")) (( segid " " and resid "76 " and name "HN ")) OR { 1311} (( segid " " and resid "75 " and name "HB1 ")) (( segid " " and resid "76 " and name "HN ")) ASSI { 1342} (( segid " " and resid "99 " and name "HA ")) (( segid " " and resid "98 " and name "HN ")) 2.900 2.400 2.400 peak 1342 volume 0.857E+04 ppm1 3.584 ppm2 7.729 OR { 1342} (( segid " " and resid "95 " and name "HB1 ")) (( segid " " and resid "98 " and name "HN ")) OR { 1342} (( segid " " and resid "95 " and name "HB2 ")) (( segid " " and resid "98 " and name "HN ")) ASSI { 1346} (( segid " " and resid "107 " and name "HA ")) (( segid " " and resid "107 " and name "HN ")) 2.400 1.400 1.400 peak 1346 volume 0.243E+05 ppm1 4.217 ppm2 7.729 OR { 1346} (( segid " " and resid "104 " and name "HA ")) (( segid " " and resid "107 " and name "HN ")) ASSI { 1348} (( segid " " and resid "98 " and name "HA ")) (( segid " " and resid "98 " and name "HN ")) 2.600 1.800 1.800 peak 1348 volume 0.167E+05 ppm1 3.936 ppm2 7.729 OR { 1348} (( segid " " and resid "97 " and name "HA ")) (( segid " " and resid "98 " and name "HN ")) ASSI { 1354} (( segid " " and resid "109 " and name "HA ")) (( segid " " and resid "109 " and name "HN ")) 2.500 1.600 1.600 peak 1354 volume 0.168E+05 ppm1 4.358 ppm2 7.708 OR { 1354} (( segid " " and resid "60 " and name "HA ")) (( segid " " and resid "60 " and name "HN ")) OR { 1354} (( segid " " and resid "108 " and name "HA ")) (( segid " " and resid "109 " and name "HN ")) ASSI { 1356} (( segid " " and resid "109 " and name "HB1 ")) (( segid " " and resid "109 " and name "HN ")) 2.300 1.200 1.200 peak 1356 volume 0.294E+05 ppm1 1.733 ppm2 7.705 OR { 1356} (( segid " " and resid "108 " and name "HG2 ")) (( segid " " and resid "109 " and name "HN ")) ASSI { 1367} (( segid " " and resid "107 " and name "HA ")) (( segid " " and resid "108 " and name "HN ")) 2.600 1.800 1.800 peak 1367 volume 0.143E+05 ppm1 4.217 ppm2 7.681 OR { 1367} (( segid " " and resid "105 " and name "HA ")) (( segid " " and resid "108 " and name "HN ")) ASSI { 1402} (( segid " " and resid "87 " and name "HA ")) (( segid " " and resid "90 " and name "HN ")) 2.600 1.800 1.800 peak 1402 volume 0.147E+05 ppm1 4.194 ppm2 7.619 OR { 1402} (( segid " " and resid "89 " and name "HA ")) (( segid " " and resid "90 " and name "HN ")) OR { 1402} (( segid " " and resid "88 " and name "HA ")) (( segid " " and resid "90 " and name "HN ")) ASSI { 1423} (( segid " " and resid "66 " and name "HA ")) (( segid " " and resid "66 " and name "HN ")) 2.400 1.400 1.400 peak 1423 volume 0.265E+05 ppm1 3.889 ppm2 7.599 OR { 1423} (( segid " " and resid "65 " and name "HA2 ")) (( segid " " and resid "66 " and name "HN ")) ASSI { 1479} (( segid " " and resid "109 " and name "HB1 ")) (( segid " " and resid "110 " and name "HN ")) 2.800 2.200 2.200 peak 1479 volume 0.105E+05 ppm1 1.733 ppm2 7.534 OR { 1479} (( segid " " and resid "108 " and name "HG2 ")) (( segid " " and resid "110 " and name "HN ")) ASSI { 1486} (( segid " " and resid "28 " and name "HA ")) (( segid " " and resid "29 " and name "HN ")) 2.800 2.200 2.200 peak 1486 volume 0.101E+05 ppm1 3.983 ppm2 7.534 OR { 1486} (( segid " " and resid "25 " and name "HA ")) (( segid " " and resid "29 " and name "HN ")) OR { 1486} (( segid " " and resid "32 " and name "HB2 ")) (( segid " " and resid "29 " and name "HN ")) ASSI { 1488} (( segid " " and resid "29 " and name "HB1 ")) (( segid " " and resid "29 " and name "HN ")) 2.200 1.100 1.100 peak 1488 volume 0.365E+05 ppm1 1.803 ppm2 7.531 OR { 1488} (( segid " " and resid "28 " and name "HB1 ")) (( segid " " and resid "29 " and name "HN ")) ASSI { 1495} (( segid " " and resid "28 " and name "HD21") OR ( segid " " and resid "28 " and name "HD23") OR ( segid " " and resid "28 " and name "HD22")) (( segid " " and resid "29 " and name "HN ")) 2.700 2.000 2.000 peak 1495 volume 0.110E+05 ppm1 0.913 ppm2 7.531 ASSI { 1513} (( segid " " and resid "32 " and name "HB2 ")) (( segid " " and resid "32 " and name "HN ")) 2.300 1.200 1.200 peak 1513 volume 0.290E+05 ppm1 4.006 ppm2 7.514 OR { 1513} (( segid " " and resid "31 " and name "HB2 ")) (( segid " " and resid "32 " and name "HN ")) ASSI { 1522} (( segid " " and resid "32 " and name "HA ")) (( segid " " and resid "32 " and name "HN ")) 2.400 1.400 1.400 peak 1522 volume 0.269E+05 ppm1 4.428 ppm2 7.514 OR { 1522} (( segid " " and resid "31 " and name "HA ")) (( segid " " and resid "32 " and name "HN ")) ASSI { 1124} (( segid " " and resid "43 " and name "HB1 ")) (( segid " " and resid "44 " and name "HA ")) 2.500 1.600 1.600 peak 1124 volume 0.152E+04 ppm1 2.221 ppm2 4.637 OR { 1124} (( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "44 " and name "HA ")) ASSI { 2746} (( segid " " and resid "55 " and name "HB2 ")) (( segid " " and resid "56 " and name "HA ")) 2.600 1.800 1.800 peak 2746 volume 0.119E+04 ppm1 2.446 ppm2 4.588 OR { 2746} (( segid " " and resid "60 " and name "HB2 ")) (( segid " " and resid "56 " and name "HA ")) ASSI { 3698} (( segid " " and resid "46 " and name "HG1 ")) (( segid " " and resid "49 " and name "HB2 ")) 2.500 1.600 1.600 peak 3698 volume 0.132E+04 ppm1 1.845 ppm2 3.107 OR { 3698} (( segid " " and resid "46 " and name "HG2 ")) (( segid " " and resid "49 " and name "HB2 ")) OR { 3698} (( segid " " and resid "50 " and name "HG1 ")) (( segid " " and resid "49 " and name "HB2 ")) ASSI { 4020} (( segid " " and resid "37 " and name "HD2 ")) (( segid " " and resid "39 " and name "HB1 ")) 2.000 0.800 0.800 peak 4020 volume 0.543E+04 ppm1 3.048 ppm2 1.798 ASSI { 4112} (( segid " " and resid "56 " and name "HA ")) (( segid " " and resid "57 " and name "HB1 ") OR ( segid " " and resid "57 " and name "HB3 ") OR ( segid " " and resid "57 " and name "HB2 ")) 2.600 1.800 1.800 peak 4112 volume 0.123E+04 ppm1 4.637 ppm2 1.664 OR { 4112} (( segid " " and resid "56 " and name "HA ")) (( segid " " and resid "58 " and name "HB1 ") OR ( segid " " and resid "58 " and name "HB3 ") OR ( segid " " and resid "58 " and name "HB2 ")) ASSI { 4385} (( segid " " and resid "93 " and name "HA ")) (( segid " " and resid "92 " and name "HG21") OR ( segid " " and resid "92 " and name "HG23") OR ( segid " " and resid "92 " and name "HG22")) 2.600 1.800 1.800 peak 4385 volume 0.101E+04 ppm1 4.519 ppm2 1.174 ASSI { 4499} (( segid " " and resid "79 " and name "HA ")) (( segid " " and resid "79 " and name "HG21") OR ( segid " " and resid "79 " and name "HG23") OR ( segid " " and resid "79 " and name "HG22")) 2.600 1.800 1.800 peak 4499 volume 0.108E+04 ppm1 4.337 ppm2 0.991 OR { 4499} (( segid " " and resid "59 " and name "HA ")) (( segid " " and resid "62 " and name "HB1 ") OR ( segid " " and resid "62 " and name "HB3 ") OR ( segid " " and resid "62 " and name "HB2 ")) ASSI { 4609} (( segid " " and resid "31 " and name "HA ")) (( segid " " and resid "30 " and name "HG11") OR ( segid " " and resid "30 " and name "HG13") OR ( segid " " and resid "30 " and name "HG12")) 2.600 1.800 1.800 peak 4609 volume 0.121E+04 ppm1 4.476 ppm2 0.942 OR { 4609} (( segid " " and resid "69 " and name "HB ")) (( segid " " and resid "66 " and name "HG11") OR ( segid " " and resid "66 " and name "HG13") OR ( segid " " and resid "66 " and name "HG12")) ASSI { 4629} (( segid " " and resid "3 " and name "HA ")) (( segid " " and resid "3 " and name "HD21") OR ( segid " " and resid "3 " and name "HD23") OR ( segid " " and resid "3 " and name "HD22")) 2.100 0.900 0.900 peak 4629 volume 0.455E+04 ppm1 4.390 ppm2 0.917 OR { 4629} (( segid " " and resid "52 " and name "HA ")) (( segid " " and resid "52 " and name "HD21") OR ( segid " " and resid "52 " and name "HD23") OR ( segid " " and resid "52 " and name "HD22")) OR { 4629} (( segid " " and resid "52 " and name "HA ")) (( segid " " and resid "52 " and name "HD11") OR ( segid " " and resid "52 " and name "HD13") OR ( segid " " and resid "52 " and name "HD12")) ASSI { 4651} (( segid " " and resid "52 " and name "HA ")) (( segid " " and resid "52 " and name "HD21") OR ( segid " " and resid "52 " and name "HD23") OR ( segid " " and resid "52 " and name "HD22")) 2.200 1.100 1.100 peak 4651 volume 0.336E+04 ppm1 4.261 ppm2 0.905 OR { 4651} (( segid " " and resid "52 " and name "HA ")) (( segid " " and resid "52 " and name "HD11") OR ( segid " " and resid "52 " and name "HD13") OR ( segid " " and resid "52 " and name "HD12")) ASSI { 4653} (( segid " " and resid "101 " and name "HA ")) (( segid " " and resid "101 " and name "HD11") OR ( segid " " and resid "101 " and name "HD13") OR ( segid " " and resid "101 " and name "HD12")) 2.200 1.100 1.100 peak 4653 volume 0.296E+04 ppm1 4.208 ppm2 0.905 OR { 4653} (( segid " " and resid "101 " and name "HA ")) (( segid " " and resid "101 " and name "HD21") OR ( segid " " and resid "101 " and name "HD23") OR ( segid " " and resid "101 " and name "HD22")) OR { 4653} (( segid " " and resid "45 " and name "HA ")) (( segid " " and resid "45 " and name "HD21") OR ( segid " " and resid "45 " and name "HD23") OR ( segid " " and resid "45 " and name "HD22")) ASSI { 4670} (( segid " " and resid "45 " and name "HB1 ")) (( segid " " and resid "45 " and name "HD21") OR ( segid " " and resid "45 " and name "HD23") OR ( segid " " and resid "45 " and name "HD22")) 2.500 1.600 1.600 peak 4670 volume 0.151E+04 ppm1 1.952 ppm2 0.905 OR { 4670} (( segid " " and resid "52 " and name "HB1 ")) (( segid " " and resid "52 " and name "HD11") OR ( segid " " and resid "52 " and name "HD13") OR ( segid " " and resid "52 " and name "HD12")) OR { 4670} (( segid " " and resid "101 " and name "HB1 ")) (( segid " " and resid "101 " and name "HD11") OR ( segid " " and resid "101 " and name "HD13") OR ( segid " " and resid "101 " and name "HD12")) OR { 4670} (( segid " " and resid "101 " and name "HB1 ")) (( segid " " and resid "101 " and name "HD21") OR ( segid " " and resid "101 " and name "HD23") OR ( segid " " and resid "101 " and name "HD22")) OR { 4670} (( segid " " and resid "52 " and name "HB1 ")) (( segid " " and resid "52 " and name "HD21") OR ( segid " " and resid "52 " and name "HD23") OR ( segid " " and resid "52 " and name "HD22")) ASSI { 4673} (( segid " " and resid "52 " and name "HB1 ")) (( segid " " and resid "52 " and name "HD11") OR ( segid " " and resid "52 " and name "HD13") OR ( segid " " and resid "52 " and name "HD12")) 2.500 1.600 1.600 peak 4673 volume 0.139E+04 ppm1 1.984 ppm2 0.905 OR { 4673} (( segid " " and resid "101 " and name "HB1 ")) (( segid " " and resid "101 " and name "HD11") OR ( segid " " and resid "101 " and name "HD13") OR ( segid " " and resid "101 " and name "HD12")) OR { 4673} (( segid " " and resid "101 " and name "HB1 ")) (( segid " " and resid "101 " and name "HD21") OR ( segid " " and resid "101 " and name "HD23") OR ( segid " " and resid "101 " and name "HD22")) OR { 4673} (( segid " " and resid "52 " and name "HB1 ")) (( segid " " and resid "52 " and name "HD21") OR ( segid " " and resid "52 " and name "HD23") OR ( segid " " and resid "52 " and name "HD22")) ASSI { 4677} (( segid " " and resid "42 " and name "HA ")) (( segid " " and resid "45 " and name "HD21") OR ( segid " " and resid "45 " and name "HD23") OR ( segid " " and resid "45 " and name "HD22")) 2.300 1.200 1.200 peak 4677 volume 0.230E+04 ppm1 3.993 ppm2 0.905 OR { 4677} (( segid " " and resid "98 " and name "HA ")) (( segid " " and resid "101 " and name "HD21") OR ( segid " " and resid "101 " and name "HD23") OR ( segid " " and resid "101 " and name "HD22")) OR { 4677} (( segid " " and resid "98 " and name "HA ")) (( segid " " and resid "101 " and name "HD11") OR ( segid " " and resid "101 " and name "HD13") OR ( segid " " and resid "101 " and name "HD12")) ASSI { 4681} (( segid " " and resid "45 " and name "HA ")) (( segid " " and resid "45 " and name "HD21") OR ( segid " " and resid "45 " and name "HD23") OR ( segid " " and resid "45 " and name "HD22")) 2.300 1.200 1.200 peak 4681 volume 0.236E+04 ppm1 4.047 ppm2 0.905 OR { 4681} (( segid " " and resid "42 " and name "HA ")) (( segid " " and resid "45 " and name "HD21") OR ( segid " " and resid "45 " and name "HD23") OR ( segid " " and resid "45 " and name "HD22")) OR { 4681} (( segid " " and resid "98 " and name "HA ")) (( segid " " and resid "101 " and name "HD11") OR ( segid " " and resid "101 " and name "HD13") OR ( segid " " and resid "101 " and name "HD12")) ASSI { 4684} (( segid " " and resid "49 " and name "HA ")) (( segid " " and resid "52 " and name "HD21") OR ( segid " " and resid "52 " and name "HD23") OR ( segid " " and resid "52 " and name "HD22")) 2.100 0.900 0.900 peak 4684 volume 0.437E+04 ppm1 4.519 ppm2 0.905 OR { 4684} (( segid " " and resid "49 " and name "HA ")) (( segid " " and resid "52 " and name "HD11") OR ( segid " " and resid "52 " and name "HD13") OR ( segid " " and resid "52 " and name "HD12")) ASSI { 4689} (( segid " " and resid "3 " and name "HA ")) (( segid " " and resid "3 " and name "HD21") OR ( segid " " and resid "3 " and name "HD23") OR ( segid " " and resid "3 " and name "HD22")) 2.100 0.900 0.900 peak 4689 volume 0.383E+04 ppm1 4.444 ppm2 0.905 OR { 4689} (( segid " " and resid "49 " and name "HA ")) (( segid " " and resid "52 " and name "HD21") OR ( segid " " and resid "52 " and name "HD23") OR ( segid " " and resid "52 " and name "HD22")) ASSI { 4690} (( segid " " and resid "42 " and name "HA ")) (( segid " " and resid "45 " and name "HD21") OR ( segid " " and resid "45 " and name "HD23") OR ( segid " " and resid "45 " and name "HD22")) 2.600 1.800 1.800 peak 4690 volume 0.101E+04 ppm1 3.939 ppm2 0.905 OR { 4690} (( segid " " and resid "98 " and name "HA ")) (( segid " " and resid "101 " and name "HD11") OR ( segid " " and resid "101 " and name "HD13") OR ( segid " " and resid "101 " and name "HD12")) ASSI { 4900} (( segid " " and resid "9 " and name "HG ")) (( segid " " and resid "73 " and name "HD21") OR ( segid " " and resid "73 " and name "HD23") OR ( segid " " and resid "73 " and name "HD22")) 2.600 1.800 1.800 peak 4900 volume 0.100E+04 ppm1 1.566 ppm2 0.269
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