NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
8254 | 1lv9 | 5383 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
! Distance restraints: ASSI { 0} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "9 " and name "HA ")) 2.900 1.100 1.300 peak 0 weight 0.10000E+01 volume 0.23353E+02 ppm1 10.470 ppm2 4.723 ASSI { 4} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "10 " and name "HA ")) 5.000 3.100 0.500 peak 4 weight 0.10000E+01 volume -0.84500E+00 ppm1 10.471 ppm2 4.245 ASSI { 5} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "10 " and name "HB ")) 4.600 2.600 0.900 peak 5 weight 0.10000E+01 volume 0.16181E+01 ppm1 10.470 ppm2 4.143 ASSI { 6} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "9 " and name "HB2 ")) 4.500 2.500 1.000 peak 6 weight 0.10000E+01 volume 0.17162E+01 ppm1 10.472 ppm2 3.803 ASSI { 8} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "36 " and name "HB1 ")) 5.000 3.100 0.500 peak 8 weight 0.10000E+01 volume -0.20000E-02 ppm1 10.467 ppm2 2.878 ASSI { 9} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "9 " and name "HB1 ")) 4.400 2.400 1.100 peak 9 weight 0.10000E+01 volume 0.20382E+01 ppm1 10.473 ppm2 2.693 ASSI { 10} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "10 " and name "HG21") OR ( segid " " and resid "10 " and name "HG23") OR ( segid " " and resid "10 " and name "HG22")) 5.300 3.500 0.200 peak 10 weight 0.10000E+01 volume 0.67270E+00 ppm1 10.470 ppm2 1.178 ASSI { 12} (( segid " " and resid "43 " and name "HN ")) (( segid " " and resid "51 " and name "HA ")) 5.000 3.100 0.500 peak 12 weight 0.10000E+01 volume -0.20500E+00 ppm1 9.496 ppm2 5.343 ASSI { 14} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "27 " and name "HA ")) 5.000 3.100 0.500 peak 14 weight 0.10000E+01 volume -0.16100E+00 ppm1 9.205 ppm2 5.399 ASSI { 17} (( segid " " and resid "53 " and name "HN ")) (( segid " " and resid "53 " and name "HA ")) 5.500 3.800 0.000 peak 17 weight 0.10000E+01 volume 0.36080E+00 ppm1 9.082 ppm2 5.800 ASSI { 19} (( segid " " and resid "44 " and name "HN ")) (( segid " " and resid "27 " and name "HA ")) 5.000 3.100 0.500 peak 19 weight 0.10000E+01 volume -0.21400E+00 ppm1 8.555 ppm2 5.400 ASSI { 20} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "27 " and name "HA ")) 4.400 2.400 1.100 peak 20 weight 0.10000E+01 volume 0.21350E+01 ppm1 8.486 ppm2 5.400 ASSI { 21} (( segid " " and resid "51 " and name "HN ")) (( segid " " and resid "51 " and name "HA ")) 5.100 3.300 0.400 peak 21 weight 0.10000E+01 volume 0.85560E+00 ppm1 8.487 ppm2 5.347 ASSI { 22} (( segid " " and resid "44 " and name "HN ")) (( segid " " and resid "51 " and name "HA ")) 5.500 3.800 0.000 peak 22 weight 0.10000E+01 volume 0.22450E+00 ppm1 8.565 ppm2 5.344 ASSI { 23} (( segid " " and resid "8 " and name "HN ")) (( segid " " and resid "36 " and name "HA ")) 5.000 3.100 0.500 peak 23 weight 0.10000E+01 volume -0.10800E+00 ppm1 8.590 ppm2 5.132 ASSI { 24} (( segid " " and resid "44 " and name "HN ")) (( segid " " and resid "26 " and name "HA ")) 5.500 3.800 0.000 peak 24 weight 0.10000E+01 volume 0.19610E+00 ppm1 8.555 ppm2 5.123 ASSI { 25} (( segid " " and resid "43 " and name "HN ")) (( segid " " and resid "43 " and name "HA ")) 5.000 3.100 0.500 peak 25 weight 0.10000E+01 volume -0.91000E-01 ppm1 9.499 ppm2 5.025 ASSI { 26} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "41 " and name "HA ")) 5.500 3.800 0.000 peak 26 weight 0.10000E+01 volume 0.25800E+00 ppm1 9.642 ppm2 4.848 ASSI { 27} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "29 " and name "HA ")) 5.200 3.400 0.300 peak 27 weight 0.10000E+01 volume 0.75430E+00 ppm1 9.643 ppm2 4.677 ASSI { 28} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "45 " and name "HA ")) 5.500 3.800 0.000 peak 28 weight 0.10000E+01 volume 0.27510E+00 ppm1 9.398 ppm2 4.921 ASSI { 29} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "45 " and name "HA ")) 5.500 3.800 0.000 peak 29 weight 0.10000E+01 volume 0.34700E+00 ppm1 9.276 ppm2 4.920 ASSI { 30} (( segid " " and resid "52 " and name "HN ")) (( segid " " and resid "43 " and name "HA ")) 5.000 3.100 0.500 peak 30 weight 0.10000E+01 volume -0.16000E-01 ppm1 9.074 ppm2 5.026 ASSI { 31} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "16 " and name "HA ")) 5.500 3.800 0.000 peak 31 weight 0.10000E+01 volume 0.25520E+00 ppm1 8.967 ppm2 4.968 ASSI { 33} (( segid " " and resid "54 " and name "HN ")) (( segid " " and resid "54 " and name "HA ")) 5.000 3.100 0.500 peak 33 weight 0.10000E+01 volume -0.36800E+00 ppm1 8.892 ppm2 5.004 ASSI { 35} (( segid " " and resid "15 " and name "HN ")) (( segid " " and resid "54 " and name "HA ")) 4.700 2.800 0.800 peak 35 weight 0.10000E+01 volume 0.13569E+01 ppm1 8.702 ppm2 5.004 ASSI { 37} (( segid " " and resid "55 " and name "HN ")) (( segid " " and resid "54 " and name "HA ")) 5.200 3.400 0.300 peak 37 weight 0.10000E+01 volume 0.79160E+00 ppm1 8.479 ppm2 5.005 ASSI { 38} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "45 " and name "HA ")) 4.400 2.400 1.100 peak 38 weight 0.10000E+01 volume 0.21726E+01 ppm1 8.228 ppm2 4.921 ASSI { 39} (( segid " " and resid "47 " and name "HN ")) (( segid " " and resid "45 " and name "HA ")) 5.100 3.300 0.400 peak 39 weight 0.10000E+01 volume 0.81440E+00 ppm1 8.159 ppm2 4.923 ASSI { 40} (( segid " " and resid "43 " and name "HN ")) (( segid " " and resid "42 " and name "HA ")) 4.300 2.300 1.200 peak 40 weight 0.10000E+01 volume 0.22231E+01 ppm1 9.501 ppm2 4.578 ASSI { 42} (( segid " " and resid "11 " and name "HN ")) (( segid " " and resid "11 " and name "HA ")) 5.500 3.800 0.000 peak 42 weight 0.10000E+01 volume 0.12320E+00 ppm1 9.361 ppm2 4.569 ASSI { 43} (( segid " " and resid "11 " and name "HN ")) (( segid " " and resid "9 " and name "HA ")) 5.500 3.800 0.000 peak 43 weight 0.10000E+01 volume 0.33440E+00 ppm1 9.359 ppm2 4.725 ASSI { 46} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "40 " and name "HA ")) 5.500 3.800 0.000 peak 46 weight 0.10000E+01 volume 0.44930E+00 ppm1 9.306 ppm2 4.777 ASSI { 47} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "41 " and name "HA ")) 4.600 2.600 0.900 peak 47 weight 0.10000E+01 volume 0.15860E+01 ppm1 9.304 ppm2 4.845 ASSI { 48} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "44 " and name "HA ")) 4.100 2.100 1.400 peak 48 weight 0.10000E+01 volume 0.29629E+01 ppm1 9.276 ppm2 4.810 ASSI { 49} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "41 " and name "HA ")) 4.500 2.500 1.000 peak 49 weight 0.10000E+01 volume 0.18620E+01 ppm1 9.208 ppm2 4.847 ASSI { 50} (( segid " " and resid "52 " and name "HN ")) (( segid " " and resid "44 " and name "HA ")) 5.000 3.100 0.500 peak 50 weight 0.10000E+01 volume 0.91090E+00 ppm1 9.071 ppm2 4.811 ASSI { 53} (( segid " " and resid "54 " and name "HN ")) (( segid " " and resid "42 " and name "HA ")) 5.500 3.800 0.000 peak 53 weight 0.10000E+01 volume 0.10260E+00 ppm1 8.898 ppm2 4.575 ASSI { 54} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "15 " and name "HA ")) 5.000 3.100 0.500 peak 54 weight 0.10000E+01 volume -0.24800E+00 ppm1 8.967 ppm2 4.634 ASSI { 56} (( segid " " and resid "53 " and name "HN ")) (( segid " " and resid "52 " and name "HA ")) 5.000 3.100 0.500 peak 56 weight 0.10000E+01 volume 0.95990E+00 ppm1 9.085 ppm2 4.641 ASSI { 57} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "29 " and name "HA ")) 5.500 3.800 0.000 peak 57 weight 0.10000E+01 volume 0.48720E+00 ppm1 9.207 ppm2 4.677 ASSI { 58} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "42 " and name "HA ")) 5.000 3.100 0.500 peak 58 weight 0.10000E+01 volume -0.53800E+00 ppm1 9.201 ppm2 4.579 ASSI { 60} (( segid " " and resid "59 " and name "HN ")) (( segid " " and resid "58 " and name "HA ")) 5.500 3.800 0.000 peak 60 weight 0.10000E+01 volume 0.43180E+00 ppm1 9.123 ppm2 4.496 ASSI { 61} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "24 " and name "HA ")) 4.200 2.200 1.300 peak 61 weight 0.10000E+01 volume 0.26562E+01 ppm1 9.400 ppm2 4.419 ASSI { 62} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "24 " and name "HA ")) 5.500 3.800 0.000 peak 62 weight 0.10000E+01 volume 0.25920E+00 ppm1 9.273 ppm2 4.418 ASSI { 64} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "39 " and name "HA ")) 5.500 3.800 0.000 peak 64 weight 0.10000E+01 volume 0.24000E-02 ppm1 9.643 ppm2 4.226 ASSI { 65} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "31 " and name "HD1 ")) 5.500 3.800 0.000 peak 65 weight 0.10000E+01 volume 0.75900E-01 ppm1 9.646 ppm2 4.041 ASSI { 66} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "31 " and name "HD2 ")) 5.000 3.100 0.500 peak 66 weight 0.10000E+01 volume -0.38000E-01 ppm1 9.645 ppm2 3.818 ASSI { 67} (( segid " " and resid "11 " and name "HN ")) (( segid " " and resid "10 " and name "HA ")) 5.400 3.600 0.100 peak 67 weight 0.10000E+01 volume 0.57230E+00 ppm1 9.360 ppm2 4.244 ASSI { 68} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "50 " and name "HA ")) 5.000 3.100 0.500 peak 68 weight 0.10000E+01 volume -0.50000E-02 ppm1 9.274 ppm2 4.176 ASSI { 69} (( segid " " and resid "11 " and name "HN ")) (( segid " " and resid "10 " and name "HB ")) 5.000 3.100 0.500 peak 69 weight 0.10000E+01 volume -0.70300E+00 ppm1 9.361 ppm2 4.144 ASSI { 70} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "46 " and name "HA ")) 5.500 3.800 0.000 peak 70 weight 0.10000E+01 volume 0.15740E+00 ppm1 9.394 ppm2 4.026 ASSI { 72} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "44 " and name "HB ")) 5.000 3.100 0.500 peak 72 weight 0.10000E+01 volume -0.54800E+00 ppm1 9.391 ppm2 3.948 ASSI { 73} (( segid " " and resid "11 " and name "HN ")) (( segid " " and resid "9 " and name "HB2 ")) 5.500 3.800 0.000 peak 73 weight 0.10000E+01 volume 0.54080E+00 ppm1 9.360 ppm2 3.801 ASSI { 74} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "44 " and name "HB ")) 5.000 3.100 0.500 peak 74 weight 0.10000E+01 volume -0.10000E-01 ppm1 9.274 ppm2 3.949 ASSI { 75} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "49 " and name "HA2 ")) 5.500 3.800 0.000 peak 75 weight 0.10000E+01 volume 0.61000E-02 ppm1 9.272 ppm2 3.923 OR { 75} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "49 " and name "HA1 ")) ASSI { 76} (( segid " " and resid "59 " and name "HN ")) (( segid " " and resid "59 " and name "HA ")) 5.000 3.100 0.500 peak 76 weight 0.10000E+01 volume -0.51000E-01 ppm1 9.123 ppm2 3.912 ASSI { 77} (( segid " " and resid "59 " and name "HN ")) (( segid " " and resid "58 " and name "HB2 ")) 5.000 3.100 0.500 peak 77 weight 0.10000E+01 volume -0.17700E+00 ppm1 9.123 ppm2 4.034 ASSI { 78} (( segid " " and resid "59 " and name "HN ")) (( segid " " and resid "58 " and name "HB1 ")) 5.300 3.500 0.200 peak 78 weight 0.10000E+01 volume 0.68110E+00 ppm1 9.123 ppm2 4.139 ASSI { 79} (( segid " " and resid "59 " and name "HN ")) (( segid " " and resid "60 " and name "HA ")) 5.000 3.100 0.500 peak 79 weight 0.10000E+01 volume -0.18100E+00 ppm1 9.121 ppm2 4.204 ASSI { 80} (( segid " " and resid "53 " and name "HN ")) (( segid " " and resid "53 " and name "HB2 ")) 4.800 2.900 0.700 peak 80 weight 0.10000E+01 volume 0.11906E+01 ppm1 9.087 ppm2 4.198 ASSI { 81} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "15 " and name "HB2 ")) 5.300 3.500 0.200 peak 81 weight 0.10000E+01 volume 0.65170E+00 ppm1 8.967 ppm2 3.992 ASSI { 86} (( segid " " and resid "53 " and name "HN ")) (( segid " " and resid "53 " and name "HB1 ")) 5.000 3.100 0.500 peak 86 weight 0.10000E+01 volume -0.53000E+00 ppm1 9.085 ppm2 3.275 ASSI { 87} (( segid " " and resid "54 " and name "HN ")) (( segid " " and resid "53 " and name "HB1 ")) 4.900 3.000 0.600 peak 87 weight 0.10000E+01 volume 0.10138E+01 ppm1 8.896 ppm2 3.279 ASSI { 89} (( segid " " and resid "33 " and name "HN ")) (( segid " " and resid "36 " and name "HB2 ")) 5.000 3.100 0.500 peak 89 weight 0.10000E+01 volume -0.35000E-01 ppm1 8.854 ppm2 3.305 ASSI { 92} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "16 " and name "HB1 ")) 5.500 3.800 0.000 peak 92 weight 0.10000E+01 volume 0.23170E+00 ppm1 8.967 ppm2 2.786 ASSI { 93} (( segid " " and resid "33 " and name "HN ")) (( segid " " and resid "36 " and name "HB1 ")) 5.500 3.800 0.000 peak 93 weight 0.10000E+01 volume 0.81700E-01 ppm1 8.859 ppm2 2.879 ASSI { 94} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "17 " and name "HG2 ")) 4.700 2.800 0.800 peak 94 weight 0.10000E+01 volume 0.14257E+01 ppm1 8.965 ppm2 2.428 OR { 94} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "17 " and name "HG1 ")) ASSI { 95} (( segid " " and resid "52 " and name "HN ")) (( segid " " and resid "45 " and name "HG1 ")) 5.000 3.100 0.500 peak 95 weight 0.10000E+01 volume -0.19000E-01 ppm1 9.075 ppm2 2.499 OR { 95} (( segid " " and resid "52 " and name "HN ")) (( segid " " and resid "45 " and name "HG2 ")) ASSI { 97} (( segid " " and resid "11 " and name "HN ")) (( segid " " and resid "9 " and name "HB1 ")) 5.500 3.800 0.000 peak 97 weight 0.10000E+01 volume 0.26870E+00 ppm1 9.360 ppm2 2.693 ASSI { 99} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "40 " and name "HG1 ")) 5.500 3.800 0.000 peak 99 weight 0.10000E+01 volume 0.27670E+00 ppm1 9.305 ppm2 2.553 OR { 99} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "40 " and name "HG2 ")) ASSI { 103} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "40 " and name "HB1 ")) 5.000 3.100 0.500 peak 103 weight 0.10000E+01 volume -0.62000E-01 ppm1 9.641 ppm2 2.057 ASSI { 104} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "25 " and name "HG2 ")) 5.000 3.100 0.500 peak 104 weight 0.10000E+01 volume -0.18900E+00 ppm1 9.400 ppm2 2.189 OR { 104} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "25 " and name "HG1 ")) ASSI { 105} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "45 " and name "HB2 ")) 5.000 3.100 0.500 peak 105 weight 0.10000E+01 volume -0.60000E-02 ppm1 9.276 ppm2 2.162 ASSI { 108} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "28 " and name "HB1 ")) 5.500 3.800 0.000 peak 108 weight 0.10000E+01 volume 0.25090E+00 ppm1 9.201 ppm2 1.962 ASSI { 110} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "42 " and name "HB ")) 5.500 3.800 0.000 peak 110 weight 0.10000E+01 volume 0.40500E+00 ppm1 9.207 ppm2 1.820 ASSI { 112} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "50 " and name "HB2 ")) 5.000 3.100 0.500 peak 112 weight 0.10000E+01 volume -0.19000E-01 ppm1 9.273 ppm2 1.920 OR { 112} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "50 " and name "HB1 ")) ASSI { 113} (( segid " " and resid "43 " and name "HN ")) (( segid " " and resid "42 " and name "HB ")) 5.000 3.100 0.500 peak 113 weight 0.10000E+01 volume -0.37100E+00 ppm1 9.494 ppm2 1.823 ASSI { 114} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "40 " and name "HB2 ")) 5.000 3.100 0.500 peak 114 weight 0.10000E+01 volume -0.48000E-01 ppm1 9.642 ppm2 1.897 ASSI { 115} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "29 " and name "HB ")) 5.000 3.100 0.500 peak 115 weight 0.10000E+01 volume -0.18500E+00 ppm1 9.637 ppm2 1.749 ASSI { 120} (( segid " " and resid "43 " and name "HN ")) (( segid " " and resid "54 " and name "HG ")) 5.000 3.100 0.500 peak 120 weight 0.10000E+01 volume -0.44100E+00 ppm1 9.501 ppm2 1.648 ASSI { 121} (( segid " " and resid "43 " and name "HN ")) (( segid " " and resid "52 " and name "HB2 ")) 5.000 3.100 0.500 peak 121 weight 0.10000E+01 volume -0.57900E+00 ppm1 9.498 ppm2 1.728 ASSI { 125} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "25 " and name "HB1 ")) 5.000 3.100 0.500 peak 125 weight 0.10000E+01 volume -0.24000E+00 ppm1 9.274 ppm2 1.712 OR { 125} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "25 " and name "HB2 ")) ASSI { 128} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "30 " and name "HG12")) 5.500 3.800 0.000 peak 128 weight 0.10000E+01 volume 0.35470E+00 ppm1 9.207 ppm2 1.448 ASSI { 130} (( segid " " and resid "59 " and name "HN ")) (( segid " " and resid "60 " and name "HB1 ") OR ( segid " " and resid "60 " and name "HB3 ") OR ( segid " " and resid "60 " and name "HB2 ")) 5.000 3.100 0.500 peak 130 weight 0.10000E+01 volume -0.26300E+00 ppm1 9.123 ppm2 1.439 ASSI { 137} (( segid " " and resid "59 " and name "HN ")) (( segid " " and resid "59 " and name "HB2 ")) 5.000 3.100 0.500 peak 137 weight 0.10000E+01 volume -0.47100E+00 ppm1 9.123 ppm2 1.919 ASSI { 142} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "30 " and name "HG21") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG22")) 5.000 3.100 0.500 peak 142 weight 0.10000E+01 volume -0.20200E+00 ppm1 9.636 ppm2 1.078 ASSI { 143} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "29 " and name "HG12")) 5.000 3.100 0.500 peak 143 weight 0.10000E+01 volume -0.55000E-01 ppm1 9.645 ppm2 0.948 OR { 143} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "29 " and name "HG11")) ASSI { 144} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) 5.000 3.100 0.500 peak 144 weight 0.10000E+01 volume -0.67800E+00 ppm1 9.643 ppm2 0.828 ASSI { 147} (( segid " " and resid "43 " and name "HN ")) (( segid " " and resid "42 " and name "HG11")) 5.000 3.100 0.500 peak 147 weight 0.10000E+01 volume -0.94400E+00 ppm1 9.498 ppm2 1.098 OR { 147} (( segid " " and resid "43 " and name "HN ")) (( segid " " and resid "42 " and name "HG12")) ASSI { 148} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "27 " and name "HB1 ")) 5.000 3.100 0.500 peak 148 weight 0.10000E+01 volume 0.89990E+00 ppm1 9.400 ppm2 1.228 ASSI { 149} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) 5.000 3.100 0.500 peak 149 weight 0.10000E+01 volume -0.82900E+00 ppm1 9.393 ppm2 1.156 ASSI { 150} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) 5.000 3.100 0.500 peak 150 weight 0.10000E+01 volume -0.13500E+01 ppm1 9.397 ppm2 0.840 ASSI { 153} (( segid " " and resid "11 " and name "HN ")) (( segid " " and resid "10 " and name "HG21") OR ( segid " " and resid "10 " and name "HG23") OR ( segid " " and resid "10 " and name "HG22")) 5.000 3.100 0.500 peak 153 weight 0.10000E+01 volume -0.56300E+00 ppm1 9.360 ppm2 1.178 ASSI { 156} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) 5.000 3.100 0.500 peak 156 weight 0.10000E+01 volume -0.53400E+00 ppm1 9.301 ppm2 0.827 OR { 156} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) ASSI { 158} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) 5.000 3.100 0.500 peak 158 weight 0.10000E+01 volume -0.98800E+00 ppm1 9.303 ppm2 0.717 ASSI { 159} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) 5.000 3.100 0.500 peak 159 weight 0.10000E+01 volume -0.40300E+00 ppm1 9.208 ppm2 0.718 ASSI { 161} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) 5.000 3.100 0.500 peak 161 weight 0.10000E+01 volume -0.69200E+00 ppm1 9.201 ppm2 0.831 OR { 161} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) ASSI { 162} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "41 " and name "HG11")) 5.000 3.100 0.500 peak 162 weight 0.10000E+01 volume -0.77600E+00 ppm1 9.209 ppm2 1.051 OR { 162} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "41 " and name "HG12")) ASSI { 163} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "42 " and name "HG11")) 5.500 3.800 0.000 peak 163 weight 0.10000E+01 volume 0.25180E+00 ppm1 9.207 ppm2 1.100 OR { 163} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "42 " and name "HG12")) ASSI { 164} (( segid " " and resid "52 " and name "HN ")) (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) 5.500 3.800 0.000 peak 164 weight 0.10000E+01 volume 0.35280E+00 ppm1 9.071 ppm2 1.289 ASSI { 167} (( segid " " and resid "54 " and name "HN ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) 5.000 3.100 0.500 peak 167 weight 0.10000E+01 volume -0.56290E+01 ppm1 8.895 ppm2 0.767 OR { 167} (( segid " " and resid "54 " and name "HN ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) ASSI { 168} (( segid " " and resid "54 " and name "HN ")) (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) 5.000 3.100 0.500 peak 168 weight 0.10000E+01 volume -0.18990E+01 ppm1 8.897 ppm2 0.724 ASSI { 171} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "12 " and name "HG21") OR ( segid " " and resid "12 " and name "HG23") OR ( segid " " and resid "12 " and name "HG22")) 5.000 3.100 0.500 peak 171 weight 0.10000E+01 volume -0.14150E+01 ppm1 8.680 ppm2 0.942 ASSI { 172} (( segid " " and resid "34 " and name "HN ")) (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) 5.000 3.100 0.500 peak 172 weight 0.10000E+01 volume -0.60500E+00 ppm1 8.828 ppm2 1.170 ASSI { 173} (( segid " " and resid "33 " and name "HN ")) (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) 5.000 3.100 0.500 peak 173 weight 0.10000E+01 volume -0.92300E+00 ppm1 8.856 ppm2 1.168 ASSI { 174} (( segid " " and resid "54 " and name "HN ")) (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) 5.000 3.100 0.500 peak 174 weight 0.10000E+01 volume -0.84000E-01 ppm1 8.901 ppm2 1.292 ASSI { 175} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "12 " and name "HG12")) 5.500 3.800 0.000 peak 175 weight 0.10000E+01 volume 0.25080E+00 ppm1 8.680 ppm2 1.248 OR { 175} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "12 " and name "HG11")) ASSI { 177} (( segid " " and resid "44 " and name "HN ")) (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) 5.000 3.100 0.500 peak 177 weight 0.10000E+01 volume -0.17240E+01 ppm1 8.555 ppm2 0.839 OR { 177} (( segid " " and resid "44 " and name "HN ")) (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) ASSI { 179} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "29 " and name "HD11") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD12")) 5.000 3.100 0.500 peak 179 weight 0.10000E+01 volume -0.36900E+00 ppm1 8.453 ppm2 0.733 ASSI { 181} (( segid " " and resid "40 " and name "HN ")) (( segid " " and resid "29 " and name "HD11") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD12")) 5.000 3.100 0.500 peak 181 weight 0.10000E+01 volume -0.23200E+01 ppm1 8.415 ppm2 0.735 ASSI { 184} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "29 " and name "HG21") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG22")) 5.000 3.100 0.500 peak 184 weight 0.10000E+01 volume -0.12620E+01 ppm1 8.454 ppm2 0.861 ASSI { 186} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "29 " and name "HG12")) 5.000 3.100 0.500 peak 186 weight 0.10000E+01 volume -0.12350E+01 ppm1 8.457 ppm2 0.952 ASSI { 191} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "68 " and name "HG21") OR ( segid " " and resid "68 " and name "HG23") OR ( segid " " and resid "68 " and name "HG22")) 5.000 3.100 0.500 peak 191 weight 0.10000E+01 volume -0.40000E-02 ppm1 8.297 ppm2 0.991 ASSI { 192} (( segid " " and resid "40 " and name "HN ")) (( segid " " and resid "39 " and name "HG21") OR ( segid " " and resid "39 " and name "HG23") OR ( segid " " and resid "39 " and name "HG22")) 5.500 3.800 0.000 peak 192 weight 0.10000E+01 volume 0.26630E+00 ppm1 8.409 ppm2 1.049 OR { 192} (( segid " " and resid "40 " and name "HN ")) (( segid " " and resid "39 " and name "HG11") OR ( segid " " and resid "39 " and name "HG13") OR ( segid " " and resid "39 " and name "HG12")) ASSI { 196} (( segid " " and resid "44 " and name "HN ")) (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) 5.000 3.100 0.500 peak 196 weight 0.10000E+01 volume -0.50100E+00 ppm1 8.564 ppm2 1.155 ASSI { 197} (( segid " " and resid "8 " and name "HN ")) (( segid " " and resid "7 " and name "HG21") OR ( segid " " and resid "7 " and name "HG23") OR ( segid " " and resid "7 " and name "HG22")) 5.000 3.100 0.500 peak 197 weight 0.10000E+01 volume -0.31000E+00 ppm1 8.591 ppm2 0.920 ASSI { 198} (( segid " " and resid "8 " and name "HN ")) (( segid " " and resid "7 " and name "HG11") OR ( segid " " and resid "7 " and name "HG13") OR ( segid " " and resid "7 " and name "HG12")) 5.000 3.100 0.500 peak 198 weight 0.10000E+01 volume -0.71900E+00 ppm1 8.584 ppm2 0.952 ASSI { 200} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "27 " and name "HB1 ")) 5.300 3.500 0.200 peak 200 weight 0.10000E+01 volume 0.69940E+00 ppm1 8.485 ppm2 1.230 ASSI { 202} (( segid " " and resid "44 " and name "HN ")) (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) 5.000 3.100 0.500 peak 202 weight 0.10000E+01 volume -0.47000E-01 ppm1 8.564 ppm2 1.290 ASSI { 211} (( segid " " and resid "54 " and name "HN ")) (( segid " " and resid "54 " and name "HG ")) 5.100 3.300 0.400 peak 211 weight 0.10000E+01 volume 0.79880E+00 ppm1 8.894 ppm2 1.647 ASSI { 213} (( segid " " and resid "34 " and name "HN ")) (( segid " " and resid "34 " and name "HG1 ")) 5.000 3.100 0.500 peak 213 weight 0.10000E+01 volume -0.34000E+00 ppm1 8.814 ppm2 1.703 OR { 213} (( segid " " and resid "34 " and name "HN ")) (( segid " " and resid "34 " and name "HG2 ")) ASSI { 214} (( segid " " and resid "34 " and name "HN ")) (( segid " " and resid "34 " and name "HB1 ")) 5.500 3.800 0.000 peak 214 weight 0.10000E+01 volume 0.23780E+00 ppm1 8.814 ppm2 1.787 ASSI { 215} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "17 " and name "HB1 ")) 5.000 3.100 0.500 peak 215 weight 0.10000E+01 volume -0.11700E+00 ppm1 8.963 ppm2 1.873 ASSI { 216} (( segid " " and resid "54 " and name "HN ")) (( segid " " and resid "41 " and name "HB ")) 5.000 3.100 0.500 peak 216 weight 0.10000E+01 volume -0.15500E+00 ppm1 8.898 ppm2 1.889 ASSI { 218} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "25 " and name "HB1 ")) 5.000 3.100 0.500 peak 218 weight 0.10000E+01 volume -0.53700E+00 ppm1 8.663 ppm2 1.712 OR { 218} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "25 " and name "HB2 ")) ASSI { 223} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "12 " and name "HB ")) 5.000 3.100 0.500 peak 223 weight 0.10000E+01 volume -0.18200E+00 ppm1 8.680 ppm2 1.938 ASSI { 224} (( segid " " and resid "8 " and name "HN ")) (( segid " " and resid "7 " and name "HB ")) 5.500 3.800 0.000 peak 224 weight 0.10000E+01 volume 0.65500E-01 ppm1 8.591 ppm2 2.076 ASSI { 225} (( segid " " and resid "8 " and name "HN ")) (( segid " " and resid "8 " and name "HB2 ")) 5.500 3.800 0.000 peak 225 weight 0.10000E+01 volume 0.18900E-01 ppm1 8.591 ppm2 1.991 OR { 225} (( segid " " and resid "8 " and name "HN ")) (( segid " " and resid "8 " and name "HB1 ")) ASSI { 226} (( segid " " and resid "8 " and name "HN ")) (( segid " " and resid "8 " and name "HG2 ")) 5.000 3.100 0.500 peak 226 weight 0.10000E+01 volume -0.27700E+00 ppm1 8.583 ppm2 1.691 ASSI { 227} (( segid " " and resid "8 " and name "HN ")) (( segid " " and resid "8 " and name "HG1 ")) 5.000 3.100 0.500 peak 227 weight 0.10000E+01 volume -0.21900E+00 ppm1 8.583 ppm2 1.571 ASSI { 228} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "60 " and name "HB1 ") OR ( segid " " and resid "60 " and name "HB3 ") OR ( segid " " and resid "60 " and name "HB2 ")) 5.500 3.800 0.000 peak 228 weight 0.10000E+01 volume 0.55800E-01 ppm1 8.560 ppm2 1.436 ASSI { 229} (( segid " " and resid "44 " and name "HN ")) (( segid " " and resid "26 " and name "HB1 ")) 5.000 3.100 0.500 peak 229 weight 0.10000E+01 volume -0.47200E+00 ppm1 8.560 ppm2 1.793 ASSI { 230} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "19 " and name "HB ")) 5.000 3.100 0.500 peak 230 weight 0.10000E+01 volume -0.14000E-01 ppm1 8.550 ppm2 1.866 ASSI { 234} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "28 " and name "HG2 ")) 5.000 3.100 0.500 peak 234 weight 0.10000E+01 volume -0.52600E+00 ppm1 8.482 ppm2 2.152 ASSI { 235} (( segid " " and resid "55 " and name "HN ")) (( segid " " and resid "56 " and name "HG1 ")) 4.700 2.800 0.800 peak 235 weight 0.10000E+01 volume 0.13266E+01 ppm1 8.484 ppm2 2.076 ASSI { 236} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "28 " and name "HB2 ")) 5.000 3.100 0.500 peak 236 weight 0.10000E+01 volume -0.32700E+00 ppm1 8.487 ppm2 2.026 ASSI { 245} (( segid " " and resid "55 " and name "HN ")) (( segid " " and resid "61 " and name "HG12")) 5.300 3.500 0.200 peak 245 weight 0.10000E+01 volume 0.65550E+00 ppm1 8.456 ppm2 1.509 ASSI { 246} (( segid " " and resid "40 " and name "HN ")) (( segid " " and resid "30 " and name "HG12")) 5.400 3.600 0.100 peak 246 weight 0.10000E+01 volume 0.57010E+00 ppm1 8.417 ppm2 1.457 ASSI { 251} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "28 " and name "HB1 ")) 5.000 3.100 0.500 peak 251 weight 0.10000E+01 volume -0.96000E-01 ppm1 8.451 ppm2 1.961 ASSI { 252} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "28 " and name "HB2 ")) 4.700 2.800 0.800 peak 252 weight 0.10000E+01 volume 0.13815E+01 ppm1 8.451 ppm2 2.026 ASSI { 253} (( segid " " and resid "40 " and name "HN ")) (( segid " " and resid "40 " and name "HB1 ")) 5.000 3.100 0.500 peak 253 weight 0.10000E+01 volume -0.32700E+00 ppm1 8.414 ppm2 2.054 ASSI { 254} (( segid " " and resid "40 " and name "HN ")) (( segid " " and resid "30 " and name "HB ")) 5.000 3.100 0.500 peak 254 weight 0.10000E+01 volume -0.29900E+00 ppm1 8.411 ppm2 2.132 ASSI { 255} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "28 " and name "HG2 ")) 5.000 3.100 0.500 peak 255 weight 0.10000E+01 volume -0.83000E-01 ppm1 8.454 ppm2 2.146 ASSI { 256} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "28 " and name "HG1 ")) 5.500 3.800 0.000 peak 256 weight 0.10000E+01 volume 0.23810E+00 ppm1 8.454 ppm2 2.242 ASSI { 264} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "20 " and name "HB1 ")) 4.700 2.800 0.800 peak 264 weight 0.10000E+01 volume 0.13795E+01 ppm1 8.550 ppm2 2.918 ASSI { 266} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "11 " and name "HB2 ")) 4.900 3.000 0.600 peak 266 weight 0.10000E+01 volume 0.10281E+01 ppm1 8.678 ppm2 2.759 ASSI { 277} (( segid " " and resid "33 " and name "HN ")) (( segid " " and resid "34 " and name "HA ")) 5.500 3.800 0.000 peak 277 weight 0.10000E+01 volume 0.54100E-01 ppm1 8.845 ppm2 3.975 ASSI { 279} (( segid " " and resid "34 " and name "HN ")) (( segid " " and resid "34 " and name "HA ")) 5.000 3.100 0.500 peak 279 weight 0.10000E+01 volume 0.93020E+00 ppm1 8.814 ppm2 3.976 ASSI { 280} (( segid " " and resid "54 " and name "HN ")) (( segid " " and resid "53 " and name "HB2 ")) 5.000 3.100 0.500 peak 280 weight 0.10000E+01 volume -0.52100E+00 ppm1 8.895 ppm2 4.200 ASSI { 283} (( segid " " and resid "34 " and name "HN ")) (( segid " " and resid "32 " and name "HA ")) 5.000 3.100 0.500 peak 283 weight 0.10000E+01 volume -0.70000E-02 ppm1 8.832 ppm2 4.278 ASSI { 285} (( segid " " and resid "15 " and name "HN ")) (( segid " " and resid "15 " and name "HA ")) 5.000 3.100 0.500 peak 285 weight 0.10000E+01 volume -0.20300E+00 ppm1 8.702 ppm2 4.634 ASSI { 286} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "11 " and name "HA ")) 5.000 3.100 0.500 peak 286 weight 0.10000E+01 volume -0.46000E+00 ppm1 8.681 ppm2 4.568 ASSI { 288} (( segid " " and resid "14 " and name "HN ")) (( segid " " and resid "13 " and name "HA ")) 5.400 3.600 0.100 peak 288 weight 0.10000E+01 volume 0.61590E+00 ppm1 8.504 ppm2 4.616 ASSI { 290} (( segid " " and resid "55 " and name "HN ")) (( segid " " and resid "55 " and name "HA ")) 5.000 3.100 0.500 peak 290 weight 0.10000E+01 volume -0.32900E+01 ppm1 8.479 ppm2 4.675 ASSI { 291} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "29 " and name "HA ")) 5.000 3.100 0.500 peak 291 weight 0.10000E+01 volume -0.33730E+01 ppm1 8.455 ppm2 4.678 ASSI { 294} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "28 " and name "HA ")) 5.500 3.800 0.000 peak 294 weight 0.10000E+01 volume 0.23020E+00 ppm1 8.454 ppm2 4.462 ASSI { 295} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "28 " and name "HA ")) 5.000 3.100 0.500 peak 295 weight 0.10000E+01 volume -0.17000E-01 ppm1 8.491 ppm2 4.469 ASSI { 298} (( segid " " and resid "40 " and name "HN ")) (( segid " " and resid "39 " and name "HA ")) 4.500 2.500 1.000 peak 298 weight 0.10000E+01 volume 0.18098E+01 ppm1 8.417 ppm2 4.222 ASSI { 300} (( segid " " and resid "51 " and name "HN ")) (( segid " " and resid "50 " and name "HA ")) 4.400 2.400 1.100 peak 300 weight 0.10000E+01 volume 0.21134E+01 ppm1 8.484 ppm2 4.176 ASSI { 305} (( segid " " and resid "15 " and name "HN ")) (( segid " " and resid "14 " and name "HA ")) 4.500 2.500 1.000 peak 305 weight 0.10000E+01 volume 0.18044E+01 ppm1 8.702 ppm2 4.233 ASSI { 307} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "12 " and name "HA ")) 5.500 3.800 0.000 peak 307 weight 0.10000E+01 volume 0.12580E+00 ppm1 8.676 ppm2 4.106 ASSI { 308} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "48 " and name "HA ")) 4.800 2.900 0.700 peak 308 weight 0.10000E+01 volume 0.11591E+01 ppm1 8.663 ppm2 4.059 ASSI { 309} (( segid " " and resid "15 " and name "HN ")) (( segid " " and resid "15 " and name "HB2 ")) 5.000 3.100 0.500 peak 309 weight 0.10000E+01 volume -0.37100E+00 ppm1 8.702 ppm2 3.993 ASSI { 310} (( segid " " and resid "15 " and name "HN ")) (( segid " " and resid "15 " and name "HB1 ")) 5.000 3.100 0.500 peak 310 weight 0.10000E+01 volume 0.96760E+00 ppm1 8.702 ppm2 3.841 ASSI { 311} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "49 " and name "HA2 ")) 5.000 3.100 0.500 peak 311 weight 0.10000E+01 volume -0.20000E-01 ppm1 8.665 ppm2 3.916 OR { 311} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "49 " and name "HA1 ")) ASSI { 313} (( segid " " and resid "14 " and name "HN ")) (( segid " " and resid "13 " and name "HB1 ")) 5.000 3.100 0.500 peak 313 weight 0.10000E+01 volume -0.70000E-01 ppm1 8.504 ppm2 3.800 OR { 313} (( segid " " and resid "14 " and name "HN ")) (( segid " " and resid "13 " and name "HB2 ")) ASSI { 315} (( segid " " and resid "44 " and name "HN ")) (( segid " " and resid "44 " and name "HB ")) 4.700 2.800 0.800 peak 315 weight 0.10000E+01 volume 0.13023E+01 ppm1 8.564 ppm2 3.950 ASSI { 317} (( segid " " and resid "55 " and name "HN ")) (( segid " " and resid "56 " and name "HD2 ")) 5.000 3.100 0.500 peak 317 weight 0.10000E+01 volume -0.40700E+00 ppm1 8.481 ppm2 3.956 OR { 317} (( segid " " and resid "55 " and name "HN ")) (( segid " " and resid "56 " and name "HD1 ")) ASSI { 326} (( segid " " and resid "33 " and name "HN ")) (( segid " " and resid "37 " and name "HA ")) 5.500 3.800 0.000 peak 326 weight 0.10000E+01 volume 0.35340E+00 ppm1 8.856 ppm2 4.863 ASSI { 328} (( segid " " and resid "44 " and name "HN ")) (( segid " " and resid "44 " and name "HA ")) 4.700 2.800 0.800 peak 328 weight 0.10000E+01 volume 0.13478E+01 ppm1 8.564 ppm2 4.812 ASSI { 330} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "41 " and name "HA ")) 5.500 3.800 0.000 peak 330 weight 0.10000E+01 volume 0.31780E+00 ppm1 8.482 ppm2 4.839 ASSI { 331} (( segid " " and resid "51 " and name "HN ")) (( segid " " and resid "44 " and name "HA ")) 5.100 3.300 0.400 peak 331 weight 0.10000E+01 volume 0.81550E+00 ppm1 8.481 ppm2 4.812 ASSI { 332} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "41 " and name "HA ")) 5.500 3.800 0.000 peak 332 weight 0.10000E+01 volume 0.73300E-01 ppm1 8.453 ppm2 4.845 ASSI { 333} (( segid " " and resid "40 " and name "HN ")) (( segid " " and resid "40 " and name "HA ")) 5.000 3.100 0.500 peak 333 weight 0.10000E+01 volume 0.99020E+00 ppm1 8.414 ppm2 4.777 ASSI { 336} (( segid " " and resid "26 " and name "HN ")) (( segid " " and resid "27 " and name "HA ")) 5.000 3.100 0.500 peak 336 weight 0.10000E+01 volume -0.40000E-02 ppm1 7.769 ppm2 5.400 ASSI { 337} (( segid " " and resid "9 " and name "HN ")) (( segid " " and resid "36 " and name "HA ")) 5.500 3.800 0.000 peak 337 weight 0.10000E+01 volume 0.97000E-02 ppm1 8.048 ppm2 5.131 ASSI { 338} (( segid " " and resid "38 " and name "HN ")) (( segid " " and resid "36 " and name "HA ")) 5.000 3.100 0.500 peak 338 weight 0.10000E+01 volume -0.26000E-01 ppm1 7.921 ppm2 5.135 ASSI { 339} (( segid " " and resid "26 " and name "HN ")) (( segid " " and resid "26 " and name "HA ")) 5.500 3.800 0.000 peak 339 weight 0.10000E+01 volume 0.41990E+00 ppm1 7.769 ppm2 5.127 ASSI { 340} (( segid " " and resid "35 " and name "HN ")) (( segid " " and resid "36 " and name "HA ")) 5.500 3.800 0.000 peak 340 weight 0.10000E+01 volume 0.65200E-01 ppm1 7.721 ppm2 5.135 ASSI { 341} (( segid " " and resid "26 " and name "HN ")) (( segid " " and resid "43 " and name "HA ")) 5.500 3.800 0.000 peak 341 weight 0.10000E+01 volume 0.28630E+00 ppm1 7.771 ppm2 5.026 ASSI { 343} (( segid " " and resid "17 " and name "HN ")) (( segid " " and resid "16 " and name "HA ")) 5.000 3.100 0.500 peak 343 weight 0.10000E+01 volume -0.10000E-01 ppm1 7.928 ppm2 4.967 ASSI { 344} (( segid " " and resid "38 " and name "HN ")) (( segid " " and resid "37 " and name "HA ")) 5.400 3.600 0.100 peak 344 weight 0.10000E+01 volume 0.62470E+00 ppm1 7.922 ppm2 4.864 ASSI { 347} (( segid " " and resid "26 " and name "HN ")) (( segid " " and resid "45 " and name "HA ")) 5.100 3.300 0.400 peak 347 weight 0.10000E+01 volume 0.81650E+00 ppm1 7.770 ppm2 4.922 ASSI { 349} (( segid " " and resid "20 " and name "HD21")) (( segid " " and resid "16 " and name "HA ")) 5.500 3.800 0.000 peak 349 weight 0.10000E+01 volume 0.33980E+00 ppm1 7.554 ppm2 4.968 ASSI { 351} (( segid " " and resid "26 " and name "HN ")) (( segid " " and resid "44 " and name "HA ")) 5.200 3.400 0.300 peak 351 weight 0.10000E+01 volume 0.76850E+00 ppm1 7.771 ppm2 4.811 ASSI { 354} (( segid " " and resid "39 " and name "HN ")) (( segid " " and resid "38 " and name "HA ")) 3.500 1.500 1.700 peak 354 weight 0.10000E+01 volume 0.81333E+01 ppm1 8.257 ppm2 4.742 ASSI { 356} (( segid " " and resid "32 " and name "HN ")) (( segid " " and resid "38 " and name "HA ")) 4.100 2.100 1.400 peak 356 weight 0.10000E+01 volume 0.32297E+01 ppm1 8.186 ppm2 4.727 ASSI { 358} (( segid " " and resid "9 " and name "HN ")) (( segid " " and resid "8 " and name "HA ")) 5.000 3.100 0.500 peak 358 weight 0.10000E+01 volume -0.47350E+01 ppm1 8.046 ppm2 4.679 ASSI { 359} (( segid " " and resid "38 " and name "HN ")) (( segid " " and resid "38 " and name "HA ")) 3.100 1.200 1.400 peak 359 weight 0.10000E+01 volume 0.16411E+02 ppm1 7.927 ppm2 4.729 ASSI { 360} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "55 " and name "HA ")) 5.000 3.100 0.500 peak 360 weight 0.10000E+01 volume -0.42010E+01 ppm1 7.660 ppm2 4.676 ASSI { 361} (( segid " " and resid "35 " and name "HN ")) (( segid " " and resid "35 " and name "HA ")) 5.000 3.100 0.500 peak 361 weight 0.10000E+01 volume -0.35360E+01 ppm1 7.721 ppm2 4.670 ASSI { 362} (( segid " " and resid "13 " and name "HN ")) (( segid " " and resid "13 " and name "HA ")) 5.000 3.100 0.500 peak 362 weight 0.10000E+01 volume -0.13100E+01 ppm1 7.800 ppm2 4.618 ASSI { 363} (( segid " " and resid "17 " and name "HN ")) (( segid " " and resid "15 " and name "HA ")) 5.000 3.100 0.500 peak 363 weight 0.10000E+01 volume -0.32590E+01 ppm1 7.929 ppm2 4.634 ASSI { 364} (( segid " " and resid "17 " and name "HN ")) (( segid " " and resid "17 " and name "HA ")) 5.500 3.800 0.000 peak 364 weight 0.10000E+01 volume 0.68500E-01 ppm1 7.928 ppm2 4.579 ASSI { 365} (( segid " " and resid "13 " and name "HN ")) (( segid " " and resid "11 " and name "HA ")) 5.000 3.100 0.500 peak 365 weight 0.10000E+01 volume -0.88700E+00 ppm1 7.799 ppm2 4.569 ASSI { 370} (( segid " " and resid "66 " and name "HN ")) (( segid " " and resid "63 " and name "HA ")) 5.000 3.100 0.500 peak 370 weight 0.10000E+01 volume -0.86700E+00 ppm1 7.520 ppm2 4.495 ASSI { 372} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "58 " and name "HA ")) 5.000 3.100 0.500 peak 372 weight 0.10000E+01 volume -0.59300E+00 ppm1 7.655 ppm2 4.495 ASSI { 375} (( segid " " and resid "64 " and name "HN ")) (( segid " " and resid "63 " and name "HA ")) 5.000 3.100 0.500 peak 375 weight 0.10000E+01 volume -0.12100E+01 ppm1 7.752 ppm2 4.496 ASSI { 376} (( segid " " and resid "26 " and name "HN ")) (( segid " " and resid "24 " and name "HA ")) 5.000 3.100 0.500 peak 376 weight 0.10000E+01 volume -0.20620E+01 ppm1 7.769 ppm2 4.426 ASSI { 377} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "63 " and name "HA ")) 5.000 3.100 0.500 peak 377 weight 0.10000E+01 volume -0.14910E+01 ppm1 7.799 ppm2 4.493 ASSI { 378} (( segid " " and resid "19 " and name "HN ")) (( segid " " and resid "18 " and name "HA ")) 5.000 3.100 0.500 peak 378 weight 0.10000E+01 volume -0.15000E+00 ppm1 7.553 ppm2 4.321 ASSI { 380} (( segid " " and resid "69 " and name "HN ")) (( segid " " and resid "69 " and name "HA ")) 5.000 3.100 0.500 peak 380 weight 0.10000E+01 volume -0.28100E+00 ppm1 7.947 ppm2 4.341 ASSI { 382} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "23 " and name "HA ")) 5.000 3.100 0.500 peak 382 weight 0.10000E+01 volume -0.34500E+00 ppm1 8.098 ppm2 4.534 ASSI { 383} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "63 " and name "HA ")) 5.000 3.100 0.500 peak 383 weight 0.10000E+01 volume -0.28500E+00 ppm1 8.055 ppm2 4.495 ASSI { 385} (( segid " " and resid "47 " and name "HN ")) (( segid " " and resid "23 " and name "HA ")) 5.000 3.100 0.500 peak 385 weight 0.10000E+01 volume -0.34900E+00 ppm1 8.162 ppm2 4.533 ASSI { 386} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "23 " and name "HA ")) 5.000 3.100 0.500 peak 386 weight 0.10000E+01 volume -0.11240E+01 ppm1 8.227 ppm2 4.531 ASSI { 392} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "24 " and name "HA ")) 5.000 3.100 0.500 peak 392 weight 0.10000E+01 volume -0.95000E+00 ppm1 8.228 ppm2 4.421 ASSI { 402} (( segid " " and resid "7 " and name "HN ")) (( segid " " and resid "7 " and name "HA ")) 5.000 3.100 0.500 peak 402 weight 0.10000E+01 volume -0.61200E+00 ppm1 8.057 ppm2 4.270 ASSI { 403} (( segid " " and resid "68 " and name "HN ")) (( segid " " and resid "67 " and name "HA ")) 5.000 3.100 0.500 peak 403 weight 0.10000E+01 volume -0.47700E+00 ppm1 8.089 ppm2 4.269 ASSI { 404} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "60 " and name "HA ")) 5.000 3.100 0.500 peak 404 weight 0.10000E+01 volume -0.19600E+00 ppm1 8.056 ppm2 4.211 ASSI { 406} (( segid " " and resid "68 " and name "HN ")) (( segid " " and resid "68 " and name "HA ")) 5.000 3.100 0.500 peak 406 weight 0.10000E+01 volume 0.97460E+00 ppm1 8.087 ppm2 4.114 ASSI { 408} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "21 " and name "HD2 ")) 5.500 3.800 0.000 peak 408 weight 0.10000E+01 volume 0.16830E+00 ppm1 8.064 ppm2 4.001 ASSI { 409} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "23 " and name "HB1 ")) 5.500 3.800 0.000 peak 409 weight 0.10000E+01 volume 0.19510E+00 ppm1 8.095 ppm2 3.989 OR { 409} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "23 " and name "HB2 ")) ASSI { 410} (( segid " " and resid "68 " and name "HN ")) (( segid " " and resid "65 " and name "HA ")) 4.800 2.900 0.700 peak 410 weight 0.10000E+01 volume 0.12864E+01 ppm1 8.087 ppm2 3.911 ASSI { 411} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "62 " and name "HA ")) 4.800 2.900 0.700 peak 411 weight 0.10000E+01 volume 0.11803E+01 ppm1 8.057 ppm2 3.905 ASSI { 415} (( segid " " and resid "39 " and name "HN ")) (( segid " " and resid "39 " and name "HA ")) 5.200 3.400 0.300 peak 415 weight 0.10000E+01 volume 0.77840E+00 ppm1 8.257 ppm2 4.222 ASSI { 416} (( segid " " and resid "60 " and name "HN ")) (( segid " " and resid "60 " and name "HA ")) 5.400 3.600 0.100 peak 416 weight 0.10000E+01 volume 0.57910E+00 ppm1 8.216 ppm2 4.207 ASSI { 417} (( segid " " and resid "60 " and name "HN ")) (( segid " " and resid "58 " and name "HB1 ")) 5.500 3.800 0.000 peak 417 weight 0.10000E+01 volume 0.38760E+00 ppm1 8.217 ppm2 4.140 ASSI { 419} (( segid " " and resid "47 " and name "HN ")) (( segid " " and resid "47 " and name "HA ")) 5.400 3.600 0.100 peak 419 weight 0.10000E+01 volume 0.60120E+00 ppm1 8.158 ppm2 4.227 ASSI { 422} (( segid " " and resid "62 " and name "HN ")) (( segid " " and resid "58 " and name "HB1 ")) 5.500 3.800 0.000 peak 422 weight 0.10000E+01 volume 0.51330E+00 ppm1 8.306 ppm2 4.143 ASSI { 424} (( segid " " and resid "62 " and name "HN ")) (( segid " " and resid "58 " and name "HB2 ")) 5.500 3.800 0.000 peak 424 weight 0.10000E+01 volume 0.17470E+00 ppm1 8.309 ppm2 4.033 ASSI { 427} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "46 " and name "HA ")) 5.000 3.100 0.500 peak 427 weight 0.10000E+01 volume -0.30000E-01 ppm1 8.228 ppm2 4.022 ASSI { 428} (( segid " " and resid "47 " and name "HN ")) (( segid " " and resid "46 " and name "HA ")) 4.900 3.000 0.600 peak 428 weight 0.10000E+01 volume 0.10128E+01 ppm1 8.161 ppm2 4.022 ASSI { 435} (( segid " " and resid "9 " and name "HN ")) (( segid " " and resid "9 " and name "HB2 ")) 4.700 2.800 0.800 peak 435 weight 0.10000E+01 volume 0.13253E+01 ppm1 8.047 ppm2 3.803 ASSI { 436} (( segid " " and resid "38 " and name "HN ")) (( segid " " and resid "37 " and name "HD1 ")) 4.500 2.500 1.000 peak 436 weight 0.10000E+01 volume 0.18769E+01 ppm1 7.924 ppm2 3.702 ASSI { 437} (( segid " " and resid "38 " and name "HN ")) (( segid " " and resid "37 " and name "HD2 ")) 5.500 3.800 0.000 peak 437 weight 0.10000E+01 volume 0.36900E-01 ppm1 7.924 ppm2 3.659 ASSI { 438} (( segid " " and resid "13 " and name "HN ")) (( segid " " and resid "13 " and name "HB2 ")) 5.000 3.100 0.500 peak 438 weight 0.10000E+01 volume -0.52000E+00 ppm1 7.799 ppm2 3.800 OR { 438} (( segid " " and resid "13 " and name "HN ")) (( segid " " and resid "13 " and name "HB1 ")) ASSI { 440} (( segid " " and resid "69 " and name "HN ")) (( segid " " and resid "65 " and name "HA ")) 4.900 3.000 0.600 peak 440 weight 0.10000E+01 volume 0.10747E+01 ppm1 7.946 ppm2 3.909 ASSI { 441} (( segid " " and resid "69 " and name "HN ")) (( segid " " and resid "69 " and name "HB1 ")) 4.900 3.000 0.600 peak 441 weight 0.10000E+01 volume 0.10231E+01 ppm1 7.946 ppm2 4.001 OR { 441} (( segid " " and resid "69 " and name "HN ")) (( segid " " and resid "69 " and name "HB2 ")) ASSI { 445} (( segid " " and resid "69 " and name "HN ")) (( segid " " and resid "67 " and name "HA ")) 5.000 3.100 0.500 peak 445 weight 0.10000E+01 volume -0.71000E+00 ppm1 7.945 ppm2 4.267 ASSI { 446} (( segid " " and resid "38 " and name "HN ")) (( segid " " and resid "32 " and name "HA ")) 5.000 3.100 0.500 peak 446 weight 0.10000E+01 volume -0.69800E+00 ppm1 7.922 ppm2 4.269 ASSI { 447} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "65 " and name "HA ")) 4.700 2.800 0.800 peak 447 weight 0.10000E+01 volume 0.12911E+01 ppm1 7.804 ppm2 3.910 ASSI { 448} (( segid " " and resid "49 " and name "HN ")) (( segid " " and resid "49 " and name "HA2 ")) 4.300 2.300 1.200 peak 448 weight 0.10000E+01 volume 0.21934E+01 ppm1 7.828 ppm2 3.916 OR { 448} (( segid " " and resid "49 " and name "HN ")) (( segid " " and resid "49 " and name "HA1 ")) ASSI { 450} (( segid " " and resid "26 " and name "HN ")) (( segid " " and resid "44 " and name "HB ")) 4.700 2.800 0.800 peak 450 weight 0.10000E+01 volume 0.14331E+01 ppm1 7.771 ppm2 3.950 ASSI { 452} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "69 " and name "HB1 ")) 5.500 3.800 0.000 peak 452 weight 0.10000E+01 volume 0.24000E-01 ppm1 7.799 ppm2 4.008 OR { 452} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "69 " and name "HB2 ")) ASSI { 453} (( segid " " and resid "49 " and name "HN ")) (( segid " " and resid "48 " and name "HA ")) 5.100 3.300 0.400 peak 453 weight 0.10000E+01 volume 0.83350E+00 ppm1 7.827 ppm2 4.057 ASSI { 455} (( segid " " and resid "49 " and name "HN ")) (( segid " " and resid "50 " and name "HA ")) 5.000 3.100 0.500 peak 455 weight 0.10000E+01 volume -0.17900E+00 ppm1 7.827 ppm2 4.181 ASSI { 456} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "67 " and name "HA ")) 5.500 3.800 0.000 peak 456 weight 0.10000E+01 volume 0.69400E-01 ppm1 7.800 ppm2 4.259 ASSI { 458} (( segid " " and resid "64 " and name "HN ")) (( segid " " and resid "64 " and name "HA ")) 5.000 3.100 0.500 peak 458 weight 0.10000E+01 volume -0.44800E+00 ppm1 7.751 ppm2 4.222 ASSI { 459} (( segid " " and resid "9 " and name "HN ")) (( segid " " and resid "36 " and name "HB2 ")) 5.000 3.100 0.500 peak 459 weight 0.10000E+01 volume -0.17000E-01 ppm1 8.048 ppm2 3.297 ASSI { 462} (( segid " " and resid "38 " and name "HN ")) (( segid " " and resid "36 " and name "HB2 ")) 5.500 3.800 0.000 peak 462 weight 0.10000E+01 volume 0.27820E+00 ppm1 7.922 ppm2 3.311 ASSI { 464} (( segid " " and resid "13 " and name "HN ")) (( segid " " and resid "11 " and name "HB1 ")) 5.000 3.100 0.500 peak 464 weight 0.10000E+01 volume 0.99460E+00 ppm1 7.793 ppm2 3.276 ASSI { 466} (( segid " " and resid "17 " and name "HN ")) (( segid " " and resid "16 " and name "HB2 ")) 5.100 3.300 0.400 peak 466 weight 0.10000E+01 volume 0.81270E+00 ppm1 7.932 ppm2 3.014 ASSI { 470} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "20 " and name "HB2 ")) 5.500 3.800 0.000 peak 470 weight 0.10000E+01 volume 0.48110E+00 ppm1 8.091 ppm2 2.820 ASSI { 472} (( segid " " and resid "9 " and name "HN ")) (( segid " " and resid "36 " and name "HB1 ")) 4.700 2.800 0.800 peak 472 weight 0.10000E+01 volume 0.13064E+01 ppm1 8.055 ppm2 2.876 ASSI { 473} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "20 " and name "HB1 ")) 5.000 3.100 0.500 peak 473 weight 0.10000E+01 volume -0.17400E+00 ppm1 8.094 ppm2 2.920 ASSI { 474} (( segid " " and resid "17 " and name "HN ")) (( segid " " and resid "16 " and name "HB1 ")) 5.000 3.100 0.500 peak 474 weight 0.10000E+01 volume 0.97480E+00 ppm1 7.930 ppm2 2.790 ASSI { 481} (( segid " " and resid "9 " and name "HN ")) (( segid " " and resid "9 " and name "HB1 ")) 5.100 3.300 0.400 peak 481 weight 0.10000E+01 volume 0.79770E+00 ppm1 8.047 ppm2 2.692 ASSI { 483} (( segid " " and resid "35 " and name "HN ")) (( segid " " and resid "35 " and name "HB1 ")) 5.000 3.100 0.500 peak 483 weight 0.10000E+01 volume -0.76000E-01 ppm1 7.722 ppm2 2.723 ASSI { 484} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "45 " and name "HG2 ")) 5.000 3.100 0.500 peak 484 weight 0.10000E+01 volume -0.31700E+00 ppm1 8.227 ppm2 2.496 OR { 484} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "45 " and name "HG1 ")) ASSI { 486} (( segid " " and resid "47 " and name "HN ")) (( segid " " and resid "45 " and name "HB1 ")) 5.500 3.800 0.000 peak 486 weight 0.10000E+01 volume 0.39740E+00 ppm1 8.164 ppm2 2.400 ASSI { 494} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "68 " and name "HB ")) 5.500 3.800 0.000 peak 494 weight 0.10000E+01 volume 0.67800E-01 ppm1 7.802 ppm2 2.243 ASSI { 495} (( segid " " and resid "26 " and name "HN ")) (( segid " " and resid "25 " and name "HG1 ")) 5.000 3.100 0.500 peak 495 weight 0.10000E+01 volume -0.27900E+00 ppm1 7.767 ppm2 2.191 OR { 495} (( segid " " and resid "26 " and name "HN ")) (( segid " " and resid "25 " and name "HG2 ")) ASSI { 497} (( segid " " and resid "68 " and name "HN ")) (( segid " " and resid "68 " and name "HB ")) 5.500 3.800 0.000 peak 497 weight 0.10000E+01 volume 0.55890E+00 ppm1 8.087 ppm2 2.240 ASSI { 500} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "45 " and name "HB2 ")) 5.000 3.100 0.500 peak 500 weight 0.10000E+01 volume -0.62300E+00 ppm1 8.219 ppm2 2.165 ASSI { 503} (( segid " " and resid "39 " and name "HN ")) (( segid " " and resid "56 " and name "HG2 ")) 5.000 3.100 0.500 peak 503 weight 0.10000E+01 volume -0.11000E-01 ppm1 8.253 ppm2 2.014 ASSI { 504} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "64 " and name "HB2 ")) 5.000 3.100 0.500 peak 504 weight 0.10000E+01 volume 0.91180E+00 ppm1 8.298 ppm2 2.052 ASSI { 509} (( segid " " and resid "7 " and name "HN ")) (( segid " " and resid "7 " and name "HB ")) 5.000 3.100 0.500 peak 509 weight 0.10000E+01 volume -0.18000E+00 ppm1 8.060 ppm2 2.077 ASSI { 512} (( segid " " and resid "9 " and name "HN ")) (( segid " " and resid "8 " and name "HB1 ")) 5.500 3.800 0.000 peak 512 weight 0.10000E+01 volume 0.72400E-01 ppm1 8.047 ppm2 1.991 OR { 512} (( segid " " and resid "9 " and name "HN ")) (( segid " " and resid "8 " and name "HB2 ")) ASSI { 515} (( segid " " and resid "9 " and name "HN ")) (( segid " " and resid "8 " and name "HG2 ")) 5.000 3.100 0.500 peak 515 weight 0.10000E+01 volume -0.75100E+00 ppm1 8.048 ppm2 1.691 ASSI { 517} (( segid " " and resid "68 " and name "HN ")) (( segid " " and resid "67 " and name "HB1 ") OR ( segid " " and resid "67 " and name "HB3 ") OR ( segid " " and resid "67 " and name "HB2 ")) 5.500 3.800 0.000 peak 517 weight 0.10000E+01 volume 0.45520E+00 ppm1 8.087 ppm2 1.559 ASSI { 519} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "47 " and name "HB2 ")) 5.000 3.100 0.500 peak 519 weight 0.10000E+01 volume -0.58900E+00 ppm1 8.092 ppm2 1.753 ASSI { 520} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "19 " and name "HB ")) 5.000 3.100 0.500 peak 520 weight 0.10000E+01 volume 0.89310E+00 ppm1 8.087 ppm2 1.869 ASSI { 523} (( segid " " and resid "47 " and name "HN ")) (( segid " " and resid "47 " and name "HB1 ")) 5.500 3.800 0.000 peak 523 weight 0.10000E+01 volume 0.11960E+00 ppm1 8.157 ppm2 1.926 ASSI { 525} (( segid " " and resid "47 " and name "HN ")) (( segid " " and resid "47 " and name "HB2 ")) 5.000 3.100 0.500 peak 525 weight 0.10000E+01 volume -0.14100E+00 ppm1 8.157 ppm2 1.750 ASSI { 528} (( segid " " and resid "62 " and name "HN ")) (( segid " " and resid "61 " and name "HG12")) 5.000 3.100 0.500 peak 528 weight 0.10000E+01 volume -0.38000E-01 ppm1 8.311 ppm2 1.513 ASSI { 529} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "64 " and name "HG ")) 5.000 3.100 0.500 peak 529 weight 0.10000E+01 volume -0.52000E-01 ppm1 8.309 ppm2 1.591 ASSI { 539} (( segid " " and resid "17 " and name "HN ")) (( segid " " and resid "17 " and name "HB2 ")) 5.200 3.400 0.300 peak 539 weight 0.10000E+01 volume 0.77710E+00 ppm1 7.928 ppm2 2.070 ASSI { 541} (( segid " " and resid "17 " and name "HN ")) (( segid " " and resid "17 " and name "HB1 ")) 4.900 3.000 0.600 peak 541 weight 0.10000E+01 volume 0.11031E+01 ppm1 7.929 ppm2 1.868 ASSI { 542} (( segid " " and resid "69 " and name "HN ")) (( segid " " and resid "66 " and name "HB2 ")) 5.000 3.100 0.500 peak 542 weight 0.10000E+01 volume -0.45000E-01 ppm1 7.948 ppm2 1.939 ASSI { 544} (( segid " " and resid "69 " and name "HN ")) (( segid " " and resid "67 " and name "HB1 ") OR ( segid " " and resid "67 " and name "HB3 ") OR ( segid " " and resid "67 " and name "HB2 ")) 5.000 3.100 0.500 peak 544 weight 0.10000E+01 volume -0.10150E+01 ppm1 7.945 ppm2 1.558 ASSI { 547} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "67 " and name "HB1 ") OR ( segid " " and resid "67 " and name "HB3 ") OR ( segid " " and resid "67 " and name "HB2 ")) 4.600 2.600 0.900 peak 547 weight 0.10000E+01 volume 0.15802E+01 ppm1 7.801 ppm2 1.558 ASSI { 548} (( segid " " and resid "64 " and name "HN ")) (( segid " " and resid "64 " and name "HG ")) 5.000 3.100 0.500 peak 548 weight 0.10000E+01 volume -0.12890E+01 ppm1 7.752 ppm2 1.593 ASSI { 549} (( segid " " and resid "35 " and name "HN ")) (( segid " " and resid "34 " and name "HB2 ")) 5.000 3.100 0.500 peak 549 weight 0.10000E+01 volume -0.39500E+00 ppm1 7.721 ppm2 1.620 ASSI { 550} (( segid " " and resid "35 " and name "HN ")) (( segid " " and resid "34 " and name "HG1 ")) 5.000 3.100 0.500 peak 550 weight 0.10000E+01 volume -0.16420E+01 ppm1 7.722 ppm2 1.703 OR { 550} (( segid " " and resid "35 " and name "HN ")) (( segid " " and resid "34 " and name "HG2 ")) ASSI { 551} (( segid " " and resid "35 " and name "HN ")) (( segid " " and resid "34 " and name "HB1 ")) 5.000 3.100 0.500 peak 551 weight 0.10000E+01 volume -0.51300E+00 ppm1 7.724 ppm2 1.782 ASSI { 552} (( segid " " and resid "26 " and name "HN ")) (( segid " " and resid "25 " and name "HB2 ")) 5.500 3.800 0.000 peak 552 weight 0.10000E+01 volume 0.34260E+00 ppm1 7.771 ppm2 1.695 ASSI { 555} (( segid " " and resid "26 " and name "HN ")) (( segid " " and resid "26 " and name "HB2 ")) 5.000 3.100 0.500 peak 555 weight 0.10000E+01 volume -0.52000E-01 ppm1 7.771 ppm2 1.888 ASSI { 557} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "66 " and name "HB2 ")) 4.700 2.800 0.800 peak 557 weight 0.10000E+01 volume 0.12988E+01 ppm1 7.800 ppm2 1.940 ASSI { 558} (( segid " " and resid "64 " and name "HN ")) (( segid " " and resid "64 " and name "HB1 ")) 5.000 3.100 0.500 peak 558 weight 0.10000E+01 volume -0.52400E+00 ppm1 7.752 ppm2 2.051 OR { 558} (( segid " " and resid "64 " and name "HN ")) (( segid " " and resid "64 " and name "HB2 ")) ASSI { 559} (( segid " " and resid "60 " and name "HN ")) (( segid " " and resid "60 " and name "HB1 ") OR ( segid " " and resid "60 " and name "HB3 ") OR ( segid " " and resid "60 " and name "HB2 ")) 5.100 3.300 0.400 peak 559 weight 0.10000E+01 volume 0.82950E+00 ppm1 8.216 ppm2 1.438 ASSI { 560} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "24 " and name "HD11") OR ( segid " " and resid "24 " and name "HD13") OR ( segid " " and resid "24 " and name "HD12")) 5.000 3.100 0.500 peak 560 weight 0.10000E+01 volume -0.94000E-01 ppm1 8.228 ppm2 1.391 OR { 560} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) ASSI { 562} (( segid " " and resid "47 " and name "HN ")) (( segid " " and resid "47 " and name "HG1 ")) 5.000 3.100 0.500 peak 562 weight 0.10000E+01 volume -0.28100E+00 ppm1 8.159 ppm2 1.454 ASSI { 569} (( segid " " and resid "68 " and name "HN ")) (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) 5.500 3.800 0.000 peak 569 weight 0.10000E+01 volume 0.23770E+00 ppm1 8.094 ppm2 1.401 OR { 569} (( segid " " and resid "68 " and name "HN ")) (( segid " " and resid "24 " and name "HD11") OR ( segid " " and resid "24 " and name "HD13") OR ( segid " " and resid "24 " and name "HD12")) ASSI { 570} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "60 " and name "HB1 ") OR ( segid " " and resid "60 " and name "HB3 ") OR ( segid " " and resid "60 " and name "HB2 ")) 5.500 3.800 0.000 peak 570 weight 0.10000E+01 volume 0.31720E+00 ppm1 8.057 ppm2 1.446 ASSI { 572} (( segid " " and resid "49 " and name "HN ")) (( segid " " and resid "48 " and name "HG1 ")) 5.500 3.800 0.000 peak 572 weight 0.10000E+01 volume 0.24540E+00 ppm1 7.827 ppm2 1.449 ASSI { 573} (( segid " " and resid "26 " and name "HN ")) (( segid " " and resid "26 " and name "HG2 ")) 5.500 3.800 0.000 peak 573 weight 0.10000E+01 volume 0.17190E+00 ppm1 7.771 ppm2 1.398 ASSI { 574} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "57 " and name "HB2 ")) 5.200 3.400 0.300 peak 574 weight 0.10000E+01 volume 0.74300E+00 ppm1 7.655 ppm2 1.823 ASSI { 578} (( segid " " and resid "26 " and name "HN ")) (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) 5.000 3.100 0.500 peak 578 weight 0.10000E+01 volume -0.67000E-01 ppm1 7.770 ppm2 1.290 ASSI { 579} (( segid " " and resid "13 " and name "HN ")) (( segid " " and resid "12 " and name "HG12")) 5.500 3.800 0.000 peak 579 weight 0.10000E+01 volume 0.24330E+00 ppm1 7.793 ppm2 1.250 OR { 579} (( segid " " and resid "13 " and name "HN ")) (( segid " " and resid "12 " and name "HG11")) ASSI { 582} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) 5.000 3.100 0.500 peak 582 weight 0.10000E+01 volume -0.20000E-01 ppm1 8.227 ppm2 1.169 ASSI { 583} (( segid " " and resid "39 " and name "HN ")) (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) 5.000 3.100 0.500 peak 583 weight 0.10000E+01 volume -0.98400E+00 ppm1 8.258 ppm2 1.167 ASSI { 584} (( segid " " and resid "39 " and name "HN ")) (( segid " " and resid "39 " and name "HG11") OR ( segid " " and resid "39 " and name "HG13") OR ( segid " " and resid "39 " and name "HG12")) 5.000 3.100 0.500 peak 584 weight 0.10000E+01 volume -0.28100E+00 ppm1 8.258 ppm2 1.049 ASSI { 588} (( segid " " and resid "32 " and name "HN ")) (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) 5.000 3.100 0.500 peak 588 weight 0.10000E+01 volume -0.11700E+00 ppm1 8.186 ppm2 1.169 ASSI { 597} (( segid " " and resid "68 " and name "HN ")) (( segid " " and resid "68 " and name "HG21") OR ( segid " " and resid "68 " and name "HG23") OR ( segid " " and resid "68 " and name "HG22")) 5.000 3.100 0.500 peak 597 weight 0.10000E+01 volume 0.89280E+00 ppm1 8.087 ppm2 0.992 ASSI { 598} (( segid " " and resid "68 " and name "HN ")) (( segid " " and resid "68 " and name "HG11") OR ( segid " " and resid "68 " and name "HG13") OR ( segid " " and resid "68 " and name "HG12")) 5.000 3.100 0.500 peak 598 weight 0.10000E+01 volume -0.11000E+00 ppm1 8.085 ppm2 0.966 ASSI { 601} (( segid " " and resid "7 " and name "HN ")) (( segid " " and resid "7 " and name "HG21") OR ( segid " " and resid "7 " and name "HG23") OR ( segid " " and resid "7 " and name "HG22")) 5.500 3.800 0.000 peak 601 weight 0.10000E+01 volume 0.21340E+00 ppm1 8.057 ppm2 0.920 ASSI { 608} (( segid " " and resid "17 " and name "HN ")) (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) 5.000 3.100 0.500 peak 608 weight 0.10000E+01 volume -0.68100E+00 ppm1 7.931 ppm2 0.764 ASSI { 612} (( segid " " and resid "49 " and name "HN ")) (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) 5.500 3.800 0.000 peak 612 weight 0.10000E+01 volume 0.28640E+00 ppm1 7.828 ppm2 1.154 ASSI { 615} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "68 " and name "HG21") OR ( segid " " and resid "68 " and name "HG23") OR ( segid " " and resid "68 " and name "HG22")) 5.000 3.100 0.500 peak 615 weight 0.10000E+01 volume -0.30500E+00 ppm1 7.802 ppm2 0.992 ASSI { 618} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) 5.500 3.800 0.000 peak 618 weight 0.10000E+01 volume 0.79000E-01 ppm1 7.799 ppm2 0.838 OR { 618} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) ASSI { 621} (( segid " " and resid "64 " and name "HN ")) (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) 5.000 3.100 0.500 peak 621 weight 0.10000E+01 volume -0.38400E+00 ppm1 7.763 ppm2 0.838 OR { 621} (( segid " " and resid "64 " and name "HN ")) (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) ASSI { 626} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) 5.000 3.100 0.500 peak 626 weight 0.10000E+01 volume -0.43300E+00 ppm1 7.663 ppm2 0.763 ASSI { 631} (( segid " " and resid "24 " and name "HN ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) 4.700 2.800 0.800 peak 631 weight 0.10000E+01 volume 0.13367E+01 ppm1 7.259 ppm2 0.763 OR { 631} (( segid " " and resid "24 " and name "HN ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) ASSI { 632} (( segid " " and resid "58 " and name "HN ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) 4.000 4.000 0.500 peak 632 weight 0.10000E+01 volume 0.34373E+01 ppm1 7.297 ppm2 0.764 ASSI { 636} (( segid " " and resid "66 " and name "HN ")) (( segid " " and resid "65 " and name "HD11") OR ( segid " " and resid "65 " and name "HD13") OR ( segid " " and resid "65 " and name "HD12")) 5.100 3.300 0.400 peak 636 weight 0.10000E+01 volume 0.84990E+00 ppm1 7.521 ppm2 0.768 OR { 636} (( segid " " and resid "66 " and name "HN ")) (( segid " " and resid "65 " and name "HD21") OR ( segid " " and resid "65 " and name "HD23") OR ( segid " " and resid "65 " and name "HD22")) ASSI { 640} (( segid " " and resid "66 " and name "HN ")) (( segid " " and resid "29 " and name "HG21") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG22")) 5.000 3.100 0.500 peak 640 weight 0.10000E+01 volume -0.20700E+00 ppm1 7.521 ppm2 0.873 ASSI { 641} (( segid " " and resid "66 " and name "HN ")) (( segid " " and resid "68 " and name "HG21") OR ( segid " " and resid "68 " and name "HG23") OR ( segid " " and resid "68 " and name "HG22")) 5.000 3.100 0.500 peak 641 weight 0.10000E+01 volume -0.10000E+00 ppm1 7.520 ppm2 0.993 ASSI { 643} (( segid " " and resid "35 " and name "HD1 ") OR ( segid " " and resid "35 " and name "HD2 ")) (( segid " " and resid "7 " and name "HG11") OR ( segid " " and resid "7 " and name "HG13") OR ( segid " " and resid "7 " and name "HG12")) 3.700 1.700 1.800 peak 643 weight 0.10000E+01 volume 0.60674E+01 ppm1 7.270 ppm2 0.955 ASSI { 644} (( segid " " and resid "50 " and name "HN ")) (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) 5.500 3.800 0.000 peak 644 weight 0.10000E+01 volume 0.26500E-01 ppm1 7.474 ppm2 1.153 ASSI { 645} (( segid " " and resid "35 " and name "HE1 ") OR ( segid " " and resid "35 " and name "HE2 ")) (( segid " " and resid "10 " and name "HG21") OR ( segid " " and resid "10 " and name "HG23") OR ( segid " " and resid "10 " and name "HG22")) 5.500 3.800 0.000 peak 645 weight 0.10000E+01 volume 0.92000E-01 ppm1 7.377 ppm2 1.174 ASSI { 648} (( segid " " and resid "24 " and name "HN ")) (( segid " " and resid "24 " and name "HD11") OR ( segid " " and resid "24 " and name "HD13") OR ( segid " " and resid "24 " and name "HD12")) 5.000 3.100 0.500 peak 648 weight 0.10000E+01 volume -0.17000E-01 ppm1 7.274 ppm2 1.399 OR { 648} (( segid " " and resid "24 " and name "HN ")) (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) ASSI { 650} (( segid " " and resid "50 " and name "HN ")) (( segid " " and resid "48 " and name "HG1 ")) 5.500 3.800 0.000 peak 650 weight 0.10000E+01 volume 0.15100E-01 ppm1 7.472 ppm2 1.450 ASSI { 652} (( segid " " and resid "61 " and name "HN ")) (( segid " " and resid "60 " and name "HB1 ") OR ( segid " " and resid "60 " and name "HB3 ") OR ( segid " " and resid "60 " and name "HB2 ")) 5.000 3.100 0.500 peak 652 weight 0.10000E+01 volume -0.14300E+00 ppm1 7.300 ppm2 1.438 ASSI { 655} (( segid " " and resid "58 " and name "HN ")) (( segid " " and resid "61 " and name "HG12")) 5.000 3.100 0.500 peak 655 weight 0.10000E+01 volume -0.48300E+00 ppm1 7.299 ppm2 1.517 ASSI { 666} (( segid " " and resid "66 " and name "HN ")) (( segid " " and resid "66 " and name "HB2 ")) 4.800 2.900 0.700 peak 666 weight 0.10000E+01 volume 0.12200E+01 ppm1 7.521 ppm2 1.944 ASSI { 667} (( segid " " and resid "50 " and name "HN ")) (( segid " " and resid "50 " and name "HB1 ")) 5.000 3.100 0.500 peak 667 weight 0.10000E+01 volume -0.21500E+00 ppm1 7.474 ppm2 1.913 OR { 667} (( segid " " and resid "50 " and name "HN ")) (( segid " " and resid "50 " and name "HB2 ")) ASSI { 668} (( segid " " and resid "61 " and name "HN ")) (( segid " " and resid "59 " and name "HB1 ")) 5.100 3.300 0.400 peak 668 weight 0.10000E+01 volume 0.87380E+00 ppm1 7.295 ppm2 1.902 ASSI { 669} (( segid " " and resid "24 " and name "HN ")) (( segid " " and resid "47 " and name "HB1 ")) 5.500 3.800 0.000 peak 669 weight 0.10000E+01 volume 0.53310E+00 ppm1 7.257 ppm2 1.937 ASSI { 675} (( segid " " and resid "66 " and name "HN ")) (( segid " " and resid "64 " and name "HB2 ")) 5.000 3.100 0.500 peak 675 weight 0.10000E+01 volume -0.71900E+00 ppm1 7.523 ppm2 2.053 OR { 675} (( segid " " and resid "66 " and name "HN ")) (( segid " " and resid "64 " and name "HB1 ")) ASSI { 677} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "56 " and name "HB2 ")) 5.000 3.100 0.500 peak 677 weight 0.10000E+01 volume -0.11230E+01 ppm1 7.662 ppm2 2.121 OR { 677} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "56 " and name "HB1 ")) ASSI { 680} (( segid " " and resid "19 " and name "HN ")) (( segid " " and resid "18 " and name "HB2 ")) 5.000 3.100 0.500 peak 680 weight 0.10000E+01 volume -0.21900E+00 ppm1 7.548 ppm2 2.056 ASSI { 682} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "57 " and name "HB1 ")) 5.500 3.800 0.000 peak 682 weight 0.10000E+01 volume 0.24510E+00 ppm1 7.655 ppm2 2.234 ASSI { 683} (( segid " " and resid "19 " and name "HN ")) (( segid " " and resid "18 " and name "HB1 ")) 5.500 3.800 0.000 peak 683 weight 0.10000E+01 volume 0.21070E+00 ppm1 7.552 ppm2 2.196 ASSI { 684} (( segid " " and resid "50 " and name "HN ")) (( segid " " and resid "45 " and name "HB2 ")) 5.000 3.100 0.500 peak 684 weight 0.10000E+01 volume -0.11720E+01 ppm1 7.473 ppm2 2.161 ASSI { 685} (( segid " " and resid "58 " and name "HN ")) (( segid " " and resid "57 " and name "HB1 ")) 5.000 3.100 0.500 peak 685 weight 0.10000E+01 volume -0.41200E+00 ppm1 7.283 ppm2 2.235 ASSI { 687} (( segid " " and resid "61 " and name "HN ")) (( segid " " and resid "61 " and name "HB ")) 5.000 3.100 0.500 peak 687 weight 0.10000E+01 volume -0.37300E+00 ppm1 7.299 ppm2 2.407 ASSI { 689} (( segid " " and resid "50 " and name "HN ")) (( segid " " and resid "45 " and name "HB1 ")) 5.500 3.800 0.000 peak 689 weight 0.10000E+01 volume 0.76000E-01 ppm1 7.473 ppm2 2.396 ASSI { 690} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "57 " and name "HG1 ")) 5.000 3.100 0.500 peak 690 weight 0.10000E+01 volume -0.31800E+00 ppm1 7.662 ppm2 2.358 ASSI { 692} (( segid " " and resid "50 " and name "HN ")) (( segid " " and resid "45 " and name "HG1 ")) 5.500 3.800 0.000 peak 692 weight 0.10000E+01 volume 0.75500E-01 ppm1 7.474 ppm2 2.493 OR { 692} (( segid " " and resid "50 " and name "HN ")) (( segid " " and resid "45 " and name "HG2 ")) ASSI { 695} (( segid " " and resid "36 " and name "HN ")) (( segid " " and resid "35 " and name "HB1 ")) 4.600 2.600 0.900 peak 695 weight 0.10000E+01 volume 0.15451E+01 ppm1 7.243 ppm2 2.722 ASSI { 697} (( segid " " and resid "35 " and name "HD1 ") OR ( segid " " and resid "35 " and name "HD2 ")) (( segid " " and resid "35 " and name "HB1 ")) 2.400 0.700 0.900 peak 697 weight 0.10000E+01 volume 0.71632E+02 ppm1 7.270 ppm2 2.722 ASSI { 700} (( segid " " and resid "20 " and name "HD21")) (( segid " " and resid "16 " and name "HB1 ")) 5.300 3.500 0.200 peak 700 weight 0.10000E+01 volume 0.66930E+00 ppm1 7.554 ppm2 2.786 ASSI { 701} (( segid " " and resid "35 " and name "HE1 ") OR ( segid " " and resid "35 " and name "HE2 ")) (( segid " " and resid "35 " and name "HB1 ")) 3.700 1.700 1.800 peak 701 weight 0.10000E+01 volume 0.56280E+01 ppm1 7.379 ppm2 2.726 ASSI { 702} (( segid " " and resid "36 " and name "HN ")) (( segid " " and resid "36 " and name "HB1 ")) 5.500 3.800 0.000 peak 702 weight 0.10000E+01 volume 0.18520E+00 ppm1 7.245 ppm2 2.878 ASSI { 711} (( segid " " and resid "35 " and name "HD1 ") OR ( segid " " and resid "35 " and name "HD2 ")) (( segid " " and resid "35 " and name "HB2 ")) 2.500 0.800 1.000 peak 711 weight 0.10000E+01 volume 0.57604E+02 ppm1 7.269 ppm2 3.280 ASSI { 715} (( segid " " and resid "35 " and name "HE1 ") OR ( segid " " and resid "35 " and name "HE2 ")) (( segid " " and resid "35 " and name "HB2 ")) 3.800 1.800 1.700 peak 715 weight 0.10000E+01 volume 0.52843E+01 ppm1 7.379 ppm2 3.283 ASSI { 722} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "57 " and name "HG2 ")) 5.500 3.800 0.000 peak 722 weight 0.10000E+01 volume 0.26630E+00 ppm1 7.661 ppm2 2.675 ASSI { 724} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "56 " and name "HD2 ")) 5.500 3.800 0.000 peak 724 weight 0.10000E+01 volume 0.10080E+00 ppm1 7.656 ppm2 3.956 OR { 724} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "56 " and name "HD1 ")) ASSI { 725} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "58 " and name "HB2 ")) 5.000 3.100 0.500 peak 725 weight 0.10000E+01 volume -0.65300E+00 ppm1 7.656 ppm2 4.034 ASSI { 726} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "56 " and name "HA ")) 5.000 3.100 0.500 peak 726 weight 0.10000E+01 volume -0.37000E+00 ppm1 7.664 ppm2 4.175 ASSI { 727} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "57 " and name "HA ")) 5.000 3.100 0.500 peak 727 weight 0.10000E+01 volume -0.10020E+01 ppm1 7.664 ppm2 4.285 ASSI { 729} (( segid " " and resid "19 " and name "HN ")) (( segid " " and resid "19 " and name "HA ")) 5.000 3.100 0.500 peak 729 weight 0.10000E+01 volume -0.92900E+00 ppm1 7.553 ppm2 4.247 ASSI { 730} (( segid " " and resid "66 " and name "HN ")) (( segid " " and resid "64 " and name "HA ")) 5.000 3.100 0.500 peak 730 weight 0.10000E+01 volume -0.19300E+00 ppm1 7.520 ppm2 4.226 ASSI { 731} (( segid " " and resid "66 " and name "HN ")) (( segid " " and resid "66 " and name "HA ")) 5.200 3.400 0.300 peak 731 weight 0.10000E+01 volume 0.78600E+00 ppm1 7.520 ppm2 4.113 ASSI { 732} (( segid " " and resid "50 " and name "HN ")) (( segid " " and resid "50 " and name "HA ")) 5.000 3.100 0.500 peak 732 weight 0.10000E+01 volume -0.76300E+00 ppm1 7.474 ppm2 4.177 ASSI { 733} (( segid " " and resid "50 " and name "HN ")) (( segid " " and resid "48 " and name "HA ")) 5.500 3.800 0.000 peak 733 weight 0.10000E+01 volume 0.23200E-01 ppm1 7.473 ppm2 4.059 ASSI { 734} (( segid " " and resid "66 " and name "HN ")) (( segid " " and resid "65 " and name "HA ")) 5.500 3.800 0.000 peak 734 weight 0.10000E+01 volume 0.17320E+00 ppm1 7.521 ppm2 3.907 ASSI { 735} (( segid " " and resid "50 " and name "HN ")) (( segid " " and resid "49 " and name "HA2 ")) 5.000 3.100 0.500 peak 735 weight 0.10000E+01 volume 0.97460E+00 ppm1 7.474 ppm2 3.916 ASSI { 736} (( segid " " and resid "61 " and name "HN ")) (( segid " " and resid "61 " and name "HA ")) 4.400 2.400 1.100 peak 736 weight 0.10000E+01 volume 0.19391E+01 ppm1 7.300 ppm2 3.896 ASSI { 737} (( segid " " and resid "58 " and name "HN ")) (( segid " " and resid "58 " and name "HB2 ")) 5.000 3.100 0.500 peak 737 weight 0.10000E+01 volume 0.93000E+00 ppm1 7.288 ppm2 4.034 ASSI { 738} (( segid " " and resid "61 " and name "HN ")) (( segid " " and resid "58 " and name "HB1 ")) 4.000 2.000 1.500 peak 738 weight 0.10000E+01 volume 0.33790E+01 ppm1 7.287 ppm2 4.139 ASSI { 739} (( segid " " and resid "61 " and name "HN ")) (( segid " " and resid "60 " and name "HA ")) 5.000 3.100 0.500 peak 739 weight 0.10000E+01 volume -0.73700E+00 ppm1 7.299 ppm2 4.207 ASSI { 741} (( segid " " and resid "58 " and name "HN ")) (( segid " " and resid "57 " and name "HA ")) 4.900 3.000 0.600 peak 741 weight 0.10000E+01 volume 0.11197E+01 ppm1 7.285 ppm2 4.285 ASSI { 742} (( segid " " and resid "24 " and name "HN ")) (( segid " " and resid "24 " and name "HA ")) 5.000 3.100 0.500 peak 742 weight 0.10000E+01 volume -0.84300E+00 ppm1 7.269 ppm2 4.417 ASSI { 746} (( segid " " and resid "58 " and name "HN ")) (( segid " " and resid "58 " and name "HA ")) 5.000 3.100 0.500 peak 746 weight 0.10000E+01 volume -0.22730E+01 ppm1 7.285 ppm2 4.496 ASSI { 747} (( segid " " and resid "24 " and name "HN ")) (( segid " " and resid "23 " and name "HA ")) 5.000 3.100 0.500 peak 747 weight 0.10000E+01 volume -0.50300E+00 ppm1 7.269 ppm2 4.532 ASSI { 749} (( segid " " and resid "35 " and name "HD1 ") OR ( segid " " and resid "35 " and name "HD2 ")) (( segid " " and resid "35 " and name "HA ")) 2.600 0.800 1.000 peak 749 weight 0.10000E+01 volume 0.47567E+02 ppm1 7.268 ppm2 4.668 ASSI { 751} (( segid " " and resid "36 " and name "HN ")) (( segid " " and resid "35 " and name "HA ")) 5.000 3.100 0.500 peak 751 weight 0.10000E+01 volume -0.36610E+01 ppm1 7.244 ppm2 4.670 ASSI { 754} (( segid " " and resid "36 " and name "HN ")) (( segid " " and resid "9 " and name "HA ")) 3.400 1.400 1.600 peak 754 weight 0.10000E+01 volume 0.88728E+01 ppm1 7.236 ppm2 4.728 ASSI { 757} (( segid " " and resid "36 " and name "HN ")) (( segid " " and resid "37 " and name "HA ")) 5.500 3.800 0.000 peak 757 weight 0.10000E+01 volume 0.12250E+00 ppm1 7.244 ppm2 4.864 ASSI { 758} (( segid " " and resid "24 " and name "HN ")) (( segid " " and resid "45 " and name "HA ")) 5.000 3.100 0.500 peak 758 weight 0.10000E+01 volume -0.60000E-02 ppm1 7.267 ppm2 4.925 ASSI { 760} (( segid " " and resid "36 " and name "HN ")) (( segid " " and resid "36 " and name "HA ")) 5.100 3.300 0.400 peak 760 weight 0.10000E+01 volume 0.79920E+00 ppm1 7.245 ppm2 5.135 ASSI { 761} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "11 " and name "HN ")) 5.000 3.100 0.500 peak 761 weight 0.10000E+01 volume -0.11410E+01 ppm1 10.471 ppm2 9.358 ASSI { 762} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "42 " and name "HN ")) 5.000 3.100 0.500 peak 762 weight 0.10000E+01 volume -0.20000E-02 ppm1 9.643 ppm2 9.199 ASSI { 763} (( segid " " and resid "43 " and name "HN ")) (( segid " " and resid "42 " and name "HN ")) 5.500 3.800 0.000 peak 763 weight 0.10000E+01 volume 0.10180E+00 ppm1 9.498 ppm2 9.200 ASSI { 765} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "52 " and name "HN ")) 5.000 3.100 0.500 peak 765 weight 0.10000E+01 volume -0.97000E-01 ppm1 9.270 ppm2 9.068 ASSI { 766} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "42 " and name "HN ")) 4.800 2.900 0.700 peak 766 weight 0.10000E+01 volume 0.12044E+01 ppm1 9.299 ppm2 9.207 ASSI { 767} (( segid " " and resid "43 " and name "HN ")) (( segid " " and resid "54 " and name "HN ")) 5.000 3.100 0.500 peak 767 weight 0.10000E+01 volume -0.17100E+00 ppm1 9.502 ppm2 8.891 ASSI { 768} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "54 " and name "HN ")) 5.000 3.100 0.500 peak 768 weight 0.10000E+01 volume -0.30000E-01 ppm1 9.304 ppm2 8.895 ASSI { 769} (( segid " " and resid "11 " and name "HN ")) (( segid " " and resid "12 " and name "HN ")) 5.500 3.800 0.000 peak 769 weight 0.10000E+01 volume 0.13610E+00 ppm1 9.360 ppm2 8.677 ASSI { 770} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "44 " and name "HN ")) 5.000 3.100 0.500 peak 770 weight 0.10000E+01 volume -0.84000E-01 ppm1 9.392 ppm2 8.560 ASSI { 771} (( segid " " and resid "43 " and name "HN ")) (( segid " " and resid "44 " and name "HN ")) 5.000 3.100 0.500 peak 771 weight 0.10000E+01 volume -0.44000E-01 ppm1 9.498 ppm2 8.558 ASSI { 773} (( segid " " and resid "30 " and name "HN ")) (( segid " " and resid "29 " and name "HN ")) 5.000 3.100 0.500 peak 773 weight 0.10000E+01 volume -0.17000E-01 ppm1 9.639 ppm2 8.448 ASSI { 775} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "44 " and name "HN ")) 5.500 3.800 0.000 peak 775 weight 0.10000E+01 volume 0.19930E+00 ppm1 9.274 ppm2 8.557 ASSI { 776} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "28 " and name "HN ")) 5.000 3.100 0.500 peak 776 weight 0.10000E+01 volume -0.46400E+00 ppm1 9.208 ppm2 8.482 ASSI { 777} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "46 " and name "HN ")) 5.000 3.100 0.500 peak 777 weight 0.10000E+01 volume -0.52600E+00 ppm1 9.395 ppm2 8.227 ASSI { 778} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "46 " and name "HN ")) 5.500 3.800 0.000 peak 778 weight 0.10000E+01 volume 0.31900E-01 ppm1 9.277 ppm2 8.227 ASSI { 779} (( segid " " and resid "59 " and name "HN ")) (( segid " " and resid "60 " and name "HN ")) 5.300 3.500 0.200 peak 779 weight 0.10000E+01 volume 0.66360E+00 ppm1 9.123 ppm2 8.214 ASSI { 780} (( segid " " and resid "52 " and name "HN ")) (( segid " " and resid "51 " and name "HN ")) 5.000 3.100 0.500 peak 780 weight 0.10000E+01 volume -0.32500E+00 ppm1 9.073 ppm2 8.480 ASSI { 781} (( segid " " and resid "53 " and name "HN ")) (( segid " " and resid "15 " and name "HN ")) 5.500 3.800 0.000 peak 781 weight 0.10000E+01 volume 0.43570E+00 ppm1 9.088 ppm2 8.699 ASSI { 783} (( segid " " and resid "53 " and name "HN ")) (( segid " " and resid "54 " and name "HN ")) 4.600 2.600 0.900 peak 783 weight 0.10000E+01 volume 0.16065E+01 ppm1 9.081 ppm2 8.894 ASSI { 784} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "26 " and name "HN ")) 5.000 3.100 0.500 peak 784 weight 0.10000E+01 volume -0.38700E+00 ppm1 9.399 ppm2 7.767 ASSI { 785} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "50 " and name "HN ")) 5.000 3.100 0.500 peak 785 weight 0.10000E+01 volume -0.18400E+00 ppm1 9.275 ppm2 7.472 ASSI { 788} (( segid " " and resid "33 " and name "HN ")) (( segid " " and resid "35 " and name "HN ")) 5.500 3.800 0.000 peak 788 weight 0.10000E+01 volume 0.28050E+00 ppm1 8.855 ppm2 7.716 ASSI { 789} (( segid " " and resid "34 " and name "HN ")) (( segid " " and resid "35 " and name "HN ")) 5.000 3.100 0.500 peak 789 weight 0.10000E+01 volume -0.46100E+00 ppm1 8.814 ppm2 7.716 ASSI { 790} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "13 " and name "HN ")) 5.000 3.100 0.500 peak 790 weight 0.10000E+01 volume -0.50000E-01 ppm1 8.681 ppm2 7.795 ASSI { 791} (( segid " " and resid "33 " and name "HN ")) (( segid " " and resid "38 " and name "HN ")) 5.000 3.100 0.500 peak 791 weight 0.10000E+01 volume -0.51300E+00 ppm1 8.855 ppm2 7.917 ASSI { 792} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "17 " and name "HN ")) 5.000 3.100 0.500 peak 792 weight 0.10000E+01 volume -0.64000E-01 ppm1 8.959 ppm2 7.928 ASSI { 794} (( segid " " and resid "54 " and name "HN ")) (( segid " " and resid "55 " and name "HN ")) 5.500 3.800 0.000 peak 794 weight 0.10000E+01 volume 0.20080E+00 ppm1 8.898 ppm2 8.476 ASSI { 795} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "15 " and name "HN ")) 5.500 3.800 0.000 peak 795 weight 0.10000E+01 volume 0.40260E+00 ppm1 8.968 ppm2 8.700 ASSI { 796} (( segid " " and resid "54 " and name "HN ")) (( segid " " and resid "15 " and name "HN ")) 5.500 3.800 0.000 peak 796 weight 0.10000E+01 volume 0.18600E-01 ppm1 8.897 ppm2 8.699 ASSI { 797} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "24 " and name "HN ")) 5.000 3.100 0.500 peak 797 weight 0.10000E+01 volume -0.19200E+00 ppm1 9.395 ppm2 7.269 ASSI { 798} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "20 " and name "HD22")) 5.000 3.100 0.500 peak 798 weight 0.10000E+01 volume -0.35000E-01 ppm1 8.957 ppm2 6.956 ASSI { 799} (( segid " " and resid "59 " and name "HN ")) (( segid " " and resid "61 " and name "HN ")) 5.000 3.100 0.500 peak 799 weight 0.10000E+01 volume -0.29500E+00 ppm1 9.123 ppm2 7.289 ASSI { 800} (( segid " " and resid "33 " and name "HN ")) (( segid " " and resid "36 " and name "HN ")) 5.000 3.100 0.500 peak 800 weight 0.10000E+01 volume -0.63000E+00 ppm1 8.854 ppm2 7.242 ASSI { 801} (( segid " " and resid "34 " and name "HN ")) (( segid " " and resid "36 " and name "HN ")) 5.000 3.100 0.500 peak 801 weight 0.10000E+01 volume -0.35000E+00 ppm1 8.814 ppm2 7.249 ASSI { 802} (( segid " " and resid "15 " and name "HN ")) (( segid " " and resid "14 " and name "HN ")) 4.800 2.900 0.700 peak 802 weight 0.10000E+01 volume 0.12347E+01 ppm1 8.701 ppm2 8.487 ASSI { 805} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "47 " and name "HN ")) 5.500 3.800 0.000 peak 805 weight 0.10000E+01 volume 0.18850E+00 ppm1 8.663 ppm2 8.160 ASSI { 808} (( segid " " and resid "44 " and name "HN ")) (( segid " " and resid "26 " and name "HN ")) 5.300 3.500 0.200 peak 808 weight 0.10000E+01 volume 0.65780E+00 ppm1 8.563 ppm2 7.767 ASSI { 809} (( segid " " and resid "14 " and name "HN ")) (( segid " " and resid "13 " and name "HN ")) 5.500 3.800 0.000 peak 809 weight 0.10000E+01 volume 0.38330E+00 ppm1 8.499 ppm2 7.795 ASSI { 814} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "23 " and name "HN ")) 5.000 3.100 0.500 peak 814 weight 0.10000E+01 volume -0.26700E+00 ppm1 8.552 ppm2 8.093 ASSI { 815} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "50 " and name "HN ")) 5.000 3.100 0.500 peak 815 weight 0.10000E+01 volume -0.70100E+00 ppm1 8.662 ppm2 7.471 ASSI { 816} (( segid " " and resid "51 " and name "HN ")) (( segid " " and resid "50 " and name "HN ")) 5.000 3.100 0.500 peak 816 weight 0.10000E+01 volume -0.16100E+00 ppm1 8.484 ppm2 7.472 ASSI { 817} (( segid " " and resid "62 " and name "HN ")) (( segid " " and resid "61 " and name "HN ")) 5.000 3.100 0.500 peak 817 weight 0.10000E+01 volume -0.50100E+00 ppm1 8.309 ppm2 7.297 ASSI { 818} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "66 " and name "HN ")) 5.000 3.100 0.500 peak 818 weight 0.10000E+01 volume -0.58900E+00 ppm1 8.298 ppm2 7.519 ASSI { 819} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "67 " and name "HN ")) 5.500 3.800 0.000 peak 819 weight 0.10000E+01 volume 0.43290E+00 ppm1 8.298 ppm2 7.796 ASSI { 820} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "64 " and name "HN ")) 5.000 3.100 0.500 peak 820 weight 0.10000E+01 volume -0.73000E-01 ppm1 8.299 ppm2 7.749 ASSI { 821} (( segid " " and resid "62 " and name "HN ")) (( segid " " and resid "63 " and name "HN ")) 5.400 3.600 0.100 peak 821 weight 0.10000E+01 volume 0.62970E+00 ppm1 8.309 ppm2 8.053 ASSI { 822} (( segid " " and resid "39 " and name "HN ")) (( segid " " and resid "38 " and name "HN ")) 5.500 3.800 0.000 peak 822 weight 0.10000E+01 volume 0.81000E-02 ppm1 8.256 ppm2 7.918 ASSI { 824} (( segid " " and resid "68 " and name "HN ")) (( segid " " and resid "69 " and name "HN ")) 5.500 3.800 0.000 peak 824 weight 0.10000E+01 volume 0.48900E+00 ppm1 8.087 ppm2 7.945 ASSI { 825} (( segid " " and resid "60 " and name "HN ")) (( segid " " and resid "63 " and name "HN ")) 5.500 3.800 0.000 peak 825 weight 0.10000E+01 volume 0.14980E+00 ppm1 8.213 ppm2 8.068 ASSI { 826} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "67 " and name "HN ")) 5.000 3.100 0.500 peak 826 weight 0.10000E+01 volume -0.10000E-01 ppm1 8.059 ppm2 7.800 ASSI { 827} (( segid " " and resid "68 " and name "HN ")) (( segid " " and resid "67 " and name "HN ")) 5.000 3.100 0.500 peak 827 weight 0.10000E+01 volume -0.15000E-01 ppm1 8.086 ppm2 7.799 ASSI { 828} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "64 " and name "HN ")) 5.500 3.800 0.000 peak 828 weight 0.10000E+01 volume 0.11000E+00 ppm1 8.056 ppm2 7.750 ASSI { 830} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "66 " and name "HN ")) 5.000 3.100 0.500 peak 830 weight 0.10000E+01 volume -0.72200E+00 ppm1 8.061 ppm2 7.510 ASSI { 832} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "26 " and name "HN ")) 5.500 3.800 0.000 peak 832 weight 0.10000E+01 volume 0.34150E+00 ppm1 8.225 ppm2 7.760 ASSI { 835} (( segid " " and resid "69 " and name "HN ")) (( segid " " and resid "66 " and name "HN ")) 5.500 3.800 0.000 peak 835 weight 0.10000E+01 volume 0.78000E-01 ppm1 7.950 ppm2 7.518 ASSI { 837} (( segid " " and resid "60 " and name "HN ")) (( segid " " and resid "61 " and name "HN ")) 5.000 3.100 0.500 peak 837 weight 0.10000E+01 volume -0.22000E-01 ppm1 8.216 ppm2 7.297 ASSI { 838} (( segid " " and resid "47 " and name "HN ")) (( segid " " and resid "24 " and name "HN ")) 5.000 3.100 0.500 peak 838 weight 0.10000E+01 volume -0.22000E-01 ppm1 8.155 ppm2 7.272 ASSI { 840} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "24 " and name "HN ")) 5.000 3.100 0.500 peak 840 weight 0.10000E+01 volume -0.72000E-01 ppm1 8.093 ppm2 7.270 ASSI { 841} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "61 " and name "HN ")) 5.500 3.800 0.000 peak 841 weight 0.10000E+01 volume 0.44810E+00 ppm1 8.055 ppm2 7.298 ASSI { 844} (( segid " " and resid "49 " and name "HN ")) (( segid " " and resid "50 " and name "HN ")) 5.500 3.800 0.000 peak 844 weight 0.10000E+01 volume 0.28170E+00 ppm1 7.827 ppm2 7.470 ASSI { 845} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "66 " and name "HN ")) 5.000 3.100 0.500 peak 845 weight 0.10000E+01 volume -0.67000E-01 ppm1 7.801 ppm2 7.519 ASSI { 851} (( segid " " and resid "20 " and name "HD21")) (( segid " " and resid "20 " and name "HD22")) 4.700 4.700 0.000 peak 851 weight 0.10000E+01 volume 0.13927E+01 ppm1 7.554 ppm2 6.954 ASSI { 854} (( segid " " and resid "57 " and name "HN ")) (( segid " " and resid "58 " and name "HN ")) 4.600 2.600 0.900 peak 854 weight 0.10000E+01 volume 0.16255E+01 ppm1 7.662 ppm2 7.284 ASSI { 857} (( segid " " and resid "35 " and name "HE1 ") OR ( segid " " and resid "35 " and name "HE2 ")) (( segid " " and resid "35 " and name "HZ ")) 2.100 0.600 0.800 peak 857 weight 0.10000E+01 volume 0.16899E+03 ppm1 7.378 ppm2 7.299 ASSI { 858} (( segid " " and resid "35 " and name "HE1 ") OR ( segid " " and resid "35 " and name "HE2 ")) (( segid " " and resid "35 " and name "HD1 ") OR ( segid " " and resid "35 " and name "HD2 ")) 1.900 0.500 0.700 peak 858 weight 0.10000E+01 volume 0.34385E+03 ppm1 7.377 ppm2 7.266 ASSI { 864} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "9 " and name "HN ")) 5.500 3.800 0.000 peak 864 weight 0.10000E+01 volume 0.16500E+00 ppm1 10.472 ppm2 8.045 ASSI { 865} (( segid " " and resid "25 " and name "HN ")) (( segid " " and resid "26 " and name "HA ")) 5.500 3.800 0.000 peak 865 weight 0.10000E+01 volume 0.44990E+00 ppm1 9.394 ppm2 5.131 ASSI { 866} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "53 " and name "HA ")) 5.000 3.100 0.500 peak 866 weight 0.10000E+01 volume -0.21400E+00 ppm1 9.300 ppm2 5.799 ASSI { 867} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "53 " and name "HA ")) 5.500 3.800 0.000 peak 867 weight 0.10000E+01 volume 0.14200E-01 ppm1 9.208 ppm2 5.798 ASSI { 874} (( segid " " and resid "27 " and name "HA ")) (( segid " " and resid "43 " and name "HA ")) 2.000 0.500 0.700 peak 874 weight 0.10000E+01 volume 0.21003E+03 ppm1 5.402 ppm2 5.025 ASSI { 876} (( segid " " and resid "27 " and name "HA ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) 2.100 0.600 0.800 peak 876 weight 0.10000E+01 volume 0.17391E+03 ppm1 5.402 ppm2 0.762 OR { 876} (( segid " " and resid "27 " and name "HA ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) ASSI { 877} (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) (( segid " " and resid "24 " and name "HA ")) 2.400 0.700 0.900 peak 877 weight 0.10000E+01 volume 0.78990E+02 ppm1 0.765 ppm2 4.421 OR { 877} (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) (( segid " " and resid "24 " and name "HA ")) ASSI { 878} (( segid " " and resid "19 " and name "HG21") OR ( segid " " and resid "19 " and name "HG23") OR ( segid " " and resid "19 " and name "HG22")) (( segid " " and resid "19 " and name "HA ")) 1.900 0.500 0.700 peak 878 weight 0.10000E+01 volume 0.27834E+03 ppm1 0.764 ppm2 4.241 ASSI { 881} (( segid " " and resid "53 " and name "HA ")) (( segid " " and resid "54 " and name "HA ")) 5.100 3.300 0.400 peak 881 weight 0.10000E+01 volume 0.84040E+00 ppm1 5.803 ppm2 5.021 ASSI { 882} (( segid " " and resid "53 " and name "HA ")) (( segid " " and resid "52 " and name "HA ")) 3.300 1.400 1.600 peak 882 weight 0.10000E+01 volume 0.11616E+02 ppm1 5.806 ppm2 4.639 ASSI { 883} (( segid " " and resid "53 " and name "HA ")) (( segid " " and resid "42 " and name "HA ")) 2.100 0.600 0.800 peak 883 weight 0.10000E+01 volume 0.15223E+03 ppm1 5.802 ppm2 4.579 ASSI { 884} (( segid " " and resid "53 " and name "HA ")) (( segid " " and resid "54 " and name "HG ")) 3.300 1.400 1.600 peak 884 weight 0.10000E+01 volume 0.11015E+02 ppm1 5.801 ppm2 1.647 ASSI { 887} (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) (( segid " " and resid "40 " and name "HN ")) 4.300 2.300 1.200 peak 887 weight 0.10000E+01 volume 0.24910E+01 ppm1 0.829 ppm2 8.412 ASSI { 888} (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) (( segid " " and resid "39 " and name "HN ")) 4.600 2.600 0.900 peak 888 weight 0.10000E+01 volume 0.16204E+01 ppm1 0.826 ppm2 8.254 ASSI { 890} (( segid " " and resid "7 " and name "HN ")) (( segid " " and resid "7 " and name "HG11") OR ( segid " " and resid "7 " and name "HG13") OR ( segid " " and resid "7 " and name "HG12")) 5.000 3.100 0.500 peak 890 weight 0.10000E+01 volume -0.34400E+00 ppm1 8.060 ppm2 0.957 ASSI { 897} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "20 " and name "HA ")) 4.600 2.600 0.900 peak 897 weight 0.10000E+01 volume 0.16089E+01 ppm1 8.550 ppm2 4.925 ASSI { 899} (( segid " " and resid "35 " and name "HD1 ") OR ( segid " " and resid "35 " and name "HD2 ")) (( segid " " and resid "35 " and name "HN ")) 5.000 3.100 0.500 peak 899 weight 0.10000E+01 volume -0.98100E+00 ppm1 7.270 ppm2 7.717 ASSI { 901} (( segid " " and resid "36 " and name "HN ")) (( segid " " and resid "35 " and name "HN ")) 5.000 3.100 0.500 peak 901 weight 0.10000E+01 volume -0.10830E+01 ppm1 7.246 ppm2 7.716 ASSI { 910} (( segid " " and resid "27 " and name "HA ")) (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) 4.100 2.100 1.400 peak 910 weight 0.10000E+01 volume 0.31608E+01 ppm1 5.399 ppm2 0.837 OR { 910} (( segid " " and resid "27 " and name "HA ")) (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) ASSI { 917} (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) (( segid " " and resid "26 " and name "HN ")) 5.000 3.100 0.500 peak 917 weight 0.10000E+01 volume -0.18200E+00 ppm1 3.138 ppm2 7.768 ASSI { 920} (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) (( segid " " and resid "26 " and name "HB1 ")) 2.700 0.900 1.100 peak 920 weight 0.10000E+01 volume 0.38249E+02 ppm1 3.138 ppm2 1.790 ASSI { 921} (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) (( segid " " and resid "24 " and name "HB1 ")) 3.600 1.600 1.800 peak 921 weight 0.10000E+01 volume 0.73954E+01 ppm1 3.137 ppm2 1.685 OR { 921} (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) (( segid " " and resid "24 " and name "HB2 ")) ASSI { 925} (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) (( segid " " and resid "27 " and name "HG ")) 3.100 1.200 1.400 peak 925 weight 0.10000E+01 volume 0.15491E+02 ppm1 3.137 ppm2 1.309 ASSI { 928} (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) 5.400 3.600 0.100 peak 928 weight 0.10000E+01 volume 0.62750E+00 ppm1 3.135 ppm2 0.838 OR { 928} (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) ASSI { 931} (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) (( segid " " and resid "43 " and name "HA ")) 1.900 0.500 0.700 peak 931 weight 0.10000E+01 volume 0.32756E+03 ppm1 0.765 ppm2 5.020 ASSI { 932} (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) (( segid " " and resid "41 " and name "HA ")) 2.400 2.400 2.100 peak 932 weight 0.10000E+01 volume 0.73480E+02 ppm1 0.765 ppm2 4.848 OR { 932} (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) (( segid " " and resid "41 " and name "HA ")) ASSI { 934} (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) (( segid " " and resid "64 " and name "HG ")) 1.900 0.500 0.700 peak 934 weight 0.10000E+01 volume 0.28967E+03 ppm1 0.765 ppm2 1.591 ASSI { 939} (( segid " " and resid "28 " and name "HB2 ")) (( segid " " and resid "42 " and name "HN ")) 5.000 3.100 0.500 peak 939 weight 0.10000E+01 volume -0.69400E+00 ppm1 2.031 ppm2 9.201 ASSI { 945} (( segid " " and resid "29 " and name "HN ")) (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) 5.500 3.800 0.000 peak 945 weight 0.10000E+01 volume 0.91500E-01 ppm1 8.452 ppm2 3.140 ASSI { 946} (( segid " " and resid "29 " and name "HB ")) (( segid " " and resid "29 " and name "HD11") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD12")) 1.800 0.400 0.600 peak 946 weight 0.10000E+01 volume 0.41112E+03 ppm1 1.752 ppm2 0.735 ASSI { 948} (( segid " " and resid "29 " and name "HD11") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD12")) (( segid " " and resid "30 " and name "HN ")) 4.700 2.800 0.800 peak 948 weight 0.10000E+01 volume 0.13009E+01 ppm1 0.738 ppm2 9.637 ASSI { 954} (( segid " " and resid "36 " and name "HN ")) (( segid " " and resid "37 " and name "HD2 ")) 5.000 3.100 0.500 peak 954 weight 0.10000E+01 volume -0.26500E+00 ppm1 7.242 ppm2 3.657 ASSI { 955} (( segid " " and resid "36 " and name "HN ")) (( segid " " and resid "37 " and name "HD1 ")) 5.000 3.100 0.500 peak 955 weight 0.10000E+01 volume -0.81000E-01 ppm1 7.244 ppm2 3.699 ASSI { 957} (( segid " " and resid "36 " and name "HN ")) (( segid " " and resid "34 " and name "HA ")) 5.000 3.100 0.500 peak 957 weight 0.10000E+01 volume -0.18900E+00 ppm1 7.248 ppm2 3.977 ASSI { 959} (( segid " " and resid "33 " and name "HN ")) (( segid " " and resid "36 " and name "HA ")) 5.500 3.800 0.000 peak 959 weight 0.10000E+01 volume 0.26370E+00 ppm1 8.855 ppm2 5.134 ASSI { 968} (( segid " " and resid "37 " and name "HD1 ")) (( segid " " and resid "36 " and name "HA ")) 2.200 0.600 0.800 peak 968 weight 0.10000E+01 volume 0.13068E+03 ppm1 3.704 ppm2 5.134 ASSI { 969} (( segid " " and resid "37 " and name "HD1 ")) (( segid " " and resid "7 " and name "HG11") OR ( segid " " and resid "7 " and name "HG13") OR ( segid " " and resid "7 " and name "HG12")) 2.900 1.100 1.300 peak 969 weight 0.10000E+01 volume 0.24446E+02 ppm1 3.706 ppm2 0.952 ASSI { 970} (( segid " " and resid "37 " and name "HD2 ")) (( segid " " and resid "7 " and name "HG11") OR ( segid " " and resid "7 " and name "HG13") OR ( segid " " and resid "7 " and name "HG12")) 3.400 1.400 1.600 peak 970 weight 0.10000E+01 volume 0.10182E+02 ppm1 3.661 ppm2 0.953 ASSI { 978} (( segid " " and resid "40 " and name "HN ")) (( segid " " and resid "41 " and name "HN ")) 5.000 3.100 0.500 peak 978 weight 0.10000E+01 volume -0.52000E-01 ppm1 8.415 ppm2 9.303 ASSI { 979} (( segid " " and resid "40 " and name "HN ")) (( segid " " and resid "30 " and name "HN ")) 5.100 3.300 0.400 peak 979 weight 0.10000E+01 volume 0.88590E+00 ppm1 8.418 ppm2 9.638 ASSI { 984} (( segid " " and resid "43 " and name "HN ")) (( segid " " and resid "27 " and name "HA ")) 5.000 3.100 0.500 peak 984 weight 0.10000E+01 volume -0.12300E+00 ppm1 9.499 ppm2 5.398 ASSI { 986} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "46 " and name "HA ")) 5.500 3.800 0.000 peak 986 weight 0.10000E+01 volume 0.57100E-01 ppm1 9.279 ppm2 4.021 ASSI { 988} (( segid " " and resid "45 " and name "HN ")) (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) 5.000 3.100 0.500 peak 988 weight 0.10000E+01 volume -0.25000E-01 ppm1 9.274 ppm2 1.292 ASSI { 993} (( segid " " and resid "49 " and name "HN ")) (( segid " " and resid "48 " and name "HN ")) 5.000 3.100 0.500 peak 993 weight 0.10000E+01 volume -0.18500E+00 ppm1 7.827 ppm2 8.662 ASSI { 994} (( segid " " and resid "49 " and name "HN ")) (( segid " " and resid "47 " and name "HN ")) 5.000 3.100 0.500 peak 994 weight 0.10000E+01 volume -0.11300E+00 ppm1 7.829 ppm2 8.159 ASSI { 1002} (( segid " " and resid "52 " and name "HN ")) (( segid " " and resid "43 " and name "HN ")) 5.000 3.100 0.500 peak 1002 weight 0.10000E+01 volume -0.54900E+00 ppm1 9.072 ppm2 9.496 ASSI { 1008} (( segid " " and resid "58 " and name "HB1 ")) (( segid " " and resid "58 " and name "HN ")) 4.100 2.100 1.400 peak 1008 weight 0.10000E+01 volume 0.30691E+01 ppm1 4.142 ppm2 7.285 ASSI { 1022} (( segid " " and resid "53 " and name "HA ")) (( segid " " and resid "53 " and name "HB2 ")) 3.000 1.100 1.300 peak 1022 weight 0.10000E+01 volume 0.21626E+02 ppm1 5.811 ppm2 4.200 ASSI { 1023} (( segid " " and resid "51 " and name "HA ")) (( segid " " and resid "44 " and name "HA ")) 2.100 0.600 0.800 peak 1023 weight 0.10000E+01 volume 0.18668E+03 ppm1 5.347 ppm2 4.809 ASSI { 1027} (( segid " " and resid "58 " and name "HB1 ")) (( segid " " and resid "58 " and name "HA ")) 2.100 0.600 0.800 peak 1027 weight 0.10000E+01 volume 0.17181E+03 ppm1 4.139 ppm2 4.497 ASSI { 1032} (( segid " " and resid "31 " and name "HD1 ")) (( segid " " and resid "30 " and name "HA ")) 2.900 1.100 1.300 peak 1032 weight 0.10000E+01 volume 0.24804E+02 ppm1 4.048 ppm2 4.684 ASSI { 1033} (( segid " " and resid "21 " and name "HD2 ")) (( segid " " and resid "20 " and name "HA ")) 1.900 0.500 0.700 peak 1033 weight 0.10000E+01 volume 0.27749E+03 ppm1 4.010 ppm2 4.925 ASSI { 1034} (( segid " " and resid "15 " and name "HB2 ")) (( segid " " and resid "15 " and name "HA ")) 2.400 0.700 0.900 peak 1034 weight 0.10000E+01 volume 0.86606E+02 ppm1 3.999 ppm2 4.635 ASSI { 1035} (( segid " " and resid "23 " and name "HB1 ")) (( segid " " and resid "23 " and name "HA ")) 2.400 0.700 0.900 peak 1035 weight 0.10000E+01 volume 0.70838E+02 ppm1 4.001 ppm2 4.533 OR { 1035} (( segid " " and resid "23 " and name "HB2 ")) (( segid " " and resid "23 " and name "HA ")) ASSI { 1037} (( segid " " and resid "69 " and name "HB2 ")) (( segid " " and resid "69 " and name "HA ")) 2.200 0.600 0.800 peak 1037 weight 0.10000E+01 volume 0.13633E+03 ppm1 4.009 ppm2 4.342 OR { 1037} (( segid " " and resid "69 " and name "HB1 ")) (( segid " " and resid "69 " and name "HA ")) ASSI { 1039} (( segid " " and resid "58 " and name "HB2 ")) (( segid " " and resid "58 " and name "HB1 ")) 1.700 0.400 0.600 peak 1039 weight 0.10000E+01 volume 0.60328E+03 ppm1 4.034 ppm2 4.138 ASSI { 1042} (( segid " " and resid "61 " and name "HA ")) (( segid " " and resid "20 " and name "HA ")) 2.000 2.000 2.500 peak 1042 weight 0.10000E+01 volume 0.25926E+03 ppm1 3.896 ppm2 4.925 ASSI { 1044} (( segid " " and resid "49 " and name "HA2 ")) (( segid " " and resid "50 " and name "HA ")) 1.700 1.700 2.800 peak 1044 weight 0.10000E+01 volume 0.54710E+03 ppm1 3.917 ppm2 4.169 OR { 1044} (( segid " " and resid "49 " and name "HA1 ")) (( segid " " and resid "50 " and name "HA ")) ASSI { 1046} (( segid " " and resid "13 " and name "HB1 ")) (( segid " " and resid "13 " and name "HA ")) 2.100 0.600 0.800 peak 1046 weight 0.10000E+01 volume 0.16609E+03 ppm1 3.803 ppm2 4.617 OR { 1046} (( segid " " and resid "13 " and name "HB2 ")) (( segid " " and resid "13 " and name "HA ")) ASSI { 1048} (( segid " " and resid "15 " and name "HB1 ")) (( segid " " and resid "15 " and name "HA ")) 2.300 0.700 0.900 peak 1048 weight 0.10000E+01 volume 0.95530E+02 ppm1 3.840 ppm2 4.627 ASSI { 1052} (( segid " " and resid "53 " and name "HB1 ")) (( segid " " and resid "53 " and name "HB2 ")) 2.200 0.600 0.800 peak 1052 weight 0.10000E+01 volume 0.13671E+03 ppm1 3.281 ppm2 4.199 ASSI { 1054} (( segid " " and resid "11 " and name "HB1 ")) (( segid " " and resid "11 " and name "HA ")) 3.100 1.200 1.400 peak 1054 weight 0.10000E+01 volume 0.17185E+02 ppm1 3.276 ppm2 4.568 ASSI { 1055} (( segid " " and resid "35 " and name "HB2 ")) (( segid " " and resid "35 " and name "HA ")) 2.800 1.000 1.200 peak 1055 weight 0.10000E+01 volume 0.32599E+02 ppm1 3.289 ppm2 4.670 ASSI { 1058} (( segid " " and resid "36 " and name "HB2 ")) (( segid " " and resid "36 " and name "HA ")) 2.600 0.800 1.000 peak 1058 weight 0.10000E+01 volume 0.43612E+02 ppm1 3.310 ppm2 5.135 ASSI { 1059} (( segid " " and resid "35 " and name "HB2 ")) (( segid " " and resid "36 " and name "HA ")) 3.100 1.200 1.400 peak 1059 weight 0.10000E+01 volume 0.16500E+02 ppm1 3.292 ppm2 5.131 ASSI { 1078} (( segid " " and resid "36 " and name "HB1 ")) (( segid " " and resid "9 " and name "HA ")) 4.100 2.100 1.400 peak 1078 weight 0.10000E+01 volume 0.31376E+01 ppm1 2.886 ppm2 4.707 ASSI { 1083} (( segid " " and resid "20 " and name "HB1 ")) (( segid " " and resid "20 " and name "HA ")) 2.400 0.700 0.900 peak 1083 weight 0.10000E+01 volume 0.75041E+02 ppm1 2.917 ppm2 4.923 ASSI { 1084} (( segid " " and resid "36 " and name "HB1 ")) (( segid " " and resid "36 " and name "HA ")) 2.500 0.800 1.000 peak 1084 weight 0.10000E+01 volume 0.67651E+02 ppm1 2.885 ppm2 5.134 ASSI { 1087} (( segid " " and resid "20 " and name "HB2 ")) (( segid " " and resid "19 " and name "HA ")) 3.500 1.500 1.700 peak 1087 weight 0.10000E+01 volume 0.85237E+01 ppm1 2.820 ppm2 4.246 ASSI { 1088} (( segid " " and resid "20 " and name "HB2 ")) (( segid " " and resid "60 " and name "HA ")) 3.300 1.400 1.600 peak 1088 weight 0.10000E+01 volume 0.12560E+02 ppm1 2.814 ppm2 4.210 ASSI { 1092} (( segid " " and resid "20 " and name "HB2 ")) (( segid " " and resid "20 " and name "HA ")) 2.300 0.700 0.900 peak 1092 weight 0.10000E+01 volume 0.99273E+02 ppm1 2.819 ppm2 4.925 ASSI { 1095} (( segid " " and resid "16 " and name "HB1 ")) (( segid " " and resid "16 " and name "HA ")) 2.600 0.800 1.000 peak 1095 weight 0.10000E+01 volume 0.45713E+02 ppm1 2.790 ppm2 4.965 ASSI { 1100} (( segid " " and resid "11 " and name "HB2 ")) (( segid " " and resid "11 " and name "HA ")) 2.500 0.800 1.000 peak 1100 weight 0.10000E+01 volume 0.54747E+02 ppm1 2.768 ppm2 4.568 ASSI { 1108} (( segid " " and resid "35 " and name "HB1 ")) (( segid " " and resid "35 " and name "HA ")) 2.800 1.000 1.200 peak 1108 weight 0.10000E+01 volume 0.32557E+02 ppm1 2.723 ppm2 4.670 ASSI { 1121} (( segid " " and resid "40 " and name "HG2 ")) (( segid " " and resid "9 " and name "HA ")) 4.000 2.000 1.500 peak 1121 weight 0.10000E+01 volume 0.35015E+01 ppm1 2.558 ppm2 4.728 OR { 1121} (( segid " " and resid "40 " and name "HG1 ")) (( segid " " and resid "9 " and name "HA ")) ASSI { 1123} (( segid " " and resid "45 " and name "HG1 ")) (( segid " " and resid "44 " and name "HA ")) 3.600 1.600 1.800 peak 1123 weight 0.10000E+01 volume 0.72486E+01 ppm1 2.499 ppm2 4.811 ASSI { 1124} (( segid " " and resid "45 " and name "HG1 ")) (( segid " " and resid "45 " and name "HA ")) 2.500 0.800 1.000 peak 1124 weight 0.10000E+01 volume 0.54486E+02 ppm1 2.499 ppm2 4.921 OR { 1124} (( segid " " and resid "45 " and name "HG2 ")) (( segid " " and resid "45 " and name "HA ")) ASSI { 1125} (( segid " " and resid "45 " and name "HG1 ")) (( segid " " and resid "51 " and name "HA ")) 3.300 1.400 1.600 peak 1125 weight 0.10000E+01 volume 0.10923E+02 ppm1 2.500 ppm2 5.342 ASSI { 1127} (( segid " " and resid "17 " and name "HG1 ")) (( segid " " and resid "17 " and name "HA ")) 2.600 0.800 1.000 peak 1127 weight 0.10000E+01 volume 0.47329E+02 ppm1 2.428 ppm2 4.583 OR { 1127} (( segid " " and resid "17 " and name "HG2 ")) (( segid " " and resid "17 " and name "HA ")) ASSI { 1128} (( segid " " and resid "45 " and name "HB1 ")) (( segid " " and resid "45 " and name "HA ")) 2.000 0.500 0.700 peak 1128 weight 0.10000E+01 volume 0.20465E+03 ppm1 2.402 ppm2 4.921 ASSI { 1130} (( segid " " and resid "61 " and name "HB ")) (( segid " " and resid "58 " and name "HB1 ")) 3.600 1.600 1.800 peak 1130 weight 0.10000E+01 volume 0.63591E+01 ppm1 2.404 ppm2 4.138 ASSI { 1131} (( segid " " and resid "61 " and name "HB ")) (( segid " " and resid "56 " and name "HA ")) 3.600 1.600 1.800 peak 1131 weight 0.10000E+01 volume 0.64153E+01 ppm1 2.411 ppm2 4.175 ASSI { 1134} (( segid " " and resid "57 " and name "HG1 ")) (( segid " " and resid "57 " and name "HA ")) 3.200 1.300 1.500 peak 1134 weight 0.10000E+01 volume 0.14491E+02 ppm1 2.360 ppm2 4.272 ASSI { 1136} (( segid " " and resid "28 " and name "HG1 ")) (( segid " " and resid "28 " and name "HA ")) 4.200 2.200 1.300 peak 1136 weight 0.10000E+01 volume 0.28137E+01 ppm1 2.261 ppm2 4.460 ASSI { 1138} (( segid " " and resid "57 " and name "HB1 ")) (( segid " " and resid "57 " and name "HA ")) 2.200 0.600 0.800 peak 1138 weight 0.10000E+01 volume 0.12582E+03 ppm1 2.236 ppm2 4.284 ASSI { 1139} (( segid " " and resid "18 " and name "HB1 ")) (( segid " " and resid "18 " and name "HA ")) 2.000 0.500 0.700 peak 1139 weight 0.10000E+01 volume 0.21976E+03 ppm1 2.198 ppm2 4.321 ASSI { 1143} (( segid " " and resid "37 " and name "HB1 ")) (( segid " " and resid "37 " and name "HA ")) 2.000 0.500 0.700 peak 1143 weight 0.10000E+01 volume 0.22830E+03 ppm1 2.126 ppm2 4.863 OR { 1143} (( segid " " and resid "37 " and name "HB2 ")) (( segid " " and resid "37 " and name "HA ")) ASSI { 1144} (( segid " " and resid "30 " and name "HB ")) (( segid " " and resid "30 " and name "HA ")) 2.800 1.000 1.200 peak 1144 weight 0.10000E+01 volume 0.28609E+02 ppm1 2.134 ppm2 4.682 ASSI { 1145} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "24 " and name "HA ")) 1.900 1.900 2.600 peak 1145 weight 0.10000E+01 volume 0.29523E+03 ppm1 2.128 ppm2 4.423 ASSI { 1147} (( segid " " and resid "56 " and name "HB2 ")) (( segid " " and resid "56 " and name "HA ")) 2.100 0.600 0.800 peak 1147 weight 0.10000E+01 volume 0.19558E+03 ppm1 2.130 ppm2 4.175 OR { 1147} (( segid " " and resid "56 " and name "HB1 ")) (( segid " " and resid "56 " and name "HA ")) ASSI { 1148} (( segid " " and resid "56 " and name "HG1 ")) (( segid " " and resid "56 " and name "HA ")) 2.700 0.900 1.100 peak 1148 weight 0.10000E+01 volume 0.36220E+02 ppm1 2.080 ppm2 4.175 ASSI { 1149} (( segid " " and resid "7 " and name "HB ")) (( segid " " and resid "36 " and name "HA ")) 2.900 1.100 1.300 peak 1149 weight 0.10000E+01 volume 0.27451E+02 ppm1 2.074 ppm2 5.135 ASSI { 1151} (( segid " " and resid "40 " and name "HB1 ")) (( segid " " and resid "40 " and name "HA ")) 2.600 0.800 1.000 peak 1151 weight 0.10000E+01 volume 0.45159E+02 ppm1 2.058 ppm2 4.777 ASSI { 1155} (( segid " " and resid "8 " and name "HB1 ")) (( segid " " and resid "8 " and name "HA ")) 2.500 0.800 1.000 peak 1155 weight 0.10000E+01 volume 0.57660E+02 ppm1 1.998 ppm2 4.676 OR { 1155} (( segid " " and resid "8 " and name "HB2 ")) (( segid " " and resid "8 " and name "HA ")) ASSI { 1156} (( segid " " and resid "18 " and name "HG1 ")) (( segid " " and resid "17 " and name "HA ")) 3.300 1.400 1.600 peak 1156 weight 0.10000E+01 volume 0.12046E+02 ppm1 1.991 ppm2 4.580 ASSI { 1157} (( segid " " and resid "28 " and name "HB2 ")) (( segid " " and resid "28 " and name "HA ")) 2.000 0.500 0.700 peak 1157 weight 0.10000E+01 volume 0.21494E+03 ppm1 2.025 ppm2 4.462 ASSI { 1159} (( segid " " and resid "64 " and name "HB1 ")) (( segid " " and resid "64 " and name "HA ")) 2.300 0.700 0.900 peak 1159 weight 0.10000E+01 volume 0.96669E+02 ppm1 2.054 ppm2 4.223 OR { 1159} (( segid " " and resid "64 " and name "HB2 ")) (( segid " " and resid "64 " and name "HA ")) ASSI { 1160} (( segid " " and resid "56 " and name "HG2 ")) (( segid " " and resid "56 " and name "HA ")) 2.100 0.600 0.800 peak 1160 weight 0.10000E+01 volume 0.15403E+03 ppm1 2.005 ppm2 4.176 ASSI { 1163} (( segid " " and resid "18 " and name "HB2 ")) (( segid " " and resid "18 " and name "HA ")) 2.700 0.900 1.100 peak 1163 weight 0.10000E+01 volume 0.37154E+02 ppm1 2.055 ppm2 4.322 ASSI { 1165} (( segid " " and resid "27 " and name "HB2 ")) (( segid " " and resid "27 " and name "HA ")) 2.700 0.900 1.100 peak 1165 weight 0.10000E+01 volume 0.36058E+02 ppm1 1.893 ppm2 5.399 ASSI { 1166} (( segid " " and resid "26 " and name "HB2 ")) (( segid " " and resid "26 " and name "HA ")) 2.300 0.700 0.900 peak 1166 weight 0.10000E+01 volume 0.88720E+02 ppm1 1.893 ppm2 5.128 ASSI { 1168} (( segid " " and resid "41 " and name "HB ")) (( segid " " and resid "41 " and name "HA ")) 2.500 0.800 1.000 peak 1168 weight 0.10000E+01 volume 0.54406E+02 ppm1 1.894 ppm2 4.848 ASSI { 1170} (( segid " " and resid "39 " and name "HB ")) (( segid " " and resid "38 " and name "HA ")) 5.000 3.100 0.500 peak 1170 weight 0.10000E+01 volume -0.43830E+01 ppm1 1.884 ppm2 4.729 ASSI { 1173} (( segid " " and resid "50 " and name "HB1 ")) (( segid " " and resid "50 " and name "HA ")) 2.000 0.500 0.700 peak 1173 weight 0.10000E+01 volume 0.26598E+03 ppm1 1.917 ppm2 4.177 OR { 1173} (( segid " " and resid "50 " and name "HB2 ")) (( segid " " and resid "50 " and name "HA ")) ASSI { 1175} (( segid " " and resid "19 " and name "HB ")) (( segid " " and resid "19 " and name "HA ")) 1.800 1.800 2.700 peak 1175 weight 0.10000E+01 volume 0.41209E+03 ppm1 1.869 ppm2 4.245 ASSI { 1176} (( segid " " and resid "18 " and name "HG2 ")) (( segid " " and resid "18 " and name "HA ")) 2.700 0.900 1.100 peak 1176 weight 0.10000E+01 volume 0.39084E+02 ppm1 1.898 ppm2 4.322 ASSI { 1183} (( segid " " and resid "37 " and name "HG1 ")) (( segid " " and resid "37 " and name "HA ")) 3.000 1.100 1.300 peak 1183 weight 0.10000E+01 volume 0.21178E+02 ppm1 1.822 ppm2 4.859 OR { 1183} (( segid " " and resid "37 " and name "HG2 ")) (( segid " " and resid "37 " and name "HA ")) ASSI { 1185} (( segid " " and resid "42 " and name "HB ")) (( segid " " and resid "42 " and name "HA ")) 2.400 0.700 0.900 peak 1185 weight 0.10000E+01 volume 0.77789E+02 ppm1 1.825 ppm2 4.579 ASSI { 1187} (( segid " " and resid "47 " and name "HB2 ")) (( segid " " and resid "47 " and name "HA ")) 1.900 0.500 0.700 peak 1187 weight 0.10000E+01 volume 0.31503E+03 ppm1 1.768 ppm2 4.224 ASSI { 1188} (( segid " " and resid "57 " and name "HB2 ")) (( segid " " and resid "57 " and name "HA ")) 2.200 0.600 0.800 peak 1188 weight 0.10000E+01 volume 0.13206E+03 ppm1 1.829 ppm2 4.283 ASSI { 1190} (( segid " " and resid "47 " and name "HB2 ")) (( segid " " and resid "23 " and name "HA ")) 3.700 1.700 1.800 peak 1190 weight 0.10000E+01 volume 0.62161E+01 ppm1 1.764 ppm2 4.537 ASSI { 1198} (( segid " " and resid "24 " and name "HB2 ")) (( segid " " and resid "24 " and name "HA ")) 1.700 0.400 0.600 peak 1198 weight 0.10000E+01 volume 0.58775E+03 ppm1 1.687 ppm2 4.431 OR { 1198} (( segid " " and resid "24 " and name "HB1 ")) (( segid " " and resid "24 " and name "HA ")) ASSI { 1201} (( segid " " and resid "54 " and name "HG ")) (( segid " " and resid "54 " and name "HA ")) 2.900 1.100 1.300 peak 1201 weight 0.10000E+01 volume 0.26295E+02 ppm1 1.656 ppm2 5.005 ASSI { 1205} (( segid " " and resid "8 " and name "HG1 ")) (( segid " " and resid "8 " and name "HA ")) 2.400 2.400 2.100 peak 1205 weight 0.10000E+01 volume 0.69660E+02 ppm1 1.566 ppm2 4.674 ASSI { 1208} (( segid " " and resid "52 " and name "HB1 ")) (( segid " " and resid "51 " and name "HA ")) 3.200 1.300 1.500 peak 1208 weight 0.10000E+01 volume 0.14564E+02 ppm1 1.620 ppm2 5.344 ASSI { 1226} (( segid " " and resid "67 " and name "HB1 ") OR ( segid " " and resid "67 " and name "HB3 ") OR ( segid " " and resid "67 " and name "HB2 ")) (( segid " " and resid "68 " and name "HA ")) 3.300 1.400 1.600 peak 1226 weight 0.10000E+01 volume 0.11937E+02 ppm1 1.563 ppm2 4.117 ASSI { 1232} (( segid " " and resid "24 " and name "HD11") OR ( segid " " and resid "24 " and name "HD13") OR ( segid " " and resid "24 " and name "HD12")) (( segid " " and resid "24 " and name "HA ")) 2.200 0.600 0.800 peak 1232 weight 0.10000E+01 volume 0.13200E+03 ppm1 1.399 ppm2 4.420 OR { 1232} (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) (( segid " " and resid "24 " and name "HA ")) ASSI { 1233} (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) (( segid " " and resid "64 " and name "HA ")) 2.900 1.100 1.300 peak 1233 weight 0.10000E+01 volume 0.26494E+02 ppm1 1.396 ppm2 4.230 OR { 1233} (( segid " " and resid "24 " and name "HD11") OR ( segid " " and resid "24 " and name "HD13") OR ( segid " " and resid "24 " and name "HD12")) (( segid " " and resid "64 " and name "HA ")) ASSI { 1234} (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "27 " and name "HA ")) 2.800 1.000 1.200 peak 1234 weight 0.10000E+01 volume 0.27716E+02 ppm1 1.294 ppm2 5.398 ASSI { 1236} (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "51 " and name "HA ")) 3.800 1.800 1.700 peak 1236 weight 0.10000E+01 volume 0.45589E+01 ppm1 1.295 ppm2 5.345 ASSI { 1237} (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "43 " and name "HA ")) 2.100 0.600 0.800 peak 1237 weight 0.10000E+01 volume 0.16200E+03 ppm1 1.292 ppm2 5.025 ASSI { 1238} (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "42 " and name "HA ")) 3.400 1.400 1.600 peak 1238 weight 0.10000E+01 volume 0.92162E+01 ppm1 1.291 ppm2 4.579 ASSI { 1239} (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "24 " and name "HA ")) 3.600 1.600 1.800 peak 1239 weight 0.10000E+01 volume 0.69619E+01 ppm1 1.292 ppm2 4.422 ASSI { 1240} (( segid " " and resid "27 " and name "HB1 ")) (( segid " " and resid "27 " and name "HA ")) 2.200 0.600 0.800 peak 1240 weight 0.10000E+01 volume 0.14859E+03 ppm1 1.231 ppm2 5.399 ASSI { 1241} (( segid " " and resid "27 " and name "HB1 ")) (( segid " " and resid "43 " and name "HA ")) 3.000 1.100 1.300 peak 1241 weight 0.10000E+01 volume 0.19817E+02 ppm1 1.239 ppm2 5.024 ASSI { 1244} (( segid " " and resid "24 " and name "HN ")) (( segid " " and resid "47 " and name "HA ")) 5.500 3.800 0.000 peak 1244 weight 0.10000E+01 volume 0.82000E-02 ppm1 7.275 ppm2 4.229 ASSI { 1246} (( segid " " and resid "10 " and name "HA ")) (( segid " " and resid "10 " and name "HB ")) 2.000 0.500 0.700 peak 1246 weight 0.10000E+01 volume 0.22306E+03 ppm1 4.248 ppm2 4.145 ASSI { 1251} (( segid " " and resid "31 " and name "HD2 ")) (( segid " " and resid "31 " and name "HD1 ")) 1.800 0.400 0.600 peak 1251 weight 0.10000E+01 volume 0.41377E+03 ppm1 3.819 ppm2 4.043 ASSI { 1254} (( segid " " and resid "20 " and name "HB1 ")) (( segid " " and resid "21 " and name "HD2 ")) 2.800 1.000 1.200 peak 1254 weight 0.10000E+01 volume 0.31722E+02 ppm1 2.921 ppm2 3.997 ASSI { 1255} (( segid " " and resid "20 " and name "HB2 ")) (( segid " " and resid "21 " and name "HD2 ")) 3.100 1.200 1.400 peak 1255 weight 0.10000E+01 volume 0.16179E+02 ppm1 2.820 ppm2 4.000 ASSI { 1259} (( segid " " and resid "57 " and name "HG2 ")) (( segid " " and resid "58 " and name "HB2 ")) 3.400 1.400 1.600 peak 1259 weight 0.10000E+01 volume 0.99256E+01 ppm1 2.685 ppm2 4.036 ASSI { 1260} (( segid " " and resid "57 " and name "HG2 ")) (( segid " " and resid "56 " and name "HD2 ")) 4.200 2.200 1.300 peak 1260 weight 0.10000E+01 volume 0.27194E+01 ppm1 2.682 ppm2 3.956 OR { 1260} (( segid " " and resid "57 " and name "HG2 ")) (( segid " " and resid "56 " and name "HD1 ")) ASSI { 1263} (( segid " " and resid "61 " and name "HB ")) (( segid " " and resid "58 " and name "HB2 ")) 2.300 0.700 0.900 peak 1263 weight 0.10000E+01 volume 0.93983E+02 ppm1 2.404 ppm2 4.034 ASSI { 1267} (( segid " " and resid "25 " and name "HG2 ")) (( segid " " and resid "46 " and name "HA ")) 4.700 2.800 0.800 peak 1267 weight 0.10000E+01 volume 0.13221E+01 ppm1 2.192 ppm2 4.023 OR { 1267} (( segid " " and resid "25 " and name "HG1 ")) (( segid " " and resid "46 " and name "HA ")) ASSI { 1268} (( segid " " and resid "25 " and name "HG1 ")) (( segid " " and resid "44 " and name "HB ")) 5.000 3.100 0.500 peak 1268 weight 0.10000E+01 volume -0.14430E+01 ppm1 2.192 ppm2 3.948 OR { 1268} (( segid " " and resid "25 " and name "HG2 ")) (( segid " " and resid "44 " and name "HB ")) ASSI { 1271} (( segid " " and resid "45 " and name "HB2 ")) (( segid " " and resid "50 " and name "HA ")) 4.200 2.200 1.300 peak 1271 weight 0.10000E+01 volume 0.28948E+01 ppm1 2.172 ppm2 4.176 ASSI { 1272} (( segid " " and resid "56 " and name "HB1 ")) (( segid " " and resid "56 " and name "HD1 ")) 2.600 0.800 1.000 peak 1272 weight 0.10000E+01 volume 0.49645E+02 ppm1 2.127 ppm2 3.957 OR { 1272} (( segid " " and resid "56 " and name "HB2 ")) (( segid " " and resid "56 " and name "HD2 ")) OR { 1272} (( segid " " and resid "56 " and name "HB1 ")) (( segid " " and resid "56 " and name "HD2 ")) OR { 1272} (( segid " " and resid "56 " and name "HB2 ")) (( segid " " and resid "56 " and name "HD1 ")) ASSI { 1273} (( segid " " and resid "21 " and name "HB1 ")) (( segid " " and resid "21 " and name "HD2 ")) 2.500 0.800 1.000 peak 1273 weight 0.10000E+01 volume 0.56271E+02 ppm1 2.144 ppm2 4.008 OR { 1273} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "21 " and name "HD2 ")) ASSI { 1276} (( segid " " and resid "40 " and name "HB1 ")) (( segid " " and resid "31 " and name "HD1 ")) 3.000 1.100 1.300 peak 1276 weight 0.10000E+01 volume 0.21327E+02 ppm1 2.071 ppm2 4.043 ASSI { 1279} (( segid " " and resid "56 " and name "HG2 ")) (( segid " " and resid "56 " and name "HD2 ")) 2.600 0.800 1.000 peak 1279 weight 0.10000E+01 volume 0.52727E+02 ppm1 2.011 ppm2 3.955 OR { 1279} (( segid " " and resid "56 " and name "HG2 ")) (( segid " " and resid "56 " and name "HD1 ")) ASSI { 1293} (( segid " " and resid "14 " and name "HB ")) (( segid " " and resid "14 " and name "HA ")) 2.200 0.600 0.800 peak 1293 weight 0.10000E+01 volume 0.11566E+03 ppm1 1.719 ppm2 4.230 ASSI { 1295} (( segid " " and resid "61 " and name "HG11")) (( segid " " and resid "56 " and name "HA ")) 3.100 1.200 1.400 peak 1295 weight 0.10000E+01 volume 0.16080E+02 ppm1 1.635 ppm2 4.173 ASSI { 1296} (( segid " " and resid "64 " and name "HG ")) (( segid " " and resid "65 " and name "HA ")) 2.100 2.100 2.400 peak 1296 weight 0.10000E+01 volume 0.18496E+03 ppm1 1.591 ppm2 3.907 ASSI { 1297} (( segid " " and resid "34 " and name "HB2 ")) (( segid " " and resid "34 " and name "HA ")) 2.300 0.700 0.900 peak 1297 weight 0.10000E+01 volume 0.93980E+02 ppm1 1.621 ppm2 3.976 ASSI { 1298} (( segid " " and resid "61 " and name "HG11")) (( segid " " and resid "58 " and name "HB2 ")) 2.200 0.600 0.800 peak 1298 weight 0.10000E+01 volume 0.11987E+03 ppm1 1.642 ppm2 4.026 ASSI { 1300} (( segid " " and resid "61 " and name "HG12")) (( segid " " and resid "58 " and name "HB2 ")) 3.100 1.200 1.400 peak 1300 weight 0.10000E+01 volume 0.17366E+02 ppm1 1.517 ppm2 4.035 ASSI { 1302} (( segid " " and resid "48 " and name "HG1 ")) (( segid " " and resid "48 " and name "HA ")) 2.100 0.600 0.800 peak 1302 weight 0.10000E+01 volume 0.16656E+03 ppm1 1.448 ppm2 4.056 ASSI { 1307} (( segid " " and resid "12 " and name "HG12")) (( segid " " and resid "12 " and name "HA ")) 3.100 1.200 1.400 peak 1307 weight 0.10000E+01 volume 0.17391E+02 ppm1 1.264 ppm2 4.104 OR { 1307} (( segid " " and resid "12 " and name "HG11")) (( segid " " and resid "12 " and name "HA ")) ASSI { 1310} (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) (( segid " " and resid "44 " and name "HB ")) 2.000 0.500 0.700 peak 1310 weight 0.10000E+01 volume 0.21371E+03 ppm1 1.157 ppm2 3.948 ASSI { 1313} (( segid " " and resid "39 " and name "HG21") OR ( segid " " and resid "39 " and name "HG23") OR ( segid " " and resid "39 " and name "HG22")) (( segid " " and resid "39 " and name "HA ")) 2.400 0.700 0.900 peak 1313 weight 0.10000E+01 volume 0.76563E+02 ppm1 1.053 ppm2 4.222 OR { 1313} (( segid " " and resid "39 " and name "HG11") OR ( segid " " and resid "39 " and name "HG13") OR ( segid " " and resid "39 " and name "HG12")) (( segid " " and resid "39 " and name "HA ")) ASSI { 1316} (( segid " " and resid "68 " and name "HG21") OR ( segid " " and resid "68 " and name "HG23") OR ( segid " " and resid "68 " and name "HG22")) (( segid " " and resid "68 " and name "HA ")) 2.500 0.800 1.000 peak 1316 weight 0.10000E+01 volume 0.56244E+02 ppm1 0.996 ppm2 4.117 ASSI { 1321} (( segid " " and resid "7 " and name "HG21") OR ( segid " " and resid "7 " and name "HG23") OR ( segid " " and resid "7 " and name "HG22")) (( segid " " and resid "7 " and name "HA ")) 2.300 0.700 0.900 peak 1321 weight 0.10000E+01 volume 0.93061E+02 ppm1 0.916 ppm2 4.265 ASSI { 1323} (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) (( segid " " and resid "64 " and name "HA ")) 2.200 0.600 0.800 peak 1323 weight 0.10000E+01 volume 0.12932E+03 ppm1 0.829 ppm2 4.222 ASSI { 1328} (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) (( segid " " and resid "56 " and name "HA ")) 2.000 0.500 0.700 peak 1328 weight 0.10000E+01 volume 0.21203E+03 ppm1 0.762 ppm2 4.175 ASSI { 1336} (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) (( segid " " and resid "58 " and name "HB2 ")) 2.900 1.100 1.300 peak 1336 weight 0.10000E+01 volume 0.25574E+02 ppm1 0.701 ppm2 4.034 ASSI { 1349} (( segid " " and resid "68 " and name "HG11") OR ( segid " " and resid "68 " and name "HG13") OR ( segid " " and resid "68 " and name "HG12")) (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) 3.300 1.400 1.600 peak 1349 weight 0.10000E+01 volume 0.11684E+02 ppm1 0.970 ppm2 3.136 ASSI { 1352} (( segid " " and resid "27 " and name "HB1 ")) (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) 2.400 0.700 0.900 peak 1352 weight 0.10000E+01 volume 0.85737E+02 ppm1 1.231 ppm2 3.137 ASSI { 1379} (( segid " " and resid "27 " and name "HB2 ")) (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) 2.200 0.600 0.800 peak 1379 weight 0.10000E+01 volume 0.14566E+03 ppm1 1.893 ppm2 3.137 ASSI { 1387} (( segid " " and resid "35 " and name "HB1 ")) (( segid " " and resid "35 " and name "HB2 ")) 1.800 0.400 0.600 peak 1387 weight 0.10000E+01 volume 0.41019E+03 ppm1 2.725 ppm2 3.278 ASSI { 1390} (( segid " " and resid "16 " and name "HB1 ")) (( segid " " and resid "16 " and name "HB2 ")) 1.700 0.400 0.600 peak 1390 weight 0.10000E+01 volume 0.54223E+03 ppm1 2.783 ppm2 3.011 ASSI { 1393} (( segid " " and resid "20 " and name "HB2 ")) (( segid " " and resid "20 " and name "HB1 ")) 1.600 0.300 0.600 peak 1393 weight 0.10000E+01 volume 0.10178E+04 ppm1 2.818 ppm2 2.916 ASSI { 1394} (( segid " " and resid "11 " and name "HB2 ")) (( segid " " and resid "11 " and name "HB1 ")) 2.000 0.500 0.700 peak 1394 weight 0.10000E+01 volume 0.26324E+03 ppm1 2.768 ppm2 3.275 ASSI { 1395} (( segid " " and resid "36 " and name "HB1 ")) (( segid " " and resid "36 " and name "HB2 ")) 2.000 0.500 0.700 peak 1395 weight 0.10000E+01 volume 0.23711E+03 ppm1 2.871 ppm2 3.309 ASSI { 1426} (( segid " " and resid "19 " and name "HA ")) (( segid " " and resid "18 " and name "HB2 ")) 2.500 2.500 2.000 peak 1426 weight 0.10000E+01 volume 0.59029E+02 ppm1 4.254 ppm2 2.063 ASSI { 1428} (( segid " " and resid "68 " and name "HA ")) (( segid " " and resid "68 " and name "HB ")) 2.200 0.600 0.800 peak 1428 weight 0.10000E+01 volume 0.12955E+03 ppm1 4.123 ppm2 2.241 ASSI { 1438} (( segid " " and resid "21 " and name "HD2 ")) (( segid " " and resid "21 " and name "HG2 ")) 2.200 0.600 0.800 peak 1438 weight 0.10000E+01 volume 0.13439E+03 ppm1 4.007 ppm2 1.931 OR { 1438} (( segid " " and resid "21 " and name "HD2 ")) (( segid " " and resid "21 " and name "HG1 ")) ASSI { 1442} (( segid " " and resid "59 " and name "HA ")) (( segid " " and resid "59 " and name "HB2 ")) 1.800 0.400 0.600 peak 1442 weight 0.10000E+01 volume 0.45676E+03 ppm1 3.913 ppm2 1.908 ASSI { 1443} (( segid " " and resid "61 " and name "HA ")) (( segid " " and resid "64 " and name "HB1 ")) 2.100 0.600 0.800 peak 1443 weight 0.10000E+01 volume 0.15751E+03 ppm1 3.897 ppm2 2.049 OR { 1443} (( segid " " and resid "61 " and name "HA ")) (( segid " " and resid "64 " and name "HB2 ")) ASSI { 1444} (( segid " " and resid "61 " and name "HA ")) (( segid " " and resid "21 " and name "HB1 ")) 2.200 2.200 2.300 peak 1444 weight 0.10000E+01 volume 0.11907E+03 ppm1 3.896 ppm2 2.137 OR { 1444} (( segid " " and resid "61 " and name "HA ")) (( segid " " and resid "21 " and name "HB2 ")) ASSI { 1448} (( segid " " and resid "18 " and name "HD1 ")) (( segid " " and resid "18 " and name "HG1 ")) 2.300 0.700 0.900 peak 1448 weight 0.10000E+01 volume 0.10637E+03 ppm1 3.839 ppm2 1.991 ASSI { 1449} (( segid " " and resid "18 " and name "HD1 ")) (( segid " " and resid "17 " and name "HB2 ")) 1.900 0.500 0.700 peak 1449 weight 0.10000E+01 volume 0.27289E+03 ppm1 3.832 ppm2 2.059 ASSI { 1450} (( segid " " and resid "18 " and name "HD2 ")) (( segid " " and resid "18 " and name "HG1 ")) 2.400 0.700 0.900 peak 1450 weight 0.10000E+01 volume 0.79249E+02 ppm1 3.681 ppm2 1.992 ASSI { 1464} (( segid " " and resid "40 " and name "HG2 ")) (( segid " " and resid "40 " and name "HB1 ")) 2.100 0.600 0.800 peak 1464 weight 0.10000E+01 volume 0.18140E+03 ppm1 2.558 ppm2 2.053 OR { 1464} (( segid " " and resid "40 " and name "HG1 ")) (( segid " " and resid "40 " and name "HB1 ")) ASSI { 1468} (( segid " " and resid "45 " and name "HG1 ")) (( segid " " and resid "45 " and name "HB2 ")) 2.100 0.600 0.800 peak 1468 weight 0.10000E+01 volume 0.18155E+03 ppm1 2.501 ppm2 2.162 OR { 1468} (( segid " " and resid "45 " and name "HG2 ")) (( segid " " and resid "45 " and name "HB2 ")) ASSI { 1472} (( segid " " and resid "45 " and name "HB1 ")) (( segid " " and resid "45 " and name "HG2 ")) 2.000 0.500 0.700 peak 1472 weight 0.10000E+01 volume 0.21579E+03 ppm1 2.404 ppm2 2.496 ASSI { 1473} (( segid " " and resid "57 " and name "HG1 ")) (( segid " " and resid "57 " and name "HB1 ")) 2.100 0.600 0.800 peak 1473 weight 0.10000E+01 volume 0.17130E+03 ppm1 2.351 ppm2 2.234 ASSI { 1476} (( segid " " and resid "45 " and name "HB1 ")) (( segid " " and resid "45 " and name "HB2 ")) 1.600 0.300 0.600 peak 1476 weight 0.10000E+01 volume 0.83882E+03 ppm1 2.403 ppm2 2.161 ASSI { 1481} (( segid " " and resid "28 " and name "HG1 ")) (( segid " " and resid "28 " and name "HB2 ")) 1.600 0.300 0.600 peak 1481 weight 0.10000E+01 volume 0.81267E+03 ppm1 2.250 ppm2 2.025 ASSI { 1482} (( segid " " and resid "28 " and name "HG1 ")) (( segid " " and resid "28 " and name "HG2 ")) 1.700 0.400 0.600 peak 1482 weight 0.10000E+01 volume 0.63584E+03 ppm1 2.245 ppm2 2.151 ASSI { 1484} (( segid " " and resid "18 " and name "HB1 ")) (( segid " " and resid "18 " and name "HG2 ")) 1.700 0.400 0.600 peak 1484 weight 0.10000E+01 volume 0.60217E+03 ppm1 2.199 ppm2 1.904 ASSI { 1485} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "21 " and name "HG1 ")) 1.600 0.300 0.600 peak 1485 weight 0.10000E+01 volume 0.74004E+03 ppm1 2.139 ppm2 1.925 OR { 1485} (( segid " " and resid "21 " and name "HB1 ")) (( segid " " and resid "21 " and name "HG2 ")) OR { 1485} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "21 " and name "HG2 ")) ASSI { 1486} (( segid " " and resid "18 " and name "HB1 ")) (( segid " " and resid "18 " and name "HG1 ")) 2.300 0.700 0.900 peak 1486 weight 0.10000E+01 volume 0.11098E+03 ppm1 2.193 ppm2 1.993 ASSI { 1493} (( segid " " and resid "17 " and name "HB2 ")) (( segid " " and resid "17 " and name "HG1 ")) 2.200 0.600 0.800 peak 1493 weight 0.10000E+01 volume 0.14312E+03 ppm1 2.066 ppm2 2.426 OR { 1493} (( segid " " and resid "17 " and name "HB2 ")) (( segid " " and resid "17 " and name "HG2 ")) ASSI { 1495} (( segid " " and resid "18 " and name "HB2 ")) (( segid " " and resid "18 " and name "HB1 ")) 1.800 0.400 0.600 peak 1495 weight 0.10000E+01 volume 0.41408E+03 ppm1 2.054 ppm2 2.192 ASSI { 1496} (( segid " " and resid "40 " and name "HB1 ")) (( segid " " and resid "30 " and name "HB ")) 1.700 0.400 0.600 peak 1496 weight 0.10000E+01 volume 0.70800E+03 ppm1 2.050 ppm2 2.121 ASSI { 1501} (( segid " " and resid "40 " and name "HB2 ")) (( segid " " and resid "40 " and name "HB1 ")) 1.500 0.300 0.700 peak 1501 weight 0.10000E+01 volume 0.10911E+04 ppm1 1.913 ppm2 2.053 ASSI { 1507} (( segid " " and resid "57 " and name "HB2 ")) (( segid " " and resid "57 " and name "HG1 ")) 2.200 0.600 0.800 peak 1507 weight 0.10000E+01 volume 0.13607E+03 ppm1 1.830 ppm2 2.355 ASSI { 1508} (( segid " " and resid "37 " and name "HG1 ")) (( segid " " and resid "7 " and name "HB ")) 1.800 1.800 2.700 peak 1508 weight 0.10000E+01 volume 0.47325E+03 ppm1 1.824 ppm2 2.066 OR { 1508} (( segid " " and resid "37 " and name "HG2 ")) (( segid " " and resid "7 " and name "HB ")) ASSI { 1510} (( segid " " and resid "61 " and name "HG11")) (( segid " " and resid "61 " and name "HB ")) 2.200 0.600 0.800 peak 1510 weight 0.10000E+01 volume 0.11433E+03 ppm1 1.631 ppm2 2.404 ASSI { 1511} (( segid " " and resid "25 " and name "HB1 ")) (( segid " " and resid "25 " and name "HG2 ")) 3.300 1.400 1.600 peak 1511 weight 0.10000E+01 volume 0.11111E+02 ppm1 1.695 ppm2 2.190 OR { 1511} (( segid " " and resid "25 " and name "HB2 ")) (( segid " " and resid "25 " and name "HG1 ")) OR { 1511} (( segid " " and resid "25 " and name "HB1 ")) (( segid " " and resid "25 " and name "HG1 ")) ASSI { 1514} (( segid " " and resid "8 " and name "HG1 ")) (( segid " " and resid "8 " and name "HB2 ")) 2.600 0.800 1.000 peak 1514 weight 0.10000E+01 volume 0.46494E+02 ppm1 1.562 ppm2 1.991 OR { 1514} (( segid " " and resid "8 " and name "HG1 ")) (( segid " " and resid "8 " and name "HB1 ")) ASSI { 1515} (( segid " " and resid "30 " and name "HG12")) (( segid " " and resid "30 " and name "HB ")) 2.200 0.600 0.800 peak 1515 weight 0.10000E+01 volume 0.14351E+03 ppm1 1.458 ppm2 2.132 ASSI { 1516} (( segid " " and resid "61 " and name "HG12")) (( segid " " and resid "61 " and name "HB ")) 2.300 0.700 0.900 peak 1516 weight 0.10000E+01 volume 0.92848E+02 ppm1 1.518 ppm2 2.404 ASSI { 1517} (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) (( segid " " and resid "25 " and name "HG1 ")) 3.600 1.600 1.800 peak 1517 weight 0.10000E+01 volume 0.65524E+01 ppm1 1.156 ppm2 2.190 OR { 1517} (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) (( segid " " and resid "25 " and name "HG2 ")) ASSI { 1518} (( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "30 " and name "HB ")) 2.400 0.700 0.900 peak 1518 weight 0.10000E+01 volume 0.83096E+02 ppm1 1.132 ppm2 2.134 ASSI { 1521} (( segid " " and resid "68 " and name "HG21") OR ( segid " " and resid "68 " and name "HG23") OR ( segid " " and resid "68 " and name "HG22")) (( segid " " and resid "68 " and name "HB ")) 2.400 0.700 0.900 peak 1521 weight 0.10000E+01 volume 0.85300E+02 ppm1 0.989 ppm2 2.243 ASSI { 1526} (( segid " " and resid "7 " and name "HG21") OR ( segid " " and resid "7 " and name "HG23") OR ( segid " " and resid "7 " and name "HG22")) (( segid " " and resid "7 " and name "HB ")) 2.400 0.700 0.900 peak 1526 weight 0.10000E+01 volume 0.85584E+02 ppm1 0.914 ppm2 2.079 ASSI { 1527} (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) (( segid " " and resid "68 " and name "HB ")) 2.900 1.100 1.300 peak 1527 weight 0.10000E+01 volume 0.24431E+02 ppm1 0.839 ppm2 2.242 OR { 1527} (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) (( segid " " and resid "68 " and name "HB ")) ASSI { 1529} (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) (( segid " " and resid "64 " and name "HB1 ")) 2.100 0.600 0.800 peak 1529 weight 0.10000E+01 volume 0.17530E+03 ppm1 0.835 ppm2 2.048 OR { 1529} (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) (( segid " " and resid "64 " and name "HB2 ")) ASSI { 1536} (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) (( segid " " and resid "61 " and name "HB ")) 2.800 1.000 1.200 peak 1536 weight 0.10000E+01 volume 0.28579E+02 ppm1 0.701 ppm2 2.404 ASSI { 1537} (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) (( segid " " and resid "64 " and name "HB1 ")) 3.000 1.100 1.300 peak 1537 weight 0.10000E+01 volume 0.18564E+02 ppm1 0.701 ppm2 2.053 OR { 1537} (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) (( segid " " and resid "64 " and name "HB2 ")) ASSI { 1540} (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) (( segid " " and resid "41 " and name "HG12")) 2.200 0.600 0.800 peak 1540 weight 0.10000E+01 volume 0.14233E+03 ppm1 0.731 ppm2 1.048 OR { 1540} (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) (( segid " " and resid "41 " and name "HG11")) ASSI { 1543} (( 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 "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) 2.700 2.700 1.800 peak 1543 weight 0.10000E+01 volume 0.41177E+02 ppm1 0.743 ppm2 1.286 ASSI { 1545} (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) (( segid " " and resid "54 " and name "HB2 ")) 2.000 0.500 0.700 peak 1545 weight 0.10000E+01 volume 0.20991E+03 ppm1 0.722 ppm2 1.442 ASSI { 1552} (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) (( segid " " and resid "27 " and name "HB1 ")) 2.700 0.900 1.100 peak 1552 weight 0.10000E+01 volume 0.36661E+02 ppm1 0.843 ppm2 1.228 OR { 1552} (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) (( segid " " and resid "27 " and name "HB1 ")) ASSI { 1554} (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) 2.400 0.700 0.900 peak 1554 weight 0.10000E+01 volume 0.76346E+02 ppm1 0.842 ppm2 1.291 ASSI { 1556} (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) (( segid " " and resid "54 " and name "HB2 ")) 2.100 0.600 0.800 peak 1556 weight 0.10000E+01 volume 0.18610E+03 ppm1 0.829 ppm2 1.450 OR { 1556} (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) (( segid " " and resid "54 " and name "HB2 ")) ASSI { 1559} (( segid " " and resid "12 " and name "HG21") OR ( segid " " and resid "12 " and name "HG23") OR ( segid " " and resid "12 " and name "HG22")) (( segid " " and resid "12 " and name "HG11")) 2.700 0.900 1.100 peak 1559 weight 0.10000E+01 volume 0.38166E+02 ppm1 0.946 ppm2 1.247 OR { 1559} (( segid " " and resid "12 " and name "HG21") OR ( segid " " and resid "12 " and name "HG23") OR ( segid " " and resid "12 " and name "HG22")) (( segid " " and resid "12 " and name "HG12")) ASSI { 1561} (( segid " " and resid "39 " and name "HG21") OR ( segid " " and resid "39 " and name "HG23") OR ( segid " " and resid "39 " and name "HG22")) (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) 2.200 2.200 2.300 peak 1561 weight 0.10000E+01 volume 0.12340E+03 ppm1 1.053 ppm2 1.166 OR { 1561} (( segid " " and resid "39 " and name "HG11") OR ( segid " " and resid "39 " and name "HG13") OR ( segid " " and resid "39 " and name "HG12")) (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) ASSI { 1564} (( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "30 " and name "HG12")) 1.700 0.400 0.600 peak 1564 weight 0.10000E+01 volume 0.61892E+03 ppm1 1.132 ppm2 1.456 ASSI { 1576} (( segid " " and resid "42 " and name "HB ")) (( segid " " and resid "42 " and name "HG11")) 3.000 1.100 1.300 peak 1576 weight 0.10000E+01 volume 0.21223E+02 ppm1 1.821 ppm2 1.098 OR { 1576} (( segid " " and resid "42 " and name "HB ")) (( segid " " and resid "42 " and name "HG12")) ASSI { 1578} (( segid " " and resid "12 " and name "HB ")) (( segid " " and resid "12 " and name "HG21") OR ( segid " " and resid "12 " and name "HG23") OR ( segid " " and resid "12 " and name "HG22")) 2.100 0.600 0.800 peak 1578 weight 0.10000E+01 volume 0.16567E+03 ppm1 1.946 ppm2 0.942 ASSI { 1580} (( segid " " and resid "30 " and name "HB ")) (( segid " " and resid "30 " and name "HG21") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG22")) 2.100 0.600 0.800 peak 1580 weight 0.10000E+01 volume 0.17542E+03 ppm1 2.136 ppm2 1.078 ASSI { 1584} (( segid " " and resid "68 " and name "HB ")) (( segid " " and resid "68 " and name "HG11") OR ( segid " " and resid "68 " and name "HG13") OR ( segid " " and resid "68 " and name "HG12")) 2.000 0.500 0.700 peak 1584 weight 0.10000E+01 volume 0.24699E+03 ppm1 2.246 ppm2 0.970 ASSI { 1589} (( segid " " and resid "35 " and name "HB1 ")) (( segid " " and resid "7 " and name "HG11") OR ( segid " " and resid "7 " and name "HG13") OR ( segid " " and resid "7 " and name "HG12")) 3.700 1.700 1.800 peak 1589 weight 0.10000E+01 volume 0.60835E+01 ppm1 2.722 ppm2 0.954 ASSI { 1599} (( segid " " and resid "20 " and name "HB1 ")) (( segid " " and resid "60 " and name "HB1 ") OR ( segid " " and resid "60 " and name "HB3 ") OR ( segid " " and resid "60 " and name "HB2 ")) 2.700 0.900 1.100 peak 1599 weight 0.10000E+01 volume 0.39643E+02 ppm1 2.928 ppm2 1.432 ASSI { 1605} (( segid " " and resid "36 " and name "HA ")) (( segid " " and resid "37 " and name "HD2 ")) 2.400 0.700 0.900 peak 1605 weight 0.10000E+01 volume 0.83842E+02 ppm1 5.138 ppm2 3.652 ASSI { 1612} (( segid " " and resid "15 " and name "HB2 ")) (( segid " " and resid "15 " and name "HB1 ")) 1.600 0.300 0.600 peak 1612 weight 0.10000E+01 volume 0.94098E+03 ppm1 3.997 ppm2 3.841 ASSI { 1613} (( segid " " and resid "21 " and name "HD2 ")) (( segid " " and resid "21 " and name "HD1 ")) 1.500 0.300 0.700 peak 1613 weight 0.10000E+01 volume 0.13040E+04 ppm1 4.009 ppm2 3.893 ASSI { 1616} (( segid " " and resid "18 " and name "HD1 ")) (( segid " " and resid "18 " and name "HD2 ")) 1.700 0.400 0.600 peak 1616 weight 0.10000E+01 volume 0.64428E+03 ppm1 3.837 ppm2 3.680 ASSI { 1624} (( segid " " and resid "20 " and name "HB2 ")) (( segid " " and resid "21 " and name "HD1 ")) 3.200 1.300 1.500 peak 1624 weight 0.10000E+01 volume 0.12608E+02 ppm1 2.820 ppm2 3.892 ASSI { 1626} (( segid " " and resid "36 " and name "HB1 ")) (( segid " " and resid "37 " and name "HD2 ")) 3.900 1.900 1.600 peak 1626 weight 0.10000E+01 volume 0.41599E+01 ppm1 2.887 ppm2 3.654 ASSI { 1628} (( segid " " and resid "36 " and name "HB1 ")) (( segid " " and resid "37 " and name "HD1 ")) 4.500 2.500 1.000 peak 1628 weight 0.10000E+01 volume 0.18226E+01 ppm1 2.870 ppm2 3.701 ASSI { 1632} (( segid " " and resid "9 " and name "HB1 ")) (( segid " " and resid "9 " and name "HB2 ")) 3.700 3.700 0.800 peak 1632 weight 0.10000E+01 volume 0.54313E+01 ppm1 2.693 ppm2 3.803 ASSI { 1634} (( segid " " and resid "17 " and name "HG1 ")) (( segid " " and resid "18 " and name "HD1 ")) 3.200 1.300 1.500 peak 1634 weight 0.10000E+01 volume 0.14384E+02 ppm1 2.430 ppm2 3.836 OR { 1634} (( segid " " and resid "17 " and name "HG2 ")) (( segid " " and resid "18 " and name "HD1 ")) ASSI { 1636} (( segid " " and resid "61 " and name "HB ")) (( segid " " and resid "61 " and name "HA ")) 2.500 0.800 1.000 peak 1636 weight 0.10000E+01 volume 0.59917E+02 ppm1 2.409 ppm2 3.895 ASSI { 1640} (( segid " " and resid "18 " and name "HB1 ")) (( segid " " and resid "18 " and name "HD2 ")) 3.100 1.200 1.400 peak 1640 weight 0.10000E+01 volume 0.16948E+02 ppm1 2.199 ppm2 3.681 ASSI { 1642} (( segid " " and resid "37 " and name "HB2 ")) (( segid " " and resid "37 " and name "HD2 ")) 3.100 1.200 1.400 peak 1642 weight 0.10000E+01 volume 0.17132E+02 ppm1 2.119 ppm2 3.653 OR { 1642} (( segid " " and resid "37 " and name "HB1 ")) (( segid " " and resid "37 " and name "HD2 ")) ASSI { 1643} (( segid " " and resid "37 " and name "HB1 ")) (( segid " " and resid "37 " and name "HD1 ")) 2.800 1.000 1.200 peak 1643 weight 0.10000E+01 volume 0.31738E+02 ppm1 2.117 ppm2 3.700 OR { 1643} (( segid " " and resid "37 " and name "HB2 ")) (( segid " " and resid "37 " and name "HD1 ")) ASSI { 1644} (( segid " " and resid "17 " and name "HB2 ")) (( segid " " and resid "18 " and name "HD2 ")) 1.800 0.400 0.600 peak 1644 weight 0.10000E+01 volume 0.44972E+03 ppm1 2.063 ppm2 3.680 ASSI { 1645} (( segid " " and resid "21 " and name "HB1 ")) (( segid " " and resid "21 " and name "HD1 ")) 2.500 0.800 1.000 peak 1645 weight 0.10000E+01 volume 0.56767E+02 ppm1 2.139 ppm2 3.892 OR { 1645} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "21 " and name "HD1 ")) ASSI { 1652} (( segid " " and resid "59 " and name "HB1 ")) (( segid " " and resid "59 " and name "HA ")) 2.100 0.600 0.800 peak 1652 weight 0.10000E+01 volume 0.15846E+03 ppm1 1.902 ppm2 3.908 ASSI { 1653} (( segid " " and resid "37 " and name "HG2 ")) (( segid " " and resid "37 " and name "HD2 ")) 2.400 0.700 0.900 peak 1653 weight 0.10000E+01 volume 0.78222E+02 ppm1 1.825 ppm2 3.654 OR { 1653} (( segid " " and resid "37 " and name "HG1 ")) (( segid " " and resid "37 " and name "HD2 ")) ASSI { 1654} (( segid " " and resid "37 " and name "HG1 ")) (( segid " " and resid "37 " and name "HD1 ")) 2.200 0.600 0.800 peak 1654 weight 0.10000E+01 volume 0.11593E+03 ppm1 1.823 ppm2 3.703 OR { 1654} (( segid " " and resid "37 " and name "HG2 ")) (( segid " " and resid "37 " and name "HD1 ")) ASSI { 1660} (( segid " " and resid "61 " and name "HG12")) (( segid " " and resid "61 " and name "HA ")) 2.500 0.800 1.000 peak 1660 weight 0.10000E+01 volume 0.60633E+02 ppm1 1.515 ppm2 3.897 ASSI { 1662} (( segid " " and resid "10 " and name "HG21") OR ( segid " " and resid "10 " and name "HG23") OR ( segid " " and resid "10 " and name "HG22")) (( segid " " and resid "10 " and name "HB ")) 1.900 0.500 0.700 peak 1662 weight 0.10000E+01 volume 0.33855E+03 ppm1 1.174 ppm2 4.151 ASSI { 1663} (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) (( segid " " and resid "32 " and name "HA ")) 2.000 0.500 0.700 peak 1663 weight 0.10000E+01 volume 0.21995E+03 ppm1 1.171 ppm2 4.269 ASSI { 1664} (( 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 "HD2 ")) 2.600 0.800 1.000 peak 1664 weight 0.10000E+01 volume 0.47076E+02 ppm1 1.081 ppm2 3.815 ASSI { 1665} (( segid " " and resid "42 " and name "HG11")) (( segid " " and resid "42 " and name "HA ")) 2.600 0.800 1.000 peak 1665 weight 0.10000E+01 volume 0.46303E+02 ppm1 1.092 ppm2 4.580 OR { 1665} (( segid " " and resid "42 " and name "HG12")) (( segid " " and resid "42 " and name "HA ")) ASSI { 1666} (( segid " " and resid "12 " and name "HG21") OR ( segid " " and resid "12 " and name "HG23") OR ( segid " " and resid "12 " and name "HG22")) (( segid " " and resid "13 " and name "HB2 ")) 3.100 1.200 1.400 peak 1666 weight 0.10000E+01 volume 0.16876E+02 ppm1 0.943 ppm2 3.797 OR { 1666} (( segid " " and resid "12 " and name "HG21") OR ( segid " " and resid "12 " and name "HG23") OR ( segid " " and resid "12 " and name "HG22")) (( segid " " and resid "13 " and name "HB1 ")) ASSI { 1670} (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) (( segid " " and resid "61 " and name "HA ")) 2.000 0.500 0.700 peak 1670 weight 0.10000E+01 volume 0.26538E+03 ppm1 0.700 ppm2 3.894 ASSI { 1671} (( 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 "HA ")) 2.100 0.600 0.800 peak 1671 weight 0.10000E+01 volume 0.19282E+03 ppm1 0.751 ppm2 4.581 ASSI { 1672} (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) (( segid " " and resid "42 " and name "HA ")) 3.100 1.200 1.400 peak 1672 weight 0.10000E+01 volume 0.16000E+02 ppm1 0.723 ppm2 4.581 ASSI { 1673} (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) (( segid " " and resid "61 " and name "HG11")) 2.000 0.500 0.700 peak 1673 weight 0.10000E+01 volume 0.21843E+03 ppm1 0.700 ppm2 1.629 ASSI { 1674} (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) 1.900 0.500 0.700 peak 1674 weight 0.10000E+01 volume 0.27239E+03 ppm1 0.762 ppm2 1.391 OR { 1674} (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) (( segid " " and resid "24 " and name "HD11") OR ( segid " " and resid "24 " and name "HD13") OR ( segid " " and resid "24 " and name "HD12")) OR { 1674} (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) ASSI { 1685} (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) (( segid " " and resid "24 " and name "HB2 ")) 2.300 2.300 2.200 peak 1685 weight 0.10000E+01 volume 0.93267E+02 ppm1 0.843 ppm2 1.684 ASSI { 1693} (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) (( segid " " and resid "25 " and name "HB2 ")) 2.200 0.600 0.800 peak 1693 weight 0.10000E+01 volume 0.13087E+03 ppm1 1.156 ppm2 1.706 ASSI { 1694} (( segid " " and resid "27 " and name "HB1 ")) (( segid " " and resid "27 " and name "HB2 ")) 1.800 0.400 0.600 peak 1694 weight 0.10000E+01 volume 0.39644E+03 ppm1 1.231 ppm2 1.892 ASSI { 1697} (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) (( segid " " and resid "24 " and name "HB2 ")) 1.900 0.500 0.700 peak 1697 weight 0.10000E+01 volume 0.27720E+03 ppm1 1.396 ppm2 1.683 OR { 1697} (( segid " " and resid "24 " and name "HD11") OR ( segid " " and resid "24 " and name "HD13") OR ( segid " " and resid "24 " and name "HD12")) (( segid " " and resid "24 " and name "HB1 ")) OR { 1697} (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) (( segid " " and resid "24 " and name "HB1 ")) ASSI { 1699} (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "54 " and name "HG ")) 2.200 0.600 0.800 peak 1699 weight 0.10000E+01 volume 0.14279E+03 ppm1 1.292 ppm2 1.648 ASSI { 1700} (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "52 " and name "HB2 ")) 2.200 0.600 0.800 peak 1700 weight 0.10000E+01 volume 0.12059E+03 ppm1 1.293 ppm2 1.728 ASSI { 1701} (( segid " " and resid "27 " and name "HG ")) (( segid " " and resid "27 " and name "HB2 ")) 2.100 0.600 0.800 peak 1701 weight 0.10000E+01 volume 0.17141E+03 ppm1 1.312 ppm2 1.892 ASSI { 1703} (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "54 " and name "HB2 ")) 2.100 2.100 2.400 peak 1703 weight 0.10000E+01 volume 0.17337E+03 ppm1 1.292 ppm2 1.443 OR { 1703} (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "54 " and name "HB1 ")) ASSI { 1705} (( segid " " and resid "26 " and name "HG2 ")) (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) 1.800 0.400 0.600 peak 1705 weight 0.10000E+01 volume 0.45624E+03 ppm1 1.384 ppm2 1.154 OR { 1705} (( segid " " and resid "26 " and name "HG1 ")) (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) ASSI { 1712} (( segid " " and resid "61 " and name "HG12")) (( segid " " and resid "61 " and name "HG11")) 1.400 0.200 0.800 peak 1712 weight 0.10000E+01 volume 0.21124E+04 ppm1 1.514 ppm2 1.622 ASSI { 1719} (( segid " " and resid "47 " and name "HB2 ")) (( segid " " and resid "47 " and name "HB1 ")) 1.700 0.400 0.600 peak 1719 weight 0.10000E+01 volume 0.70326E+03 ppm1 1.747 ppm2 1.925 ASSI { 1726} (( segid " " and resid "64 " and name "HB2 ")) (( segid " " and resid "64 " and name "HG ")) 1.900 0.500 0.700 peak 1726 weight 0.10000E+01 volume 0.28169E+03 ppm1 2.055 ppm2 1.592 OR { 1726} (( segid " " and resid "64 " and name "HB1 ")) (( segid " " and resid "64 " and name "HG ")) ASSI { 1728} (( segid " " and resid "8 " and name "HB1 ")) (( segid " " and resid "8 " and name "HG2 ")) 1.700 0.400 0.600 peak 1728 weight 0.10000E+01 volume 0.68148E+03 ppm1 1.997 ppm2 1.692 OR { 1728} (( segid " " and resid "8 " and name "HB2 ")) (( segid " " and resid "8 " and name "HG2 ")) ASSI { 1736} (( segid " " and resid "57 " and name "HB1 ")) (( segid " " and resid "57 " and name "HB2 ")) 1.700 0.400 0.600 peak 1736 weight 0.10000E+01 volume 0.62661E+03 ppm1 2.236 ppm2 1.823 ASSI { 1741} (( segid " " and resid "40 " and name "HG1 ")) (( segid " " and resid "40 " and name "HB2 ")) 1.800 0.400 0.600 peak 1741 weight 0.10000E+01 volume 0.50792E+03 ppm1 2.555 ppm2 1.886 OR { 1741} (( segid " " and resid "40 " and name "HG2 ")) (( segid " " and resid "40 " and name "HB2 ")) ASSI { 1755} (( segid " " and resid "35 " and name "HB2 ")) (( segid " " and resid "34 " and name "HG1 ")) 3.000 1.100 1.300 peak 1755 weight 0.10000E+01 volume 0.18763E+02 ppm1 3.289 ppm2 1.695 OR { 1755} (( segid " " and resid "35 " and name "HB2 ")) (( segid " " and resid "34 " and name "HG2 ")) ASSI { 1762} (( segid " " and resid "35 " and name "HB2 ")) (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) 3.400 1.400 1.600 peak 1762 weight 0.10000E+01 volume 0.89844E+01 ppm1 3.284 ppm2 1.165 ASSI { 1765} (( segid " " and resid "18 " and name "HD2 ")) (( segid " " and resid "18 " and name "HG2 ")) 2.600 0.800 1.000 peak 1765 weight 0.10000E+01 volume 0.45182E+02 ppm1 3.683 ppm2 1.892 ASSI { 1766} (( segid " " and resid "65 " and name "HA ")) (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) 2.200 2.200 2.300 peak 1766 weight 0.10000E+01 volume 0.12397E+03 ppm1 3.909 ppm2 1.395 OR { 1766} (( segid " " and resid "65 " and name "HA ")) (( segid " " and resid "24 " and name "HD11") OR ( segid " " and resid "24 " and name "HD13") OR ( segid " " and resid "24 " and name "HD12")) ASSI { 1771} (( segid " " and resid "49 " and name "HA2 ")) (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) 2.400 0.700 0.900 peak 1771 weight 0.10000E+01 volume 0.71119E+02 ppm1 3.916 ppm2 1.156 OR { 1771} (( segid " " and resid "49 " and name "HA1 ")) (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) ASSI { 1774} (( segid " " and resid "34 " and name "HA ")) (( segid " " and resid "34 " and name "HB1 ")) 2.200 0.600 0.800 peak 1774 weight 0.10000E+01 volume 0.12765E+03 ppm1 3.968 ppm2 1.789 ASSI { 1775} (( segid " " and resid "44 " and name "HB ")) (( segid " " and resid "26 " and name "HB1 ")) 2.500 0.800 1.000 peak 1775 weight 0.10000E+01 volume 0.56599E+02 ppm1 3.950 ppm2 1.792 ASSI { 1782} (( segid " " and resid "50 " and name "HA ")) (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) 2.200 2.200 2.300 peak 1782 weight 0.10000E+01 volume 0.12603E+03 ppm1 4.170 ppm2 1.173 ASSI { 1786} (( segid " " and resid "10 " and name "HA ")) (( segid " " and resid "10 " and name "HG21") OR ( segid " " and resid "10 " and name "HG23") OR ( segid " " and resid "10 " and name "HG22")) 2.000 0.500 0.700 peak 1786 weight 0.10000E+01 volume 0.22660E+03 ppm1 4.253 ppm2 1.174 ASSI { 1787} (( segid " " and resid "60 " and name "HA ")) (( segid " " and resid "60 " and name "HB1 ") OR ( segid " " and resid "60 " and name "HB3 ") OR ( segid " " and resid "60 " and name "HB2 ")) 2.000 0.500 0.700 peak 1787 weight 0.10000E+01 volume 0.22054E+03 ppm1 4.214 ppm2 1.439 ASSI { 1788} (( segid " " and resid "67 " and name "HA ")) (( segid " " and resid "67 " and name "HB1 ") OR ( segid " " and resid "67 " and name "HB3 ") OR ( segid " " and resid "67 " and name "HB2 ")) 2.200 0.600 0.800 peak 1788 weight 0.10000E+01 volume 0.11557E+03 ppm1 4.269 ppm2 1.558 ASSI { 1792} (( segid " " and resid "39 " and name "HA ")) (( segid " " and resid "39 " and name "HB ")) 3.300 1.400 1.600 peak 1792 weight 0.10000E+01 volume 0.10690E+02 ppm1 4.216 ppm2 1.866 ASSI { 1809} (( segid " " and resid "7 " and name "HA ")) (( segid " " and resid "7 " and name "HG11") OR ( segid " " and resid "7 " and name "HG13") OR ( segid " " and resid "7 " and name "HG12")) 2.300 0.700 0.900 peak 1809 weight 0.10000E+01 volume 0.93175E+02 ppm1 4.267 ppm2 0.953 ASSI { 1812} (( segid " " and resid "12 " and name "HA ")) (( segid " " and resid "12 " and name "HG21") OR ( segid " " and resid "12 " and name "HG23") OR ( segid " " and resid "12 " and name "HG22")) 2.400 0.700 0.900 peak 1812 weight 0.10000E+01 volume 0.83932E+02 ppm1 4.106 ppm2 0.943 ASSI { 1818} (( segid " " and resid "65 " and name "HA ")) (( segid " " and resid "29 " and name "HG21") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG22")) 2.100 0.600 0.800 peak 1818 weight 0.10000E+01 volume 0.18571E+03 ppm1 3.906 ppm2 0.873 ASSI { 1822} (( segid " " and resid "65 " and name "HA ")) (( segid " " and resid "68 " and name "HG21") OR ( segid " " and resid "68 " and name "HG23") OR ( segid " " and resid "68 " and name "HG22")) 2.300 0.700 0.900 peak 1822 weight 0.10000E+01 volume 0.96918E+02 ppm1 3.914 ppm2 0.992 ASSI { 1840} (( segid " " and resid "61 " and name "HB ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) 2.200 0.600 0.800 peak 1840 weight 0.10000E+01 volume 0.14064E+03 ppm1 2.406 ppm2 0.759 ASSI { 1844} (( segid " " and resid "68 " and name "HB ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) 4.200 2.200 1.300 peak 1844 weight 0.10000E+01 volume 0.27139E+01 ppm1 2.245 ppm2 0.765 OR { 1844} (( segid " " and resid "68 " and name "HB ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) ASSI { 1853} (( segid " " and resid "7 " and name "HB ")) (( segid " " and resid "7 " and name "HG11") OR ( segid " " and resid "7 " and name "HG13") OR ( segid " " and resid "7 " and name "HG12")) 2.100 0.600 0.800 peak 1853 weight 0.10000E+01 volume 0.17376E+03 ppm1 2.081 ppm2 0.953 ASSI { 1854} (( segid " " and resid "41 " and name "HB ")) (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) 1.900 0.500 0.700 peak 1854 weight 0.10000E+01 volume 0.33283E+03 ppm1 1.893 ppm2 0.717 ASSI { 1856} (( segid " " and resid "39 " and name "HB ")) (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) 1.700 0.400 0.600 peak 1856 weight 0.10000E+01 volume 0.61494E+03 ppm1 1.872 ppm2 0.826 ASSI { 1859} (( segid " " and resid "42 " and name "HB ")) (( segid " " and resid "42 " and name "HG21") OR ( segid " " and resid "42 " and name "HG23") OR ( segid " " and resid "42 " and name "HG22")) 1.800 0.400 0.600 peak 1859 weight 0.10000E+01 volume 0.38557E+03 ppm1 1.824 ppm2 0.752 ASSI { 1861} (( segid " " and resid "29 " and name "HB ")) (( segid " " and resid "29 " and name "HG11")) 2.600 0.800 1.000 peak 1861 weight 0.10000E+01 volume 0.49862E+02 ppm1 1.753 ppm2 0.948 OR { 1861} (( segid " " and resid "29 " and name "HB ")) (( segid " " and resid "29 " and name "HG12")) ASSI { 1862} (( segid " " and resid "37 " and name "HG1 ")) (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) 3.300 1.400 1.600 peak 1862 weight 0.10000E+01 volume 0.11586E+02 ppm1 1.816 ppm2 1.162 OR { 1862} (( segid " " and resid "37 " and name "HG2 ")) (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) ASSI { 1864} (( segid " " and resid "24 " and name "HB2 ")) (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) 2.300 2.300 2.200 peak 1864 weight 0.10000E+01 volume 0.99806E+02 ppm1 1.686 ppm2 0.838 OR { 1864} (( segid " " and resid "24 " and name "HB1 ")) (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) ASSI { 1867} (( segid " " and resid "54 " and name "HG ")) (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) 1.700 0.400 0.600 peak 1867 weight 0.10000E+01 volume 0.58775E+03 ppm1 1.649 ppm2 0.726 ASSI { 1868} (( segid " " and resid "54 " and name "HG ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) 1.700 1.700 2.800 peak 1868 weight 0.10000E+01 volume 0.63081E+03 ppm1 1.648 ppm2 0.771 OR { 1868} (( segid " " and resid "54 " and name "HG ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) ASSI { 1871} (( segid " " and resid "64 " and name "HG ")) (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) 1.700 0.400 0.600 peak 1871 weight 0.10000E+01 volume 0.51970E+03 ppm1 1.590 ppm2 0.837 OR { 1871} (( segid " " and resid "64 " and name "HG ")) (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) ASSI { 1872} (( segid " " and resid "64 " and name "HG ")) (( segid " " and resid "68 " and name "HG21") OR ( segid " " and resid "68 " and name "HG23") OR ( segid " " and resid "68 " and name "HG22")) 2.200 0.600 0.800 peak 1872 weight 0.10000E+01 volume 0.13949E+03 ppm1 1.592 ppm2 0.993 ASSI { 1874} (( segid " " and resid "64 " and name "HG ")) (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) 2.300 2.300 2.200 peak 1874 weight 0.10000E+01 volume 0.11110E+03 ppm1 1.598 ppm2 1.291 ASSI { 1878} (( segid " " and resid "61 " and name "HG12")) (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) 1.800 0.400 0.600 peak 1878 weight 0.10000E+01 volume 0.44329E+03 ppm1 1.512 ppm2 0.704 ASSI { 1879} (( segid " " and resid "61 " and name "HG12")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) 1.700 0.400 0.600 peak 1879 weight 0.10000E+01 volume 0.60760E+03 ppm1 1.511 ppm2 0.758 ASSI { 1884} (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) 2.300 0.700 0.900 peak 1884 weight 0.10000E+01 volume 0.91816E+02 ppm1 1.403 ppm2 0.837 OR { 1884} (( segid " " and resid "24 " and name "HD11") OR ( segid " " and resid "24 " and name "HD13") OR ( segid " " and resid "24 " and name "HD12")) (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) ASSI { 1885} (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) (( segid " " and resid "64 " and name "HG ")) 2.200 0.600 0.800 peak 1885 weight 0.10000E+01 volume 0.13626E+03 ppm1 1.396 ppm2 1.591 OR { 1885} (( segid " " and resid "24 " and name "HD11") OR ( segid " " and resid "24 " and name "HD13") OR ( segid " " and resid "24 " and name "HD12")) (( segid " " and resid "64 " and name "HG ")) ASSI { 1887} (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) 1.800 0.400 0.600 peak 1887 weight 0.10000E+01 volume 0.41725E+03 ppm1 1.293 ppm2 0.767 OR { 1887} (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) ASSI { 1893} (( segid " " and resid "68 " and name "HG21") OR ( segid " " and resid "68 " and name "HG23") OR ( segid " " and resid "68 " and name "HG22")) (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) 2.300 0.700 0.900 peak 1893 weight 0.10000E+01 volume 0.92139E+02 ppm1 0.991 ppm2 0.835 OR { 1893} (( segid " " and resid "68 " and name "HG21") OR ( segid " " and resid "68 " and name "HG23") OR ( segid " " and resid "68 " and name "HG22")) (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) ASSI { 1894} (( segid " " and resid "68 " and name "HG21") OR ( segid " " and resid "68 " and name "HG23") OR ( segid " " and resid "68 " and name "HG22")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) 2.400 0.700 0.900 peak 1894 weight 0.10000E+01 volume 0.74545E+02 ppm1 0.996 ppm2 0.766 OR { 1894} (( segid " " and resid "68 " and name "HG21") OR ( segid " " and resid "68 " and name "HG23") OR ( segid " " and resid "68 " and name "HG22")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) ASSI { 1903} (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) (( segid " " and resid "20 " and name "HD21")) 5.000 3.100 0.500 peak 1903 weight 0.10000E+01 volume -0.68000E-01 ppm1 0.835 ppm2 7.549 OR { 1903} (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) (( segid " " and resid "20 " and name "HD21")) ASSI { 1908} (( segid " " and resid "53 " and name "HA ")) (( segid " " and resid "54 " and name "HN ")) 4.400 2.400 1.100 peak 1908 weight 0.10000E+01 volume 0.20760E+01 ppm1 5.802 ppm2 8.893 ASSI { 1910} (( segid " " and resid "53 " and name "HA ")) (( segid " " and resid "43 " and name "HN ")) 4.900 3.000 0.600 peak 1910 weight 0.10000E+01 volume 0.10747E+01 ppm1 5.803 ppm2 9.495 ASSI { 1911} (( segid " " and resid "51 " and name "HA ")) (( segid " " and resid "52 " and name "HN ")) 4.500 2.500 1.000 peak 1911 weight 0.10000E+01 volume 0.18939E+01 ppm1 5.346 ppm2 9.066 ASSI { 1912} (( segid " " and resid "51 " and name "HA ")) (( segid " " and resid "45 " and name "HN ")) 5.000 3.100 0.500 peak 1912 weight 0.10000E+01 volume -0.26900E+00 ppm1 5.344 ppm2 9.269 ASSI { 1913} (( segid " " and resid "43 " and name "HA ")) (( segid " " and resid "44 " and name "HN ")) 4.300 2.300 1.200 peak 1913 weight 0.10000E+01 volume 0.23084E+01 ppm1 5.029 ppm2 8.560 ASSI { 1922} (( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "30 " and name "HN ")) 5.000 3.100 0.500 peak 1922 weight 0.10000E+01 volume -0.11260E+01 ppm1 1.131 ppm2 9.636 ASSI { 1924} (( segid " " and resid "39 " and name "HG21") OR ( segid " " and resid "39 " and name "HG23") OR ( segid " " and resid "39 " and name "HG22")) (( segid " " and resid "30 " and name "HN ")) 5.000 3.100 0.500 peak 1924 weight 0.10000E+01 volume -0.40700E+00 ppm1 1.044 ppm2 9.638 OR { 1924} (( segid " " and resid "39 " and name "HG11") OR ( segid " " and resid "39 " and name "HG13") OR ( segid " " and resid "39 " and name "HG12")) (( segid " " and resid "30 " and name "HN ")) ASSI { 1927} (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) (( segid " " and resid "43 " and name "HN ")) 5.500 3.800 0.000 peak 1927 weight 0.10000E+01 volume 0.57400E-01 ppm1 0.725 ppm2 9.494 ASSI { 1929} (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) (( segid " " and resid "43 " and name "HN ")) 4.300 2.300 1.200 peak 1929 weight 0.10000E+01 volume 0.23959E+01 ppm1 0.765 ppm2 9.496 OR { 1929} (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) (( segid " " and resid "43 " and name "HN ")) ASSI { 1930} (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "43 " and name "HN ")) 4.700 2.800 0.800 peak 1930 weight 0.10000E+01 volume 0.13011E+01 ppm1 1.292 ppm2 9.496 ASSI { 1931} (( segid " " and resid "30 " and name "HG12")) (( segid " " and resid "30 " and name "HN ")) 5.000 3.100 0.500 peak 1931 weight 0.10000E+01 volume -0.16330E+01 ppm1 1.458 ppm2 9.637 ASSI { 1934} (( segid " " and resid "24 " and name "HD11") OR ( segid " " and resid "24 " and name "HD13") OR ( segid " " and resid "24 " and name "HD12")) (( segid " " and resid "25 " and name "HN ")) 5.000 3.100 0.500 peak 1934 weight 0.10000E+01 volume -0.62000E+00 ppm1 1.399 ppm2 9.394 OR { 1934} (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) (( segid " " and resid "25 " and name "HN ")) ASSI { 1935} (( segid " " and resid "25 " and name "HB1 ")) (( segid " " and resid "25 " and name "HN ")) 5.000 3.100 0.500 peak 1935 weight 0.10000E+01 volume -0.16100E+01 ppm1 1.687 ppm2 9.394 OR { 1935} (( segid " " and resid "25 " and name "HB2 ")) (( segid " " and resid "25 " and name "HN ")) ASSI { 1939} (( segid " " and resid "54 " and name "HB2 ")) (( segid " " and resid "41 " and name "HN ")) 5.000 3.100 0.500 peak 1939 weight 0.10000E+01 volume -0.18020E+01 ppm1 1.431 ppm2 9.301 ASSI { 1944} (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) (( segid " " and resid "45 " and name "HN ")) 5.000 3.100 0.500 peak 1944 weight 0.10000E+01 volume -0.76000E-01 ppm1 1.157 ppm2 9.273 ASSI { 1946} (( segid " " and resid "41 " and name "HB ")) (( segid " " and resid "41 " and name "HN ")) 4.000 2.000 1.500 peak 1946 weight 0.10000E+01 volume 0.34340E+01 ppm1 1.895 ppm2 9.301 ASSI { 1949} (( segid " " and resid "30 " and name "HB ")) (( segid " " and resid "30 " and name "HN ")) 5.000 3.100 0.500 peak 1949 weight 0.10000E+01 volume 0.92540E+00 ppm1 2.134 ppm2 9.638 ASSI { 1950} (( segid " " and resid "40 " and name "HB1 ")) (( segid " " and resid "41 " and name "HN ")) 4.900 3.000 0.600 peak 1950 weight 0.10000E+01 volume 0.10985E+01 ppm1 2.055 ppm2 9.302 ASSI { 1953} (( segid " " and resid "45 " and name "HB1 ")) (( segid " " and resid "45 " and name "HN ")) 5.200 3.400 0.300 peak 1953 weight 0.10000E+01 volume 0.72680E+00 ppm1 2.403 ppm2 9.274 ASSI { 1954} (( segid " " and resid "45 " and name "HG1 ")) (( segid " " and resid "45 " and name "HN ")) 5.000 3.100 0.500 peak 1954 weight 0.10000E+01 volume -0.28200E+00 ppm1 2.500 ppm2 9.274 ASSI { 1960} (( segid " " and resid "11 " and name "HB2 ")) (( segid " " and resid "11 " and name "HN ")) 5.000 3.100 0.500 peak 1960 weight 0.10000E+01 volume -0.10170E+01 ppm1 2.769 ppm2 9.357 ASSI { 1961} (( segid " " and resid "53 " and name "HB1 ")) (( segid " " and resid "11 " and name "HN ")) 5.000 3.100 0.500 peak 1961 weight 0.10000E+01 volume -0.28300E+00 ppm1 3.261 ppm2 9.357 ASSI { 1962} (( segid " " and resid "11 " and name "HB1 ")) (( segid " " and resid "11 " and name "HN ")) 5.000 3.100 0.500 peak 1962 weight 0.10000E+01 volume -0.27300E+00 ppm1 3.276 ppm2 9.357 ASSI { 1967} (( segid " " and resid "7 " and name "HA ")) (( segid " " and resid "8 " and name "HN ")) 4.100 2.100 1.400 peak 1967 weight 0.10000E+01 volume 0.29072E+01 ppm1 4.266 ppm2 8.586 ASSI { 1968} (( segid " " and resid "19 " and name "HA ")) (( segid " " and resid "20 " and name "HN ")) 4.700 2.800 0.800 peak 1968 weight 0.10000E+01 volume 0.14030E+01 ppm1 4.250 ppm2 8.548 ASSI { 1969} (( segid " " and resid "14 " and name "HA ")) (( segid " " and resid "14 " and name "HN ")) 4.800 2.900 0.700 peak 1969 weight 0.10000E+01 volume 0.11827E+01 ppm1 4.223 ppm2 8.497 ASSI { 1974} (( segid " " and resid "32 " and name "HA ")) (( segid " " and resid "33 " and name "HN ")) 5.000 3.100 0.500 peak 1974 weight 0.10000E+01 volume -0.12820E+01 ppm1 4.272 ppm2 8.851 ASSI { 1985} (( segid " " and resid "59 " and name "HA ")) (( segid " " and resid "60 " and name "HN ")) 5.300 3.500 0.200 peak 1985 weight 0.10000E+01 volume 0.67630E+00 ppm1 3.911 ppm2 8.214 ASSI { 1994} (( segid " " and resid "15 " and name "HB1 ")) (( segid " " and resid "16 " and name "HN ")) 5.000 3.100 0.500 peak 1994 weight 0.10000E+01 volume -0.12800E+00 ppm1 3.841 ppm2 8.964 ASSI { 1996} (( segid " " and resid "35 " and name "HB2 ")) (( segid " " and resid "8 " and name "HN ")) 5.500 3.800 0.000 peak 1996 weight 0.10000E+01 volume 0.40500E-01 ppm1 3.287 ppm2 8.588 ASSI { 1997} (( segid " " and resid "11 " and name "HB1 ")) (( segid " " and resid "12 " and name "HN ")) 5.000 3.100 0.500 peak 1997 weight 0.10000E+01 volume -0.80900E+00 ppm1 3.274 ppm2 8.689 ASSI { 2000} (( segid " " and resid "16 " and name "HB2 ")) (( segid " " and resid "16 " and name "HN ")) 4.500 2.500 1.000 peak 2000 weight 0.10000E+01 volume 0.17654E+01 ppm1 3.002 ppm2 8.964 ASSI { 2002} (( segid " " and resid "20 " and name "HB2 ")) (( segid " " and resid "20 " and name "HN ")) 5.000 3.100 0.500 peak 2002 weight 0.10000E+01 volume -0.18400E+00 ppm1 2.803 ppm2 8.547 ASSI { 2009} (( segid " " and resid "57 " and name "HG2 ")) (( segid " " and resid "55 " and name "HN ")) 4.500 2.500 1.000 peak 2009 weight 0.10000E+01 volume 0.18911E+01 ppm1 2.682 ppm2 8.478 ASSI { 2014} (( segid " " and resid "40 " and name "HG2 ")) (( segid " " and resid "40 " and name "HN ")) 5.200 3.400 0.300 peak 2014 weight 0.10000E+01 volume 0.71580E+00 ppm1 2.555 ppm2 8.410 OR { 2014} (( segid " " and resid "40 " and name "HG1 ")) (( segid " " and resid "40 " and name "HN ")) ASSI { 2016} (( segid " " and resid "45 " and name "HB1 ")) (( segid " " and resid "46 " and name "HN ")) 4.700 2.800 0.800 peak 2016 weight 0.10000E+01 volume 0.14305E+01 ppm1 2.403 ppm2 8.225 ASSI { 2017} (( segid " " and resid "61 " and name "HB ")) (( segid " " and resid "62 " and name "HN ")) 5.000 3.100 0.500 peak 2017 weight 0.10000E+01 volume -0.65000E+00 ppm1 2.406 ppm2 8.308 ASSI { 2018} (( segid " " and resid "57 " and name "HG1 ")) (( segid " " and resid "55 " and name "HN ")) 5.000 3.100 0.500 peak 2018 weight 0.10000E+01 volume -0.53700E+00 ppm1 2.369 ppm2 8.481 ASSI { 2019} (( segid " " and resid "28 " and name "HG1 ")) (( segid " " and resid "28 " and name "HN ")) 5.000 3.100 0.500 peak 2019 weight 0.10000E+01 volume -0.24700E+00 ppm1 2.245 ppm2 8.483 ASSI { 2032} (( segid " " and resid "54 " and name "HB2 ")) (( segid " " and resid "54 " and name "HN ")) 4.500 2.500 1.000 peak 2032 weight 0.10000E+01 volume 0.18570E+01 ppm1 1.433 ppm2 8.893 ASSI { 2034} (( segid " " and resid "34 " and name "HB2 ")) (( segid " " and resid "34 " and name "HN ")) 5.000 3.100 0.500 peak 2034 weight 0.10000E+01 volume 0.90320E+00 ppm1 1.612 ppm2 8.812 ASSI { 2041} (( segid " " and resid "14 " and name "HB ")) (( segid " " and resid "15 " and name "HN ")) 5.000 3.100 0.500 peak 2041 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.712 ppm2 8.697 ASSI { 2046} (( segid " " and resid "28 " and name "HB1 ")) (( segid " " and resid "28 " and name "HN ")) 4.700 2.800 0.800 peak 2046 weight 0.10000E+01 volume 0.13387E+01 ppm1 1.967 ppm2 8.482 ASSI { 2047} (( segid " " and resid "50 " and name "HB2 ")) (( segid " " and resid "51 " and name "HN ")) 4.600 2.600 0.900 peak 2047 weight 0.10000E+01 volume 0.15655E+01 ppm1 1.907 ppm2 8.482 OR { 2047} (( segid " " and resid "50 " and name "HB1 ")) (( segid " " and resid "51 " and name "HN ")) ASSI { 2048} (( segid " " and resid "42 " and name "HB ")) (( segid " " and resid "28 " and name "HN ")) 5.000 3.100 0.500 peak 2048 weight 0.10000E+01 volume 0.90630E+00 ppm1 1.821 ppm2 8.482 ASSI { 2053} (( segid " " and resid "29 " and name "HB ")) (( segid " " and resid "29 " and name "HN ")) 3.600 1.600 1.800 peak 2053 weight 0.10000E+01 volume 0.71590E+01 ppm1 1.750 ppm2 8.451 ASSI { 2054} (( segid " " and resid "14 " and name "HB ")) (( segid " " and resid "14 " and name "HN ")) 4.400 2.400 1.100 peak 2054 weight 0.10000E+01 volume 0.20936E+01 ppm1 1.719 ppm2 8.492 ASSI { 2055} (( segid " " and resid "61 " and name "HG11")) (( segid " " and resid "55 " and name "HN ")) 5.500 3.800 0.000 peak 2055 weight 0.10000E+01 volume 0.28450E+00 ppm1 1.635 ppm2 8.479 ASSI { 2056} (( segid " " and resid "52 " and name "HB1 ")) (( segid " " and resid "51 " and name "HN ")) 5.200 3.400 0.300 peak 2056 weight 0.10000E+01 volume 0.73850E+00 ppm1 1.611 ppm2 8.480 ASSI { 2059} (( segid " " and resid "54 " and name "HB1 ")) (( segid " " and resid "55 " and name "HN ")) 5.000 3.100 0.500 peak 2059 weight 0.10000E+01 volume -0.11360E+01 ppm1 1.437 ppm2 8.479 OR { 2059} (( segid " " and resid "54 " and name "HB2 ")) (( segid " " and resid "55 " and name "HN ")) ASSI { 2065} (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) (( segid " " and resid "65 " and name "HN ")) 4.800 2.900 0.700 peak 2065 weight 0.10000E+01 volume 0.12055E+01 ppm1 1.395 ppm2 8.307 OR { 2065} (( segid " " and resid "24 " and name "HD11") OR ( segid " " and resid "24 " and name "HD13") OR ( segid " " and resid "24 " and name "HD12")) (( segid " " and resid "65 " and name "HN ")) ASSI { 2066} (( segid " " and resid "60 " and name "HB1 ") OR ( segid " " and resid "60 " and name "HB3 ") OR ( segid " " and resid "60 " and name "HB2 ")) (( segid " " and resid "62 " and name "HN ")) 4.100 2.100 1.400 peak 2066 weight 0.10000E+01 volume 0.30446E+01 ppm1 1.434 ppm2 8.306 ASSI { 2068} (( segid " " and resid "40 " and name "HB2 ")) (( segid " " and resid "40 " and name "HN ")) 5.000 3.100 0.500 peak 2068 weight 0.10000E+01 volume -0.62800E+00 ppm1 1.907 ppm2 8.409 ASSI { 2070} (( segid " " and resid "39 " and name "HB ")) (( segid " " and resid "39 " and name "HN ")) 4.600 2.600 0.900 peak 2070 weight 0.10000E+01 volume 0.15260E+01 ppm1 1.870 ppm2 8.256 ASSI { 2071} (( segid " " and resid "59 " and name "HB2 ")) (( segid " " and resid "60 " and name "HN ")) 5.000 3.100 0.500 peak 2071 weight 0.10000E+01 volume -0.75000E-01 ppm1 1.919 ppm2 8.217 ASSI { 2094} (( segid " " and resid "29 " and name "HG21") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG22")) (( segid " " and resid "65 " and name "HN ")) 3.800 1.800 1.700 peak 2094 weight 0.10000E+01 volume 0.52480E+01 ppm1 0.873 ppm2 8.295 ASSI { 2096} (( 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 "40 " and name "HN ")) 4.900 3.000 0.600 peak 2096 weight 0.10000E+01 volume 0.10632E+01 ppm1 1.082 ppm2 8.413 ASSI { 2099} (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) (( segid " " and resid "20 " and name "HN ")) 5.000 3.100 0.500 peak 2099 weight 0.10000E+01 volume -0.86120E+01 ppm1 0.761 ppm2 8.545 OR { 2099} (( segid " " and resid "19 " and name "HG21") OR ( segid " " and resid "19 " and name "HG23") OR ( segid " " and resid "19 " and name "HG22")) (( segid " " and resid "20 " and name "HN ")) ASSI { 2100} (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) (( segid " " and resid "55 " and name "HN ")) 5.000 3.100 0.500 peak 2100 weight 0.10000E+01 volume -0.60600E+00 ppm1 0.700 ppm2 8.477 ASSI { 2101} (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) (( segid " " and resid "55 " and name "HN ")) 5.000 3.100 0.500 peak 2101 weight 0.10000E+01 volume -0.87400E+01 ppm1 0.731 ppm2 8.475 ASSI { 2102} (( segid " " and resid "65 " and name "HD21") OR ( segid " " and resid "65 " and name "HD23") OR ( segid " " and resid "65 " and name "HD22")) (( segid " " and resid "40 " and name "HN ")) 4.500 2.500 1.000 peak 2102 weight 0.10000E+01 volume 0.18121E+01 ppm1 0.761 ppm2 8.420 OR { 2102} (( segid " " and resid "65 " and name "HD11") OR ( segid " " and resid "65 " and name "HD13") OR ( segid " " and resid "65 " and name "HD12")) (( segid " " and resid "40 " and name "HN ")) ASSI { 2103} (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) (( segid " " and resid "38 " and name "HN ")) 4.500 2.500 1.000 peak 2103 weight 0.10000E+01 volume 0.17489E+01 ppm1 1.171 ppm2 7.918 ASSI { 2104} (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) (( segid " " and resid "26 " and name "HN ")) 5.000 3.100 0.500 peak 2104 weight 0.10000E+01 volume -0.11910E+01 ppm1 1.157 ppm2 7.766 ASSI { 2105} (( segid " " and resid "68 " and name "HG21") OR ( segid " " and resid "68 " and name "HG23") OR ( segid " " and resid "68 " and name "HG22")) (( segid " " and resid "69 " and name "HN ")) 5.000 3.100 0.500 peak 2105 weight 0.10000E+01 volume -0.11950E+01 ppm1 0.991 ppm2 7.945 ASSI { 2106} (( segid " " and resid "68 " and name "HG11") OR ( segid " " and resid "68 " and name "HG13") OR ( segid " " and resid "68 " and name "HG12")) (( segid " " and resid "69 " and name "HN ")) 5.000 3.100 0.500 peak 2106 weight 0.10000E+01 volume -0.29310E+01 ppm1 0.964 ppm2 7.944 ASSI { 2108} (( segid " " and resid "12 " and name "HG21") OR ( segid " " and resid "12 " and name "HG23") OR ( segid " " and resid "12 " and name "HG22")) (( segid " " and resid "13 " and name "HN ")) 4.500 2.500 1.000 peak 2108 weight 0.10000E+01 volume 0.16833E+01 ppm1 0.944 ppm2 7.796 ASSI { 2110} (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) (( segid " " and resid "19 " and name "HN ")) 5.000 3.100 0.500 peak 2110 weight 0.10000E+01 volume -0.16000E-01 ppm1 0.768 ppm2 7.550 ASSI { 2121} (( segid " " and resid "57 " and name "HB2 ")) (( segid " " and resid "58 " and name "HN ")) 5.000 3.100 0.500 peak 2121 weight 0.10000E+01 volume -0.14640E+01 ppm1 1.829 ppm2 7.286 ASSI { 2122} (( segid " " and resid "34 " and name "HG1 ")) (( segid " " and resid "35 " and name "HD1 ") OR ( segid " " and resid "35 " and name "HD2 ")) 3.300 1.400 1.600 peak 2122 weight 0.10000E+01 volume 0.11619E+02 ppm1 1.702 ppm2 7.264 OR { 2122} (( segid " " and resid "34 " and name "HG2 ")) (( segid " " and resid "35 " and name "HD1 ") OR ( segid " " and resid "35 " and name "HD2 ")) ASSI { 2123} (( segid " " and resid "47 " and name "HB2 ")) (( segid " " and resid "24 " and name "HN ")) 5.500 3.800 0.000 peak 2123 weight 0.10000E+01 volume 0.23690E+00 ppm1 1.746 ppm2 7.259 ASSI { 2135} (( segid " " and resid "64 " and name "HG ")) (( segid " " and resid "66 " and name "HN ")) 4.600 2.600 0.900 peak 2135 weight 0.10000E+01 volume 0.16442E+01 ppm1 1.589 ppm2 7.520 ASSI { 2136} (( segid " " and resid "66 " and name "HB1 ")) (( segid " " and resid "66 " and name "HN ")) 5.000 3.100 0.500 peak 2136 weight 0.10000E+01 volume -0.60200E+00 ppm1 1.618 ppm2 7.519 ASSI { 2141} (( segid " " and resid "18 " and name "HG2 ")) (( segid " " and resid "19 " and name "HN ")) 5.000 3.100 0.500 peak 2141 weight 0.10000E+01 volume 0.89930E+00 ppm1 1.907 ppm2 7.549 ASSI { 2155} (( segid " " and resid "56 " and name "HG2 ")) (( segid " " and resid "57 " and name "HN ")) 4.300 2.300 1.200 peak 2155 weight 0.10000E+01 volume 0.24651E+01 ppm1 2.010 ppm2 7.657 ASSI { 2174} (( segid " " and resid "11 " and name "HB2 ")) (( segid " " and resid "13 " and name "HN ")) 5.000 3.100 0.500 peak 2174 weight 0.10000E+01 volume -0.65300E+00 ppm1 2.769 ppm2 7.795 ASSI { 2177} (( segid " " and resid "17 " and name "HG2 ")) (( segid " " and resid "17 " and name "HN ")) 5.000 3.100 0.500 peak 2177 weight 0.10000E+01 volume -0.28000E-01 ppm1 2.429 ppm2 7.928 OR { 2177} (( segid " " and resid "17 " and name "HG1 ")) (( segid " " and resid "17 " and name "HN ")) ASSI { 2180} (( segid " " and resid "68 " and name "HB ")) (( segid " " and resid "69 " and name "HN ")) 4.500 2.500 1.000 peak 2180 weight 0.10000E+01 volume 0.17621E+01 ppm1 2.245 ppm2 7.945 ASSI { 2185} (( segid " " and resid "16 " and name "HB2 ")) (( segid " " and resid "20 " and name "HD21")) 5.000 3.100 0.500 peak 2185 weight 0.10000E+01 volume -0.29300E+00 ppm1 3.004 ppm2 7.552 ASSI { 2194} (( segid " " and resid "36 " and name "HB2 ")) (( segid " " and resid "36 " and name "HN ")) 3.300 1.400 1.600 peak 2194 weight 0.10000E+01 volume 0.10662E+02 ppm1 3.309 ppm2 7.245 ASSI { 2200} (( segid " " and resid "35 " and name "HB2 ")) (( segid " " and resid "35 " and name "HN ")) 5.000 3.100 0.500 peak 2200 weight 0.10000E+01 volume -0.71000E-01 ppm1 3.272 ppm2 7.717 ASSI { 2224} (( segid " " and resid "34 " and name "HA ")) (( segid " " and resid "35 " and name "HN ")) 4.700 2.800 0.800 peak 2224 weight 0.10000E+01 volume 0.13470E+01 ppm1 3.978 ppm2 7.714 ASSI { 2229} (( segid " " and resid "20 " and name "HB2 ")) (( segid " " and resid "20 " and name "HD21")) 5.000 3.100 0.500 peak 2229 weight 0.10000E+01 volume -0.12000E+00 ppm1 2.801 ppm2 7.553 ASSI { 2239} (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) (( segid " " and resid "66 " and name "HN ")) 5.500 3.800 0.000 peak 2239 weight 0.10000E+01 volume 0.33770E+00 ppm1 1.412 ppm2 7.509 OR { 2239} (( segid " " and resid "24 " and name "HD11") OR ( segid " " and resid "24 " and name "HD13") OR ( segid " " and resid "24 " and name "HD12")) (( segid " " and resid "66 " and name "HN ")) ASSI { 2240} (( segid " " and resid "60 " and name "HB1 ") OR ( segid " " and resid "60 " and name "HB3 ") OR ( segid " " and resid "60 " and name "HB2 ")) (( segid " " and resid "64 " and name "HN ")) 5.100 3.300 0.400 peak 2240 weight 0.10000E+01 volume 0.81620E+00 ppm1 1.442 ppm2 7.760 ASSI { 2243} (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) (( segid " " and resid "64 " and name "HN ")) 5.000 3.100 0.500 peak 2243 weight 0.10000E+01 volume -0.14300E+00 ppm1 0.701 ppm2 7.749 ASSI { 2244} (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) (( segid " " and resid "20 " and name "HD21")) 4.800 2.900 0.700 peak 2244 weight 0.10000E+01 volume 0.12312E+01 ppm1 0.699 ppm2 7.550 ASSI { 2247} (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) (( segid " " and resid "15 " and name "HN ")) 5.000 3.100 0.500 peak 2247 weight 0.10000E+01 volume -0.74400E+00 ppm1 0.732 ppm2 8.700 ASSI { 2252} (( segid " " and resid "16 " and name "HB2 ")) (( segid " " and resid "20 " and name "HD22")) 4.600 2.600 0.900 peak 2252 weight 0.10000E+01 volume 0.16317E+01 ppm1 3.002 ppm2 6.954 ASSI { 2259} (( segid " " and resid "16 " and name "HB1 ")) (( segid " " and resid "20 " and name "HD22")) 5.000 3.100 0.500 peak 2259 weight 0.10000E+01 volume -0.54000E+00 ppm1 2.789 ppm2 6.954 ASSI { 2268} (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) (( segid " " and resid "53 " and name "HA ")) 3.500 1.500 1.700 peak 2268 weight 0.10000E+01 volume 0.84659E+01 ppm1 0.731 ppm2 5.795 ASSI { 2269} (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "53 " and name "HA ")) 5.500 3.800 0.000 peak 2269 weight 0.10000E+01 volume 0.27280E+00 ppm1 1.287 ppm2 5.797 ASSI { 2276} (( segid " " and resid "28 " and name "HB1 ")) (( segid " " and resid "27 " and name "HA ")) 4.000 2.000 1.500 peak 2276 weight 0.10000E+01 volume 0.36175E+01 ppm1 1.969 ppm2 5.395 ASSI { 2277} (( segid " " and resid "28 " and name "HB2 ")) (( segid " " and resid "27 " and name "HA ")) 4.700 2.800 0.800 peak 2277 weight 0.10000E+01 volume 0.13190E+01 ppm1 2.025 ppm2 5.402 ASSI { 2280} (( segid " " and resid "53 " and name "HB1 ")) (( segid " " and resid "53 " and name "HA ")) 2.400 0.700 0.900 peak 2280 weight 0.10000E+01 volume 0.77109E+02 ppm1 3.282 ppm2 5.799 ASSI { 2286} (( segid " " and resid "58 " and name "HB2 ")) (( segid " " and resid "58 " and name "HA ")) 2.700 0.900 1.100 peak 2286 weight 0.10000E+01 volume 0.39322E+02 ppm1 4.045 ppm2 4.495 ASSI { 2289} (( segid " " and resid "15 " and name "HB1 ")) (( segid " " and resid "14 " and name "HA ")) 4.600 2.600 0.900 peak 2289 weight 0.10000E+01 volume 0.15547E+01 ppm1 3.842 ppm2 4.236 ASSI { 2290} (( segid " " and resid "31 " and name "HD2 ")) (( segid " " and resid "30 " and name "HA ")) 2.900 1.100 1.300 peak 2290 weight 0.10000E+01 volume 0.26192E+02 ppm1 3.815 ppm2 4.689 ASSI { 2294} (( segid " " and resid "44 " and name "HB ")) (( segid " " and resid "44 " and name "HA ")) 2.500 0.800 1.000 peak 2294 weight 0.10000E+01 volume 0.56440E+02 ppm1 3.958 ppm2 4.811 ASSI { 2301} (( segid " " and resid "45 " and name "HB2 ")) (( segid " " and resid "44 " and name "HA ")) 3.700 1.700 1.800 peak 2301 weight 0.10000E+01 volume 0.54080E+01 ppm1 2.165 ppm2 4.812 ASSI { 2302} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "64 " and name "HA ")) 3.200 1.300 1.500 peak 2302 weight 0.10000E+01 volume 0.14981E+02 ppm1 2.135 ppm2 4.222 ASSI { 2303} (( segid " " and resid "40 " and name "HB1 ")) (( segid " " and resid "32 " and name "HA ")) 3.000 1.100 1.300 peak 2303 weight 0.10000E+01 volume 0.20516E+02 ppm1 2.064 ppm2 4.268 ASSI { 2308} (( segid " " and resid "66 " and name "HB2 ")) (( segid " " and resid "63 " and name "HA ")) 2.500 0.800 1.000 peak 2308 weight 0.10000E+01 volume 0.62191E+02 ppm1 1.947 ppm2 4.494 ASSI { 2313} (( segid " " and resid "47 " and name "HG2 ")) (( segid " " and resid "47 " and name "HA ")) 2.600 0.800 1.000 peak 2313 weight 0.10000E+01 volume 0.52689E+02 ppm1 1.680 ppm2 4.227 ASSI { 2315} (( segid " " and resid "30 " and name "HG11")) (( segid " " and resid "30 " and name "HA ")) 2.600 0.800 1.000 peak 2315 weight 0.10000E+01 volume 0.43562E+02 ppm1 1.132 ppm2 4.684 ASSI { 2316} (( 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 "HA ")) 2.400 0.700 0.900 peak 2316 weight 0.10000E+01 volume 0.74422E+02 ppm1 1.081 ppm2 4.684 ASSI { 2317} (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) (( segid " " and resid "44 " and name "HA ")) 2.300 0.700 0.900 peak 2317 weight 0.10000E+01 volume 0.99049E+02 ppm1 1.157 ppm2 4.810 ASSI { 2322} (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) (( segid " " and resid "40 " and name "HA ")) 3.700 1.700 1.800 peak 2322 weight 0.10000E+01 volume 0.55400E+01 ppm1 0.828 ppm2 4.780 ASSI { 2325} (( segid " " and resid "18 " and name "HG2 ")) (( segid " " and resid "18 " and name "HD1 ")) 3.200 1.300 1.500 peak 2325 weight 0.10000E+01 volume 0.13859E+02 ppm1 1.899 ppm2 3.833 ASSI { 2327} (( segid " " and resid "17 " and name "HB1 ")) (( segid " " and resid "18 " and name "HD2 ")) 3.200 1.300 1.500 peak 2327 weight 0.10000E+01 volume 0.14067E+02 ppm1 1.873 ppm2 3.681 ASSI { 2342} (( segid " " and resid "36 " and name "HB1 ")) (( segid " " and resid "9 " and name "HB1 ")) 2.400 0.700 0.900 peak 2342 weight 0.10000E+01 volume 0.79724E+02 ppm1 2.871 ppm2 2.713 ASSI { 2348} (( segid " " and resid "28 " and name "HB1 ")) (( segid " " and resid "28 " and name "HG1 ")) 2.000 2.000 2.500 peak 2348 weight 0.10000E+01 volume 0.20150E+03 ppm1 1.964 ppm2 2.240 ASSI { 2352} (( segid " " and resid "18 " and name "HB2 ")) (( segid " " and resid "17 " and name "HG1 ")) 3.000 1.100 1.300 peak 2352 weight 0.10000E+01 volume 0.18443E+02 ppm1 2.055 ppm2 2.428 OR { 2352} (( segid " " and resid "18 " and name "HB2 ")) (( segid " " and resid "17 " and name "HG2 ")) ASSI { 2353} (( segid " " and resid "64 " and name "HG ")) (( segid " " and resid "68 " and name "HB ")) 3.700 1.700 1.800 peak 2353 weight 0.10000E+01 volume 0.53703E+01 ppm1 1.584 ppm2 2.246 ASSI { 2358} (( segid " " and resid "54 " and name "HB1 ")) (( segid " " and resid "14 " and name "HB ")) 2.000 2.000 2.500 peak 2358 weight 0.10000E+01 volume 0.21708E+03 ppm1 1.451 ppm2 1.710 ASSI { 2359} (( 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 "HG12")) 2.000 2.000 2.500 peak 2359 weight 0.10000E+01 volume 0.21378E+03 ppm1 1.077 ppm2 1.452 ASSI { 2368} (( segid " " and resid "34 " and name "HB1 ")) (( segid " " and resid "34 " and name "HB2 ")) 1.600 0.300 0.600 peak 2368 weight 0.10000E+01 volume 0.94498E+03 ppm1 1.782 ppm2 1.622 ASSI { 2372} (( segid " " and resid "47 " and name "HB1 ")) (( segid " " and resid "47 " and name "HG1 ")) 1.700 0.400 0.600 peak 2372 weight 0.10000E+01 volume 0.61405E+03 ppm1 1.916 ppm2 1.443 ASSI { 2373} (( segid " " and resid "40 " and name "HB2 ")) (( segid " " and resid "30 " and name "HG12")) 1.800 0.400 0.600 peak 2373 weight 0.10000E+01 volume 0.44783E+03 ppm1 1.893 ppm2 1.446 ASSI { 2374} (( segid " " and resid "50 " and name "HB1 ")) (( segid " " and resid "48 " and name "HG1 ")) 2.000 2.000 2.500 peak 2374 weight 0.10000E+01 volume 0.25127E+03 ppm1 1.902 ppm2 1.468 ASSI { 2378} (( segid " " and resid "35 " and name "HB1 ")) (( segid " " and resid "34 " and name "HG1 ")) 4.100 2.100 1.400 peak 2378 weight 0.10000E+01 volume 0.31810E+01 ppm1 2.723 ppm2 1.694 OR { 2378} (( segid " " and resid "35 " and name "HB1 ")) (( segid " " and resid "34 " and name "HG2 ")) ASSI { 2382} (( segid " " and resid "34 " and name "HA ")) (( segid " " and resid "34 " and name "HG1 ")) 2.700 0.900 1.100 peak 2382 weight 0.10000E+01 volume 0.36135E+02 ppm1 3.975 ppm2 1.701 OR { 2382} (( segid " " and resid "34 " and name "HA ")) (( segid " " and resid "34 " and name "HG2 ")) ASSI { 2385} (( segid " " and resid "64 " and name "HA ")) (( segid " " and resid "67 " and name "HB1 ") OR ( segid " " and resid "67 " and name "HB3 ") OR ( segid " " and resid "67 " and name "HB2 ")) 3.300 1.400 1.600 peak 2385 weight 0.10000E+01 volume 0.11201E+02 ppm1 4.225 ppm2 1.558 ASSI { 2390} (( segid " " and resid "69 " and name "HB2 ")) (( segid " " and resid "29 " and name "HD11") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD12")) 2.800 1.000 1.200 peak 2390 weight 0.10000E+01 volume 0.31223E+02 ppm1 3.995 ppm2 0.728 OR { 2390} (( segid " " and resid "69 " and name "HB1 ")) (( segid " " and resid "29 " and name "HD11") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD12")) ASSI { 2392} (( segid " " and resid "58 " and name "HB1 ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) 2.400 0.700 0.900 peak 2392 weight 0.10000E+01 volume 0.73679E+02 ppm1 4.150 ppm2 0.761 ASSI { 2398} (( segid " " and resid "37 " and name "HD2 ")) (( segid " " and resid "7 " and name "HG21") OR ( segid " " and resid "7 " and name "HG23") OR ( segid " " and resid "7 " and name "HG22")) 3.900 1.900 1.600 peak 2398 weight 0.10000E+01 volume 0.43466E+01 ppm1 3.658 ppm2 0.918 ASSI { 2399} (( segid " " and resid "37 " and name "HD1 ")) (( segid " " and resid "7 " and name "HG21") OR ( segid " " and resid "7 " and name "HG23") OR ( segid " " and resid "7 " and name "HG22")) 3.500 1.500 1.700 peak 2399 weight 0.10000E+01 volume 0.80522E+01 ppm1 3.706 ppm2 0.921 ASSI { 2410} (( segid " " and resid "64 " and name "HG ")) (( segid " " and resid "29 " and name "HG21") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG22")) 1.900 1.900 2.600 peak 2410 weight 0.10000E+01 volume 0.36439E+03 ppm1 1.580 ppm2 0.873 ASSI { 2414} (( segid " " and resid "27 " and name "HB1 ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) 2.100 0.600 0.800 peak 2414 weight 0.10000E+01 volume 0.15899E+03 ppm1 1.231 ppm2 0.765 OR { 2414} (( segid " " and resid "27 " and name "HB1 ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) ASSI { 2417} (( segid " " and resid "39 " and name "HG11") OR ( segid " " and resid "39 " and name "HG13") OR ( segid " " and resid "39 " and name "HG12")) (( segid " " and resid "65 " and name "HD11") OR ( segid " " and resid "65 " and name "HD13") OR ( segid " " and resid "65 " and name "HD12")) 1.900 0.500 0.700 peak 2417 weight 0.10000E+01 volume 0.32148E+03 ppm1 1.052 ppm2 0.761 OR { 2417} (( segid " " and resid "39 " and name "HG11") OR ( segid " " and resid "39 " and name "HG13") OR ( segid " " and resid "39 " and name "HG12")) (( segid " " and resid "65 " and name "HD21") OR ( segid " " and resid "65 " and name "HD23") OR ( segid " " and resid "65 " and name "HD22")) OR { 2417} (( segid " " and resid "39 " and name "HG21") OR ( segid " " and resid "39 " and name "HG23") OR ( segid " " and resid "39 " and name "HG22")) (( segid " " and resid "65 " and name "HD21") OR ( segid " " and resid "65 " and name "HD23") OR ( segid " " and resid "65 " and name "HD22")) OR { 2417} (( segid " " and resid "39 " and name "HG21") OR ( segid " " and resid "39 " and name "HG23") OR ( segid " " and resid "39 " and name "HG22")) (( segid " " and resid "65 " and name "HD11") OR ( segid " " and resid "65 " and name "HD13") OR ( segid " " and resid "65 " and name "HD12")) ASSI { 2419} (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) (( segid " " and resid "57 " and name "HG2 ")) 2.700 0.900 1.100 peak 2419 weight 0.10000E+01 volume 0.41647E+02 ppm1 0.763 ppm2 2.668 ASSI { 1} (( segid " " and resid "27 " and name "HA ")) (( segid " " and resid "26 " and name "HA ")) 3.700 1.700 1.800 peak 1 weight 0.10000E+01 volume 0.97980E+01 ppm1 5.411 ppm2 5.136 ASSI { 5} (( segid " " and resid "27 " and name "HA ")) (( segid " " and resid "28 " and name "HA ")) 3.200 1.300 1.500 peak 5 weight 0.10000E+01 volume 0.22068E+02 ppm1 5.407 ppm2 4.449 ASSI { 7} (( segid " " and resid "36 " and name "HA ")) (( segid " " and resid "7 " and name "HA ")) 4.000 2.000 1.500 peak 7 weight 0.10000E+01 volume 0.56658E+01 ppm1 5.147 ppm2 4.268 ASSI { 9} (( segid " " and resid "27 " and name "HA ")) (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) 2.700 0.900 1.100 peak 9 weight 0.10000E+01 volume 0.57054E+02 ppm1 5.410 ppm2 3.141 ASSI { 10} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) 1.900 0.500 0.700 peak 10 weight 0.10000E+01 volume 0.55691E+03 ppm1 5.139 ppm2 3.141 ASSI { 14} (( segid " " and resid "54 " and name "HA ")) (( segid " " and resid "15 " and name "HB1 ")) 3.200 1.300 1.500 peak 14 weight 0.10000E+01 volume 0.22005E+02 ppm1 5.023 ppm2 3.843 ASSI { 15} (( segid " " and resid "16 " and name "HA ")) (( segid " " and resid "58 " and name "HB2 ")) 3.400 1.400 1.600 peak 15 weight 0.10000E+01 volume 0.15777E+02 ppm1 4.973 ppm2 4.038 ASSI { 16} (( segid " " and resid "54 " and name "HA ")) (( segid " " and resid "15 " and name "HB2 ")) 4.200 2.200 1.300 peak 16 weight 0.10000E+01 volume 0.46572E+01 ppm1 5.023 ppm2 3.990 ASSI { 22} (( segid " " and resid "16 " and name "HA ")) (( segid " " and resid "16 " and name "HB2 ")) 2.400 0.700 0.900 peak 22 weight 0.10000E+01 volume 0.11362E+03 ppm1 4.969 ppm2 3.017 ASSI { 24} (( segid " " and resid "27 " and name "HA ")) (( segid " " and resid "27 " and name "HG ")) 2.500 0.800 1.000 peak 24 weight 0.10000E+01 volume 0.10243E+03 ppm1 5.410 ppm2 1.305 ASSI { 36} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "25 " and name "HB2 ")) 3.000 1.100 1.300 peak 36 weight 0.10000E+01 volume 0.31173E+02 ppm1 5.140 ppm2 1.690 OR { 36} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "25 " and name "HB1 ")) ASSI { 40} (( segid " " and resid "43 " and name "HA ")) (( segid " " and resid "54 " and name "HG ")) 2.600 2.600 1.900 peak 40 weight 0.10000E+01 volume 0.79717E+02 ppm1 5.025 ppm2 1.657 ASSI { 44} (( segid " " and resid "27 " and name "HA ")) (( segid " " and resid "29 " and name "HG21") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG22")) 3.100 1.200 1.400 peak 44 weight 0.10000E+01 volume 0.28557E+02 ppm1 5.409 ppm2 0.848 ASSI { 47} (( segid " " and resid "36 " and name "HA ")) (( segid " " and resid "7 " and name "HG11") OR ( segid " " and resid "7 " and name "HG13") OR ( segid " " and resid "7 " and name "HG12")) 3.200 1.300 1.500 peak 47 weight 0.10000E+01 volume 0.24254E+02 ppm1 5.148 ppm2 0.958 ASSI { 50} (( segid " " and resid "43 " and name "HA ")) (( segid " " and resid "42 " and name "HG21") OR ( segid " " and resid "42 " and name "HG23") OR ( segid " " and resid "42 " and name "HG22")) 2.000 2.000 2.500 peak 50 weight 0.10000E+01 volume 0.41101E+03 ppm1 5.024 ppm2 0.739 ASSI { 53} (( segid " " and resid "16 " and name "HA ")) (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) 3.500 1.500 1.700 peak 53 weight 0.10000E+01 volume 0.13419E+02 ppm1 4.971 ppm2 0.700 ASSI { 59} (( segid " " and resid "16 " and name "HA ")) (( segid " " and resid "61 " and name "HG11")) 3.900 1.900 1.600 peak 59 weight 0.10000E+01 volume 0.72954E+01 ppm1 4.968 ppm2 1.640 ASSI { 60} (( segid " " and resid "16 " and name "HA ")) (( segid " " and resid "17 " and name "HG2 ")) 3.800 1.800 1.700 peak 60 weight 0.10000E+01 volume 0.83531E+01 ppm1 4.970 ppm2 2.426 OR { 60} (( segid " " and resid "16 " and name "HA ")) (( segid " " and resid "17 " and name "HG1 ")) ASSI { 61} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "27 " and name "HB1 ")) 4.400 2.400 1.100 peak 61 weight 0.10000E+01 volume 0.31638E+01 ppm1 5.139 ppm2 1.218 ASSI { 62} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) 4.500 2.500 1.000 peak 62 weight 0.10000E+01 volume 0.27133E+01 ppm1 5.139 ppm2 0.765 OR { 62} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) ASSI { 71} (( segid " " and resid "26 " and name "HA ")) (( segid " " and resid "44 " and name "HB ")) 4.000 2.000 1.500 peak 71 weight 0.10000E+01 volume 0.57387E+01 ppm1 5.138 ppm2 3.951 ASSI { 76} (( segid " " and resid "45 " and name "HA ")) (( segid " " and resid "24 " and name "HA ")) 2.200 0.600 0.800 peak 76 weight 0.10000E+01 volume 0.23895E+03 ppm1 4.916 ppm2 4.433 ASSI { 79} (( segid " " and resid "20 " and name "HA ")) (( segid " " and resid "19 " and name "HA ")) 2.900 2.900 1.600 peak 79 weight 0.10000E+01 volume 0.37943E+02 ppm1 4.920 ppm2 4.263 ASSI { 83} (( segid " " and resid "37 " and name "HA ")) (( segid " " and resid "37 " and name "HD2 ")) 3.600 1.600 1.800 peak 83 weight 0.10000E+01 volume 0.10679E+02 ppm1 4.865 ppm2 3.664 ASSI { 85} (( segid " " and resid "17 " and name "HA ")) (( segid " " and resid "18 " and name "HD1 ")) 2.000 0.500 0.700 peak 85 weight 0.10000E+01 volume 0.38778E+03 ppm1 4.589 ppm2 3.833 ASSI { 97} (( segid " " and resid "20 " and name "HA ")) (( segid " " and resid "21 " and name "HG1 ")) 2.800 1.000 1.200 peak 97 weight 0.10000E+01 volume 0.53555E+02 ppm1 4.928 ppm2 1.941 OR { 97} (( segid " " and resid "20 " and name "HA ")) (( segid " " and resid "21 " and name "HG2 ")) ASSI { 101} (( segid " " and resid "45 " and name "HA ")) (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) 4.200 2.200 1.300 peak 101 weight 0.10000E+01 volume 0.46334E+01 ppm1 4.925 ppm2 1.299 ASSI { 103} (( segid " " and resid "37 " and name "HA ")) (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) 2.700 0.900 1.100 peak 103 weight 0.10000E+01 volume 0.61385E+02 ppm1 4.864 ppm2 1.169 ASSI { 106} (( segid " " and resid "41 " and name "HA ")) (( segid " " and resid "40 " and name "HB2 ")) 2.800 2.800 1.700 peak 106 weight 0.10000E+01 volume 0.54847E+02 ppm1 4.847 ppm2 1.910 ASSI { 116} (( segid " " and resid "38 " and name "HA ")) (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) 3.000 1.100 1.300 peak 116 weight 0.10000E+01 volume 0.29789E+02 ppm1 4.746 ppm2 1.169 ASSI { 120} (( segid " " and resid "17 " and name "HA ")) (( segid " " and resid "17 " and name "HB1 ")) 2.600 0.800 1.000 peak 120 weight 0.10000E+01 volume 0.82307E+02 ppm1 4.589 ppm2 1.872 ASSI { 121} (( segid " " and resid "52 " and name "HA ")) (( segid " " and resid "52 " and name "HB2 ")) 2.400 0.700 0.900 peak 121 weight 0.10000E+01 volume 0.11012E+03 ppm1 4.643 ppm2 1.740 ASSI { 122} (( segid " " and resid "52 " and name "HA ")) (( segid " " and resid "52 " and name "HB1 ")) 2.600 0.800 1.000 peak 122 weight 0.10000E+01 volume 0.72384E+02 ppm1 4.636 ppm2 1.609 ASSI { 123} (( segid " " and resid "42 " and name "HA ")) (( segid " " and resid "54 " and name "HG ")) 4.100 2.100 1.400 peak 123 weight 0.10000E+01 volume 0.48336E+01 ppm1 4.582 ppm2 1.649 ASSI { 128} (( segid " " and resid "52 " and name "HA ")) (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) 3.400 1.400 1.600 peak 128 weight 0.10000E+01 volume 0.16621E+02 ppm1 4.643 ppm2 1.298 ASSI { 134} (( segid " " and resid "41 " and name "HA ")) (( segid " " and resid "29 " and name "HG21") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG22")) 4.500 2.500 1.000 peak 134 weight 0.10000E+01 volume 0.28551E+01 ppm1 4.860 ppm2 0.869 ASSI { 135} (( segid " " and resid "41 " and name "HA ")) (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) 3.800 1.800 1.700 peak 135 weight 0.10000E+01 volume 0.75803E+01 ppm1 4.861 ppm2 0.827 OR { 135} (( segid " " and resid "41 " and name "HA ")) (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) ASSI { 137} (( segid " " and resid "41 " and name "HA ")) (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) 2.400 0.700 0.900 peak 137 weight 0.10000E+01 volume 0.12371E+03 ppm1 4.860 ppm2 0.725 ASSI { 141} (( segid " " and resid "38 " and name "HA ")) (( segid " " and resid "39 " and name "HG11") OR ( segid " " and resid "39 " and name "HG13") OR ( segid " " and resid "39 " and name "HG12")) 3.700 1.700 1.800 peak 141 weight 0.10000E+01 volume 0.89496E+01 ppm1 4.746 ppm2 1.057 OR { 141} (( segid " " and resid "38 " and name "HA ")) (( segid " " and resid "39 " and name "HG21") OR ( segid " " and resid "39 " and name "HG23") OR ( segid " " and resid "39 " and name "HG22")) ASSI { 152} (( segid " " and resid "13 " and name "HA ")) (( segid " " and resid "12 " and name "HA ")) 3.700 1.700 1.800 peak 152 weight 0.10000E+01 volume 0.90871E+01 ppm1 4.619 ppm2 4.108 ASSI { 164} (( segid " " and resid "23 " and name "HA ")) (( segid " " and resid "47 " and name "HA ")) 3.600 1.600 1.800 peak 164 weight 0.10000E+01 volume 0.10984E+02 ppm1 4.542 ppm2 4.229 ASSI { 172} (( segid " " and resid "18 " and name "HA ")) (( segid " " and resid "18 " and name "HD2 ")) 3.400 1.400 1.600 peak 172 weight 0.10000E+01 volume 0.16566E+02 ppm1 4.316 ppm2 3.688 ASSI { 181} (( segid " " and resid "28 " and name "HA ")) (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) 2.900 1.100 1.300 peak 181 weight 0.10000E+01 volume 0.36851E+02 ppm1 4.454 ppm2 3.141 ASSI { 190} (( segid " " and resid "14 " and name "HA ")) (( segid " " and resid "11 " and name "HB2 ")) 3.200 1.300 1.500 peak 190 weight 0.10000E+01 volume 0.23876E+02 ppm1 4.234 ppm2 2.753 ASSI { 212} (( segid " " and resid "28 " and name "HA ")) (( segid " " and resid "28 " and name "HB1 ")) 2.400 0.700 0.900 peak 212 weight 0.10000E+01 volume 0.12111E+03 ppm1 4.454 ppm2 1.976 ASSI { 215} (( segid " " and resid "24 " and name "HA ")) (( segid " " and resid "27 " and name "HB2 ")) 3.100 1.200 1.400 peak 215 weight 0.10000E+01 volume 0.26868E+02 ppm1 4.434 ppm2 1.893 ASSI { 217} (( segid " " and resid "23 " and name "HA ")) (( segid " " and resid "47 " and name "HB1 ")) 3.900 1.900 1.600 peak 217 weight 0.10000E+01 volume 0.72331E+01 ppm1 4.541 ppm2 1.941 ASSI { 219} (( segid " " and resid "58 " and name "HA ")) (( segid " " and resid "57 " and name "HB2 ")) 3.600 1.600 1.800 peak 219 weight 0.10000E+01 volume 0.10099E+02 ppm1 4.497 ppm2 1.832 ASSI { 221} (( segid " " and resid "23 " and name "HA ")) (( segid " " and resid "47 " and name "HG2 ")) 2.400 0.700 0.900 peak 221 weight 0.10000E+01 volume 0.11818E+03 ppm1 4.539 ppm2 1.669 ASSI { 222} (( segid " " and resid "63 " and name "HA ")) (( segid " " and resid "66 " and name "HB1 ")) 3.400 1.400 1.600 peak 222 weight 0.10000E+01 volume 0.16174E+02 ppm1 4.503 ppm2 1.625 ASSI { 224} (( segid " " and resid "58 " and name "HA ")) (( segid " " and resid "61 " and name "HG12")) 3.700 1.700 1.800 peak 224 weight 0.10000E+01 volume 0.93480E+01 ppm1 4.502 ppm2 1.497 ASSI { 235} (( segid " " and resid "28 " and name "HA ")) (( segid " " and resid "42 " and name "HB ")) 3.800 1.800 1.700 peak 235 weight 0.10000E+01 volume 0.73836E+01 ppm1 4.454 ppm2 1.830 ASSI { 243} (( segid " " and resid "67 " and name "HA ")) (( segid " " and resid "68 " and name "HB ")) 5.000 3.100 0.500 peak 243 weight 0.10000E+01 volume -0.77530E+02 ppm1 4.261 ppm2 2.252 ASSI { 245} (( segid " " and resid "18 " and name "HA ")) (( segid " " and resid "18 " and name "HG1 ")) 3.000 1.100 1.300 peak 245 weight 0.10000E+01 volume 0.29784E+02 ppm1 4.316 ppm2 1.990 ASSI { 247} (( segid " " and resid "47 " and name "HA ")) (( segid " " and resid "47 " and name "HB1 ")) 2.500 0.800 1.000 peak 247 weight 0.10000E+01 volume 0.97558E+02 ppm1 4.237 ppm2 1.933 ASSI { 248} (( segid " " and resid "39 " and name "HA ")) (( segid " " and resid "56 " and name "HG1 ")) 2.400 2.400 2.100 peak 248 weight 0.10000E+01 volume 0.12148E+03 ppm1 4.233 ppm2 2.081 ASSI { 270} (( segid " " and resid "58 " and name "HA ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) 3.200 1.300 1.500 peak 270 weight 0.10000E+01 volume 0.21228E+02 ppm1 4.503 ppm2 0.767 ASSI { 277} (( segid " " and resid "69 " and name "HA ")) (( segid " " and resid "68 " and name "HG11") OR ( segid " " and resid "68 " and name "HG13") OR ( segid " " and resid "68 " and name "HG12")) 3.300 1.400 1.600 peak 277 weight 0.10000E+01 volume 0.20171E+02 ppm1 4.351 ppm2 0.975 ASSI { 279} (( segid " " and resid "57 " and name "HA ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) 2.400 0.700 0.900 peak 279 weight 0.10000E+01 volume 0.12065E+03 ppm1 4.267 ppm2 0.767 ASSI { 291} (( segid " " and resid "13 " and name "HA ")) (( segid " " and resid "12 " and name "HG21") OR ( segid " " and resid "12 " and name "HG23") OR ( segid " " and resid "12 " and name "HG22")) 3.100 1.200 1.400 peak 291 weight 0.10000E+01 volume 0.26307E+02 ppm1 4.619 ppm2 0.945 ASSI { 300} (( segid " " and resid "58 " and name "HB1 ")) (( segid " " and resid "16 " and name "HA ")) 3.500 1.500 1.700 peak 300 weight 0.10000E+01 volume 0.12797E+02 ppm1 4.136 ppm2 4.969 ASSI { 308} (( segid " " and resid "56 " and name "HD1 ")) (( segid " " and resid "55 " and name "HA ")) 2.600 0.800 1.000 peak 308 weight 0.10000E+01 volume 0.75299E+02 ppm1 3.971 ppm2 4.675 OR { 308} (( segid " " and resid "56 " and name "HD2 ")) (( segid " " and resid "55 " and name "HA ")) ASSI { 326} (( segid " " and resid "61 " and name "HA ")) (( segid " " and resid "21 " and name "HD2 ")) 1.700 0.400 0.600 peak 326 weight 0.10000E+01 volume 0.95964E+03 ppm1 3.898 ppm2 4.012 ASSI { 328} (( segid " " and resid "69 " and name "HB1 ")) (( segid " " and resid "66 " and name "HA ")) 2.700 0.900 1.100 peak 328 weight 0.10000E+01 volume 0.56291E+02 ppm1 4.000 ppm2 4.118 OR { 328} (( segid " " and resid "69 " and name "HB2 ")) (( segid " " and resid "66 " and name "HA ")) ASSI { 329} (( segid " " and resid "31 " and name "HD1 ")) (( segid " " and resid "32 " and name "HA ")) 3.300 1.400 1.600 peak 329 weight 0.10000E+01 volume 0.19164E+02 ppm1 4.051 ppm2 4.263 ASSI { 344} (( segid " " and resid "58 " and name "HB1 ")) (( segid " " and resid "16 " and name "HB2 ")) 3.600 1.600 1.800 peak 344 weight 0.10000E+01 volume 0.11253E+02 ppm1 4.132 ppm2 3.014 ASSI { 357} (( segid " " and resid "65 " and name "HA ")) (( segid " " and resid "68 " and name "HB ")) 2.700 0.900 1.100 peak 357 weight 0.10000E+01 volume 0.60104E+02 ppm1 3.907 ppm2 2.252 ASSI { 360} (( segid " " and resid "21 " and name "HD1 ")) (( segid " " and resid "20 " and name "HB1 ")) 4.000 2.000 1.500 peak 360 weight 0.10000E+01 volume 0.60538E+01 ppm1 3.891 ppm2 2.908 ASSI { 379} (( segid " " and resid "66 " and name "HA ")) (( segid " " and resid "66 " and name "HB1 ")) 2.900 1.100 1.300 peak 379 weight 0.10000E+01 volume 0.37929E+02 ppm1 4.121 ppm2 1.624 ASSI { 380} (( segid " " and resid "58 " and name "HB1 ")) (( segid " " and resid "61 " and name "HG12")) 3.000 1.100 1.300 peak 380 weight 0.10000E+01 volume 0.33279E+02 ppm1 4.130 ppm2 1.498 ASSI { 390} (( segid " " and resid "48 " and name "HA ")) (( segid " " and resid "48 " and name "HB1 ")) 2.100 0.600 0.800 peak 390 weight 0.10000E+01 volume 0.30200E+03 ppm1 4.047 ppm2 1.684 ASSI { 396} (( segid " " and resid "56 " and name "HD1 ")) (( segid " " and resid "56 " and name "HG1 ")) 2.300 0.700 0.900 peak 396 weight 0.10000E+01 volume 0.15264E+03 ppm1 3.973 ppm2 2.085 OR { 396} (( segid " " and resid "56 " and name "HD2 ")) (( segid " " and resid "56 " and name "HG1 ")) ASSI { 406} (( segid " " and resid "56 " and name "HD2 ")) (( segid " " and resid "54 " and name "HB2 ")) 3.000 1.100 1.300 peak 406 weight 0.10000E+01 volume 0.32619E+02 ppm1 3.951 ppm2 1.445 OR { 406} (( segid " " and resid "56 " and name "HD1 ")) (( segid " " and resid "54 " and name "HB2 ")) ASSI { 421} (( segid " " and resid "15 " and name "HB1 ")) (( segid " " and resid "54 " and name "HB1 ")) 3.200 1.300 1.500 peak 421 weight 0.10000E+01 volume 0.20788E+02 ppm1 3.830 ppm2 1.443 ASSI { 423} (( segid " " and resid "31 " and name "HD1 ")) (( segid " " and resid "30 " and name "HG21") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG22")) 2.700 0.900 1.100 peak 423 weight 0.10000E+01 volume 0.55217E+02 ppm1 4.049 ppm2 1.084 ASSI { 425} (( segid " " and resid "68 " and name "HA ")) (( segid " " and resid "68 " and name "HG11") OR ( segid " " and resid "68 " and name "HG13") OR ( segid " " and resid "68 " and name "HG12")) 2.500 0.800 1.000 peak 425 weight 0.10000E+01 volume 0.10470E+03 ppm1 4.130 ppm2 0.980 ASSI { 452} (( segid " " and resid "69 " and name "HB2 ")) (( segid " " and resid "68 " and name "HG21") OR ( segid " " and resid "68 " and name "HG23") OR ( segid " " and resid "68 " and name "HG22")) 4.300 2.300 1.200 peak 452 weight 0.10000E+01 volume 0.39930E+01 ppm1 4.005 ppm2 0.994 OR { 452} (( segid " " and resid "69 " and name "HB1 ")) (( segid " " and resid "68 " and name "HG21") OR ( segid " " and resid "68 " and name "HG23") OR ( segid " " and resid "68 " and name "HG22")) ASSI { 455} (( segid " " and resid "15 " and name "HB1 ")) (( segid " " and resid "52 " and name "HB2 ")) 4.400 2.400 1.100 peak 455 weight 0.10000E+01 volume 0.32498E+01 ppm1 3.843 ppm2 1.736 ASSI { 456} (( segid " " and resid "58 " and name "HB1 ")) (( segid " " and resid "61 " and name "HG11")) 2.800 1.000 1.200 peak 456 weight 0.10000E+01 volume 0.54871E+02 ppm1 4.133 ppm2 1.635 ASSI { 460} (( segid " " and resid "56 " and name "HA ")) (( segid " " and resid "16 " and name "HB2 ")) 4.500 2.500 1.000 peak 460 weight 0.10000E+01 volume 0.28867E+01 ppm1 4.182 ppm2 2.998 ASSI { 461} (( segid " " and resid "58 " and name "HB2 ")) (( segid " " and resid "16 " and name "HB2 ")) 4.500 2.500 1.000 peak 461 weight 0.10000E+01 volume 0.27555E+01 ppm1 4.049 ppm2 3.003 ASSI { 465} (( segid " " and resid "61 " and name "HA ")) (( segid " " and resid "20 " and name "HB1 ")) 3.900 1.900 1.600 peak 465 weight 0.10000E+01 volume 0.66459E+01 ppm1 3.904 ppm2 2.914 ASSI { 470} (( segid " " and resid "37 " and name "HD1 ")) (( segid " " and resid "37 " and name "HA ")) 3.300 1.400 1.600 peak 470 weight 0.10000E+01 volume 0.19001E+02 ppm1 3.712 ppm2 4.866 ASSI { 472} (( segid " " and resid "18 " and name "HD2 ")) (( segid " " and resid "17 " and name "HA ")) 2.200 0.600 0.800 peak 472 weight 0.10000E+01 volume 0.23095E+03 ppm1 3.690 ppm2 4.589 ASSI { 474} (( segid " " and resid "13 " and name "HB2 ")) (( segid " " and resid "14 " and name "HA ")) 5.100 3.300 0.400 peak 474 weight 0.10000E+01 volume 0.13332E+01 ppm1 3.794 ppm2 4.238 OR { 474} (( segid " " and resid "13 " and name "HB1 ")) (( segid " " and resid "14 " and name "HA ")) ASSI { 488} (( segid " " and resid "37 " and name "HD1 ")) (( segid " " and resid "7 " and name "HB ")) 2.400 0.700 0.900 peak 488 weight 0.10000E+01 volume 0.13978E+03 ppm1 3.708 ppm2 2.067 ASSI { 490} (( segid " " and resid "37 " and name "HD2 ")) (( segid " " and resid "7 " and name "HB ")) 3.300 1.400 1.600 peak 490 weight 0.10000E+01 volume 0.16970E+02 ppm1 3.663 ppm2 2.069 ASSI { 493} (( segid " " and resid "15 " and name "HB1 ")) (( segid " " and resid "21 " and name "HG1 ")) 4.600 2.600 0.900 peak 493 weight 0.10000E+01 volume 0.25797E+01 ppm1 3.830 ppm2 1.921 OR { 493} (( segid " " and resid "15 " and name "HB1 ")) (( segid " " and resid "21 " and name "HG2 ")) ASSI { 498} (( segid " " and resid "37 " and name "HD1 ")) (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) 4.800 2.900 0.700 peak 498 weight 0.10000E+01 volume 0.19129E+01 ppm1 3.710 ppm2 1.174 ASSI { 565} (( segid " " and resid "20 " and name "HB2 ")) (( segid " " and resid "61 " and name "HA ")) 3.500 1.500 1.700 peak 565 weight 0.10000E+01 volume 0.12868E+02 ppm1 2.805 ppm2 3.896 ASSI { 610} (( segid " " and resid "20 " and name "HB1 ")) (( segid " " and resid "21 " and name "HB1 ")) 3.600 1.600 1.800 peak 610 weight 0.10000E+01 volume 0.11872E+02 ppm1 2.934 ppm2 2.141 OR { 610} (( segid " " and resid "20 " and name "HB1 ")) (( segid " " and resid "21 " and name "HB2 ")) ASSI { 616} (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) (( segid " " and resid "29 " and name "HG21") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG22")) 3.700 1.700 1.800 peak 616 weight 0.10000E+01 volume 0.94803E+01 ppm1 3.141 ppm2 0.848 ASSI { 617} (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) 2.900 1.100 1.300 peak 617 weight 0.10000E+01 volume 0.38242E+02 ppm1 3.142 ppm2 0.773 OR { 617} (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) ASSI { 659} (( segid " " and resid "40 " and name "HG2 ")) (( segid " " and resid "40 " and name "HA ")) 2.400 0.700 0.900 peak 659 weight 0.10000E+01 volume 0.11047E+03 ppm1 2.546 ppm2 4.778 OR { 659} (( segid " " and resid "40 " and name "HG1 ")) (( segid " " and resid "40 " and name "HA ")) ASSI { 675} (( segid " " and resid "17 " and name "HG1 ")) (( segid " " and resid "18 " and name "HD2 ")) 3.100 1.200 1.400 peak 675 weight 0.10000E+01 volume 0.25738E+02 ppm1 2.426 ppm2 3.688 ASSI { 681} (( segid " " and resid "40 " and name "HG2 ")) (( segid " " and resid "36 " and name "HB2 ")) 4.100 2.100 1.400 peak 681 weight 0.10000E+01 volume 0.52064E+01 ppm1 2.551 ppm2 3.309 OR { 681} (( segid " " and resid "40 " and name "HG1 ")) (( segid " " and resid "36 " and name "HB2 ")) ASSI { 708} (( segid " " and resid "45 " and name "HG1 ")) (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) 4.500 2.500 1.000 peak 708 weight 0.10000E+01 volume 0.28130E+01 ppm1 2.511 ppm2 1.296 OR { 708} (( segid " " and resid "45 " and name "HG2 ")) (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) ASSI { 716} (( segid " " and resid "17 " and name "HG2 ")) (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) 2.100 0.600 0.800 peak 716 weight 0.10000E+01 volume 0.28626E+03 ppm1 2.427 ppm2 0.762 OR { 716} (( segid " " and resid "17 " and name "HG1 ")) (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) ASSI { 726} (( segid " " and resid "45 " and name "HB2 ")) (( segid " " and resid "45 " and name "HA ")) 2.400 0.700 0.900 peak 726 weight 0.10000E+01 volume 0.13456E+03 ppm1 2.174 ppm2 4.921 ASSI { 731} (( segid " " and resid "17 " and name "HB2 ")) (( segid " " and resid "17 " and name "HA ")) 2.600 0.800 1.000 peak 731 weight 0.10000E+01 volume 0.70208E+02 ppm1 2.080 ppm2 4.588 ASSI { 738} (( segid " " and resid "40 " and name "HB2 ")) (( segid " " and resid "40 " and name "HA ")) 2.300 0.700 0.900 peak 738 weight 0.10000E+01 volume 0.18083E+03 ppm1 1.906 ppm2 4.778 ASSI { 756} (( segid " " and resid "64 " and name "HB2 ")) (( segid " " and resid "56 " and name "HA ")) 2.800 2.800 1.700 peak 756 weight 0.10000E+01 volume 0.51510E+02 ppm1 2.062 ppm2 4.171 OR { 756} (( segid " " and resid "64 " and name "HB1 ")) (( segid " " and resid "56 " and name "HA ")) ASSI { 779} (( segid " " and resid "68 " and name "HB ")) (( segid " " and resid "69 " and name "HB1 ")) 3.900 1.900 1.600 peak 779 weight 0.10000E+01 volume 0.72246E+01 ppm1 2.252 ppm2 4.014 OR { 779} (( segid " " and resid "68 " and name "HB ")) (( segid " " and resid "69 " and name "HB2 ")) ASSI { 784} (( segid " " and resid "18 " and name "HB1 ")) (( segid " " and resid "18 " and name "HD1 ")) 2.900 1.100 1.300 peak 784 weight 0.10000E+01 volume 0.37619E+02 ppm1 2.187 ppm2 3.832 ASSI { 785} (( segid " " and resid "30 " and name "HB ")) (( segid " " and resid "31 " and name "HD1 ")) 2.200 0.600 0.800 peak 785 weight 0.10000E+01 volume 0.20524E+03 ppm1 2.142 ppm2 4.027 ASSI { 839} (( segid " " and resid "17 " and name "HB1 ")) (( segid " " and resid "17 " and name "HG2 ")) 2.200 0.600 0.800 peak 839 weight 0.10000E+01 volume 0.20001E+03 ppm1 1.877 ppm2 2.424 OR { 839} (( segid " " and resid "17 " and name "HB1 ")) (( segid " " and resid "17 " and name "HG1 ")) ASSI { 848} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "24 " and name "HB2 ")) 2.000 0.500 0.700 peak 848 weight 0.10000E+01 volume 0.39340E+03 ppm1 2.144 ppm2 1.688 OR { 848} (( segid " " and resid "21 " and name "HB1 ")) (( segid " " and resid "24 " and name "HB2 ")) ASSI { 850} (( segid " " and resid "28 " and name "HG2 ")) (( segid " " and resid "30 " and name "HG12")) 2.100 2.100 2.400 peak 850 weight 0.10000E+01 volume 0.25923E+03 ppm1 2.149 ppm2 1.462 ASSI { 851} (( segid " " and resid "21 " and name "HB1 ")) (( segid " " and resid "67 " and name "HB1 ") OR ( segid " " and resid "67 " and name "HB3 ") OR ( segid " " and resid "67 " and name "HB2 ")) 3.400 1.400 1.600 peak 851 weight 0.10000E+01 volume 0.14732E+02 ppm1 2.142 ppm2 1.565 OR { 851} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "67 " and name "HB1 ") OR ( segid " " and resid "67 " and name "HB3 ") OR ( segid " " and resid "67 " and name "HB2 ")) ASSI { 852} (( segid " " and resid "68 " and name "HB ")) (( segid " " and resid "67 " and name "HB1 ") OR ( segid " " and resid "67 " and name "HB3 ") OR ( segid " " and resid "67 " and name "HB2 ")) 3.000 1.100 1.300 peak 852 weight 0.10000E+01 volume 0.34971E+02 ppm1 2.250 ppm2 1.567 ASSI { 853} (( segid " " and resid "45 " and name "HB2 ")) (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) 2.300 2.300 2.200 peak 853 weight 0.10000E+01 volume 0.17049E+03 ppm1 2.148 ppm2 1.153 ASSI { 855} (( segid " " and resid "40 " and name "HB1 ")) (( segid " " and resid "30 " and name "HG12")) 2.700 0.900 1.100 peak 855 weight 0.10000E+01 volume 0.57464E+02 ppm1 2.071 ppm2 1.464 ASSI { 857} (( segid " " and resid "56 " and name "HG2 ")) (( segid " " and resid "64 " and name "HG ")) 2.500 2.500 2.000 peak 857 weight 0.10000E+01 volume 0.10482E+03 ppm1 1.999 ppm2 1.578 ASSI { 873} (( segid " " and resid "68 " and name "HB ")) (( segid " " and resid "29 " and name "HG21") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG22")) 3.500 1.500 1.700 peak 873 weight 0.10000E+01 volume 0.13704E+02 ppm1 2.252 ppm2 0.847 ASSI { 878} (( segid " " and resid "28 " and name "HG2 ")) (( segid " " and resid "30 " and name "HG21") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG22")) 2.100 2.100 2.400 peak 878 weight 0.10000E+01 volume 0.27357E+03 ppm1 2.152 ppm2 1.084 ASSI { 879} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) 2.200 0.600 0.800 peak 879 weight 0.10000E+01 volume 0.19907E+03 ppm1 2.149 ppm2 0.837 ASSI { 880} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) 2.300 0.700 0.900 peak 880 weight 0.10000E+01 volume 0.14423E+03 ppm1 2.137 ppm2 0.769 OR { 880} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) OR { 880} (( segid " " and resid "21 " and name "HB1 ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) ASSI { 883} (( segid " " and resid "56 " and name "HG1 ")) (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) 2.200 0.600 0.800 peak 883 weight 0.10000E+01 volume 0.23249E+03 ppm1 2.080 ppm2 0.842 ASSI { 886} (( segid " " and resid "40 " and name "HB1 ")) (( segid " " and resid "30 " and name "HG21") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG22")) 2.800 1.000 1.200 peak 886 weight 0.10000E+01 volume 0.54724E+02 ppm1 2.069 ppm2 1.084 ASSI { 889} (( segid " " and resid "56 " and name "HG2 ")) (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) 3.000 1.100 1.300 peak 889 weight 0.10000E+01 volume 0.31562E+02 ppm1 2.022 ppm2 0.835 ASSI { 896} (( segid " " and resid "21 " and name "HG1 ")) (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) 2.300 0.700 0.900 peak 896 weight 0.10000E+01 volume 0.18269E+03 ppm1 1.917 ppm2 0.843 ASSI { 927} (( segid " " and resid "29 " and name "HB ")) (( segid " " and resid "29 " and name "HA ")) 2.600 0.800 1.000 peak 927 weight 0.10000E+01 volume 0.73434E+02 ppm1 1.751 ppm2 4.677 ASSI { 936} (( segid " " and resid "52 " and name "HB1 ")) (( segid " " and resid "44 " and name "HA ")) 3.500 1.500 1.700 peak 936 weight 0.10000E+01 volume 0.13828E+02 ppm1 1.608 ppm2 4.816 ASSI { 939} (( segid " " and resid "30 " and name "HG12")) (( segid " " and resid "41 " and name "HA ")) 2.500 0.800 1.000 peak 939 weight 0.10000E+01 volume 0.96294E+02 ppm1 1.460 ppm2 4.852 ASSI { 947} (( segid " " and resid "52 " and name "HB2 ")) (( segid " " and resid "44 " and name "HA ")) 4.000 2.000 1.500 peak 947 weight 0.10000E+01 volume 0.57438E+01 ppm1 1.729 ppm2 4.818 ASSI { 948} (( segid " " and resid "25 " and name "HB2 ")) (( segid " " and resid "44 " and name "HA ")) 4.700 2.800 0.800 peak 948 weight 0.10000E+01 volume 0.22340E+01 ppm1 1.697 ppm2 4.814 OR { 948} (( segid " " and resid "25 " and name "HB1 ")) (( segid " " and resid "44 " and name "HA ")) ASSI { 955} (( segid " " and resid "48 " and name "HB1 ")) (( segid " " and resid "47 " and name "HA ")) 2.800 2.800 1.700 peak 955 weight 0.10000E+01 volume 0.44468E+02 ppm1 1.696 ppm2 4.234 ASSI { 958} (( segid " " and resid "64 " and name "HG ")) (( segid " " and resid "64 " and name "HA ")) 2.400 0.700 0.900 peak 958 weight 0.10000E+01 volume 0.13191E+03 ppm1 1.597 ppm2 4.233 ASSI { 971} (( segid " " and resid "52 " and name "HB2 ")) (( segid " " and resid "15 " and name "HB2 ")) 3.300 1.400 1.600 peak 971 weight 0.10000E+01 volume 0.18344E+02 ppm1 1.737 ppm2 3.995 ASSI { 973} (( segid " " and resid "25 " and name "HB2 ")) (( segid " " and resid "44 " and name "HB ")) 2.200 0.600 0.800 peak 973 weight 0.10000E+01 volume 0.22450E+03 ppm1 1.687 ppm2 3.952 ASSI { 988} (( segid " " and resid "25 " and name "HB2 ")) (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) 3.600 1.600 1.800 peak 988 weight 0.10000E+01 volume 0.11303E+02 ppm1 1.695 ppm2 3.136 OR { 988} (( segid " " and resid "25 " and name "HB1 ")) (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) ASSI { 999} (( segid " " and resid "14 " and name "HB ")) (( segid " " and resid "16 " and name "HB2 ")) 2.100 2.100 2.400 peak 999 weight 0.10000E+01 volume 0.25788E+03 ppm1 1.723 ppm2 3.015 ASSI { 1009} (( segid " " and resid "61 " and name "HG12")) (( segid " " and resid "16 " and name "HB2 ")) 3.500 1.500 1.700 peak 1009 weight 0.10000E+01 volume 0.13918E+02 ppm1 1.500 ppm2 3.011 ASSI { 1014} (( segid " " and resid "24 " and name "HB2 ")) (( segid " " and resid "68 " and name "HB ")) 4.800 2.900 0.700 peak 1014 weight 0.10000E+01 volume 0.20263E+01 ppm1 1.689 ppm2 2.239 OR { 1014} (( segid " " and resid "24 " and name "HB1 ")) (( segid " " and resid "68 " and name "HB ")) ASSI { 1022} (( segid " " and resid "64 " and name "HG ")) (( segid " " and resid "21 " and name "HG1 ")) 2.400 0.700 0.900 peak 1022 weight 0.10000E+01 volume 0.12761E+03 ppm1 1.595 ppm2 1.919 OR { 1022} (( segid " " and resid "64 " and name "HG ")) (( segid " " and resid "21 " and name "HG2 ")) ASSI { 1032} (( segid " " and resid "25 " and name "HB2 ")) (( segid " " and resid "26 " and name "HG2 ")) 1.600 0.300 0.600 peak 1032 weight 0.10000E+01 volume 0.16565E+04 ppm1 1.699 ppm2 1.398 ASSI { 1043} (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) (( segid " " and resid "27 " and name "HB1 ")) 1.800 0.400 0.600 peak 1043 weight 0.10000E+01 volume 0.75713E+03 ppm1 1.409 ppm2 1.229 OR { 1043} (( segid " " and resid "24 " and name "HD11") OR ( segid " " and resid "24 " and name "HD13") OR ( segid " " and resid "24 " and name "HD12")) (( segid " " and resid "27 " and name "HB1 ")) ASSI { 1046} (( segid " " and resid "29 " and name "HB ")) (( segid " " and resid "29 " and name "HG21") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG22")) 2.100 0.600 0.800 peak 1046 weight 0.10000E+01 volume 0.27742E+03 ppm1 1.754 ppm2 0.866 ASSI { 1077} (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "44 " and name "HA ")) 4.100 2.100 1.400 peak 1077 weight 0.10000E+01 volume 0.50185E+01 ppm1 1.303 ppm2 4.821 ASSI { 1088} (( segid " " and resid "41 " and name "HG11")) (( segid " " and resid "41 " and name "HA ")) 2.800 1.000 1.200 peak 1088 weight 0.10000E+01 volume 0.47542E+02 ppm1 1.047 ppm2 4.852 OR { 1088} (( segid " " and resid "41 " and name "HG12")) (( segid " " and resid "41 " and name "HA ")) ASSI { 1138} (( segid " " and resid "27 " and name "HG ")) (( segid " " and resid "68 " and name "HG11") OR ( segid " " and resid "68 " and name "HG13") OR ( segid " " and resid "68 " and name "HG12")) 3.500 1.500 1.700 peak 1138 weight 0.10000E+01 volume 0.12739E+02 ppm1 1.303 ppm2 0.984 ASSI { 1141} (( segid " " and resid "27 " and name "HB1 ")) (( segid " " and resid "68 " and name "HG11") OR ( segid " " and resid "68 " and name "HG13") OR ( segid " " and resid "68 " and name "HG12")) 2.700 0.900 1.100 peak 1141 weight 0.10000E+01 volume 0.58173E+02 ppm1 1.223 ppm2 0.983 ASSI { 1145} (( segid " " and resid "42 " and name "HG12")) (( segid " " and resid "42 " and name "HG21") OR ( segid " " and resid "42 " and name "HG23") OR ( segid " " and resid "42 " and name "HG22")) 2.000 0.500 0.700 peak 1145 weight 0.10000E+01 volume 0.42116E+03 ppm1 1.110 ppm2 0.759 OR { 1145} (( segid " " and resid "42 " and name "HG11")) (( segid " " and resid "42 " and name "HG21") OR ( segid " " and resid "42 " and name "HG23") OR ( segid " " and resid "42 " and name "HG22")) ASSI { 1146} (( segid " " and resid "39 " and name "HG21") OR ( segid " " and resid "39 " and name "HG23") OR ( segid " " and resid "39 " and name "HG22")) (( segid " " and resid "29 " and name "HD11") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD12")) 2.200 0.600 0.800 peak 1146 weight 0.10000E+01 volume 0.19887E+03 ppm1 1.048 ppm2 0.736 OR { 1146} (( segid " " and resid "39 " and name "HG11") OR ( segid " " and resid "39 " and name "HG13") OR ( segid " " and resid "39 " and name "HG12")) (( segid " " and resid "29 " and name "HD11") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD12")) ASSI { 1156} (( 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 "27 " and name "HA ")) 3.900 1.900 1.600 peak 1156 weight 0.10000E+01 volume 0.66407E+01 ppm1 0.736 ppm2 5.408 ASSI { 1158} (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) (( segid " " and resid "43 " and name "HA ")) 3.500 1.500 1.700 peak 1158 weight 0.10000E+01 volume 0.13955E+02 ppm1 0.844 ppm2 5.027 ASSI { 1182} (( 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 "32 " and name "HA ")) 4.000 2.000 1.500 peak 1182 weight 0.10000E+01 volume 0.60117E+01 ppm1 1.083 ppm2 4.277 ASSI { 1188} (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) (( segid " " and resid "56 " and name "HA ")) 3.300 1.400 1.600 peak 1188 weight 0.10000E+01 volume 0.19991E+02 ppm1 0.835 ppm2 4.182 OR { 1188} (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) (( segid " " and resid "56 " and name "HA ")) ASSI { 1192} (( segid " " and resid "19 " and name "HG21") OR ( segid " " and resid "19 " and name "HG23") OR ( segid " " and resid "19 " and name "HG22")) (( segid " " and resid "18 " and name "HA ")) 3.000 1.100 1.300 peak 1192 weight 0.10000E+01 volume 0.32020E+02 ppm1 0.767 ppm2 4.310 OR { 1192} (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) (( segid " " and resid "18 " and name "HA ")) ASSI { 1195} (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) (( segid " " and resid "56 " and name "HA ")) 3.200 1.300 1.500 peak 1195 weight 0.10000E+01 volume 0.22185E+02 ppm1 0.699 ppm2 4.181 ASSI { 1196} (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) (( segid " " and resid "64 " and name "HA ")) 3.900 1.900 1.600 peak 1196 weight 0.10000E+01 volume 0.69707E+01 ppm1 0.705 ppm2 4.233 ASSI { 1197} (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) (( segid " " and resid "58 " and name "HB1 ")) 3.500 1.500 1.700 peak 1197 weight 0.10000E+01 volume 0.13323E+02 ppm1 0.700 ppm2 4.135 ASSI { 1200} (( segid " " and resid "68 " and name "HG11") OR ( segid " " and resid "68 " and name "HG13") OR ( segid " " and resid "68 " and name "HG12")) (( segid " " and resid "65 " and name "HA ")) 3.600 1.600 1.800 peak 1200 weight 0.10000E+01 volume 0.10281E+02 ppm1 0.971 ppm2 3.910 ASSI { 1202} (( segid " " and resid "68 " and name "HG21") OR ( segid " " and resid "68 " and name "HG23") OR ( segid " " and resid "68 " and name "HG22")) (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) 4.000 2.000 1.500 peak 1202 weight 0.10000E+01 volume 0.62454E+01 ppm1 1.002 ppm2 3.140 ASSI { 1219} (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) (( segid " " and resid "15 " and name "HB1 ")) 4.000 2.000 1.500 peak 1219 weight 0.10000E+01 volume 0.61065E+01 ppm1 0.700 ppm2 3.840 ASSI { 1223} (( segid " " and resid "19 " and name "HG21") OR ( segid " " and resid "19 " and name "HG23") OR ( segid " " and resid "19 " and name "HG22")) (( segid " " and resid "23 " and name "HB1 ")) 2.600 0.800 1.000 peak 1223 weight 0.10000E+01 volume 0.83740E+02 ppm1 0.767 ppm2 3.980 OR { 1223} (( segid " " and resid "19 " and name "HG21") OR ( segid " " and resid "19 " and name "HG23") OR ( segid " " and resid "19 " and name "HG22")) (( segid " " and resid "23 " and name "HB2 ")) OR { 1223} (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) (( segid " " and resid "23 " and name "HB2 ")) ASSI { 1247} (( segid " " and resid "68 " and name "HG21") OR ( segid " " and resid "68 " and name "HG23") OR ( segid " " and resid "68 " and name "HG22")) (( segid " " and resid "56 " and name "HG1 ")) 3.800 1.800 1.700 peak 1247 weight 0.10000E+01 volume 0.83326E+01 ppm1 0.999 ppm2 2.094 ASSI { 1253} (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) (( segid " " and resid "56 " and name "HG1 ")) 2.900 1.100 1.300 peak 1253 weight 0.10000E+01 volume 0.42917E+02 ppm1 0.700 ppm2 2.075 ASSI { 1292} (( segid " " and resid "19 " and name "HG21") OR ( segid " " and resid "19 " and name "HG23") OR ( segid " " and resid "19 " and name "HG22")) (( segid " " and resid "19 " and name "HB ")) 1.700 0.400 0.600 peak 1292 weight 0.10000E+01 volume 0.10006E+04 ppm1 0.768 ppm2 1.870 OR { 1292} (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) (( segid " " and resid "19 " and name "HB ")) ASSI { 1306} (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) (( segid " " and resid "27 " and name "HB1 ")) 3.800 1.800 1.700 peak 1306 weight 0.10000E+01 volume 0.81969E+01 ppm1 0.725 ppm2 1.224 ASSI { 1307} (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) 2.200 0.600 0.800 peak 1307 weight 0.10000E+01 volume 0.18921E+03 ppm1 0.733 ppm2 1.301 ASSI { 1308} (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) 3.700 1.700 1.800 peak 1308 weight 0.10000E+01 volume 0.98633E+01 ppm1 0.699 ppm2 1.302 ASSI { 1312} (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) (( segid " " and resid "54 " and name "HB1 ")) 2.300 0.700 0.900 peak 1312 weight 0.10000E+01 volume 0.17439E+03 ppm1 0.701 ppm2 1.451 OR { 1312} (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) (( segid " " and resid "54 " and name "HB2 ")) ASSI { 1320} (( segid " " and resid "29 " and name "HG11")) (( segid " " and resid "29 " and name "HD11") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD12")) 1.800 0.400 0.600 peak 1320 weight 0.10000E+01 volume 0.67488E+03 ppm1 0.954 ppm2 0.742 OR { 1320} (( segid " " and resid "29 " and name "HG12")) (( segid " " and resid "29 " and name "HD11") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD12")) ASSI { 1325} (( segid " " and resid "53 " and name "HA ")) (( segid " " and resid "11 " and name "HB1 ")) 2.500 2.500 2.000 peak 1325 weight 0.10000E+01 volume 0.90007E+02 ppm1 5.814 ppm2 3.293 ASSI { 1332} (( segid " " and resid "53 " and name "HA ")) (( segid " " and resid "42 " and name "HG11")) 3.900 1.900 1.600 peak 1332 weight 0.10000E+01 volume 0.71504E+01 ppm1 5.814 ppm2 1.110 OR { 1332} (( segid " " and resid "53 " and name "HA ")) (( segid " " and resid "42 " and name "HG12")) ASSI { 1333} (( segid " " and resid "53 " and name "HA ")) (( segid " " and resid "42 " and name "HG21") OR ( segid " " and resid "42 " and name "HG23") OR ( segid " " and resid "42 " and name "HG22")) 2.700 0.900 1.100 peak 1333 weight 0.10000E+01 volume 0.67123E+02 ppm1 5.814 ppm2 0.761 ASSI { 1348} (( segid " " and resid "35 " and name "HD1 ") OR ( segid " " and resid "35 " and name "HD2 ")) (( segid " " and resid "7 " and name "HB ")) 4.900 3.000 0.600 peak 1348 weight 0.10000E+01 volume 0.16784E+01 ppm1 7.273 ppm2 2.080 ASSI { 1349} (( segid " " and resid "35 " and name "HD1 ") OR ( segid " " and resid "35 " and name "HD2 ")) (( segid " " and resid "34 " and name "HB1 ")) 4.500 2.500 1.000 peak 1349 weight 0.10000E+01 volume 0.28319E+01 ppm1 7.271 ppm2 1.780 ASSI { 1356} (( segid " " and resid "35 " and name "HE1 ") OR ( segid " " and resid "35 " and name "HE2 ")) (( segid " " and resid "7 " and name "HG11") OR ( segid " " and resid "7 " and name "HG13") OR ( segid " " and resid "7 " and name "HG12")) 5.500 3.800 0.000 peak 1356 weight 0.10000E+01 volume 0.37420E+00 ppm1 7.380 ppm2 0.955 ASSI { 1360} (( segid " " and resid "9 " and name "HB1 ")) (( segid " " and resid "10 " and name "HB ")) 4.000 2.000 1.500 peak 1360 weight 0.10000E+01 volume 0.61429E+01 ppm1 2.696 ppm2 4.154 ASSI { 1372} (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) 1.900 0.500 0.700 peak 1372 weight 0.10000E+01 volume 0.55115E+03 ppm1 0.699 ppm2 0.844 OR { 1372} (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) ASSI { 1378} (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) (( segid " " and resid "39 " and name "HG21") OR ( segid " " and resid "39 " and name "HG23") OR ( segid " " and resid "39 " and name "HG22")) 2.000 0.500 0.700 peak 1378 weight 0.10000E+01 volume 0.41293E+03 ppm1 0.827 ppm2 1.055 OR { 1378} (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) (( segid " " and resid "39 " and name "HG11") OR ( segid " " and resid "39 " and name "HG13") OR ( segid " " and resid "39 " and name "HG12")) ASSI { 1386} (( segid " " and resid "29 " and name "HB ")) (( segid " " and resid "65 " and name "HA ")) 2.800 2.800 1.700 peak 1386 weight 0.10000E+01 volume 0.45190E+02 ppm1 1.739 ppm2 3.910 ASSI { 1390} (( segid " " and resid "64 " and name "HB2 ")) (( segid " " and resid "56 " and name "HD2 ")) 3.100 1.200 1.400 peak 1390 weight 0.10000E+01 volume 0.26824E+02 ppm1 2.046 ppm2 3.973 OR { 1390} (( segid " " and resid "64 " and name "HB2 ")) (( segid " " and resid "56 " and name "HD1 ")) OR { 1390} (( segid " " and resid "64 " and name "HB1 ")) (( segid " " and resid "56 " and name "HD2 ")) ASSI { 1393} (( segid " " and resid "39 " and name "HG21") OR ( segid " " and resid "39 " and name "HG23") OR ( segid " " and resid "39 " and name "HG22")) (( segid " " and resid "29 " and name "HA ")) 3.300 1.400 1.600 peak 1393 weight 0.10000E+01 volume 0.19115E+02 ppm1 1.057 ppm2 4.685 OR { 1393} (( segid " " and resid "39 " and name "HG11") OR ( segid " " and resid "39 " and name "HG13") OR ( segid " " and resid "39 " and name "HG12")) (( segid " " and resid "29 " and name "HA ")) ASSI { 1398} (( segid " " and resid "29 " and name "HD11") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD12")) (( segid " " and resid "31 " and name "HD1 ")) 3.500 1.500 1.700 peak 1398 weight 0.10000E+01 volume 0.13738E+02 ppm1 0.738 ppm2 4.052 ASSI { 1400} (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) (( segid " " and resid "31 " and name "HD1 ")) 3.800 1.800 1.700 peak 1400 weight 0.10000E+01 volume 0.79907E+01 ppm1 1.166 ppm2 4.043 ASSI { 1404} (( segid " " and resid "35 " and name "HA ")) (( segid " " and resid "35 " and name "HE1 ") OR ( segid " " and resid "35 " and name "HE2 ")) 3.500 1.500 1.700 peak 1404 weight 0.10000E+01 volume 0.13134E+02 ppm1 4.681 ppm2 7.377 ASSI { 1412} (( segid " " and resid "18 " and name "HA ")) (( segid " " and resid "18 " and name "HD1 ")) 3.200 1.300 1.500 peak 1412 weight 0.10000E+01 volume 0.22536E+02 ppm1 4.318 ppm2 3.836 ASSI { 1455} (( segid " " and resid "37 " and name "HB1 ")) (( segid " " and resid "37 " and name "HG1 ")) 2.300 0.700 0.900 peak 1455 weight 0.10000E+01 volume 0.16854E+03 ppm1 2.122 ppm2 1.830 OR { 1455} (( segid " " and resid "37 " and name "HB2 ")) (( segid " " and resid "37 " and name "HG2 ")) OR { 1455} (( segid " " and resid "37 " and name "HB1 ")) (( segid " " and resid "37 " and name "HG2 ")) ASSI { 1465} (( segid " " and resid "27 " and name "HB1 ")) (( segid " " and resid "29 " and name "HG21") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG22")) 2.800 1.000 1.200 peak 1465 weight 0.10000E+01 volume 0.46014E+02 ppm1 1.225 ppm2 0.851 ASSI { 1468} (( segid " " and resid "52 " and name "HB1 ")) (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) 2.200 2.200 2.300 peak 1468 weight 0.10000E+01 volume 0.22966E+03 ppm1 1.609 ppm2 1.301 ASSI { 1470} (( segid " " and resid "52 " and name "HB2 ")) (( segid " " and resid "52 " and name "HB1 ")) 1.600 0.300 0.600 peak 1470 weight 0.10000E+01 volume 0.12374E+04 ppm1 1.733 ppm2 1.620 ASSI { 7} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "11 " and name "HB1 ")) 5.500 3.800 0.000 peak 7 weight 0.10000E+01 volume 0.33550E+00 ppm1 10.466 ppm2 3.278 OR { 7} (( segid " " and resid "10 " and name "HN ")) (( segid " " and resid "35 " and name "HB2 ")) ASSI { 55} (( segid " " and resid "52 " and name "HN ")) (( segid " " and resid "42 " and name "HA ")) 5.000 3.100 0.500 peak 55 weight 0.10000E+01 volume -0.30800E+00 ppm1 9.083 ppm2 4.583 OR { 55} (( segid " " and resid "53 " and name "HN ")) (( segid " " and resid "42 " and name "HA ")) ASSI { 109} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "41 " and name "HB ")) 5.500 3.800 0.000 peak 109 weight 0.10000E+01 volume 0.73800E-01 ppm1 9.210 ppm2 1.894 OR { 109} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "40 " and name "HB2 ")) ASSI { 111} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "41 " and name "HB ")) 5.000 3.100 0.500 peak 111 weight 0.10000E+01 volume -0.53700E+00 ppm1 9.302 ppm2 1.892 OR { 111} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "40 " and name "HB2 ")) ASSI { 132} (( segid " " and resid "53 " and name "HN ")) (( segid " " and resid "54 " and name "HB1 ")) 5.500 3.800 0.000 peak 132 weight 0.10000E+01 volume 0.33530E+00 ppm1 9.073 ppm2 1.449 OR { 132} (( segid " " and resid "53 " and name "HN ")) (( segid " " and resid "54 " and name "HB2 ")) OR { 132} (( segid " " and resid "52 " and name "HN ")) (( segid " " and resid "54 " and name "HB2 ")) ASSI { 136} (( segid " " and resid "52 " and name "HN ")) (( segid " " and resid "52 " and name "HB2 ")) 5.000 3.100 0.500 peak 136 weight 0.10000E+01 volume -0.87900E+00 ppm1 9.077 ppm2 1.731 OR { 136} (( segid " " and resid "53 " and name "HN ")) (( segid " " and resid "52 " and name "HB2 ")) ASSI { 146} (( segid " " and resid "43 " and name "HN ")) (( segid " " and resid "42 " and name "HG21") OR ( segid " " and resid "42 " and name "HG23") OR ( segid " " and resid "42 " and name "HG22")) 5.000 3.100 0.500 peak 146 weight 0.10000E+01 volume -0.10220E+01 ppm1 9.501 ppm2 0.750 OR { 146} (( segid " " and resid "43 " and name "HN ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) ASSI { 155} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "41 " and name "HG11")) 5.000 3.100 0.500 peak 155 weight 0.10000E+01 volume -0.28800E+00 ppm1 9.305 ppm2 1.046 OR { 155} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "41 " and name "HG12")) OR { 155} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "39 " and name "HG21") OR ( segid " " and resid "39 " and name "HG23") OR ( segid " " and resid "39 " and name "HG22")) ASSI { 157} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "42 " and name "HG21") OR ( segid " " and resid "42 " and name "HG23") OR ( segid " " and resid "42 " and name "HG22")) 5.000 3.100 0.500 peak 157 weight 0.10000E+01 volume -0.41560E+01 ppm1 9.303 ppm2 0.763 OR { 157} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) OR { 157} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) OR { 157} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "65 " and name "HD21") OR ( segid " " and resid "65 " and name "HD23") OR ( segid " " and resid "65 " and name "HD22")) ASSI { 160} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "42 " and name "HG21") OR ( segid " " and resid "42 " and name "HG23") OR ( segid " " and resid "42 " and name "HG22")) 5.000 3.100 0.500 peak 160 weight 0.10000E+01 volume -0.20930E+01 ppm1 9.201 ppm2 0.758 OR { 160} (( segid " " and resid "42 " and name "HN ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) ASSI { 165} (( segid " " and resid "52 " and name "HN ")) (( segid " " and resid "42 " and name "HG21") OR ( segid " " and resid "42 " and name "HG23") OR ( segid " " and resid "42 " and name "HG22")) 5.000 3.100 0.500 peak 165 weight 0.10000E+01 volume -0.37750E+01 ppm1 9.072 ppm2 0.748 OR { 165} (( segid " " and resid "53 " and name "HN ")) (( segid " " and resid "42 " and name "HG21") OR ( segid " " and resid "42 " and name "HG23") OR ( segid " " and resid "42 " and name "HG22")) OR { 165} (( segid " " and resid "52 " and name "HN ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) ASSI { 166} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) 5.000 3.100 0.500 peak 166 weight 0.10000E+01 volume -0.52300E+00 ppm1 8.962 ppm2 0.764 OR { 166} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) ASSI { 169} (( segid " " and resid "15 " and name "HN ")) (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) 5.000 3.100 0.500 peak 169 weight 0.10000E+01 volume -0.27770E+01 ppm1 8.702 ppm2 0.762 OR { 169} (( segid " " and resid "15 " and name "HN ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) OR { 169} (( segid " " and resid "15 " and name "HN ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) OR { 169} (( segid " " and resid "15 " and name "HN ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) ASSI { 176} (( segid " " and resid "44 " and name "HN ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) 5.000 3.100 0.500 peak 176 weight 0.10000E+01 volume -0.32460E+01 ppm1 8.551 ppm2 0.761 OR { 176} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) ASSI { 178} (( segid " " and resid "55 " and name "HN ")) (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) 5.000 3.100 0.500 peak 178 weight 0.10000E+01 volume -0.42000E-01 ppm1 8.481 ppm2 0.711 OR { 178} (( segid " " and resid "55 " and name "HN ")) (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) ASSI { 180} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) 5.000 3.100 0.500 peak 180 weight 0.10000E+01 volume -0.19240E+01 ppm1 8.480 ppm2 0.762 OR { 180} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) OR { 180} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "42 " and name "HG21") OR ( segid " " and resid "42 " and name "HG23") OR ( segid " " and resid "42 " and name "HG22")) OR { 180} (( segid " " and resid "55 " and name "HN ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) ASSI { 187} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) 5.500 3.800 0.000 peak 187 weight 0.10000E+01 volume 0.22600E-01 ppm1 8.308 ppm2 0.701 OR { 187} (( segid " " and resid "62 " and name "HN ")) (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) ASSI { 195} (( segid " " and resid "8 " and name "HN ")) (( segid " " and resid "10 " and name "HG21") OR ( segid " " and resid "10 " and name "HG23") OR ( segid " " and resid "10 " and name "HG22")) 5.000 3.100 0.500 peak 195 weight 0.10000E+01 volume -0.38200E+00 ppm1 8.591 ppm2 1.169 OR { 195} (( segid " " and resid "8 " and name "HN ")) (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) ASSI { 201} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "27 " and name "HG ")) 5.000 3.100 0.500 peak 201 weight 0.10000E+01 volume 0.93010E+00 ppm1 8.487 ppm2 1.303 OR { 201} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) ASSI { 208} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "47 " and name "HG1 ")) 5.000 3.100 0.500 peak 208 weight 0.10000E+01 volume -0.14360E+01 ppm1 8.664 ppm2 1.450 OR { 208} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "48 " and name "HG1 ")) ASSI { 222} (( segid " " and resid "12 " and name "HN ")) (( segid " " and resid "12 " and name "HB ")) 5.000 3.100 0.500 peak 222 weight 0.10000E+01 volume -0.17400E+00 ppm1 8.673 ppm2 1.937 OR { 222} (( segid " " and resid "48 " and name "HN ")) (( segid " " and resid "47 " and name "HB1 ")) ASSI { 238} (( segid " " and resid "51 " and name "HN ")) (( segid " " and resid "50 " and name "HB2 ")) 5.000 3.100 0.500 peak 238 weight 0.10000E+01 volume -0.27400E+00 ppm1 8.486 ppm2 1.901 OR { 238} (( segid " " and resid "51 " and name "HN ")) (( segid " " and resid "50 " and name "HB1 ")) OR { 238} (( segid " " and resid "28 " and name "HN ")) (( segid " " and resid "27 " and name "HB2 ")) ASSI { 242} (( segid " " and resid "51 " and name "HN ")) (( segid " " and resid "52 " and name "HB1 ")) 5.000 3.100 0.500 peak 242 weight 0.10000E+01 volume -0.81600E+00 ppm1 8.479 ppm2 1.629 OR { 242} (( segid " " and resid "55 " and name "HN ")) (( segid " " and resid "61 " and name "HG11")) ASSI { 250} (( segid " " and resid "40 " and name "HN ")) (( segid " " and resid "39 " and name "HB ")) 5.500 3.800 0.000 peak 250 weight 0.10000E+01 volume 0.43420E+00 ppm1 8.416 ppm2 1.880 OR { 250} (( segid " " and resid "40 " and name "HN ")) (( segid " " and resid "41 " and name "HB ")) ASSI { 287} (( segid " " and resid "8 " and name "HN ")) (( segid " " and resid "8 " and name "HA ")) 5.000 3.100 0.500 peak 287 weight 0.10000E+01 volume -0.18590E+01 ppm1 8.591 ppm2 4.678 OR { 287} (( segid " " and resid "8 " and name "HN ")) (( segid " " and resid "35 " and name "HA ")) ASSI { 292} (( segid " " and resid "40 " and name "HN ")) (( segid " " and resid "29 " and name "HA ")) 5.000 3.100 0.500 peak 292 weight 0.10000E+01 volume -0.14930E+01 ppm1 8.409 ppm2 4.679 OR { 292} (( segid " " and resid "40 " and name "HN ")) (( segid " " and resid "30 " and name "HA ")) ASSI { 314} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "21 " and name "HD2 ")) 5.500 3.800 0.000 peak 314 weight 0.10000E+01 volume 0.45290E+00 ppm1 8.549 ppm2 3.996 OR { 314} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "23 " and name "HB1 ")) OR { 314} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "23 " and name "HB2 ")) ASSI { 346} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "20 " and name "HA ")) 5.000 3.100 0.500 peak 346 weight 0.10000E+01 volume -0.10000E-02 ppm1 8.097 ppm2 4.926 OR { 346} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "45 " and name "HA ")) ASSI { 388} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "63 " and name "HA ")) 5.000 3.100 0.500 peak 388 weight 0.10000E+01 volume -0.32300E+00 ppm1 8.301 ppm2 4.495 OR { 388} (( segid " " and resid "62 " and name "HN ")) (( segid " " and resid "63 " and name "HA ")) ASSI { 418} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "64 " and name "HA ")) 5.400 3.600 0.100 peak 418 weight 0.10000E+01 volume 0.62190E+00 ppm1 8.299 ppm2 4.222 OR { 418} (( segid " " and resid "62 " and name "HN ")) (( segid " " and resid "60 " and name "HA ")) ASSI { 432} (( segid " " and resid "62 " and name "HN ")) (( segid " " and resid "62 " and name "HA ")) 4.300 2.300 1.200 peak 432 weight 0.10000E+01 volume 0.22618E+01 ppm1 8.308 ppm2 3.903 OR { 432} (( segid " " and resid "65 " and name "HN ")) (( segid " " and resid "65 " and name "HA ")) OR { 432} (( segid " " and resid "62 " and name "HN ")) (( segid " " and resid "61 " and name "HA ")) ASSI { 439} (( segid " " and resid "17 " and name "HN ")) (( segid " " and resid "15 " and name "HB1 ")) 5.000 3.100 0.500 peak 439 weight 0.10000E+01 volume -0.11000E+00 ppm1 7.928 ppm2 3.839 OR { 439} (( segid " " and resid "17 " and name "HN ")) (( segid " " and resid "18 " and name "HD1 ")) ASSI { 444} (( segid " " and resid "69 " and name "HN ")) (( segid " " and resid "68 " and name "HA ")) 5.500 3.800 0.000 peak 444 weight 0.10000E+01 volume 0.41200E-01 ppm1 7.947 ppm2 4.116 OR { 444} (( segid " " and resid "69 " and name "HN ")) (( segid " " and resid "66 " and name "HA ")) ASSI { 454} (( segid " " and resid "13 " and name "HN ")) (( segid " " and resid "12 " and name "HA ")) 5.500 3.800 0.000 peak 454 weight 0.10000E+01 volume 0.12650E+00 ppm1 7.800 ppm2 4.110 OR { 454} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "66 " and name "HA ")) ASSI { 516} (( segid " " and resid "9 " and name "HN ")) (( segid " " and resid "8 " and name "HG1 ")) 5.000 3.100 0.500 peak 516 weight 0.10000E+01 volume -0.16380E+01 ppm1 8.060 ppm2 1.556 OR { 516} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "67 " and name "HB1 ") OR ( segid " " and resid "67 " and name "HB3 ") OR ( segid " " and resid "67 " and name "HB2 ")) ASSI { 518} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "24 " and name "HB2 ")) 5.000 3.100 0.500 peak 518 weight 0.10000E+01 volume -0.10090E+01 ppm1 8.092 ppm2 1.685 OR { 518} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "24 " and name "HB1 ")) OR { 518} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "47 " and name "HG2 ")) ASSI { 526} (( segid " " and resid "47 " and name "HN ")) (( segid " " and resid "47 " and name "HG2 ")) 5.000 3.100 0.500 peak 526 weight 0.10000E+01 volume -0.86800E+00 ppm1 8.158 ppm2 1.682 OR { 526} (( segid " " and resid "47 " and name "HN ")) (( segid " " and resid "48 " and name "HB1 ")) ASSI { 586} (( segid " " and resid "60 " and name "HN ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) 5.000 3.100 0.500 peak 586 weight 0.10000E+01 volume -0.31400E+00 ppm1 8.216 ppm2 0.760 OR { 586} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) OR { 586} (( segid " " and resid "46 " and name "HN ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) ASSI { 593} (( segid " " and resid "9 " and name "HN ")) (( segid " " and resid "10 " and name "HG21") OR ( segid " " and resid "10 " and name "HG23") OR ( segid " " and resid "10 " and name "HG22")) 5.500 3.800 0.000 peak 593 weight 0.10000E+01 volume 0.55110E+00 ppm1 8.060 ppm2 1.171 OR { 593} (( segid " " and resid "9 " and name "HN ")) (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) ASSI { 603} (( segid " " and resid "68 " and name "HN ")) (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) 5.000 3.100 0.500 peak 603 weight 0.10000E+01 volume -0.21700E+00 ppm1 8.089 ppm2 0.829 OR { 603} (( segid " " and resid "68 " and name "HN ")) (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) OR { 603} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) ASSI { 604} (( segid " " and resid "68 " and name "HN ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) 5.000 3.100 0.500 peak 604 weight 0.10000E+01 volume -0.25720E+01 ppm1 8.091 ppm2 0.764 OR { 604} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "19 " and name "HG21") OR ( segid " " and resid "19 " and name "HG23") OR ( segid " " and resid "19 " and name "HG22")) OR { 604} (( segid " " and resid "68 " and name "HN ")) (( segid " " and resid "65 " and name "HD21") OR ( segid " " and resid "65 " and name "HD23") OR ( segid " " and resid "65 " and name "HD22")) OR { 604} (( segid " " and resid "23 " and name "HN ")) (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) OR { 604} (( segid " " and resid "68 " and name "HN ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) OR { 604} (( segid " " and resid "68 " and name "HN ")) (( segid " " and resid "65 " and name "HD11") OR ( segid " " and resid "65 " and name "HD13") OR ( segid " " and resid "65 " and name "HD12")) ASSI { 605} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) 5.000 3.100 0.500 peak 605 weight 0.10000E+01 volume -0.22640E+01 ppm1 8.057 ppm2 0.765 OR { 605} (( segid " " and resid "63 " and name "HN ")) (( segid " " and resid "65 " and name "HD11") OR ( segid " " and resid "65 " and name "HD13") OR ( segid " " and resid "65 " and name "HD12")) ASSI { 619} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "65 " and name "HD11") OR ( segid " " and resid "65 " and name "HD13") OR ( segid " " and resid "65 " and name "HD12")) 5.000 3.100 0.500 peak 619 weight 0.10000E+01 volume -0.11300E+00 ppm1 7.799 ppm2 0.767 OR { 619} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "65 " and name "HD21") OR ( segid " " and resid "65 " and name "HD23") OR ( segid " " and resid "65 " and name "HD22")) OR { 619} (( segid " " and resid "67 " and name "HN ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) ASSI { 624} (( segid " " and resid "64 " and name "HN ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) 5.500 3.800 0.000 peak 624 weight 0.10000E+01 volume 0.39000E+00 ppm1 7.752 ppm2 0.762 OR { 624} (( segid " " and resid "64 " and name "HN ")) (( segid " " and resid "65 " and name "HD11") OR ( segid " " and resid "65 " and name "HD13") OR ( segid " " and resid "65 " and name "HD12")) ASSI { 628} (( segid " " and resid "61 " and name "HN ")) (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) 5.000 3.100 0.500 peak 628 weight 0.10000E+01 volume -0.28800E+00 ppm1 7.297 ppm2 0.700 OR { 628} (( segid " " and resid "58 " and name "HN ")) (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) ASSI { 646} (( segid " " and resid "35 " and name "HD1 ") OR ( segid " " and resid "35 " and name "HD2 ")) (( segid " " and resid "10 " and name "HG21") OR ( segid " " and resid "10 " and name "HG23") OR ( segid " " and resid "10 " and name "HG22")) 4.000 2.000 1.500 peak 646 weight 0.10000E+01 volume 0.34763E+01 ppm1 7.269 ppm2 1.170 OR { 646} (( segid " " and resid "35 " and name "HD1 ") OR ( segid " " and resid "35 " and name "HD2 ")) (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) ASSI { 658} (( segid " " and resid "24 " and name "HN ")) (( segid " " and resid "24 " and name "HB1 ")) 2.800 1.000 1.200 peak 658 weight 0.10000E+01 volume 0.33571E+02 ppm1 7.270 ppm2 1.689 OR { 658} (( segid " " and resid "24 " and name "HN ")) (( segid " " and resid "24 " and name "HB2 ")) OR { 658} (( segid " " and resid "35 " and name "HD1 ") OR ( segid " " and resid "35 " and name "HD2 ")) (( segid " " and resid "34 " and name "HG1 ")) ASSI { 661} (( segid " " and resid "35 " and name "HE1 ") OR ( segid " " and resid "35 " and name "HE2 ")) (( segid " " and resid "34 " and name "HG2 ")) 3.400 1.400 1.600 peak 661 weight 0.10000E+01 volume 0.95025E+01 ppm1 7.377 ppm2 1.701 OR { 661} (( segid " " and resid "35 " and name "HE1 ") OR ( segid " " and resid "35 " and name "HE2 ")) (( segid " " and resid "34 " and name "HG1 ")) OR { 661} (( segid " " and resid "35 " and name "HE1 ") OR ( segid " " and resid "35 " and name "HE2 ")) (( segid " " and resid "8 " and name "HG2 ")) ASSI { 664} (( segid " " and resid "19 " and name "HN ")) (( segid " " and resid "19 " and name "HB ")) 5.400 3.600 0.100 peak 664 weight 0.10000E+01 volume 0.59020E+00 ppm1 7.553 ppm2 1.865 OR { 664} (( segid " " and resid "19 " and name "HN ")) (( segid " " and resid "17 " and name "HB1 ")) ASSI { 665} (( segid " " and resid "19 " and name "HN ")) (( segid " " and resid "18 " and name "HG2 ")) 5.000 3.100 0.500 peak 665 weight 0.10000E+01 volume -0.65500E+00 ppm1 7.552 ppm2 1.901 OR { 665} (( segid " " and resid "20 " and name "HD21")) (( segid " " and resid "59 " and name "HB1 ")) ASSI { 740} (( segid " " and resid "36 " and name "HN ")) (( segid " " and resid "32 " and name "HA ")) 5.000 3.100 0.500 peak 740 weight 0.10000E+01 volume -0.10290E+01 ppm1 7.247 ppm2 4.266 OR { 740} (( segid " " and resid "36 " and name "HN ")) (( segid " " and resid "7 " and name "HA ")) ASSI { 786} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "20 " and name "HD21")) 5.500 3.800 0.000 peak 786 weight 0.10000E+01 volume 0.64100E-01 ppm1 8.966 ppm2 7.553 OR { 786} (( segid " " and resid "16 " and name "HN ")) (( segid " " and resid "19 " and name "HN ")) ASSI { 806} (( segid " " and resid "8 " and name "HN ")) (( segid " " and resid "9 " and name "HN ")) 5.500 3.800 0.000 peak 806 weight 0.10000E+01 volume 0.15940E+00 ppm1 8.591 ppm2 8.048 OR { 806} (( segid " " and resid "8 " and name "HN ")) (( segid " " and resid "7 " and name "HN ")) ASSI { 807} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "19 " and name "HN ")) 5.000 3.100 0.500 peak 807 weight 0.10000E+01 volume -0.22100E+00 ppm1 8.549 ppm2 7.551 OR { 807} (( segid " " and resid "20 " and name "HN ")) (( segid " " and resid "20 " and name "HD21")) ASSI { 879} (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) (( segid " " and resid "21 " and name "HG1 ")) 2.000 2.000 2.500 peak 879 weight 0.10000E+01 volume 0.21809E+03 ppm1 0.765 ppm2 1.938 OR { 879} (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) (( segid " " and resid "21 " and name "HG1 ")) OR { 879} (( segid " " and resid "19 " and name "HG21") OR ( segid " " and resid "19 " and name "HG23") OR ( segid " " and resid "19 " and name "HG22")) (( segid " " and resid "47 " and name "HB1 ")) OR { 879} (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) (( segid " " and resid "21 " and name "HG2 ")) OR { 879} (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) (( segid " " and resid "21 " and name "HG2 ")) OR { 879} (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) (( segid " " and resid "21 " and name "HG1 ")) ASSI { 916} (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) (( segid " " and resid "25 " and name "HA ")) 4.500 2.500 1.000 peak 916 weight 0.10000E+01 volume 0.18438E+01 ppm1 3.138 ppm2 4.463 OR { 916} (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) (( segid " " and resid "28 " and name "HA ")) ASSI { 937} (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) 2.300 2.300 2.200 peak 937 weight 0.10000E+01 volume 0.95388E+02 ppm1 0.763 ppm2 1.157 OR { 937} (( 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 "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) OR { 937} (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) OR { 937} (( segid " " and resid "65 " and name "HD21") OR ( segid " " and resid "65 " and name "HD23") OR ( segid " " and resid "65 " and name "HD22")) (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) ASSI { 949} (( segid " " and resid "29 " and name "HD11") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD12")) (( segid " " and resid "30 " and name "HA ")) 2.500 0.800 1.000 peak 949 weight 0.10000E+01 volume 0.59883E+02 ppm1 0.738 ppm2 4.677 OR { 949} (( segid " " and resid "29 " and name "HD11") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD12")) (( segid " " and resid "29 " and name "HA ")) ASSI { 980} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "55 " and name "HA ")) 5.000 3.100 0.500 peak 980 weight 0.10000E+01 volume 0.95220E+00 ppm1 9.306 ppm2 4.682 OR { 980} (( segid " " and resid "41 " and name "HN ")) (( segid " " and resid "29 " and name "HA ")) ASSI { 1043} (( segid " " and resid "61 " and name "HA ")) (( segid " " and resid "56 " and name "HA ")) 1.800 1.800 2.700 peak 1043 weight 0.10000E+01 volume 0.44687E+03 ppm1 3.904 ppm2 4.169 OR { 1043} (( segid " " and resid "62 " and name "HA ")) (( segid " " and resid "56 " and name "HA ")) ASSI { 1146} (( segid " " and resid "56 " and name "HB1 ")) (( segid " " and resid "57 " and name "HA ")) 2.800 1.000 1.200 peak 1146 weight 0.10000E+01 volume 0.29713E+02 ppm1 2.132 ppm2 4.271 OR { 1146} (( segid " " and resid "56 " and name "HB2 ")) (( segid " " and resid "57 " and name "HA ")) OR { 1146} (( segid " " and resid "30 " and name "HB ")) (( segid " " and resid "32 " and name "HA ")) ASSI { 1152} (( segid " " and resid "7 " and name "HB ")) (( segid " " and resid "35 " and name "HA ")) 3.100 1.200 1.400 peak 1152 weight 0.10000E+01 volume 0.16864E+02 ppm1 2.072 ppm2 4.681 OR { 1152} (( segid " " and resid "40 " and name "HB1 ")) (( segid " " and resid "30 " and name "HA ")) OR { 1152} (( segid " " and resid "56 " and name "HG1 ")) (( segid " " and resid "55 " and name "HA ")) OR { 1152} (( segid " " and resid "7 " and name "HB ")) (( segid " " and resid "8 " and name "HA ")) ASSI { 1167} (( segid " " and resid "27 " and name "HB2 ")) (( segid " " and resid "43 " and name "HA ")) 3.400 1.400 1.600 peak 1167 weight 0.10000E+01 volume 0.10066E+02 ppm1 1.894 ppm2 5.016 OR { 1167} (( segid " " and resid "26 " and name "HB2 ")) (( segid " " and resid "43 " and name "HA ")) OR { 1167} (( segid " " and resid "41 " and name "HB ")) (( segid " " and resid "54 " and name "HA ")) ASSI { 1174} (( segid " " and resid "12 " and name "HB ")) (( segid " " and resid "12 " and name "HA ")) 2.200 0.600 0.800 peak 1174 weight 0.10000E+01 volume 0.12634E+03 ppm1 1.947 ppm2 4.111 OR { 1174} (( segid " " and resid "66 " and name "HB2 ")) (( segid " " and resid "66 " and name "HA ")) ASSI { 1180} (( segid " " and resid "39 " and name "HB ")) (( segid " " and resid "38 " and name "HA ")) 5.000 3.100 0.500 peak 1180 weight 0.10000E+01 volume -0.34490E+01 ppm1 1.892 ppm2 4.728 OR { 1180} (( segid " " and resid "40 " and name "HB2 ")) (( segid " " and resid "9 " and name "HA ")) ASSI { 1181} (( segid " " and resid "19 " and name "HB ")) (( segid " " and resid "20 " and name "HA ")) 3.800 1.800 1.700 peak 1181 weight 0.10000E+01 volume 0.46356E+01 ppm1 1.859 ppm2 4.919 OR { 1181} (( segid " " and resid "17 " and name "HB1 ")) (( segid " " and resid "20 " and name "HA ")) ASSI { 1196} (( segid " " and resid "8 " and name "HG2 ")) (( segid " " and resid "8 " and name "HA ")) 2.800 1.000 1.200 peak 1196 weight 0.10000E+01 volume 0.30631E+02 ppm1 1.696 ppm2 4.676 OR { 1196} (( segid " " and resid "34 " and name "HG1 ")) (( segid " " and resid "35 " and name "HA ")) ASSI { 1199} (( segid " " and resid "47 " and name "HG2 ")) (( segid " " and resid "47 " and name "HA ")) 2.600 0.800 1.000 peak 1199 weight 0.10000E+01 volume 0.48629E+02 ppm1 1.689 ppm2 4.227 OR { 1199} (( segid " " and resid "24 " and name "HB2 ")) (( segid " " and resid "64 " and name "HA ")) ASSI { 1203} (( segid " " and resid "25 " and name "HB1 ")) (( segid " " and resid "45 " and name "HA ")) 3.000 1.100 1.300 peak 1203 weight 0.10000E+01 volume 0.19765E+02 ppm1 1.688 ppm2 4.922 OR { 1203} (( segid " " and resid "25 " and name "HB2 ")) (( segid " " and resid "45 " and name "HA ")) OR { 1203} (( segid " " and resid "24 " and name "HB2 ")) (( segid " " and resid "45 " and name "HA ")) ASSI { 1218} (( segid " " and resid "30 " and name "HG12")) (( segid " " and resid "29 " and name "HA ")) 2.800 1.000 1.200 peak 1218 weight 0.10000E+01 volume 0.29746E+02 ppm1 1.458 ppm2 4.682 OR { 1218} (( segid " " and resid "30 " and name "HG12")) (( segid " " and resid "30 " and name "HA ")) ASSI { 1219} (( segid " " and resid "54 " and name "HB2 ")) (( segid " " and resid "42 " and name "HA ")) 3.800 1.800 1.700 peak 1219 weight 0.10000E+01 volume 0.49459E+01 ppm1 1.447 ppm2 4.585 OR { 1219} (( segid " " and resid "30 " and name "HG12")) (( segid " " and resid "42 " and name "HA ")) OR { 1219} (( segid " " and resid "60 " and name "HB1 ") OR ( segid " " and resid "60 " and name "HB3 ") OR ( segid " " and resid "60 " and name "HB2 ")) (( segid " " and resid "17 " and name "HA ")) OR { 1219} (( segid " " and resid "54 " and name "HB1 ")) (( segid " " and resid "42 " and name "HA ")) ASSI { 1229} (( segid " " and resid "24 " and name "HD11") OR ( segid " " and resid "24 " and name "HD13") OR ( segid " " and resid "24 " and name "HD12")) (( segid " " and resid "45 " and name "HA ")) 3.500 1.500 1.700 peak 1229 weight 0.10000E+01 volume 0.76450E+01 ppm1 1.399 ppm2 4.922 OR { 1229} (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) (( segid " " and resid "45 " and name "HA ")) OR { 1229} (( segid " " and resid "26 " and name "HG2 ")) (( segid " " and resid "45 " and name "HA ")) ASSI { 1269} (( segid " " and resid "25 " and name "HG1 ")) (( segid " " and resid "44 " and name "HB ")) 5.000 3.100 0.500 peak 1269 weight 0.10000E+01 volume -0.83300E+00 ppm1 2.182 ppm2 3.944 OR { 1269} (( segid " " and resid "25 " and name "HG2 ")) (( segid " " and resid "44 " and name "HB ")) OR { 1269} (( segid " " and resid "25 " and name "HG2 ")) (( segid " " and resid "49 " and name "HA2 ")) OR { 1269} (( segid " " and resid "25 " and name "HG1 ")) (( segid " " and resid "49 " and name "HA2 ")) ASSI { 1278} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "68 " and name "HA ")) 3.700 1.700 1.800 peak 1278 weight 0.10000E+01 volume 0.62449E+01 ppm1 2.132 ppm2 4.117 OR { 1278} (( segid " " and resid "21 " and name "HB1 ")) (( segid " " and resid "68 " and name "HA ")) OR { 1278} (( segid " " and resid "21 " and name "HB1 ")) (( segid " " and resid "66 " and name "HA ")) OR { 1278} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "66 " and name "HA ")) ASSI { 1283} (( segid " " and resid "21 " and name "HG2 ")) (( segid " " and resid "64 " and name "HA ")) 2.000 0.500 0.700 peak 1283 weight 0.10000E+01 volume 0.20891E+03 ppm1 1.934 ppm2 4.229 OR { 1283} (( segid " " and resid "21 " and name "HG1 ")) (( segid " " and resid "64 " and name "HA ")) OR { 1283} (( segid " " and resid "47 " and name "HB1 ")) (( segid " " and resid "47 " and name "HA ")) ASSI { 1284} (( segid " " and resid "47 " and name "HB1 ")) (( segid " " and resid "48 " and name "HA ")) 2.200 2.200 2.300 peak 1284 weight 0.10000E+01 volume 0.12680E+03 ppm1 1.924 ppm2 4.053 OR { 1284} (( segid " " and resid "50 " and name "HB1 ")) (( segid " " and resid "48 " and name "HA ")) OR { 1284} (( segid " " and resid "59 " and name "HB2 ")) (( segid " " and resid "58 " and name "HB2 ")) ASSI { 1305} (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) (( segid " " and resid "65 " and name "HA ")) 2.200 2.200 2.300 peak 1305 weight 0.10000E+01 volume 0.12294E+03 ppm1 1.395 ppm2 3.902 OR { 1305} (( segid " " and resid "24 " and name "HD11") OR ( segid " " and resid "24 " and name "HD13") OR ( segid " " and resid "24 " and name "HD12")) (( segid " " and resid "65 " and name "HA ")) OR { 1305} (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) (( segid " " and resid "61 " and name "HA ")) ASSI { 1317} (( segid " " and resid "68 " and name "HG11") OR ( segid " " and resid "68 " and name "HG13") OR ( segid " " and resid "68 " and name "HG12")) (( segid " " and resid "68 " and name "HA ")) 2.800 1.000 1.200 peak 1317 weight 0.10000E+01 volume 0.31172E+02 ppm1 0.964 ppm2 4.116 OR { 1317} (( segid " " and resid "12 " and name "HG21") OR ( segid " " and resid "12 " and name "HG23") OR ( segid " " and resid "12 " and name "HG22")) (( segid " " and resid "12 " and name "HA ")) ASSI { 1344} (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) (( segid " " and resid "20 " and name "HB1 ")) 3.700 1.700 1.800 peak 1344 weight 0.10000E+01 volume 0.61279E+01 ppm1 0.762 ppm2 2.930 OR { 1344} (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) (( segid " " and resid "20 " and name "HB1 ")) OR { 1344} (( segid " " and resid "19 " and name "HG21") OR ( segid " " and resid "19 " and name "HG23") OR ( segid " " and resid "19 " and name "HG22")) (( segid " " and resid "20 " and name "HB1 ")) ASSI { 1347} (( 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 "53 " and name "HB1 ")) 3.900 1.900 1.600 peak 1347 weight 0.10000E+01 volume 0.39971E+01 ppm1 0.762 ppm2 3.270 OR { 1347} (( 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 "11 " and name "HB1 ")) OR { 1347} (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) (( segid " " and resid "53 " and name "HB1 ")) ASSI { 1432} (( segid " " and resid "48 " and name "HA ")) (( segid " " and resid "47 " and name "HB1 ")) 2.500 2.500 2.000 peak 1432 weight 0.10000E+01 volume 0.66302E+02 ppm1 4.050 ppm2 1.934 OR { 1432} (( segid " " and resid "58 " and name "HB2 ")) (( segid " " and resid "59 " and name "HB2 ")) ASSI { 1502} (( segid " " and resid "17 " and name "HB1 ")) (( segid " " and resid "17 " and name "HB2 ")) 1.600 0.300 0.600 peak 1502 weight 0.10000E+01 volume 0.79232E+03 ppm1 1.872 ppm2 2.068 OR { 1502} (( segid " " and resid "39 " and name "HB ")) (( segid " " and resid "56 " and name "HG1 ")) ASSI { 1528} (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) (( segid " " and resid "21 " and name "HB2 ")) 2.200 0.600 0.800 peak 1528 weight 0.10000E+01 volume 0.11706E+03 ppm1 0.829 ppm2 2.131 OR { 1528} (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) (( segid " " and resid "56 " and name "HB2 ")) ASSI { 1531} (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) (( segid " " and resid "56 " and name "HG2 ")) 2.300 0.700 0.900 peak 1531 weight 0.10000E+01 volume 0.10596E+03 ppm1 0.764 ppm2 2.016 OR { 1531} (( segid " " and resid "65 " and name "HD11") OR ( segid " " and resid "65 " and name "HD13") OR ( segid " " and resid "65 " and name "HD12")) (( segid " " and resid "56 " and name "HG2 ")) ASSI { 1534} (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) (( segid " " and resid "68 " and name "HB ")) 5.500 3.800 0.000 peak 1534 weight 0.10000E+01 volume 0.20020E+00 ppm1 0.770 ppm2 2.242 OR { 1534} (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) (( segid " " and resid "68 " and name "HB ")) OR { 1534} (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) (( segid " " and resid "57 " and name "HB1 ")) ASSI { 1549} (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) (( segid " " and resid "41 " and name "HG12")) 1.900 0.500 0.700 peak 1549 weight 0.10000E+01 volume 0.36173E+03 ppm1 0.829 ppm2 1.051 OR { 1549} (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) (( segid " " and resid "39 " and name "HG21") OR ( segid " " and resid "39 " and name "HG23") OR ( segid " " and resid "39 " and name "HG22")) OR { 1549} (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) (( segid " " and resid "39 " and name "HG11") OR ( segid " " and resid "39 " and name "HG13") OR ( segid " " and resid "39 " and name "HG12")) ASSI { 1562} (( segid " " and resid "41 " and name "HG12")) (( segid " " and resid "54 " and name "HB2 ")) 1.800 1.800 2.700 peak 1562 weight 0.10000E+01 volume 0.43409E+03 ppm1 1.045 ppm2 1.446 OR { 1562} (( segid " " and resid "41 " and name "HG11")) (( segid " " and resid "54 " and name "HB2 ")) OR { 1562} (( segid " " and resid "39 " and name "HG21") OR ( segid " " and resid "39 " and name "HG23") OR ( segid " " and resid "39 " and name "HG22")) (( segid " " and resid "30 " and name "HG12")) OR { 1562} (( segid " " and resid "39 " and name "HG21") OR ( segid " " and resid "39 " and name "HG23") OR ( segid " " and resid "39 " and name "HG22")) (( segid " " and resid "54 " and name "HB2 ")) OR { 1562} (( segid " " and resid "41 " and name "HG12")) (( segid " " and resid "54 " and name "HB1 ")) OR { 1562} (( segid " " and resid "39 " and name "HG11") OR ( segid " " and resid "39 " and name "HG13") OR ( segid " " and resid "39 " and name "HG12")) (( segid " " and resid "54 " and name "HB2 ")) ASSI { 1667} (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) (( segid " " and resid "62 " and name "HA ")) 2.000 0.500 0.700 peak 1667 weight 0.10000E+01 volume 0.22334E+03 ppm1 0.762 ppm2 3.895 OR { 1667} (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) (( segid " " and resid "61 " and name "HA ")) OR { 1667} (( segid " " and resid "65 " and name "HD21") OR ( segid " " and resid "65 " and name "HD23") OR ( segid " " and resid "65 " and name "HD22")) (( segid " " and resid "65 " and name "HA ")) OR { 1667} (( segid " " and resid "65 " and name "HD11") OR ( segid " " and resid "65 " and name "HD13") OR ( segid " " and resid "65 " and name "HD12")) (( segid " " and resid "62 " and name "HA ")) ASSI { 1668} (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) (( segid " " and resid "15 " and name "HB1 ")) 3.200 1.300 1.500 peak 1668 weight 0.10000E+01 volume 0.13618E+02 ppm1 0.762 ppm2 3.851 OR { 1668} (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) (( segid " " and resid "15 " and name "HB1 ")) OR { 1668} (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) (( segid " " and resid "15 " and name "HB1 ")) ASSI { 1675} (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) (( segid " " and resid "54 " and name "HB2 ")) 1.800 1.800 2.700 peak 1675 weight 0.10000E+01 volume 0.40823E+03 ppm1 0.770 ppm2 1.444 OR { 1675} (( segid " " and resid "19 " and name "HG21") OR ( segid " " and resid "19 " and name "HG23") OR ( segid " " and resid "19 " and name "HG22")) (( segid " " and resid "47 " and name "HG1 ")) OR { 1675} (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) (( segid " " and resid "60 " and name "HB1 ") OR ( segid " " and resid "60 " and name "HB3 ") OR ( segid " " and resid "60 " and name "HB2 ")) OR { 1675} (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) (( segid " " and resid "54 " and name "HB2 ")) OR { 1675} (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) (( segid " " and resid "54 " and name "HB1 ")) OR { 1675} (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) (( segid " " and resid "54 " and name "HB1 ")) OR { 1675} (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) (( segid " " and resid "54 " and name "HB1 ")) OR { 1675} (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) (( segid " " and resid "54 " and name "HB2 ")) ASSI { 1676} (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) (( segid " " and resid "25 " and name "HB2 ")) 2.000 2.000 2.500 peak 1676 weight 0.10000E+01 volume 0.21832E+03 ppm1 0.763 ppm2 1.713 OR { 1676} (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) (( segid " " and resid "25 " and name "HB1 ")) OR { 1676} (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) (( segid " " and resid "14 " and name "HB ")) OR { 1676} (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) (( segid " " and resid "25 " and name "HB2 ")) OR { 1676} (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) (( segid " " and resid "25 " and name "HB1 ")) ASSI { 1717} (( segid " " and resid "25 " and name "HB2 ")) (( segid " " and resid "26 " and name "HG2 ")) 1.500 0.300 0.700 peak 1717 weight 0.10000E+01 volume 0.11930E+04 ppm1 1.686 ppm2 1.396 OR { 1717} (( segid " " and resid "24 " and name "HB2 ")) (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) OR { 1717} (( segid " " and resid "24 " and name "HB1 ")) (( segid " " and resid "24 " and name "HD11") OR ( segid " " and resid "24 " and name "HD13") OR ( segid " " and resid "24 " and name "HD12")) OR { 1717} (( segid " " and resid "24 " and name "HB1 ")) (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) ASSI { 1779} (( segid " " and resid "46 " and name "HA ")) (( segid " " and resid "26 " and name "HG2 ")) 3.800 1.800 1.700 peak 1779 weight 0.10000E+01 volume 0.51679E+01 ppm1 4.021 ppm2 1.392 OR { 1779} (( segid " " and resid "46 " and name "HA ")) (( segid " " and resid "24 " and name "HD11") OR ( segid " " and resid "24 " and name "HD13") OR ( segid " " and resid "24 " and name "HD12")) OR { 1779} (( segid " " and resid "46 " and name "HA ")) (( segid " " and resid "24 " and name "HD21") OR ( segid " " and resid "24 " and name "HD23") OR ( segid " " and resid "24 " and name "HD22")) ASSI { 1800} (( segid " " and resid "20 " and name "HD22")) (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) 5.500 3.800 0.000 peak 1800 weight 0.10000E+01 volume 0.43770E+00 ppm1 6.955 ppm2 0.763 OR { 1800} (( segid " " and resid "20 " and name "HD22")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) ASSI { 1820} (( segid " " and resid "56 " and name "HD2 ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) 2.600 0.800 1.000 peak 1820 weight 0.10000E+01 volume 0.46472E+02 ppm1 3.965 ppm2 0.763 OR { 1820} (( segid " " and resid "56 " and name "HD1 ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) OR { 1820} (( segid " " and resid "56 " and name "HD2 ")) (( segid " " and resid "65 " and name "HD11") OR ( segid " " and resid "65 " and name "HD13") OR ( segid " " and resid "65 " and name "HD12")) OR { 1820} (( segid " " and resid "56 " and name "HD1 ")) (( segid " " and resid "65 " and name "HD11") OR ( segid " " and resid "65 " and name "HD13") OR ( segid " " and resid "65 " and name "HD12")) OR { 1820} (( segid " " and resid "56 " and name "HD2 ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) OR { 1820} (( segid " " and resid "56 " and name "HD1 ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) ASSI { 1842} (( segid " " and resid "61 " and name "HB ")) (( segid " " and resid "60 " and name "HB1 ") OR ( segid " " and resid "60 " and name "HB3 ") OR ( segid " " and resid "60 " and name "HB2 ")) 4.000 2.000 1.500 peak 1842 weight 0.10000E+01 volume 0.36331E+01 ppm1 2.413 ppm2 1.436 OR { 1842} (( segid " " and resid "45 " and name "HB1 ")) (( segid " " and resid "47 " and name "HG1 ")) ASSI { 1846} (( segid " " and resid "56 " and name "HB2 ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) 2.200 0.600 0.800 peak 1846 weight 0.10000E+01 volume 0.12090E+03 ppm1 2.131 ppm2 0.761 OR { 1846} (( segid " " and resid "56 " and name "HB1 ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) OR { 1846} (( segid " " and resid "56 " and name "HB1 ")) (( segid " " and resid "65 " and name "HD11") OR ( segid " " and resid "65 " and name "HD13") OR ( segid " " and resid "65 " and name "HD12")) ASSI { 1855} (( segid " " and resid "19 " and name "HB ")) (( segid " " and resid "19 " and name "HG21") OR ( segid " " and resid "19 " and name "HG23") OR ( segid " " and resid "19 " and name "HG22")) 2.100 0.600 0.800 peak 1855 weight 0.10000E+01 volume 0.19031E+03 ppm1 1.878 ppm2 0.763 OR { 1855} (( segid " " and resid "19 " and name "HB ")) (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) OR { 1855} (( segid " " and resid "27 " and name "HB2 ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) ASSI { 1866} (( segid " " and resid "34 " and name "HG1 ")) (( segid " " and resid "7 " and name "HG11") OR ( segid " " and resid "7 " and name "HG13") OR ( segid " " and resid "7 " and name "HG12")) 3.300 1.400 1.600 peak 1866 weight 0.10000E+01 volume 0.10721E+02 ppm1 1.694 ppm2 0.953 OR { 1866} (( segid " " and resid "8 " and name "HG2 ")) (( segid " " and resid "7 " and name "HG11") OR ( segid " " and resid "7 " and name "HG13") OR ( segid " " and resid "7 " and name "HG12")) OR { 1866} (( segid " " and resid "34 " and name "HG2 ")) (( segid " " and resid "7 " and name "HG11") OR ( segid " " and resid "7 " and name "HG13") OR ( segid " " and resid "7 " and name "HG12")) ASSI { 1905} (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) (( segid " " and resid "65 " and name "HA ")) 2.600 0.800 1.000 peak 1905 weight 0.10000E+01 volume 0.46100E+02 ppm1 0.836 ppm2 3.897 OR { 1905} (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) (( segid " " and resid "61 " and name "HA ")) ASSI { 1907} (( segid " " and resid "52 " and name "HB2 ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) 1.900 1.900 2.600 peak 1907 weight 0.10000E+01 volume 0.35829E+03 ppm1 1.717 ppm2 0.761 OR { 1907} (( segid " " and resid "52 " and name "HB2 ")) (( segid " " and resid "42 " and name "HG21") OR ( segid " " and resid "42 " and name "HG23") OR ( segid " " and resid "42 " and name "HG22")) OR { 1907} (( segid " " and resid "14 " and name "HB ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) OR { 1907} (( segid " " and resid "52 " and name "HB2 ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) OR { 1907} (( segid " " and resid "52 " and name "HB2 ")) (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) ASSI { 1936} (( segid " " and resid "30 " and name "HG12")) (( segid " " and resid "41 " and name "HN ")) 5.000 3.100 0.500 peak 1936 weight 0.10000E+01 volume -0.47000E+00 ppm1 1.451 ppm2 9.300 OR { 1936} (( segid " " and resid "54 " and name "HB2 ")) (( segid " " and resid "41 " and name "HN ")) ASSI { 1983} (( segid " " and resid "62 " and name "HA ")) (( segid " " and resid "62 " and name "HN ")) 4.300 2.300 1.200 peak 1983 weight 0.10000E+01 volume 0.24981E+01 ppm1 3.910 ppm2 8.304 OR { 1983} (( segid " " and resid "65 " and name "HA ")) (( segid " " and resid "65 " and name "HN ")) ASSI { 2067} (( segid " " and resid "40 " and name "HB2 ")) (( segid " " and resid "40 " and name "HN ")) 5.000 3.100 0.500 peak 2067 weight 0.10000E+01 volume -0.74100E+00 ppm1 1.890 ppm2 8.410 OR { 2067} (( segid " " and resid "39 " and name "HB ")) (( segid " " and resid "40 " and name "HN ")) ASSI { 2072} (( segid " " and resid "59 " and name "HB1 ")) (( segid " " and resid "62 " and name "HN ")) 4.400 2.400 1.100 peak 2072 weight 0.10000E+01 volume 0.21152E+01 ppm1 1.901 ppm2 8.306 OR { 2072} (( segid " " and resid "41 " and name "HB ")) (( segid " " and resid "65 " and name "HN ")) ASSI { 2093} (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) (( segid " " and resid "62 " and name "HN ")) 3.900 1.900 1.600 peak 2093 weight 0.10000E+01 volume 0.43336E+01 ppm1 0.762 ppm2 8.306 OR { 2093} (( segid " " and resid "65 " and name "HD11") OR ( segid " " and resid "65 " and name "HD13") OR ( segid " " and resid "65 " and name "HD12")) (( segid " " and resid "65 " and name "HN ")) ASSI { 2125} (( segid " " and resid "61 " and name "HG11")) (( segid " " and resid "61 " and name "HN ")) 3.700 1.700 1.800 peak 2125 weight 0.10000E+01 volume 0.60634E+01 ppm1 1.631 ppm2 7.296 OR { 2125} (( segid " " and resid "61 " and name "HG11")) (( segid " " and resid "58 " and name "HN ")) ASSI { 2206} (( segid " " and resid "61 " and name "HA ")) (( segid " " and resid "64 " and name "HN ")) 4.300 2.300 1.200 peak 2206 weight 0.10000E+01 volume 0.24924E+01 ppm1 3.898 ppm2 7.749 OR { 2206} (( segid " " and resid "62 " and name "HA ")) (( segid " " and resid "64 " and name "HN ")) ASSI { 2222} (( segid " " and resid "64 " and name "HA ")) (( segid " " and resid "67 " and name "HN ")) 5.000 3.100 0.500 peak 2222 weight 0.10000E+01 volume -0.24300E+00 ppm1 4.224 ppm2 7.797 OR { 2222} (( segid " " and resid "14 " and name "HA ")) (( segid " " and resid "13 " and name "HN ")) ASSI { 2258} (( segid " " and resid "20 " and name "HB2 ")) (( segid " " and resid "20 " and name "HD22")) 5.500 3.800 0.000 peak 2258 weight 0.10000E+01 volume 0.57100E-01 ppm1 2.802 ppm2 6.962 OR { 2258} (( segid " " and resid "16 " and name "HB1 ")) (( segid " " and resid "20 " and name "HD22")) ASSI { 2275} (( segid " " and resid "41 " and name "HB ")) (( segid " " and resid "53 " and name "HA ")) 5.000 3.100 0.500 peak 2275 weight 0.10000E+01 volume -0.27500E+00 ppm1 1.896 ppm2 5.800 OR { 2275} (( segid " " and resid "40 " and name "HB2 ")) (( segid " " and resid "53 " and name "HA ")) ASSI { 2288} (( segid " " and resid "59 " and name "HA ")) (( segid " " and resid "58 " and name "HA ")) 4.700 2.800 0.800 peak 2288 weight 0.10000E+01 volume 0.12993E+01 ppm1 3.909 ppm2 4.500 OR { 2288} (( segid " " and resid "62 " and name "HA ")) (( segid " " and resid "63 " and name "HA ")) ASSI { 2321} (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) (( segid " " and resid "29 " and name "HA ")) 2.700 0.900 1.100 peak 2321 weight 0.10000E+01 volume 0.41623E+02 ppm1 0.829 ppm2 4.682 OR { 2321} (( segid " " and resid "64 " and name "HD21") OR ( segid " " and resid "64 " and name "HD23") OR ( segid " " and resid "64 " and name "HD22")) (( segid " " and resid "55 " and name "HA ")) ASSI { 2384} (( segid " " and resid "56 " and name "HD1 ")) (( segid " " and resid "39 " and name "HB ")) 2.600 0.800 1.000 peak 2384 weight 0.10000E+01 volume 0.47072E+02 ppm1 3.951 ppm2 1.887 OR { 2384} (( segid " " and resid "56 " and name "HD2 ")) (( segid " " and resid "39 " and name "HB ")) OR { 2384} (( segid " " and resid "44 " and name "HB ")) (( segid " " and resid "26 " and name "HB2 ")) ASSI { 2400} (( segid " " and resid "15 " and name "HB1 ")) (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) 2.900 1.100 1.300 peak 2400 weight 0.10000E+01 volume 0.25022E+02 ppm1 3.842 ppm2 0.763 OR { 2400} (( segid " " and resid "18 " and name "HD1 ")) (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) OR { 2400} (( segid " " and resid "18 " and name "HD1 ")) (( segid " " and resid "19 " and name "HG21") OR ( segid " " and resid "19 " and name "HG23") OR ( segid " " and resid "19 " and name "HG22")) OR { 2400} (( segid " " and resid "15 " and name "HB1 ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) OR { 2400} (( segid " " and resid "15 " and name "HB1 ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) ASSI { 2405} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "68 " and name "HG11") OR ( segid " " and resid "68 " and name "HG13") OR ( segid " " and resid "68 " and name "HG12")) 3.300 1.400 1.600 peak 2405 weight 0.10000E+01 volume 0.10906E+02 ppm1 2.133 ppm2 0.959 OR { 2405} (( segid " " and resid "37 " and name "HB1 ")) (( segid " " and resid "7 " and name "HG11") OR ( segid " " and resid "7 " and name "HG13") OR ( segid " " and resid "7 " and name "HG12")) OR { 2405} (( segid " " and resid "37 " and name "HB2 ")) (( segid " " and resid "7 " and name "HG11") OR ( segid " " and resid "7 " and name "HG13") OR ( segid " " and resid "7 " and name "HG12")) OR { 2405} (( segid " " and resid "21 " and name "HB1 ")) (( segid " " and resid "68 " and name "HG11") OR ( segid " " and resid "68 " and name "HG13") OR ( segid " " and resid "68 " and name "HG12")) OR { 2405} (( segid " " and resid "30 " and name "HB ")) (( segid " " and resid "29 " and name "HG12")) ASSI { 42} (( segid " " and resid "43 " and name "HA ")) (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) 2.400 0.700 0.900 peak 42 weight 0.10000E+01 volume 0.11035E+03 ppm1 5.027 ppm2 1.299 OR { 42} (( segid " " and resid "43 " and name "HA ")) (( segid " " and resid "27 " and name "HG ")) ASSI { 51} (( segid " " and resid "16 " and name "HA ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) 3.400 1.400 1.600 peak 51 weight 0.10000E+01 volume 0.15383E+02 ppm1 4.971 ppm2 0.764 OR { 51} (( segid " " and resid "16 " and name "HA ")) (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) ASSI { 138} (( segid " " and resid "44 " and name "HA ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) 4.700 2.800 0.800 peak 138 weight 0.10000E+01 volume 0.22785E+01 ppm1 4.823 ppm2 0.748 OR { 138} (( segid " " and resid "44 " and name "HA ")) (( segid " " and resid "42 " and name "HG21") OR ( segid " " and resid "42 " and name "HG23") OR ( segid " " and resid "42 " and name "HG22")) ASSI { 142} (( segid " " and resid "29 " and name "HA ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) 2.000 2.000 2.500 peak 142 weight 0.10000E+01 volume 0.33793E+03 ppm1 4.675 ppm2 0.766 OR { 142} (( segid " " and resid "55 " and name "HA ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) OR { 142} (( segid " " and resid "29 " and name "HA ")) (( segid " " and resid "65 " and name "HD21") OR ( segid " " and resid "65 " and name "HD23") OR ( segid " " and resid "65 " and name "HD22")) OR { 142} (( segid " " and resid "29 " and name "HA ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) OR { 142} (( segid " " and resid "55 " and name "HA ")) (( segid " " and resid "65 " and name "HD11") OR ( segid " " and resid "65 " and name "HD13") OR ( segid " " and resid "65 " and name "HD12")) ASSI { 176} (( segid " " and resid "64 " and name "HA ")) (( segid " " and resid "65 " and name "HA ")) 2.700 2.700 1.800 peak 176 weight 0.10000E+01 volume 0.62666E+02 ppm1 4.233 ppm2 3.903 OR { 176} (( segid " " and resid "64 " and name "HA ")) (( segid " " and resid "61 " and name "HA ")) ASSI { 226} (( segid " " and resid "63 " and name "HA ")) (( segid " " and resid "60 " and name "HB1 ") OR ( segid " " and resid "60 " and name "HB3 ") OR ( segid " " and resid "60 " and name "HB2 ")) 4.000 2.000 1.500 peak 226 weight 0.10000E+01 volume 0.55254E+01 ppm1 4.504 ppm2 1.441 OR { 226} (( segid " " and resid "58 " and name "HA ")) (( segid " " and resid "60 " and name "HB1 ") OR ( segid " " and resid "60 " and name "HB3 ") OR ( segid " " and resid "60 " and name "HB2 ")) ASSI { 230} (( segid " " and resid "24 " and name "HA ")) (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) 3.300 1.400 1.600 peak 230 weight 0.10000E+01 volume 0.18581E+02 ppm1 4.434 ppm2 1.299 OR { 230} (( segid " " and resid "24 " and name "HA ")) (( segid " " and resid "27 " and name "HG ")) ASSI { 286} (( segid " " and resid "57 " and name "HA ")) (( segid " " and resid "39 " and name "HG11") OR ( segid " " and resid "39 " and name "HG13") OR ( segid " " and resid "39 " and name "HG12")) 4.100 2.100 1.400 peak 286 weight 0.10000E+01 volume 0.46933E+01 ppm1 4.273 ppm2 1.052 OR { 286} (( segid " " and resid "32 " and name "HA ")) (( segid " " and resid "39 " and name "HG21") OR ( segid " " and resid "39 " and name "HG23") OR ( segid " " and resid "39 " and name "HG22")) OR { 286} (( segid " " and resid "32 " and name "HA ")) (( segid " " and resid "39 " and name "HG11") OR ( segid " " and resid "39 " and name "HG13") OR ( segid " " and resid "39 " and name "HG12")) OR { 286} (( segid " " and resid "57 " and name "HA ")) (( segid " " and resid "39 " and name "HG21") OR ( segid " " and resid "39 " and name "HG23") OR ( segid " " and resid "39 " and name "HG22")) ASSI { 331} (( segid " " and resid "15 " and name "HB2 ")) (( segid " " and resid "14 " and name "HA ")) 3.800 1.800 1.700 peak 331 weight 0.10000E+01 volume 0.81926E+01 ppm1 3.997 ppm2 4.242 OR { 331} (( segid " " and resid "23 " and name "HB1 ")) (( segid " " and resid "19 " and name "HA ")) OR { 331} (( segid " " and resid "23 " and name "HB1 ")) (( segid " " and resid "47 " and name "HA ")) OR { 331} (( segid " " and resid "23 " and name "HB2 ")) (( segid " " and resid "47 " and name "HA ")) ASSI { 334} (( segid " " and resid "66 " and name "HA ")) (( segid " " and resid "65 " and name "HA ")) 2.800 2.800 1.700 peak 334 weight 0.10000E+01 volume 0.49520E+02 ppm1 4.122 ppm2 3.910 OR { 334} (( segid " " and resid "68 " and name "HA ")) (( segid " " and resid "65 " and name "HA ")) ASSI { 387} (( segid " " and resid "31 " and name "HD1 ")) (( segid " " and resid "30 " and name "HG12")) 3.200 1.300 1.500 peak 387 weight 0.10000E+01 volume 0.21690E+02 ppm1 4.050 ppm2 1.443 OR { 387} (( segid " " and resid "48 " and name "HA ")) (( segid " " and resid "47 " and name "HG1 ")) OR { 387} (( segid " " and resid "58 " and name "HB2 ")) (( segid " " and resid "60 " and name "HB1 ") OR ( segid " " and resid "60 " and name "HB3 ") OR ( segid " " and resid "60 " and name "HB2 ")) ASSI { 399} (( segid " " and resid "21 " and name "HD2 ")) (( segid " " and resid "21 " and name "HG2 ")) 2.700 0.900 1.100 peak 399 weight 0.10000E+01 volume 0.56483E+02 ppm1 3.992 ppm2 1.942 OR { 399} (( segid " " and resid "21 " and name "HD2 ")) (( segid " " and resid "21 " and name "HG1 ")) OR { 399} (( segid " " and resid "23 " and name "HB1 ")) (( segid " " and resid "47 " and name "HB1 ")) ASSI { 400} (( segid " " and resid "44 " and name "HB ")) (( segid " " and resid "26 " and name "HB2 ")) 3.000 1.100 1.300 peak 400 weight 0.10000E+01 volume 0.32410E+02 ppm1 3.958 ppm2 1.896 OR { 400} (( segid " " and resid "56 " and name "HD1 ")) (( segid " " and resid "41 " and name "HB ")) ASSI { 417} (( segid " " and resid "65 " and name "HA ")) (( segid " " and resid "56 " and name "HG1 ")) 2.700 2.700 1.800 peak 417 weight 0.10000E+01 volume 0.67410E+02 ppm1 3.891 ppm2 2.080 OR { 417} (( segid " " and resid "62 " and name "HA ")) (( segid " " and resid "56 " and name "HG1 ")) ASSI { 597} (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) (( segid " " and resid "25 " and name "HB2 ")) 3.200 1.300 1.500 peak 597 weight 0.10000E+01 volume 0.21823E+02 ppm1 3.141 ppm2 1.690 OR { 597} (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) (( segid " " and resid "25 " and name "HB1 ")) OR { 597} (( segid " " and resid "27 " and name "HM1 ") OR ( segid " " and resid "27 " and name "HM3 ") OR ( segid " " and resid "27 " and name "HM2 ")) (( segid " " and resid "24 " and name "HB1 ")) ASSI { 730} (( segid " " and resid "28 " and name "HG2 ")) (( segid " " and resid "29 " and name "HA ")) 3.100 1.200 1.400 peak 730 weight 0.10000E+01 volume 0.25602E+02 ppm1 2.150 ppm2 4.681 OR { 730} (( segid " " and resid "28 " and name "HG2 ")) (( segid " " and resid "30 " and name "HA ")) ASSI { 735} (( segid " " and resid "7 " and name "HB ")) (( segid " " and resid "35 " and name "HA ")) 3.400 1.400 1.600 peak 735 weight 0.10000E+01 volume 0.15081E+02 ppm1 2.079 ppm2 4.679 OR { 735} (( segid " " and resid "56 " and name "HG1 ")) (( segid " " and resid "55 " and name "HA ")) OR { 735} (( segid " " and resid "7 " and name "HB ")) (( segid " " and resid "8 " and name "HA ")) ASSI { 736} (( segid " " and resid "21 " and name "HG1 ")) (( segid " " and resid "20 " and name "HA ")) 3.800 1.800 1.700 peak 736 weight 0.10000E+01 volume 0.82468E+01 ppm1 1.919 ppm2 4.920 OR { 736} (( segid " " and resid "21 " and name "HG2 ")) (( segid " " and resid "20 " and name "HA ")) OR { 736} (( segid " " and resid "50 " and name "HB2 ")) (( segid " " and resid "45 " and name "HA ")) ASSI { 877} (( segid " " and resid "21 " and name "HB2 ")) (( segid " " and resid "27 " and name "HB1 ")) 3.900 1.900 1.600 peak 877 weight 0.10000E+01 volume 0.72882E+01 ppm1 2.143 ppm2 1.231 OR { 877} (( segid " " and resid "28 " and name "HG2 ")) (( segid " " and resid "27 " and name "HB1 ")) ASSI { 882} (( segid " " and resid "56 " and name "HG1 ")) (( segid " " and resid "65 " and name "HD11") OR ( segid " " and resid "65 " and name "HD13") OR ( segid " " and resid "65 " and name "HD12")) 2.400 0.700 0.900 peak 882 weight 0.10000E+01 volume 0.13846E+03 ppm1 2.080 ppm2 0.769 OR { 882} (( segid " " and resid "56 " and name "HG1 ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) OR { 882} (( segid " " and resid "17 " and name "HB2 ")) (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) ASSI { 892} (( segid " " and resid "50 " and name "HB2 ")) (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) 1.800 1.800 2.700 peak 892 weight 0.10000E+01 volume 0.70736E+03 ppm1 1.915 ppm2 0.772 OR { 892} (( segid " " and resid "50 " and name "HB1 ")) (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) OR { 892} (( segid " " and resid "59 " and name "HB2 ")) (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) OR { 892} (( segid " " and resid "50 " and name "HB1 ")) (( segid " " and resid "19 " and name "HG21") OR ( segid " " and resid "19 " and name "HG23") OR ( segid " " and resid "19 " and name "HG22")) OR { 892} (( segid " " and resid "50 " and name "HB2 ")) (( segid " " and resid "19 " and name "HG21") OR ( segid " " and resid "19 " and name "HG23") OR ( segid " " and resid "19 " and name "HG22")) ASSI { 1059} (( segid " " and resid "30 " and name "HG12")) (( segid " " and resid "39 " and name "HG21") OR ( segid " " and resid "39 " and name "HG23") OR ( segid " " and resid "39 " and name "HG22")) 1.800 1.800 2.700 peak 1059 weight 0.10000E+01 volume 0.74237E+03 ppm1 1.461 ppm2 1.049 OR { 1059} (( segid " " and resid "30 " and name "HG12")) (( segid " " and resid "41 " and name "HG11")) OR { 1059} (( segid " " and resid "30 " and name "HG12")) (( segid " " and resid "39 " and name "HG11") OR ( segid " " and resid "39 " and name "HG13") OR ( segid " " and resid "39 " and name "HG12")) ASSI { 1063} (( segid " " and resid "30 " and name "HG12")) (( segid " " and resid "29 " and name "HD11") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD12")) 1.900 1.900 2.600 peak 1063 weight 0.10000E+01 volume 0.46319E+03 ppm1 1.461 ppm2 0.734 OR { 1063} (( segid " " and resid "30 " and name "HG12")) (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) ASSI { 1071} (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) (( segid " " and resid "36 " and name "HA ")) 4.400 2.400 1.100 peak 1071 weight 0.10000E+01 volume 0.30861E+01 ppm1 1.171 ppm2 5.142 OR { 1071} (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) (( segid " " and resid "26 " and name "HA ")) ASSI { 1112} (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "21 " and name "HG1 ")) 2.400 2.400 2.100 peak 1112 weight 0.10000E+01 volume 0.12269E+03 ppm1 1.303 ppm2 1.937 OR { 1112} (( segid " " and resid "27 " and name "HG ")) (( segid " " and resid "21 " and name "HG1 ")) OR { 1112} (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "21 " and name "HG2 ")) ASSI { 1137} (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) 1.800 0.400 0.600 peak 1137 weight 0.10000E+01 volume 0.70341E+03 ppm1 1.303 ppm2 0.773 OR { 1137} (( segid " " and resid "27 " and name "HG ")) (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) OR { 1137} (( segid " " and resid "27 " and name "HG ")) (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) ASSI { 1168} (( segid " " and resid "7 " and name "HG11") OR ( segid " " and resid "7 " and name "HG13") OR ( segid " " and resid "7 " and name "HG12")) (( segid " " and resid "35 " and name "HA ")) 2.700 0.900 1.100 peak 1168 weight 0.10000E+01 volume 0.61764E+02 ppm1 0.956 ppm2 4.682 OR { 1168} (( segid " " and resid "29 " and name "HG12")) (( segid " " and resid "29 " and name "HA ")) OR { 1168} (( segid " " and resid "29 " and name "HG11")) (( segid " " and resid "29 " and name "HA ")) ASSI { 1275} (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) 2.900 1.100 1.300 peak 1275 weight 0.10000E+01 volume 0.42949E+02 ppm1 0.844 ppm2 1.300 OR { 1275} (( segid " " and resid "64 " and name "HD11") OR ( segid " " and resid "64 " and name "HD13") OR ( segid " " and resid "64 " and name "HD12")) (( segid " " and resid "27 " and name "HG ")) ASSI { 1291} (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) (( segid " " and resid "50 " and name "HB2 ")) 2.000 2.000 2.500 peak 1291 weight 0.10000E+01 volume 0.39526E+03 ppm1 0.771 ppm2 1.908 OR { 1291} (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) (( segid " " and resid "50 " and name "HB1 ")) OR { 1291} (( segid " " and resid "19 " and name "HG21") OR ( segid " " and resid "19 " and name "HG23") OR ( segid " " and resid "19 " and name "HG22")) (( segid " " and resid "18 " and name "HG2 ")) OR { 1291} (( segid " " and resid "61 " and name "HG21") OR ( segid " " and resid "61 " and name "HG23") OR ( segid " " and resid "61 " and name "HG22")) (( segid " " and resid "59 " and name "HB2 ")) OR { 1291} (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) (( segid " " and resid "18 " and name "HG2 ")) OR { 1291} (( segid " " and resid "19 " and name "HG21") OR ( segid " " and resid "19 " and name "HG23") OR ( segid " " and resid "19 " and name "HG22")) (( segid " " and resid "50 " and name "HB1 ")) OR { 1291} (( segid " " and resid "19 " and name "HG21") OR ( segid " " and resid "19 " and name "HG23") OR ( segid " " and resid "19 " and name "HG22")) (( segid " " and resid "50 " and name "HB2 ")) ASSI { 1297} (( segid " " and resid "19 " and name "HG21") OR ( segid " " and resid "19 " and name "HG23") OR ( segid " " and resid "19 " and name "HG22")) (( segid " " and resid "47 " and name "HG1 ")) 1.900 1.900 2.600 peak 1297 weight 0.10000E+01 volume 0.54719E+03 ppm1 0.769 ppm2 1.459 OR { 1297} (( segid " " and resid "19 " and name "HG21") OR ( segid " " and resid "19 " and name "HG23") OR ( segid " " and resid "19 " and name "HG22")) (( segid " " and resid "48 " and name "HG1 ")) OR { 1297} (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) (( segid " " and resid "47 " and name "HG1 ")) OR { 1297} (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) (( segid " " and resid "30 " and name "HG12")) ASSI { 1304} (( segid " " and resid "29 " and name "HD11") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD12")) (( segid " " and resid "30 " and name "HG21") OR ( segid " " and resid "30 " and name "HG23") OR ( segid " " and resid "30 " and name "HG22")) 4.900 3.000 0.600 peak 1304 weight 0.10000E+01 volume 0.17719E+01 ppm1 0.727 ppm2 1.091 OR { 1304} (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) (( segid " " and resid "42 " and name "HG11")) ASSI { 1305} (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) 4.100 2.100 1.400 peak 1305 weight 0.10000E+01 volume 0.47326E+01 ppm1 0.725 ppm2 1.171 OR { 1305} (( segid " " and resid "29 " and name "HD11") OR ( segid " " and resid "29 " and name "HD13") OR ( segid " " and resid "29 " and name "HD12")) (( segid " " and resid "32 " and name "HB1 ") OR ( segid " " and resid "32 " and name "HB3 ") OR ( segid " " and resid "32 " and name "HB2 ")) OR { 1305} (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) (( segid " " and resid "44 " and name "HG21") OR ( segid " " and resid "44 " and name "HG23") OR ( segid " " and resid "44 " and name "HG22")) ASSI { 1366} (( segid " " and resid "60 " and name "HB1 ") OR ( segid " " and resid "60 " and name "HB3 ") OR ( segid " " and resid "60 " and name "HB2 ")) (( segid " " and resid "61 " and name "HA ")) 3.400 1.400 1.600 peak 1366 weight 0.10000E+01 volume 0.15013E+02 ppm1 1.447 ppm2 3.900 OR { 1366} (( segid " " and resid "60 " and name "HB1 ") OR ( segid " " and resid "60 " and name "HB3 ") OR ( segid " " and resid "60 " and name "HB2 ")) (( segid " " and resid "59 " and name "HA ")) ASSI { 1368} (( segid " " and resid "41 " and name "HG21") OR ( segid " " and resid "41 " and name "HG23") OR ( segid " " and resid "41 " and name "HG22")) (( segid " " and resid "54 " and name "HG ")) 3.000 3.000 1.500 peak 1368 weight 0.10000E+01 volume 0.32698E+02 ppm1 0.706 ppm2 1.640 OR { 1368} (( segid " " and resid "61 " and name "HD11") OR ( segid " " and resid "61 " and name "HD13") OR ( segid " " and resid "61 " and name "HD12")) (( segid " " and resid "61 " and name "HG11")) ASSI { 1395} (( segid " " and resid "27 " and name "HD11") OR ( segid " " and resid "27 " and name "HD13") OR ( segid " " and resid "27 " and name "HD12")) (( segid " " and resid "45 " and name "HA ")) 3.400 1.400 1.600 peak 1395 weight 0.10000E+01 volume 0.16781E+02 ppm1 0.768 ppm2 4.916 OR { 1395} (( segid " " and resid "19 " and name "HG11") OR ( segid " " and resid "19 " and name "HG13") OR ( segid " " and resid "19 " and name "HG12")) (( segid " " and resid "20 " and name "HA ")) OR { 1395} (( segid " " and resid "27 " and name "HD21") OR ( segid " " and resid "27 " and name "HD23") OR ( segid " " and resid "27 " and name "HD22")) (( segid " " and resid "45 " and name "HA ")) ASSI { 1440} (( segid " " and resid "45 " and name "HG2 ")) (( segid " " and resid "47 " and name "HB1 ")) 3.100 1.200 1.400 peak 1440 weight 0.10000E+01 volume 0.28647E+02 ppm1 2.514 ppm2 1.943 OR { 1440} (( segid " " and resid "45 " and name "HG2 ")) (( segid " " and resid "21 " and name "HG1 ")) OR { 1440} (( segid " " and resid "45 " and name "HG1 ")) (( segid " " and resid "47 " and name "HB1 ")) OR { 1440} (( segid " " and resid "45 " and name "HG1 ")) (( segid " " and resid "21 " and name "HG1 ")) ASSI { 1464} (( segid " " and resid "27 " and name "HG ")) (( segid " " and resid "29 " and name "HG21") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG22")) 2.500 2.500 2.000 peak 1464 weight 0.10000E+01 volume 0.87280E+02 ppm1 1.304 ppm2 0.849 OR { 1464} (( segid " " and resid "43 " and name "HB1 ") OR ( segid " " and resid "43 " and name "HB3 ") OR ( segid " " and resid "43 " and name "HB2 ")) (( segid " " and resid "29 " and name "HG21") OR ( segid " " and resid "29 " and name "HG23") OR ( segid " " and resid "29 " and name "HG22"))
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