NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
8692 |
1mph   |
cing | 1-original | 3 | XPLOR/CNS | distance | NOE | ambi |
ASSI
(( segid " " and resid "3 " and name "HN "))
(( segid " " and resid "29 " and name "HA "))
3.500 1.700 1.400 peak 15 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "2 " and name "HN "))
(( segid " " and resid "29 " and name "HA "))
ASSI
(( segid " " and resid "37 " and name "HA "))
(( segid " " and resid "26 " and name "HG11")
OR
( segid " " and resid "26 " and name "HG13")
OR
( segid " " and resid "26 " and name "HG12"))
4.500 2.700 2.000 peak 21 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "4 " and name "HA "))
(( segid " " and resid "26 " and name "HG11")
OR
( segid " " and resid "26 " and name "HG13")
OR
( segid " " and resid "26 " and name "HG12"))
ASSI
(( segid " " and resid "5 " and name "HB1 "))
(( segid " " and resid "37 " and name "HE1 ")
OR
( segid " " and resid "37 " and name "HE2 "))
4.000 2.200 1.700 peak 46 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "35 " and name "HB1 ")
OR
( segid " " and resid "35 " and name "HB2 "))
(( segid " " and resid "37 " and name "HE1 ")
OR
( segid " " and resid "37 " and name "HE2 "))
ASSI
(( segid " " and resid "5 " and name "HB1 "))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
5.000 3.200 2.300 peak 63 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "5 " and name "HB1 "))
(( segid " " and resid "99 " and name "HH2 "))
OR
(( segid " " and resid "35 " and name "HB1 ")
OR
( segid " " and resid "35 " and name "HB2 "))
(( segid " " and resid "99 " and name "HH2 "))
ASSI
(( segid " " and resid "5 " and name "HB2 "))
(( segid " " and resid "99 " and name "HZ3 "))
5.000 3.200 2.300 peak 68 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "58 " and name "HB2 "))
(( segid " " and resid "99 " and name "HZ3 "))
ASSI
(( segid " " and resid "5 " and name "HG "))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
4.000 2.200 1.700 peak 78 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "5 " and name "HG "))
(( segid " " and resid "99 " and name "HH2 "))
ASSI
(( segid " " and resid "87 " and name "HA "))
(( segid " " and resid "23 " and name "HH2 "))
4.000 2.200 1.700 peak 93 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "7 " and name "HA "))
(( segid " " and resid "23 " and name "HH2 "))
ASSI
(( segid " " and resid "11 " and name "HH2 "))
(( segid " " and resid "85 " and name "HB2 "))
4.500 2.700 2.000 peak 139 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "37 " and name "HE1 ")
OR
( segid " " and resid "37 " and name "HE2 "))
(( segid " " and resid "80 " and name "HB2 "))
ASSI
(( segid " " and resid "16 " and name "HB1 "))
(( segid " " and resid "17 " and name "HN "))
3.500 1.700 1.400 peak 152 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "16 " and name "HB2 "))
(( segid " " and resid "17 " and name "HN "))
ASSI
(( segid " " and resid "23 " and name "HZ2 "))
(( segid " " and resid "87 " and name "HB1 "))
4.500 2.700 2.000 peak 174 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "23 " and name "HZ2 "))
(( segid " " and resid "87 " and name "HB2 "))
ASSI
(( segid " " and resid "55 " and name "HG2 "))
(( segid " " and resid "56 " and name "HN "))
2.500 0.700 5.500 peak 201 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "27 " and name "HB2 "))
(( segid " " and resid "28 " and name "HN "))
ASSI
(( segid " " and resid "28 " and name "HA "))
(( segid " " and resid "88 " and name "HE1 ")
OR
( segid " " and resid "88 " and name "HE2 "))
4.500 2.700 2.000 peak 220 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "28 " and name "HA "))
(( segid " " and resid "37 " and name "HZ "))
ASSI
(( segid " " and resid "34 " and name "HB2 "))
(( segid " " and resid "35 " and name "HN "))
3.500 1.700 1.400 peak 233 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "34 " and name "HB1 "))
(( segid " " and resid "35 " and name "HN "))
ASSI
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
(( segid " " and resid "43 " and name "HB2 "))
4.000 2.200 1.700 peak 258 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
(( segid " " and resid "43 " and name "HB1 "))
ASSI
(( segid " " and resid "38 " and name "HE1 ")
OR
( segid " " and resid "38 " and name "HE2 "))
(( segid " " and resid "43 " and name "HB1 "))
4.000 2.200 1.700 peak 260 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "38 " and name "HE1 ")
OR
( segid " " and resid "38 " and name "HE2 "))
(( segid " " and resid "43 " and name "HB2 "))
ASSI
(( segid " " and resid "39 " and name "HD1 "))
(( segid " " and resid "50 " and name "HD1 ")
OR
( segid " " and resid "50 " and name "HD2 "))
4.000 2.200 1.700 peak 273 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "39 " and name "HB2 "))
(( segid " " and resid "50 " and name "HD1 ")
OR
( segid " " and resid "50 " and name "HD2 "))
ASSI
(( segid " " and resid "40 " and name "HA "))
(( segid " " and resid "43 " and name "HB2 "))
3.500 1.700 1.400 peak 281 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "40 " and name "HA "))
(( segid " " and resid "43 " and name "HB1 "))
ASSI
(( segid " " and resid "40 " and name "HN "))
(( segid " " and resid "43 " and name "HB2 "))
4.000 2.200 1.700 peak 283 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "40 " and name "HN "))
(( segid " " and resid "43 " and name "HB1 "))
ASSI
(( segid " " and resid "52 " and name "HB1 "))
(( segid " " and resid "53 " and name "HN "))
3.500 1.700 1.400 peak 323 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "52 " and name "HB2 "))
(( segid " " and resid "53 " and name "HN "))
ASSI
(( segid " " and resid "54 " and name "HA "))
(( segid " " and resid "55 " and name "HD1 "))
3.000 1.200 1.000 peak 327 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "54 " and name "HA "))
(( segid " " and resid "55 " and name "HD2 "))
ASSI
(( segid " " and resid "34 " and name "HG1 ")
OR
( segid " " and resid "34 " and name "HG2 "))
(( segid " " and resid "57 " and name "HN "))
3.000 1.200 1.000 peak 331 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "56 " and name "HB "))
(( segid " " and resid "57 " and name "HN "))
ASSI
(( segid " " and resid "85 " and name "HB1 "))
(( segid " " and resid "86 " and name "HE1 ")
OR
( segid " " and resid "86 " and name "HE2 "))
10.000 8.200 4.300 peak 336 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "56 " and name "HB "))
(( segid " " and resid "86 " and name "HE1 ")
OR
( segid " " and resid "86 " and name "HE2 "))
ASSI
(( segid " " and resid "58 " and name "HB1 "))
(( segid " " and resid "59 " and name "HN "))
3.000 1.200 1.000 peak 340 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "58 " and name "HB2 "))
(( segid " " and resid "59 " and name "HN "))
ASSI
(( segid " " and resid "58 " and name "HD21")
OR
( segid " " and resid "58 " and name "HD23")
OR
( segid " " and resid "58 " and name "HD22"))
(( segid " " and resid "59 " and name "HN "))
3.500 1.700 1.400 peak 341 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "58 " and name "HD11")
OR
( segid " " and resid "58 " and name "HD13")
OR
( segid " " and resid "58 " and name "HD12"))
(( segid " " and resid "59 " and name "HN "))
ASSI
(( segid " " and resid "59 " and name "HB2 "))
(( segid " " and resid "60 " and name "HN "))
4.000 2.200 1.700 peak 345 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "59 " and name "HB1 "))
(( segid " " and resid "60 " and name "HN "))
ASSI
(( segid " " and resid "59 " and name "HD2 "))
(( segid " " and resid "60 " and name "HN "))
4.500 2.700 2.000 peak 346 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "59 " and name "HB2 "))
(( segid " " and resid "60 " and name "HN "))
OR
(( segid " " and resid "59 " and name "HG2 "))
(( segid " " and resid "60 " and name "HN "))
ASSI
(( segid " " and resid "62 " and name "HG11"))
(( segid " " and resid "79 " and name "HN "))
4.500 2.700 2.000 peak 358 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "62 " and name "HG12"))
(( segid " " and resid "79 " and name "HN "))
ASSI
(( segid " " and resid "65 " and name "HG11")
OR
( segid " " and resid "65 " and name "HG13")
OR
( segid " " and resid "65 " and name "HG12"))
(( segid " " and resid "64 " and name "HN "))
3.500 1.700 1.400 peak 373 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "65 " and name "HG11")
OR
( segid " " and resid "65 " and name "HG13")
OR
( segid " " and resid "65 " and name "HG12"))
(( segid " " and resid "66 " and name "HN "))
ASSI
(( segid " " and resid "64 " and name "HN "))
(( segid " " and resid "76 " and name "HB1 "))
3.500 1.700 1.400 peak 380 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "66 " and name "HN "))
(( segid " " and resid "76 " and name "HB1 "))
ASSI
(( segid " " and resid "70 " and name "HD2 "))
(( segid " " and resid "71 " and name "HN "))
4.500 2.700 2.000 peak 400 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "70 " and name "HD1 "))
(( segid " " and resid "71 " and name "HN "))
ASSI
(( segid " " and resid "73 " and name "HG2 "))
(( segid " " and resid "74 " and name "HN "))
4.000 2.200 1.700 peak 410 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "73 " and name "HG1 "))
(( segid " " and resid "74 " and name "HN "))
ASSI
(( segid " " and resid "76 " and name "HD1 ")
OR
( segid " " and resid "76 " and name "HD2 "))
(( segid " " and resid "96 " and name "HE1 ")
OR
( segid " " and resid "96 " and name "HE3 ")
OR
( segid " " and resid "96 " and name "HE2 "))
4.500 2.700 2.000 peak 431 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "76 " and name "HD1 ")
OR
( segid " " and resid "76 " and name "HD2 "))
(( segid " " and resid "90 " and name "HB1 ")
OR
( segid " " and resid "90 " and name "HB3 ")
OR
( segid " " and resid "90 " and name "HB2 "))
ASSI
(( segid " " and resid "76 " and name "HD1 ")
OR
( segid " " and resid "76 " and name "HD2 "))
(( segid " " and resid "96 " and name "HG1 "))
4.000 2.200 1.700 peak 432 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "76 " and name "HD1 ")
OR
( segid " " and resid "76 " and name "HD2 "))
(( segid " " and resid "96 " and name "HG2 "))
ASSI
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
(( segid " " and resid "99 " and name "HB1 "))
3.500 1.700 1.400 peak 434 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
(( segid " " and resid "99 " and name "HB2 "))
ASSI
(( segid " " and resid "77 " and name "HB2 "))
(( segid " " and resid "78 " and name "HN "))
4.000 2.200 1.700 peak 438 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "77 " and name "HD1 ")
OR
( segid " " and resid "77 " and name "HD2 "))
(( segid " " and resid "78 " and name "HN "))
ASSI
(( segid " " and resid "78 " and name "HN "))
(( segid " " and resid "78 " and name "HD21")
OR
( segid " " and resid "78 " and name "HD23")
OR
( segid " " and resid "78 " and name "HD22"))
4.500 2.700 2.000 peak 445 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "78 " and name "HN "))
(( segid " " and resid "87 " and name "HB2 "))
ASSI
(( segid " " and resid "79 " and name "HB1 "))
(( segid " " and resid "80 " and name "HN "))
3.500 1.700 1.400 peak 448 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "79 " and name "HB2 "))
(( segid " " and resid "80 " and name "HN "))
ASSI
(( segid " " and resid "85 " and name "HB2 "))
(( segid " " and resid "86 " and name "HD1 ")
OR
( segid " " and resid "86 " and name "HD2 "))
3.500 1.700 1.400 peak 457 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "80 " and name "HB1 "))
(( segid " " and resid "86 " and name "HD1 ")
OR
( segid " " and resid "86 " and name "HD2 "))
ASSI
(( segid " " and resid "80 " and name "HB2 "))
(( segid " " and resid "86 " and name "HE1 ")
OR
( segid " " and resid "86 " and name "HE2 "))
4.500 2.700 2.000 peak 458 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "80 " and name "HB1 "))
(( segid " " and resid "86 " and name "HE1 ")
OR
( segid " " and resid "86 " and name "HE2 "))
ASSI
(( segid " " and resid "35 " and name "HE1 ")
OR
( segid " " and resid "35 " and name "HE3 ")
OR
( segid " " and resid "35 " and name "HE2 "))
(( segid " " and resid "88 " and name "HD1 ")
OR
( segid " " and resid "88 " and name "HD2 "))
3.000 1.200 1.000 peak 483 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "28 " and name "HG "))
(( segid " " and resid "88 " and name "HD1 ")
OR
( segid " " and resid "88 " and name "HD2 "))
OR
(( segid " " and resid "86 " and name "HB2 "))
(( segid " " and resid "88 " and name "HD1 ")
OR
( segid " " and resid "88 " and name "HD2 "))
ASSI
(( segid " " and resid "86 " and name "HE1 ")
OR
( segid " " and resid "86 " and name "HE2 "))
(( segid " " and resid "88 " and name "HD1 ")
OR
( segid " " and resid "88 " and name "HD2 "))
4.000 2.200 3.700 peak 486 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "86 " and name "HE1 ")
OR
( segid " " and resid "86 " and name "HE2 "))
(( segid " " and resid "11 " and name "HZ3 "))
ASSI
(( segid " " and resid "87 " and name "HB2 "))
(( segid " " and resid "88 " and name "HN "))
2.100 0.300 3.900 peak 488 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "87 " and name "HB1 "))
(( segid " " and resid "88 " and name "HN "))
ASSI
(( segid " " and resid "89 " and name "HB1 "))
(( segid " " and resid "90 " and name "HN "))
4.500 2.700 2.000 peak 493 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "89 " and name "HB2 "))
(( segid " " and resid "90 " and name "HN "))
ASSI
(( segid " " and resid "91 " and name "HB2 "))
(( segid " " and resid "92 " and name "HN "))
3.000 1.200 1.000 peak 498 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "91 " and name "HB1 "))
(( segid " " and resid "92 " and name "HN "))
ASSI
(( segid " " and resid "97 " and name "HA "))
(( segid " " and resid "101 " and name "HN "))
3.500 1.700 1.400 peak 506 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "93 " and name "HA "))
(( segid " " and resid "96 " and name "HN "))
ASSI
(( segid " " and resid "94 " and name "HA "))
(( segid " " and resid "97 " and name "HN "))
3.000 1.200 1.000 peak 512 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "95 " and name "HA "))
(( segid " " and resid "97 " and name "HN "))
ASSI
(( segid " " and resid "95 " and name "HA "))
(( segid " " and resid "96 " and name "HN "))
3.500 1.700 1.400 peak 513 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "94 " and name "HA "))
(( segid " " and resid "96 " and name "HN "))
ASSI
(( segid " " and resid "94 " and name "HA "))
(( segid " " and resid "98 " and name "HG1 "))
4.500 2.700 2.000 peak 519 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "95 " and name "HA "))
(( segid " " and resid "98 " and name "HG1 "))
ASSI
(( segid " " and resid "94 " and name "HA "))
(( segid " " and resid "98 " and name "HN "))
3.000 1.200 1.000 peak 520 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "95 " and name "HA "))
(( segid " " and resid "98 " and name "HN "))
ASSI
(( segid " " and resid "98 " and name "HA "))
(( segid " " and resid "101 " and name "HG2 "))
3.500 1.700 1.400 peak 536 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "98 " and name "HA "))
(( segid " " and resid "101 " and name "HG1 "))
ASSI
(( segid " " and resid "98 " and name "HA "))
(( segid " " and resid "101 " and name "HN "))
3.000 1.200 1.000 peak 537 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "99 " and name "HA "))
(( segid " " and resid "101 " and name "HN "))
ASSI
(( segid " " and resid "99 " and name "HA "))
(( segid " " and resid "102 " and name "HN "))
3.000 1.200 1.000 peak 544 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "98 " and name "HA "))
(( segid " " and resid "102 " and name "HN "))
ASSI
(( segid " " and resid "104 " and name "HB2 "))
(( segid " " and resid "105 " and name "HN "))
4.000 2.200 1.700 peak 566 volume 0.000E+00 ppm1 -999.000 ppm2 -999.000
OR
(( segid " " and resid "102 " and name "HA "))
(( segid " " and resid "105 " and name "HN "))
ASSI
(( segid " " and resid "67 " and name "HN "))
(( segid " " and resid "66 " and name "HN "))
3.100 0.500 0.500 peak 69 volume 0.893E+07 ppm1 7.979 ppm2 8.725
OR
(( segid " " and resid "34 " and name "HN "))
(( segid " " and resid "31 " and name "HN "))
ASSI
(( segid " " and resid "40 " and name "HN "))
(( segid " " and resid "39 " and name "HN "))
2.500 0.400 0.400 peak 99 volume 0.336E+08 ppm1 7.471 ppm2 10.128
OR
(( segid " " and resid "11 " and name "HZ2 "))
(( segid " " and resid "11 " and name "HE1 "))
ASSI
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
(( segid " " and resid "37 " and name "HN "))
2.600 0.400 0.400 peak 110 volume 0.291E+08 ppm1 7.264 ppm2 7.515
OR
(( segid " " and resid "106 " and name "HN "))
(( segid " " and resid "105 " and name "HN "))
ASSI
(( segid " " and resid "11 " and name "HD1 "))
(( segid " " and resid "11 " and name "HE1 "))
2.600 0.400 0.400 peak 117 volume 0.413E+08 ppm1 7.067 ppm2 10.132
OR
(( segid " " and resid "23 " and name "HD1 "))
(( segid " " and resid "23 " and name "HE1 "))
ASSI
(( segid " " and resid "88 " and name "HZ "))
(( segid " " and resid "37 " and name "HE1 ")
OR
( segid " " and resid "37 " and name "HE2 "))
2.200 0.300 0.300 peak 152 volume 0.105E+09 ppm1 6.542 ppm2 7.172
OR
(( segid " " and resid "37 " and name "HZ "))
(( segid " " and resid "37 " and name "HE1 ")
OR
( segid " " and resid "37 " and name "HE2 "))
OR
(( segid " " and resid "88 " and name "HE1 ")
OR
( segid " " and resid "88 " and name "HE2 "))
(( segid " " and resid "37 " and name "HE1 ")
OR
( segid " " and resid "37 " and name "HE2 "))
ASSI
(( segid " " and resid "88 " and name "HE1 ")
OR
( segid " " and resid "88 " and name "HE2 "))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
3.100 0.500 0.500 peak 153 volume 0.132E+08 ppm1 6.532 ppm2 7.250
OR
(( segid " " and resid "37 " and name "HZ "))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
ASSI
(( segid " " and resid "28 " and name "HA "))
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
3.200 0.500 0.500 peak 209 volume 0.894E+07 ppm1 5.477 ppm2 7.243
OR
(( segid " " and resid "28 " and name "HA "))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
ASSI
(( segid " " and resid "78 " and name "HA "))
(( segid " " and resid "76 " and name "HD1 ")
OR
( segid " " and resid "76 " and name "HD2 "))
3.100 0.500 0.500 peak 214 volume 0.109E+08 ppm1 5.457 ppm2 7.033
OR
(( segid " " and resid "76 " and name "HA "))
(( segid " " and resid "76 " and name "HD1 ")
OR
( segid " " and resid "76 " and name "HD2 "))
ASSI
(( segid " " and resid "89 " and name "HA "))
(( segid " " and resid "90 " and name "HN "))
2.000 0.300 0.300 peak 230 volume 0.131E+09 ppm1 5.277 ppm2 8.877
OR
(( segid " " and resid "34 " and name "HA "))
(( segid " " and resid "35 " and name "HN "))
ASSI
(( segid " " and resid "4 " and name "HA "))
(( segid " " and resid "4 " and name "HN "))
2.800 0.400 0.400 peak 234 volume 0.176E+08 ppm1 5.203 ppm2 8.860
OR
(( segid " " and resid "35 " and name "HA "))
(( segid " " and resid "35 " and name "HN "))
ASSI
(( segid " " and resid "29 " and name "HA "))
(( segid " " and resid "3 " and name "HN "))
3.100 0.500 0.500 peak 476 volume 0.862E+07 ppm1 4.599 ppm2 8.043
OR
(( segid " " and resid "82 " and name "HA "))
(( segid " " and resid "83 " and name "HN "))
ASSI
(( segid " " and resid "82 " and name "HA "))
(( segid " " and resid "82 " and name "HN "))
2.800 0.400 0.400 peak 480 volume 0.150E+08 ppm1 4.582 ppm2 7.748
OR
(( segid " " and resid "46 " and name "HA "))
(( segid " " and resid "47 " and name "HN "))
ASSI
(( segid " " and resid "5 " and name "HA "))
(( segid " " and resid "5 " and name "HN "))
2.700 0.400 0.400 peak 489 volume 0.204E+08 ppm1 4.572 ppm2 9.301
OR
(( segid " " and resid "61 " and name "HA "))
(( segid " " and resid "81 " and name "HN "))
ASSI
(( segid " " and resid "84 " and name "HA "))
(( segid " " and resid "84 " and name "HN "))
2.800 0.400 0.400 peak 495 volume 0.156E+08 ppm1 4.532 ppm2 8.115
OR
(( segid " " and resid "43 " and name "HB1 "))
(( segid " " and resid "48 " and name "HN "))
ASSI
(( segid " " and resid "69 " and name "HA "))
(( segid " " and resid "69 " and name "HN "))
2.600 0.400 0.400 peak 503 volume 0.262E+08 ppm1 4.498 ppm2 7.789
OR
(( segid " " and resid "68 " and name "HA "))
(( segid " " and resid "69 " and name "HN "))
ASSI
(( segid " " and resid "58 " and name "HA "))
(( segid " " and resid "58 " and name "HN "))
2.500 0.400 0.400 peak 509 volume 0.355E+08 ppm1 4.437 ppm2 8.793
OR
(( segid " " and resid "62 " and name "HA "))
(( segid " " and resid "62 " and name "HN "))
ASSI
(( segid " " and resid "93 " and name "HA "))
(( segid " " and resid "93 " and name "HN "))
2.800 0.400 0.400 peak 521 volume 0.168E+08 ppm1 4.362 ppm2 8.226
OR
(( segid " " and resid "104 " and name "HA "))
(( segid " " and resid "104 " and name "HN "))
ASSI
(( segid " " and resid "43 " and name "HA "))
(( segid " " and resid "47 " and name "HN "))
2.700 0.400 0.400 peak 537 volume 0.259E+08 ppm1 4.240 ppm2 7.715
OR
(( segid " " and resid "40 " and name "HA "))
(( segid " " and resid "4 " and name "HE1 ")
OR
( segid " " and resid "4 " and name "HE2 "))
ASSI
(( segid " " and resid "19 " and name "HA "))
(( segid " " and resid "20 " and name "HN "))
2.500 0.400 0.400 peak 554 volume 0.279E+08 ppm1 4.132 ppm2 7.904
OR
(( segid " " and resid "59 " and name "HA "))
(( segid " " and resid "59 " and name "HN "))
ASSI
(( segid " " and resid "94 " and name "HA "))
(( segid " " and resid "94 " and name "HN "))
2.400 0.400 0.400 peak 556 volume 0.387E+08 ppm1 4.128 ppm2 8.287
OR
(( segid " " and resid "95 " and name "HA "))
(( segid " " and resid "98 " and name "HN "))
ASSI
(( segid " " and resid "94 " and name "HA "))
(( segid " " and resid "95 " and name "HN "))
2.600 0.400 0.400 peak 560 volume 0.268E+08 ppm1 4.115 ppm2 9.355
OR
(( segid " " and resid "95 " and name "HA "))
(( segid " " and resid "95 " and name "HN "))
ASSI
(( segid " " and resid "51 " and name "HA "))
(( segid " " and resid "52 " and name "HN "))
2.400 0.400 0.400 peak 568 volume 0.391E+08 ppm1 4.088 ppm2 7.752
OR
(( segid " " and resid "52 " and name "HA "))
(( segid " " and resid "52 " and name "HN "))
ASSI
(( segid " " and resid "45 " and name "HA "))
(( segid " " and resid "45 " and name "HN "))
2.500 0.400 0.400 peak 579 volume 0.355E+08 ppm1 4.020 ppm2 7.647
OR
(( segid " " and resid "42 " and name "HA "))
(( segid " " and resid "45 " and name "HN "))
ASSI
(( segid " " and resid "104 " and name "HB2 "))
(( segid " " and resid "104 " and name "HN "))
2.600 0.400 0.400 peak 580 volume 0.216E+08 ppm1 4.003 ppm2 8.230
OR
(( segid " " and resid "101 " and name "HA "))
(( segid " " and resid "104 " and name "HN "))
ASSI
(( segid " " and resid "42 " and name "HA "))
(( segid " " and resid "46 " and name "HN "))
2.400 0.400 0.400 peak 582 volume 0.364E+08 ppm1 3.993 ppm2 7.518
OR
(( segid " " and resid "104 " and name "HB2 "))
(( segid " " and resid "105 " and name "HN "))
OR
(( segid " " and resid "45 " and name "HA "))
(( segid " " and resid "46 " and name "HN "))
OR
(( segid " " and resid "102 " and name "HA "))
(( segid " " and resid "105 " and name "HN "))
ASSI
(( segid " " and resid "102 " and name "HA "))
(( segid " " and resid "102 " and name "HN "))
2.500 0.400 0.400 peak 583 volume 0.330E+08 ppm1 3.989 ppm2 7.935
OR
(( segid " " and resid "20 " and name "HB1 "))
(( segid " " and resid "20 " and name "HN "))
ASSI
(( segid " " and resid "102 " and name "HA "))
(( segid " " and resid "103 " and name "HN "))
3.000 0.500 0.500 peak 585 volume 0.105E+08 ppm1 3.986 ppm2 8.477
OR
(( segid " " and resid "101 " and name "HA "))
(( segid " " and resid "103 " and name "HN "))
ASSI
(( segid " " and resid "47 " and name "HA2 "))
(( segid " " and resid "47 " and name "HA1 "))
1.700 0.300 0.300 peak 618 volume 0.273E+09 ppm1 3.864 ppm2 4.074
OR
(( segid " " and resid "46 " and name "HB2 "))
(( segid " " and resid "46 " and name "HB1 "))
ASSI
(( segid " " and resid "46 " and name "HB2 "))
(( segid " " and resid "48 " and name "HN "))
2.800 0.400 0.400 peak 619 volume 0.170E+08 ppm1 3.860 ppm2 8.108
OR
(( segid " " and resid "99 " and name "HA "))
(( segid " " and resid "100 " and name "HN "))
OR
(( segid " " and resid "47 " and name "HA2 "))
(( segid " " and resid "48 " and name "HN "))
OR
(( segid " " and resid "98 " and name "HA "))
(( segid " " and resid "101 " and name "HN "))
ASSI
(( segid " " and resid "52 " and name "HB2 "))
(( segid " " and resid "53 " and name "HN "))
2.500 0.400 0.400 peak 621 volume 0.316E+08 ppm1 3.847 ppm2 8.301
OR
(( segid " " and resid "98 " and name "HA "))
(( segid " " and resid "98 " and name "HN "))
ASSI
(( segid " " and resid "52 " and name "HB2 "))
(( segid " " and resid "53 " and name "HN "))
2.600 0.400 0.400 peak 625 volume 0.191E+08 ppm1 3.823 ppm2 8.271
OR
(( segid " " and resid "19 " and name "HB1 ")
OR
( segid " " and resid "19 " and name "HB2 "))
(( segid " " and resid "19 " and name "HN "))
ASSI
(( segid " " and resid "47 " and name "HA2 "))
(( segid " " and resid "48 " and name "HN "))
2.700 0.400 0.400 peak 627 volume 0.214E+08 ppm1 3.820 ppm2 8.101
OR
(( segid " " and resid "46 " and name "HB2 "))
(( segid " " and resid "48 " and name "HN "))
OR
(( segid " " and resid "96 " and name "HA "))
(( segid " " and resid "96 " and name "HN "))
OR
(( segid " " and resid "99 " and name "HA "))
(( segid " " and resid "100 " and name "HN "))
ASSI
(( segid " " and resid "24 " and name "HB1 "))
(( segid " " and resid "24 " and name "HN "))
2.800 0.400 0.400 peak 737 volume 0.136E+08 ppm1 3.121 ppm2 9.050
OR
(( segid " " and resid "23 " and name "HB1 "))
(( segid " " and resid "24 " and name "HN "))
ASSI
(( segid " " and resid "23 " and name "HB2 "))
(( segid " " and resid "23 " and name "HD1 "))
2.700 0.400 0.400 peak 793 volume 0.186E+08 ppm1 2.911 ppm2 7.060
OR
(( segid " " and resid "11 " and name "HB2 "))
(( segid " " and resid "11 " and name "HD1 "))
ASSI
(( segid " " and resid "44 " and name "HA "))
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
2.500 0.400 0.400 peak 811 volume 0.312E+08 ppm1 2.806 ppm2 7.237
OR
(( segid " " and resid "38 " and name "HB2 "))
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
ASSI
(( segid " " and resid "28 " and name "HB1 "))
(( segid " " and resid "99 " and name "HZ3 "))
3.000 0.500 0.500 peak 816 volume 0.103E+08 ppm1 2.789 ppm2 6.467
OR
(( segid " " and resid "44 " and name "HA "))
(( segid " " and resid "38 " and name "HE1 ")
OR
( segid " " and resid "38 " and name "HE2 "))
ASSI
(( segid " " and resid "6 " and name "HB2 "))
(( segid " " and resid "6 " and name "HN "))
2.300 0.300 0.300 peak 817 volume 0.427E+08 ppm1 2.786 ppm2 7.603
OR
(( segid " " and resid "44 " and name "HA "))
(( segid " " and resid "44 " and name "HN "))
ASSI
(( segid " " and resid "99 " and name "HB2 "))
(( segid " " and resid "99 " and name "HB1 "))
1.600 0.200 0.200 peak 837 volume 0.307E+09 ppm1 2.738 ppm2 2.931
OR
(( segid " " and resid "15 " and name "HB2 "))
(( segid " " and resid "15 " and name "HB1 "))
ASSI
(( segid " " and resid "89 " and name "HG1 ")
OR
( segid " " and resid "89 " and name "HG2 "))
(( segid " " and resid "6 " and name "HN "))
3.000 0.500 0.500 peak 848 volume 0.958E+07 ppm1 2.708 ppm2 7.606
OR
(( segid " " and resid "89 " and name "HB1 "))
(( segid " " and resid "6 " and name "HN "))
ASSI
(( segid " " and resid "53 " and name "HG1 ")
OR
( segid " " and resid "53 " and name "HG2 "))
(( segid " " and resid "53 " and name "HN "))
2.400 0.400 0.400 peak 866 volume 0.334E+08 ppm1 2.647 ppm2 8.304
OR
(( segid " " and resid "92 " and name "HB1 ")
OR
( segid " " and resid "92 " and name "HB2 "))
(( segid " " and resid "94 " and name "HN "))
ASSI
(( segid " " and resid "27 " and name "HB1 "))
(( segid " " and resid "38 " and name "HN "))
2.600 0.400 0.400 peak 870 volume 0.202E+08 ppm1 2.637 ppm2 9.684
OR
(( segid " " and resid "37 " and name "HB1 ")
OR
( segid " " and resid "37 " and name "HB2 "))
(( segid " " and resid "38 " and name "HN "))
ASSI
(( segid " " and resid "101 " and name "HG2 "))
(( segid " " and resid "101 " and name "HN "))
2.600 0.400 0.400 peak 919 volume 0.190E+08 ppm1 2.409 ppm2 8.115
OR
(( segid " " and resid "84 " and name "HB2 "))
(( segid " " and resid "84 " and name "HN "))
ASSI
(( segid " " and resid "86 " and name "HB1 "))
(( segid " " and resid "86 " and name "HN "))
2.300 0.300 0.300 peak 927 volume 0.431E+08 ppm1 2.389 ppm2 9.267
OR
(( segid " " and resid "78 " and name "HB1 "))
(( segid " " and resid "78 " and name "HN "))
ASSI
(( segid " " and resid "95 " and name "HB1 "))
(( segid " " and resid "96 " and name "HN "))
2.800 0.400 0.400 peak 937 volume 0.147E+08 ppm1 2.348 ppm2 8.115
OR
(( segid " " and resid "80 " and name "HB1 "))
(( segid " " and resid "84 " and name "HN "))
ASSI
(( segid " " and resid "53 " and name "HB1 "))
(( segid " " and resid "53 " and name "HN "))
2.300 0.300 0.300 peak 956 volume 0.475E+08 ppm1 2.264 ppm2 8.301
OR
(( segid " " and resid "94 " and name "HG1 ")
OR
( segid " " and resid "94 " and name "HG2 "))
(( segid " " and resid "94 " and name "HN "))
ASSI
(( segid " " and resid "2 " and name "HG1 ")
OR
( segid " " and resid "2 " and name "HG2 "))
(( segid " " and resid "2 " and name "HN "))
2.800 0.400 0.400 peak 964 volume 0.123E+08 ppm1 2.247 ppm2 8.067
OR
(( segid " " and resid "2 " and name "HG1 ")
OR
( segid " " and resid "2 " and name "HG2 "))
(( segid " " and resid "3 " and name "HN "))
ASSI
(( segid " " and resid "95 " and name "HB2 "))
(( segid " " and resid "95 " and name "HB1 "))
1.500 0.200 0.200 peak 965 volume 0.425E+09 ppm1 2.247 ppm2 2.355
OR
(( segid " " and resid "60 " and name "HB1 ")
OR
( segid " " and resid "60 " and name "HB2 "))
(( segid " " and resid "60 " and name "HG1 ")
OR
( segid " " and resid "60 " and name "HG2 "))
ASSI
(( segid " " and resid "28 " and name "HB2 "))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
2.900 0.400 0.400 peak 987 volume 0.131E+08 ppm1 2.192 ppm2 7.247
OR
(( segid " " and resid "95 " and name "HB2 "))
(( segid " " and resid "99 " and name "HD1 "))
ASSI
(( segid " " and resid "103 " and name "HG11"))
(( segid " " and resid "103 " and name "HN "))
2.200 0.300 0.300 peak 1037 volume 0.622E+08 ppm1 2.064 ppm2 8.477
OR
(( segid " " and resid "29 " and name "HB "))
(( segid " " and resid "29 " and name "HN "))
ASSI
(( segid " " and resid "80 " and name "HB2 "))
(( segid " " and resid "83 " and name "HN "))
2.600 0.400 0.400 peak 1062 volume 0.196E+08 ppm1 1.999 ppm2 8.050
OR
(( segid " " and resid "2 " and name "HB2 "))
(( segid " " and resid "3 " and name "HN "))
OR
(( segid " " and resid "2 " and name "HB2 "))
(( segid " " and resid "2 " and name "HN "))
ASSI
(( segid " " and resid "77 " and name "HB1 "))
(( segid " " and resid "77 " and name "HE1 ")
OR
( segid " " and resid "77 " and name "HE2 "))
2.600 0.400 0.400 peak 1100 volume 0.177E+08 ppm1 1.874 ppm2 2.660
OR
(( segid " " and resid "63 " and name "HG "))
(( segid " " and resid "63 " and name "HB2 "))
ASSI
(( segid " " and resid "12 " and name "HB1 ")
OR
( segid " " and resid "12 " and name "HB2 "))
(( segid " " and resid "12 " and name "HN "))
2.700 0.400 0.400 peak 1131 volume 0.177E+08 ppm1 1.809 ppm2 8.681
OR
(( segid " " and resid "42 " and name "HB1 ")
OR
( segid " " and resid "42 " and name "HB2 "))
(( segid " " and resid "43 " and name "HN "))
ASSI
(( segid " " and resid "77 " and name "HB2 "))
(( segid " " and resid "77 " and name "HB1 "))
1.500 0.200 0.200 peak 1170 volume 0.488E+09 ppm1 1.735 ppm2 1.846
OR
(( segid " " and resid "59 " and name "HB2 "))
(( segid " " and resid "59 " and name "HB1 "))
ASSI
(( segid " " and resid "30 " and name "HB "))
(( segid " " and resid "31 " and name "HN "))
2.800 0.400 0.400 peak 1175 volume 0.145E+08 ppm1 1.725 ppm2 8.708
OR
(( segid " " and resid "77 " and name "HB2 "))
(( segid " " and resid "64 " and name "HN "))
ASSI
(( segid " " and resid "79 " and name "HB2 "))
(( segid " " and resid "85 " and name "HG1 ")
OR
( segid " " and resid "85 " and name "HG2 "))
2.500 0.400 0.400 peak 1176 volume 0.237E+08 ppm1 1.725 ppm2 2.124
OR
(( segid " " and resid "39 " and name "HG1 "))
(( segid " " and resid "39 " and name "HB1 "))
ASSI
(( segid " " and resid "100 " and name "HB "))
(( segid " " and resid "101 " and name "HN "))
2.300 0.300 0.300 peak 1188 volume 0.500E+08 ppm1 1.701 ppm2 8.108
OR
(( segid " " and resid "100 " and name "HB "))
(( segid " " and resid "100 " and name "HN "))
ASSI
(( segid " " and resid "39 " and name "HG1 "))
(( segid " " and resid "39 " and name "HB2 "))
1.900 0.300 0.300 peak 1197 volume 0.132E+09 ppm1 1.694 ppm2 1.965
OR
(( segid " " and resid "79 " and name "HG1 "))
(( segid " " and resid "79 " and name "HB1 "))
OR
(( segid " " and resid "91 " and name "HG1 ")
OR
( segid " " and resid "91 " and name "HG2 "))
(( segid " " and resid "91 " and name "HB1 "))
ASSI
(( segid " " and resid "78 " and name "HG "))
(( segid " " and resid "78 " and name "HN "))
2.800 0.400 0.400 peak 1198 volume 0.124E+08 ppm1 1.691 ppm2 9.254
OR
(( segid " " and resid "77 " and name "HB2 "))
(( segid " " and resid "78 " and name "HN "))
OR
(( segid " " and resid "77 " and name "HD1 ")
OR
( segid " " and resid "77 " and name "HD2 "))
(( segid " " and resid "78 " and name "HN "))
OR
(( segid " " and resid "30 " and name "HB "))
(( segid " " and resid "32 " and name "HN "))
ASSI
(( segid " " and resid "55 " and name "HB1 ")
OR
( segid " " and resid "55 " and name "HB2 "))
(( segid " " and resid "55 " and name "HG2 "))
1.900 0.300 0.300 peak 1227 volume 0.118E+09 ppm1 1.637 ppm2 1.945
OR
(( segid " " and resid "39 " and name "HG2 "))
(( segid " " and resid "39 " and name "HD1 "))
OR
(( segid " " and resid "39 " and name "HG2 "))
(( segid " " and resid "39 " and name "HB2 "))
ASSI
(( segid " " and resid "70 " and name "HD2 "))
(( segid " " and resid "70 " and name "HE1 ")
OR
( segid " " and resid "70 " and name "HE2 "))
2.200 0.300 0.300 peak 1228 volume 0.501E+08 ppm1 1.623 ppm2 2.992
OR
(( segid " " and resid "70 " and name "HD1 "))
(( segid " " and resid "70 " and name "HE1 ")
OR
( segid " " and resid "70 " and name "HE2 "))
ASSI
(( segid " " and resid "58 " and name "HG "))
(( segid " " and resid "58 " and name "HN "))
2.600 0.400 0.400 peak 1240 volume 0.231E+08 ppm1 1.592 ppm2 8.769
OR
(( segid " " and resid "16 " and name "HB2 "))
(( segid " " and resid "17 " and name "HN "))
OR
(( segid " " and resid "16 " and name "HB1 "))
(( segid " " and resid "17 " and name "HN "))
ASSI
(( segid " " and resid "5 " and name "HB1 "))
(( segid " " and resid "28 " and name "HG "))
2.600 0.400 0.400 peak 1251 volume 0.144E+08 ppm1 1.552 ppm2 2.013
OR
(( segid " " and resid "35 " and name "HB1 ")
OR
( segid " " and resid "35 " and name "HB2 "))
(( segid " " and resid "35 " and name "HE1 ")
OR
( segid " " and resid "35 " and name "HE3 ")
OR
( segid " " and resid "35 " and name "HE2 "))
ASSI
(( segid " " and resid "7 " and name "HB1 ")
OR
( segid " " and resid "7 " and name "HB2 "))
(( segid " " and resid "24 " and name "HD2 "))
2.900 0.400 0.400 peak 1255 volume 0.113E+08 ppm1 1.542 ppm2 6.837
OR
(( segid " " and resid "71 " and name "HB1 ")
OR
( segid " " and resid "71 " and name "HB2 "))
(( segid " " and resid "71 " and name "HN "))
ASSI
(( segid " " and resid "7 " and name "HB1 ")
OR
( segid " " and resid "7 " and name "HB2 "))
(( segid " " and resid "88 " and name "HE1 ")
OR
( segid " " and resid "88 " and name "HE2 "))
2.500 0.400 0.400 peak 1262 volume 0.348E+08 ppm1 1.528 ppm2 6.542
OR
(( segid " " and resid "78 " and name "HB2 "))
(( segid " " and resid "88 " and name "HE1 ")
OR
( segid " " and resid "88 " and name "HE2 "))
ASSI
(( segid " " and resid "5 " and name "HB1 "))
(( segid " " and resid "88 " and name "HD1 ")
OR
( segid " " and resid "88 " and name "HD2 "))
2.700 0.400 0.400 peak 1279 volume 0.195E+08 ppm1 1.491 ppm2 6.877
OR
(( segid " " and resid "78 " and name "HB2 "))
(( segid " " and resid "88 " and name "HD1 ")
OR
( segid " " and resid "88 " and name "HD2 "))
ASSI
(( segid " " and resid "91 " and name "HD1 ")
OR
( segid " " and resid "91 " and name "HD2 "))
(( segid " " and resid "91 " and name "HG1 ")
OR
( segid " " and resid "91 " and name "HG2 "))
1.700 0.300 0.300 peak 1301 volume 0.246E+09 ppm1 1.433 ppm2 1.684
OR
(( segid " " and resid "42 " and name "HG1 ")
OR
( segid " " and resid "42 " and name "HG2 "))
(( segid " " and resid "42 " and name "HD1 ")
OR
( segid " " and resid "42 " and name "HD2 "))
ASSI
(( segid " " and resid "59 " and name "HD2 "))
(( segid " " and resid "60 " and name "HG1 ")
OR
( segid " " and resid "60 " and name "HG2 "))
2.700 0.400 0.400 peak 1303 volume 0.133E+08 ppm1 1.426 ppm2 2.345
OR
(( segid " " and resid "59 " and name "HG2 "))
(( segid " " and resid "60 " and name "HG1 ")
OR
( segid " " and resid "60 " and name "HG2 "))
ASSI
(( segid " " and resid "16 " and name "HG1 ")
OR
( segid " " and resid "16 " and name "HG2 "))
(( segid " " and resid "16 " and name "HD1 ")
OR
( segid " " and resid "16 " and name "HD2 "))
1.900 0.300 0.300 peak 1317 volume 0.134E+09 ppm1 1.403 ppm2 1.602
OR
(( segid " " and resid "58 " and name "HB1 "))
(( segid " " and resid "58 " and name "HG "))
ASSI
(( segid " " and resid "13 " and name "HB1 ")
OR
( segid " " and resid "13 " and name "HB3 ")
OR
( segid " " and resid "13 " and name "HB2 "))
(( segid " " and resid "12 " and name "HG2 "))
2.800 0.400 0.400 peak 1348 volume 0.885E+07 ppm1 1.372 ppm2 1.867
OR
(( segid " " and resid "91 " and name "HD1 ")
OR
( segid " " and resid "91 " and name "HD2 "))
(( segid " " and resid "90 " and name "HB1 ")
OR
( segid " " and resid "90 " and name "HB3 ")
OR
( segid " " and resid "90 " and name "HB2 "))
OR
(( segid " " and resid "66 " and name "HB1 ")
OR
( segid " " and resid "66 " and name "HB3 ")
OR
( segid " " and resid "66 " and name "HB2 "))
(( segid " " and resid "77 " and name "HB1 "))
ASSI
(( segid " " and resid "87 " and name "HG "))
(( segid " " and resid "77 " and name "HB1 "))
2.900 0.400 0.400 peak 1360 volume 0.759E+07 ppm1 1.335 ppm2 1.863
OR
(( segid " " and resid "66 " and name "HB1 ")
OR
( segid " " and resid "66 " and name "HB3 ")
OR
( segid " " and resid "66 " and name "HB2 "))
(( segid " " and resid "77 " and name "HB1 "))
OR
(( segid " " and resid "13 " and name "HB1 ")
OR
( segid " " and resid "13 " and name "HB3 ")
OR
( segid " " and resid "13 " and name "HB2 "))
(( segid " " and resid "12 " and name "HG2 "))
ASSI
(( segid " " and resid "80 " and name "HD21")
OR
( segid " " and resid "80 " and name "HD23")
OR
( segid " " and resid "80 " and name "HD22"))
(( segid " " and resid "61 " and name "HB1 ")
OR
( segid " " and resid "61 " and name "HB3 ")
OR
( segid " " and resid "61 " and name "HB2 "))
2.000 0.300 0.300 peak 1485 volume 0.522E+08 ppm1 1.087 ppm2 1.385
OR
(( segid " " and resid "78 " and name "HD11")
OR
( segid " " and resid "78 " and name "HD13")
OR
( segid " " and resid "78 " and name "HD12"))
(( segid " " and resid "61 " and name "HB1 ")
OR
( segid " " and resid "61 " and name "HB3 ")
OR
( segid " " and resid "61 " and name "HB2 "))
ASSI
(( segid " " and resid "41 " and name "HB1 ")
OR
( segid " " and resid "41 " and name "HB3 ")
OR
( segid " " and resid "41 " and name "HB2 "))
(( segid " " and resid "41 " and name "HN "))
2.000 0.300 0.300 peak 1496 volume 0.868E+08 ppm1 1.047 ppm2 7.867
OR
(( segid " " and resid "54 " and name "HG21")
OR
( segid " " and resid "54 " and name "HG23")
OR
( segid " " and resid "54 " and name "HG22"))
(( segid " " and resid "54 " and name "HN "))
ASSI
(( segid " " and resid "87 " and name "HB1 "))
(( segid " " and resid "23 " and name "HH2 "))
2.400 0.400 0.400 peak 1499 volume 0.396E+08 ppm1 1.043 ppm2 6.403
OR
(( segid " " and resid "41 " and name "HB1 ")
OR
( segid " " and resid "41 " and name "HB3 ")
OR
( segid " " and resid "41 " and name "HB2 "))
(( segid " " and resid "27 " and name "HE1 ")
OR
( segid " " and resid "27 " and name "HE2 "))
ASSI
(( segid " " and resid "56 " and name "HG21")
OR
( segid " " and resid "56 " and name "HG23")
OR
( segid " " and resid "56 " and name "HG22"))
(( segid " " and resid "56 " and name "HB "))
2.000 0.300 0.300 peak 1504 volume 0.689E+08 ppm1 1.040 ppm2 2.308
OR
(( segid " " and resid "54 " and name "HG21")
OR
( segid " " and resid "54 " and name "HG23")
OR
( segid " " and resid "54 " and name "HG22"))
(( segid " " and resid "54 " and name "HB "))
ASSI
(( segid " " and resid "87 " and name "HB1 "))
(( segid " " and resid "87 " and name "HN "))
2.500 0.400 0.400 peak 1512 volume 0.278E+08 ppm1 1.016 ppm2 8.833
OR
(( segid " " and resid "87 " and name "HB2 "))
(( segid " " and resid "87 " and name "HN "))
ASSI
(( segid " " and resid "87 " and name "HB2 "))
(( segid " " and resid "23 " and name "HH2 "))
2.500 0.400 0.400 peak 1521 volume 0.327E+08 ppm1 1.006 ppm2 6.433
OR
(( segid " " and resid "87 " and name "HB1 "))
(( segid " " and resid "23 " and name "HH2 "))
ASSI
(( segid " " and resid "78 " and name "HD21")
OR
( segid " " and resid "78 " and name "HD23")
OR
( segid " " and resid "78 " and name "HD22"))
(( segid " " and resid "61 " and name "HB1 ")
OR
( segid " " and resid "61 " and name "HB3 ")
OR
( segid " " and resid "61 " and name "HB2 "))
2.300 0.300 0.300 peak 1529 volume 0.326E+08 ppm1 0.996 ppm2 1.382
OR
(( segid " " and resid "17 " and name "HG1 "))
(( segid " " and resid "17 " and name "HB1 ")
OR
( segid " " and resid "17 " and name "HB2 "))
ASSI
(( segid " " and resid "78 " and name "HD21")
OR
( segid " " and resid "78 " and name "HD23")
OR
( segid " " and resid "78 " and name "HD22"))
(( segid " " and resid "80 " and name "HD21")
OR
( segid " " and resid "80 " and name "HD23")
OR
( segid " " and resid "80 " and name "HD22"))
2.100 0.300 0.300 peak 1532 volume 0.470E+08 ppm1 0.982 ppm2 1.097
OR
(( segid " " and resid "48 " and name "HG21")
OR
( segid " " and resid "48 " and name "HG23")
OR
( segid " " and resid "48 " and name "HG22"))
(( segid " " and resid "48 " and name "HG12"))
OR
(( segid " " and resid "17 " and name "HG1 "))
(( segid " " and resid "17 " and name "HD1 ")
OR
( segid " " and resid "17 " and name "HD2 "))
ASSI
(( segid " " and resid "103 " and name "HG21")
OR
( segid " " and resid "103 " and name "HG23")
OR
( segid " " and resid "103 " and name "HG22"))
(( segid " " and resid "58 " and name "HG "))
2.800 0.400 0.400 peak 1562 volume 0.848E+07 ppm1 0.914 ppm2 1.596
OR
(( segid " " and resid "62 " and name "HG21")
OR
( segid " " and resid "62 " and name "HG23")
OR
( segid " " and resid "62 " and name "HG22"))
(( segid " " and resid "62 " and name "HG11"))
ASSI
(( segid " " and resid "100 " and name "HG21")
OR
( segid " " and resid "100 " and name "HG23")
OR
( segid " " and resid "100 " and name "HG22"))
(( segid " " and resid "100 " and name "HB "))
1.800 0.300 0.300 peak 1604 volume 0.134E+09 ppm1 0.826 ppm2 1.694
OR
(( segid " " and resid "30 " and name "HD11")
OR
( segid " " and resid "30 " and name "HD13")
OR
( segid " " and resid "30 " and name "HD12"))
(( segid " " and resid "30 " and name "HB "))
ASSI
(( segid " " and resid "58 " and name "HD21")
OR
( segid " " and resid "58 " and name "HD23")
OR
( segid " " and resid "58 " and name "HD22"))
(( segid " " and resid "61 " and name "HB1 ")
OR
( segid " " and resid "61 " and name "HB3 ")
OR
( segid " " and resid "61 " and name "HB2 "))
1.700 0.300 0.300 peak 1612 volume 0.143E+09 ppm1 0.820 ppm2 1.389
OR
(( segid " " and resid "17 " and name "HG2 "))
(( segid " " and resid "17 " and name "HB1 ")
OR
( segid " " and resid "17 " and name "HB2 "))
ASSI
(( segid " " and resid "30 " and name "HD11")
OR
( segid " " and resid "30 " and name "HD13")
OR
( segid " " and resid "30 " and name "HD12"))
(( segid " " and resid "103 " and name "HG11"))
2.700 0.400 0.400 peak 1617 volume 0.110E+08 ppm1 0.809 ppm2 2.036
OR
(( segid " " and resid "58 " and name "HD11")
OR
( segid " " and resid "58 " and name "HD13")
OR
( segid " " and resid "58 " and name "HD12"))
(( segid " " and resid "103 " and name "HG11"))
ASSI
(( segid " " and resid "58 " and name "HD21")
OR
( segid " " and resid "58 " and name "HD23")
OR
( segid " " and resid "58 " and name "HD22"))
(( segid " " and resid "58 " and name "HG "))
2.100 0.300 0.300 peak 1622 volume 0.457E+08 ppm1 0.806 ppm2 1.592
OR
(( segid " " and resid "58 " and name "HD11")
OR
( segid " " and resid "58 " and name "HD13")
OR
( segid " " and resid "58 " and name "HD12"))
(( segid " " and resid "58 " and name "HG "))
ASSI
(( segid " " and resid "75 " and name "HG21")
OR
( segid " " and resid "75 " and name "HG23")
OR
( segid " " and resid "75 " and name "HG22"))
(( segid " " and resid "69 " and name "HD1 ")
OR
( segid " " and resid "69 " and name "HD2 "))
2.500 0.400 0.400 peak 1631 volume 0.257E+08 ppm1 0.782 ppm2 7.277
OR
(( segid " " and resid "75 " and name "HG11")
OR
( segid " " and resid "75 " and name "HG13")
OR
( segid " " and resid "75 " and name "HG12"))
(( segid " " and resid "69 " and name "HD1 ")
OR
( segid " " and resid "69 " and name "HD2 "))
ASSI
(( segid " " and resid "8 " and name "HD1 "))
(( segid " " and resid "69 " and name "HE1 ")
OR
( segid " " and resid "69 " and name "HE2 "))
2.900 0.400 0.400 peak 1632 volume 0.107E+08 ppm1 0.782 ppm2 6.796
OR
(( segid " " and resid "75 " and name "HG21")
OR
( segid " " and resid "75 " and name "HG23")
OR
( segid " " and resid "75 " and name "HG22"))
(( segid " " and resid "69 " and name "HE1 ")
OR
( segid " " and resid "69 " and name "HE2 "))
OR
(( segid " " and resid "75 " and name "HG11")
OR
( segid " " and resid "75 " and name "HG13")
OR
( segid " " and resid "75 " and name "HG12"))
(( segid " " and resid "69 " and name "HE1 ")
OR
( segid " " and resid "69 " and name "HE2 "))
ASSI
(( segid " " and resid "100 " and name "HG21")
OR
( segid " " and resid "100 " and name "HG23")
OR
( segid " " and resid "100 " and name "HG22"))
(( segid " " and resid "101 " and name "HA "))
2.600 0.400 0.400 peak 1633 volume 0.184E+08 ppm1 0.782 ppm2 3.958
OR
(( segid " " and resid "100 " and name "HD11")
OR
( segid " " and resid "100 " and name "HD13")
OR
( segid " " and resid "100 " and name "HD12"))
(( segid " " and resid "65 " and name "HA "))
ASSI
(( segid " " and resid "100 " and name "HG21")
OR
( segid " " and resid "100 " and name "HG23")
OR
( segid " " and resid "100 " and name "HG22"))
(( segid " " and resid "100 " and name "HB "))
1.800 0.300 0.300 peak 1643 volume 0.107E+09 ppm1 0.772 ppm2 1.687
OR
(( 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 "HB "))
OR
(( segid " " and resid "100 " and name "HD11")
OR
( segid " " and resid "100 " and name "HD13")
OR
( segid " " and resid "100 " and name "HD12"))
(( segid " " and resid "100 " and name "HB "))
ASSI
(( 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 "HB "))
1.900 0.300 0.300 peak 1650 volume 0.861E+08 ppm1 0.765 ppm2 1.684
OR
(( segid " " and resid "100 " and name "HD11")
OR
( segid " " and resid "100 " and name "HD13")
OR
( segid " " and resid "100 " and name "HD12"))
(( segid " " and resid "100 " and name "HB "))
ASSI
(( segid " " and resid "26 " and name "HG11")
OR
( segid " " and resid "26 " and name "HG13")
OR
( segid " " and resid "26 " and name "HG12"))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
2.500 0.400 0.400 peak 1721 volume 0.285E+08 ppm1 0.575 ppm2 7.247
OR
(( segid " " and resid "5 " and name "HD11")
OR
( segid " " and resid "5 " and name "HD13")
OR
( segid " " and resid "5 " and name "HD12"))
(( segid " " and resid "99 " and name "HD1 "))
ASSI
(( segid " " and resid "4 " and name "HZ "))
(( segid " " and resid "4 " and name "HE1 ")
OR
( segid " " and resid "4 " and name "HE2 "))
2.200 0.600 0.600 peak 46 volume 0.192E+09 ppm1 7.544 ppm2 7.713
OR
(( segid " " and resid "46 " and name "HN "))
(( segid " " and resid "47 " and name "HN "))
ASSI
(( segid " " and resid "37 " and name "HE1 ")
OR
( segid " " and resid "37 " and name "HE2 "))
(( segid " " and resid "37 " and name "HZ "))
2.200 0.600 0.600 peak 58 volume 0.183E+09 ppm1 7.174 ppm2 6.544
OR
(( segid " " and resid "37 " and name "HE1 ")
OR
( segid " " and resid "37 " and name "HE2 "))
(( segid " " and resid "88 " and name "HE1 ")
OR
( segid " " and resid "88 " and name "HE2 "))
ASSI
(( segid " " and resid "45 " and name "HB1 ")
OR
( segid " " and resid "45 " and name "HB3 ")
OR
( segid " " and resid "45 " and name "HB2 "))
(( segid " " and resid "45 " and name "HN "))
2.200 0.600 0.600 peak 78 volume 0.109E+09 ppm1 1.444 ppm2 7.646
OR
(( segid " " and resid "16 " and name "HG1 ")
OR
( segid " " and resid "16 " and name "HG2 "))
(( segid " " and resid "16 " and name "HN "))
ASSI
(( segid " " and resid "67 " and name "HD21")
OR
( segid " " and resid "67 " and name "HD23")
OR
( segid " " and resid "67 " and name "HD22"))
(( segid " " and resid "74 " and name "HD2 "))
2.300 0.700 0.700 peak 105 volume 0.969E+08 ppm1 1.000 ppm2 6.877
OR
(( segid " " and resid "78 " and name "HD21")
OR
( segid " " and resid "78 " and name "HD23")
OR
( segid " " and resid "78 " and name "HD22"))
(( segid " " and resid "88 " and name "HD1 ")
OR
( segid " " and resid "88 " and name "HD2 "))
ASSI
(( segid " " and resid "46 " and name "HB1 "))
(( segid " " and resid "46 " and name "HN "))
2.200 0.600 0.600 peak 113 volume 0.115E+09 ppm1 4.044 ppm2 7.528
OR
(( segid " " and resid "45 " and name "HA "))
(( segid " " and resid "46 " and name "HN "))
OR
(( segid " " and resid "36 " and name "HA1 "))
(( segid " " and resid "37 " and name "HN "))
ASSI
(( segid " " and resid "61 " and name "HB1 ")
OR
( segid " " and resid "61 " and name "HB3 ")
OR
( segid " " and resid "61 " and name "HB2 "))
(( segid " " and resid "62 " and name "HN "))
2.100 0.600 0.600 peak 126 volume 0.121E+09 ppm1 1.394 ppm2 8.771
OR
(( segid " " and resid "58 " and name "HB1 "))
(( segid " " and resid "58 " and name "HN "))
ASSI
(( segid " " and resid "13 " and name "HA "))
(( segid " " and resid "13 " and name "HN "))
2.400 0.700 0.700 peak 162 volume 0.701E+08 ppm1 4.081 ppm2 8.038
OR
(( segid " " and resid "83 " and name "HA1 "))
(( segid " " and resid "83 " and name "HN "))
ASSI
(( segid " " and resid "78 " and name "HB2 "))
(( segid " " and resid "88 " and name "HE1 ")
OR
( segid " " and resid "88 " and name "HE2 "))
2.400 0.700 0.700 peak 167 volume 0.681E+08 ppm1 1.518 ppm2 6.544
OR
(( segid " " and resid "5 " and name "HB1 "))
(( segid " " and resid "88 " and name "HE1 ")
OR
( segid " " and resid "88 " and name "HE2 "))
ASSI
(( segid " " and resid "14 " and name "HA "))
(( segid " " and resid "15 " and name "HN "))
2.400 0.700 0.700 peak 168 volume 0.732E+08 ppm1 4.253 ppm2 8.608
OR
(( segid " " and resid "15 " and name "HA "))
(( segid " " and resid "15 " and name "HN "))
ASSI
(( segid " " and resid "98 " and name "HB "))
(( segid " " and resid "98 " and name "HN "))
2.400 0.700 0.700 peak 173 volume 0.676E+08 ppm1 4.253 ppm2 8.297
OR
(( segid " " and resid "53 " and name "HA "))
(( segid " " and resid "53 " and name "HN "))
ASSI
(( segid " " and resid "94 " and name "HA "))
(( segid " " and resid "94 " and name "HN "))
2.400 0.700 0.700 peak 182 volume 0.695E+08 ppm1 4.118 ppm2 8.275
OR
(( segid " " and resid "19 " and name "HA "))
(( segid " " and resid "19 " and name "HN "))
ASSI
(( segid " " and resid "99 " and name "HB2 "))
(( segid " " and resid "100 " and name "HN "))
2.400 0.700 0.700 peak 184 volume 0.607E+08 ppm1 2.713 ppm2 8.105
OR
(( segid " " and resid "51 " and name "HB2 "))
(( segid " " and resid "51 " and name "HD1 "))
ASSI
(( segid " " and resid "80 " and name "HD11")
OR
( segid " " and resid "80 " and name "HD13")
OR
( segid " " and resid "80 " and name "HD12"))
(( segid " " and resid "37 " and name "HZ "))
2.500 0.800 0.800 peak 191 volume 0.588E+08 ppm1 1.246 ppm2 6.544
OR
(( segid " " and resid "5 " and name "HB2 "))
(( segid " " and resid "88 " and name "HE1 ")
OR
( segid " " and resid "88 " and name "HE2 "))
ASSI
(( segid " " and resid "43 " and name "HN "))
(( segid " " and resid "42 " and name "HN "))
2.500 0.800 0.800 peak 217 volume 0.690E+08 ppm1 8.690 ppm2 8.046
OR
(( segid " " and resid "12 " and name "HN "))
(( segid " " and resid "13 " and name "HN "))
ASSI
(( segid " " and resid "96 " and name "HA "))
(( segid " " and resid "96 " and name "HN "))
2.500 0.800 0.800 peak 236 volume 0.522E+08 ppm1 3.822 ppm2 8.105
OR
(( segid " " and resid "99 " and name "HA "))
(( segid " " and resid "100 " and name "HN "))
OR
(( segid " " and resid "47 " and name "HA2 "))
(( segid " " and resid "48 " and name "HN "))
OR
(( segid " " and resid "46 " and name "HB2 "))
(( segid " " and resid "48 " and name "HN "))
ASSI
(( segid " " and resid "95 " and name "HA "))
(( segid " " and resid "96 " and name "HN "))
2.600 0.800 0.800 peak 274 volume 0.405E+08 ppm1 4.081 ppm2 8.105
OR
(( segid " " and resid "47 " and name "HA1 "))
(( segid " " and resid "48 " and name "HN "))
OR
(( segid " " and resid "83 " and name "HA1 "))
(( segid " " and resid "84 " and name "HN "))
ASSI
(( segid " " and resid "2 " and name "HB2 "))
(( segid " " and resid "3 " and name "HN "))
2.500 0.800 0.800 peak 280 volume 0.407E+08 ppm1 1.998 ppm2 8.046
OR
(( segid " " and resid "2 " and name "HB2 "))
(( segid " " and resid "2 " and name "HN "))
OR
(( segid " " and resid "80 " and name "HB2 "))
(( segid " " and resid "83 " and name "HN "))
ASSI
(( segid " " and resid "5 " and name "HB1 "))
(( segid " " and resid "88 " and name "HD1 ")
OR
( segid " " and resid "88 " and name "HD2 "))
2.600 0.800 0.800 peak 284 volume 0.423E+08 ppm1 1.493 ppm2 6.877
OR
(( segid " " and resid "78 " and name "HB2 "))
(( segid " " and resid "88 " and name "HD1 ")
OR
( segid " " and resid "88 " and name "HD2 "))
ASSI
(( segid " " and resid "96 " and name "HB1 ")
OR
( segid " " and resid "96 " and name "HB2 "))
(( segid " " and resid "99 " and name "HD1 "))
2.600 0.800 0.800 peak 291 volume 0.400E+08 ppm1 2.232 ppm2 7.247
OR
(( segid " " and resid "28 " and name "HB2 "))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
OR
(( segid " " and resid "95 " and name "HB2 "))
(( segid " " and resid "99 " and name "HD1 "))
ASSI
(( segid " " and resid "100 " and name "HD11")
OR
( segid " " and resid "100 " and name "HD13")
OR
( segid " " and resid "100 " and name "HD12"))
(( segid " " and resid "76 " and name "HD1 ")
OR
( segid " " and resid "76 " and name "HD2 "))
2.400 0.700 0.700 peak 296 volume 0.469E+08 ppm1 0.766 ppm2 7.025
OR
(( segid " " and resid "8 " and name "HD1 "))
(( segid " " and resid "23 " and name "HZ2 "))
OR
(( segid " " and resid "75 " and name "HG21")
OR
( segid " " and resid "75 " and name "HG23")
OR
( segid " " and resid "75 " and name "HG22"))
(( segid " " and resid "23 " and name "HZ2 "))
ASSI
(( segid " " and resid "5 " and name "HD21")
OR
( segid " " and resid "5 " and name "HD23")
OR
( segid " " and resid "5 " and name "HD22"))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
2.700 0.900 0.900 peak 325 volume 0.352E+08 ppm1 -0.836 ppm2 6.714
OR
(( segid " " and resid "5 " and name "HD21")
OR
( segid " " and resid "5 " and name "HD23")
OR
( segid " " and resid "5 " and name "HD22"))
(( segid " " and resid "99 " and name "HH2 "))
ASSI
(( segid " " and resid "56 " and name "HG11")
OR
( segid " " and resid "56 " and name "HG13")
OR
( segid " " and resid "56 " and name "HG12"))
(( segid " " and resid "57 " and name "HN "))
2.600 0.800 0.800 peak 356 volume 0.389E+08 ppm1 1.222 ppm2 8.808
OR
(( segid " " and resid "62 " and name "HG12"))
(( segid " " and resid "62 " and name "HN "))
ASSI
(( segid " " and resid "28 " and name "HB1 "))
(( segid " " and resid "99 " and name "HZ3 "))
2.700 0.900 0.900 peak 362 volume 0.275E+08 ppm1 2.775 ppm2 6.463
OR
(( segid " " and resid "44 " and name "HA "))
(( segid " " and resid "38 " and name "HE1 ")
OR
( segid " " and resid "38 " and name "HE2 "))
ASSI
(( segid " " and resid "99 " and name "HB2 "))
(( segid " " and resid "99 " and name "HN "))
2.700 0.900 0.900 peak 364 volume 0.279E+08 ppm1 2.713 ppm2 8.046
OR
(( segid " " and resid "82 " and name "HB1 ")
OR
( segid " " and resid "82 " and name "HB2 "))
(( segid " " and resid "83 " and name "HN "))
ASSI
(( segid " " and resid "49 " and name "HA "))
(( segid " " and resid "38 " and name "HE1 ")
OR
( segid " " and resid "38 " and name "HE2 "))
2.800 1.000 1.000 peak 381 volume 0.276E+08 ppm1 4.574 ppm2 6.463
OR
(( segid " " and resid "29 " and name "HA "))
(( segid " " and resid "99 " and name "HZ3 "))
ASSI
(( segid " " and resid "99 " and name "HA "))
(( segid " " and resid "99 " and name "HZ3 "))
2.800 1.000 1.000 peak 403 volume 0.235E+08 ppm1 3.859 ppm2 6.463
OR
(( segid " " and resid "47 " and name "HA2 "))
(( segid " " and resid "38 " and name "HE1 ")
OR
( segid " " and resid "38 " and name "HE2 "))
ASSI
(( segid " " and resid "86 " and name "HN "))
(( segid " " and resid "80 " and name "HN "))
2.900 1.100 1.100 peak 404 volume 0.285E+08 ppm1 9.294 ppm2 9.140
OR
(( segid " " and resid "5 " and name "HN "))
(( segid " " and resid "26 " and name "HN "))
ASSI
(( segid " " and resid "78 " and name "HA "))
(( segid " " and resid "76 " and name "HD1 ")
OR
( segid " " and resid "76 " and name "HD2 "))
2.900 1.100 1.100 peak 410 volume 0.228E+08 ppm1 5.449 ppm2 7.032
OR
(( segid " " and resid "76 " and name "HA "))
(( segid " " and resid "76 " and name "HD1 ")
OR
( segid " " and resid "76 " and name "HD2 "))
ASSI
(( segid " " and resid "16 " and name "HB2 "))
(( segid " " and resid "16 " and name "HN "))
2.700 0.900 0.900 peak 412 volume 0.283E+08 ppm1 1.592 ppm2 7.639
OR
(( segid " " and resid "16 " and name "HB1 "))
(( segid " " and resid "16 " and name "HN "))
ASSI
(( segid " " and resid "86 " and name "HB1 "))
(( segid " " and resid "88 " and name "HE1 ")
OR
( segid " " and resid "88 " and name "HE2 "))
2.700 0.900 0.900 peak 419 volume 0.317E+08 ppm1 2.380 ppm2 6.537
OR
(( segid " " and resid "78 " and name "HB1 "))
(( segid " " and resid "88 " and name "HE1 ")
OR
( segid " " and resid "88 " and name "HE2 "))
ASSI
(( segid " " and resid "93 " and name "HB1 "))
(( segid " " and resid "94 " and name "HN "))
2.600 0.800 0.800 peak 425 volume 0.328E+08 ppm1 2.886 ppm2 8.290
OR
(( segid " " and resid "97 " and name "HB1 "))
(( segid " " and resid "98 " and name "HN "))
ASSI
(( segid " " and resid "63 " and name "HN "))
(( segid " " and resid "64 " and name "HN "))
3.000 1.100 1.100 peak 426 volume 0.254E+08 ppm1 8.961 ppm2 8.711
OR
(( segid " " and resid "65 " and name "HN "))
(( segid " " and resid "66 " and name "HN "))
OR
(( segid " " and resid "65 " and name "HN "))
(( segid " " and resid "64 " and name "HN "))
ASSI
(( segid " " and resid "5 " and name "HA "))
(( segid " " and resid "5 " and name "HN "))
2.800 1.000 1.000 peak 432 volume 0.287E+08 ppm1 4.562 ppm2 9.303
OR
(( segid " " and resid "61 " and name "HA "))
(( segid " " and resid "81 " and name "HN "))
ASSI
(( segid " " and resid "26 " and name "HA "))
(( segid " " and resid "50 " and name "HE1 ")
OR
( segid " " and resid "50 " and name "HE2 "))
3.000 1.100 1.100 peak 438 volume 0.204E+08 ppm1 4.389 ppm2 6.522
OR
(( segid " " and resid "39 " and name "HA "))
(( segid " " and resid "50 " and name "HE1 ")
OR
( segid " " and resid "50 " and name "HE2 "))
ASSI
(( segid " " and resid "36 " and name "HA1 "))
(( segid " " and resid "38 " and name "HE1 ")
OR
( segid " " and resid "38 " and name "HE2 "))
2.900 1.100 1.100 peak 440 volume 0.239E+08 ppm1 4.056 ppm2 6.463
OR
(( segid " " and resid "47 " and name "HA1 "))
(( segid " " and resid "38 " and name "HE1 ")
OR
( segid " " and resid "38 " and name "HE2 "))
ASSI
(( segid " " and resid "8 " and name "HB1 "))
(( segid " " and resid "87 " and name "HN "))
2.700 0.900 0.900 peak 446 volume 0.291E+08 ppm1 0.088 ppm2 8.852
OR
(( segid " " and resid "8 " and name "HB1 "))
(( segid " " and resid "8 " and name "HN "))
ASSI
(( segid " " and resid "100 " and name "HD11")
OR
( segid " " and resid "100 " and name "HD13")
OR
( segid " " and resid "100 " and name "HD12"))
(( segid " " and resid "100 " and name "HN "))
2.600 0.800 0.800 peak 464 volume 0.358E+08 ppm1 0.803 ppm2 8.112
OR
(( segid " " and resid "100 " and name "HG21")
OR
( segid " " and resid "100 " and name "HG23")
OR
( segid " " and resid "100 " and name "HG22"))
(( segid " " and resid "101 " and name "HN "))
OR
(( segid " " and resid "100 " and name "HG21")
OR
( segid " " and resid "100 " and name "HG23")
OR
( segid " " and resid "100 " and name "HG22"))
(( segid " " and resid "100 " and name "HN "))
ASSI
(( segid " " and resid "24 " and name "HB2 "))
(( segid " " and resid "24 " and name "HN "))
2.800 1.000 1.000 peak 478 volume 0.218E+08 ppm1 2.922 ppm2 9.052
OR
(( segid " " and resid "23 " and name "HB2 "))
(( segid " " and resid "24 " and name "HN "))
ASSI
(( segid " " and resid "37 " and name "HB1 ")
OR
( segid " " and resid "37 " and name "HB2 "))
(( segid " " and resid "38 " and name "HN "))
2.800 1.000 1.000 peak 479 volume 0.236E+08 ppm1 2.639 ppm2 9.688
OR
(( segid " " and resid "27 " and name "HB1 "))
(( segid " " and resid "38 " and name "HN "))
ASSI
(( segid " " and resid "26 " and name "HN "))
(( segid " " and resid "4 " and name "HD1 ")
OR
( segid " " and resid "4 " and name "HD2 "))
3.200 1.300 1.300 peak 488 volume 0.173E+08 ppm1 9.121 ppm2 7.410
OR
(( segid " " and resid "27 " and name "HN "))
(( segid " " and resid "4 " and name "HD1 ")
OR
( segid " " and resid "4 " and name "HD2 "))
ASSI
(( segid " " and resid "85 " and name "HG1 ")
OR
( segid " " and resid "85 " and name "HG2 "))
(( segid " " and resid "79 " and name "HA "))
2.600 0.800 0.800 peak 490 volume 0.240E+08 ppm1 2.134 ppm2 5.280
OR
(( segid " " and resid "34 " and name "HB1 "))
(( segid " " and resid "34 " and name "HA "))
ASSI
(( segid " " and resid "80 " and name "HB2 "))
(( segid " " and resid "86 " and name "HE1 ")
OR
( segid " " and resid "86 " and name "HE2 "))
3.000 1.100 1.100 peak 493 volume 0.187E+08 ppm1 2.011 ppm2 6.064
OR
(( segid " " and resid "86 " and name "HB2 "))
(( segid " " and resid "86 " and name "HE1 ")
OR
( segid " " and resid "86 " and name "HE2 "))
OR
(( segid " " and resid "35 " and name "HE1 ")
OR
( segid " " and resid "35 " and name "HE3 ")
OR
( segid " " and resid "35 " and name "HE2 "))
(( segid " " and resid "86 " and name "HE1 ")
OR
( segid " " and resid "86 " and name "HE2 "))
ASSI
(( segid " " and resid "26 " and name "HB "))
(( segid " " and resid "24 " and name "HB2 "))
3.100 1.200 1.200 peak 500 volume 0.779E+07 ppm1 1.702 ppm2 2.957
OR
(( segid " " and resid "100 " and name "HB "))
(( segid " " and resid "99 " and name "HB1 "))
OR
(( segid " " and resid "91 " and name "HG1 ")
OR
( segid " " and resid "91 " and name "HG2 "))
(( segid " " and resid "4 " and name "HB2 "))
ASSI
(( segid " " and resid "104 " and name "HB2 "))
(( segid " " and resid "104 " and name "HA "))
2.900 1.100 1.100 peak 506 volume 0.130E+08 ppm1 4.032 ppm2 4.370
OR
(( segid " " and resid "104 " and name "HB1 "))
(( segid " " and resid "104 " and name "HA "))
ASSI
(( segid " " and resid "98 " and name "HG21")
OR
( segid " " and resid "98 " and name "HG23")
OR
( segid " " and resid "98 " and name "HG22"))
(( segid " " and resid "99 " and name "HD1 "))
3.100 1.200 1.200 peak 509 volume 0.161E+08 ppm1 1.012 ppm2 7.247
OR
(( segid " " and resid "56 " and name "HG21")
OR
( segid " " and resid "56 " and name "HG23")
OR
( segid " " and resid "56 " and name "HG22"))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
OR
(( segid " " and resid "48 " and name "HG21")
OR
( segid " " and resid "48 " and name "HG23")
OR
( segid " " and resid "48 " and name "HG22"))
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
OR
(( segid " " and resid "54 " and name "HG21")
OR
( segid " " and resid "54 " and name "HG23")
OR
( segid " " and resid "54 " and name "HG22"))
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
OR
(( segid " " and resid "54 " and name "HG21")
OR
( segid " " and resid "54 " and name "HG23")
OR
( segid " " and resid "54 " and name "HG22"))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
ASSI
(( segid " " and resid "101 " and name "HA "))
(( segid " " and resid "103 " and name "HN "))
2.900 1.100 1.100 peak 510 volume 0.202E+08 ppm1 3.970 ppm2 8.482
OR
(( segid " " and resid "102 " and name "HA "))
(( segid " " and resid "103 " and name "HN "))
ASSI
(( segid " " and resid "28 " and name "HA "))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
3.100 1.200 1.200 peak 511 volume 0.177E+08 ppm1 5.461 ppm2 7.247
OR
(( segid " " and resid "28 " and name "HA "))
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
ASSI
(( segid " " and resid "89 " and name "HA "))
(( segid " " and resid "76 " and name "HN "))
2.800 1.000 1.000 peak 517 volume 0.263E+08 ppm1 5.264 ppm2 9.606
OR
(( segid " " and resid "89 " and name "HA "))
(( segid " " and resid "89 " and name "HN "))
ASSI
(( segid " " and resid "75 " and name "HB "))
(( segid " " and resid "66 " and name "HN "))
2.800 1.000 1.000 peak 529 volume 0.208E+08 ppm1 2.109 ppm2 8.711
OR
(( segid " " and resid "65 " and name "HB "))
(( segid " " and resid "66 " and name "HN "))
ASSI
(( segid " " and resid "95 " and name "HB1 "))
(( segid " " and resid "99 " and name "HD1 "))
3.000 1.100 1.100 peak 530 volume 0.155E+08 ppm1 2.356 ppm2 7.247
OR
(( segid " " and resid "49 " and name "HB1 ")
OR
( segid " " and resid "49 " and name "HB2 "))
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
OR
(( segid " " and resid "50 " and name "HB2 "))
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
ASSI
(( segid " " and resid "99 " and name "HB1 "))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
3.000 1.100 1.100 peak 538 volume 0.177E+08 ppm1 2.972 ppm2 6.714
OR
(( segid " " and resid "76 " and name "HB2 "))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
ASSI
(( segid " " and resid "98 " and name "HA "))
(( segid " " and resid "99 " and name "HN "))
3.100 1.200 1.200 peak 546 volume 0.147E+08 ppm1 3.822 ppm2 8.038
OR
(( segid " " and resid "99 " and name "HA "))
(( segid " " and resid "99 " and name "HN "))
ASSI
(( segid " " and resid "58 " and name "HB1 "))
(( segid " " and resid "59 " and name "HN "))
2.900 1.100 1.100 peak 547 volume 0.179E+08 ppm1 1.407 ppm2 7.905
OR
(( segid " " and resid "59 " and name "HG2 "))
(( segid " " and resid "59 " and name "HN "))
OR
(( segid " " and resid "59 " and name "HD2 "))
(( segid " " and resid "59 " and name "HN "))
OR
(( segid " " and resid "61 " and name "HB1 ")
OR
( segid " " and resid "61 " and name "HB3 ")
OR
( segid " " and resid "61 " and name "HB2 "))
(( segid " " and resid "59 " and name "HN "))
ASSI
(( segid " " and resid "75 " and name "HG21")
OR
( segid " " and resid "75 " and name "HG23")
OR
( segid " " and resid "75 " and name "HG22"))
(( segid " " and resid "74 " and name "HN "))
2.800 1.000 1.000 peak 553 volume 0.258E+08 ppm1 0.803 ppm2 8.859
OR
(( 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 "35 " and name "HN "))
OR
(( segid " " and resid "58 " and name "HD11")
OR
( segid " " and resid "58 " and name "HD13")
OR
( segid " " and resid "58 " and name "HD12"))
(( segid " " and resid "35 " and name "HN "))
OR
(( segid " " and resid "58 " and name "HD21")
OR
( segid " " and resid "58 " and name "HD23")
OR
( segid " " and resid "58 " and name "HD22"))
(( segid " " and resid "35 " and name "HN "))
ASSI
(( segid " " and resid "39 " and name "HB2 "))
(( segid " " and resid "50 " and name "HD1 ")
OR
( segid " " and resid "50 " and name "HD2 "))
3.100 1.200 1.200 peak 558 volume 0.143E+08 ppm1 1.949 ppm2 6.766
OR
(( segid " " and resid "39 " and name "HD1 "))
(( segid " " and resid "50 " and name "HD1 ")
OR
( segid " " and resid "50 " and name "HD2 "))
ASSI
(( segid " " and resid "95 " and name "HA "))
(( segid " " and resid "99 " and name "HD1 "))
3.200 1.300 1.300 peak 565 volume 0.139E+08 ppm1 4.081 ppm2 7.240
OR
(( segid " " and resid "47 " and name "HA1 "))
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
ASSI
(( segid " " and resid "88 " and name "HD1 ")
OR
( segid " " and resid "88 " and name "HD2 "))
(( segid " " and resid "86 " and name "HD1 ")
OR
( segid " " and resid "86 " and name "HD2 "))
3.400 1.400 1.400 peak 566 volume 0.142E+08 ppm1 6.879 ppm2 6.433
OR
(( segid " " and resid "88 " and name "HD1 ")
OR
( segid " " and resid "88 " and name "HD2 "))
(( segid " " and resid "23 " and name "HH2 "))
ASSI
(( segid " " and resid "66 " and name "HN "))
(( segid " " and resid "65 " and name "HN "))
3.200 1.300 1.300 peak 567 volume 0.168E+08 ppm1 8.702 ppm2 8.963
OR
(( segid " " and resid "64 " and name "HN "))
(( segid " " and resid "65 " and name "HN "))
OR
(( segid " " and resid "64 " and name "HN "))
(( segid " " and resid "63 " and name "HN "))
ASSI
(( segid " " and resid "76 " and name "HB1 "))
(( segid " " and resid "64 " and name "HN "))
3.000 1.100 1.100 peak 573 volume 0.147E+08 ppm1 3.120 ppm2 8.711
OR
(( segid " " and resid "76 " and name "HB1 "))
(( segid " " and resid "66 " and name "HN "))
ASSI
(( segid " " and resid "99 " and name "HE3 "))
(( segid " " and resid "99 " and name "HH2 "))
3.300 1.400 1.400 peak 578 volume 0.165E+08 ppm1 7.125 ppm2 6.714
OR
(( segid " " and resid "99 " and name "HE3 "))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
ASSI
(( segid " " and resid "96 " and name "HA "))
(( segid " " and resid "99 " and name "HD1 "))
3.300 1.400 1.400 peak 579 volume 0.981E+07 ppm1 3.810 ppm2 7.247
OR
(( segid " " and resid "105 " and name "HB2 "))
(( segid " " and resid "106 " and name "HN "))
ASSI
(( segid " " and resid "66 " and name "HA "))
(( segid " " and resid "68 " and name "HN "))
3.000 1.100 1.100 peak 581 volume 0.173E+08 ppm1 4.845 ppm2 8.808
OR
(( segid " " and resid "80 " and name "HA "))
(( segid " " and resid "62 " and name "HN "))
ASSI
(( segid " " and resid "27 " and name "HD1 ")
OR
( segid " " and resid "27 " and name "HD2 "))
(( segid " " and resid "4 " and name "HN "))
3.100 1.200 1.200 peak 591 volume 0.167E+08 ppm1 5.572 ppm2 8.852
OR
(( segid " " and resid "88 " and name "HA "))
(( segid " " and resid "8 " and name "HN "))
OR
(( segid " " and resid "88 " and name "HA "))
(( segid " " and resid "87 " and name "HN "))
ASSI
(( segid " " and resid "99 " and name "HB1 "))
(( segid " " and resid "99 " and name "HE3 "))
3.100 1.200 1.200 peak 600 volume 0.147E+08 ppm1 2.947 ppm2 7.129
OR
(( segid " " and resid "71 " and name "HE1 ")
OR
( segid " " and resid "71 " and name "HE2 "))
(( segid " " and resid "72 " and name "HN "))
ASSI
(( segid " " and resid "77 " and name "HB2 "))
(( segid " " and resid "77 " and name "HA "))
2.800 1.000 1.000 peak 605 volume 0.182E+08 ppm1 1.739 ppm2 5.339
OR
(( segid " " and resid "77 " and name "HD1 ")
OR
( segid " " and resid "77 " and name "HD2 "))
(( segid " " and resid "77 " and name "HA "))
ASSI
(( segid " " and resid "41 " and name "HB1 ")
OR
( segid " " and resid "41 " and name "HB3 ")
OR
( segid " " and resid "41 " and name "HB2 "))
(( segid " " and resid "27 " and name "HD1 ")
OR
( segid " " and resid "27 " and name "HD2 "))
3.000 1.100 1.100 peak 612 volume 0.145E+08 ppm1 1.037 ppm2 5.568
OR
(( segid " " and resid "87 " and name "HB1 "))
(( segid " " and resid "88 " and name "HA "))
OR
(( segid " " and resid "87 " and name "HB2 "))
(( segid " " and resid "88 " and name "HA "))
ASSI
(( segid " " and resid "37 " and name "HZ "))
(( segid " " and resid "86 " and name "HE1 ")
OR
( segid " " and resid "86 " and name "HE2 "))
3.600 1.600 1.600 peak 615 volume 0.107E+08 ppm1 6.558 ppm2 6.064
OR
(( segid " " and resid "88 " and name "HE1 ")
OR
( segid " " and resid "88 " and name "HE2 "))
(( segid " " and resid "86 " and name "HE1 ")
OR
( segid " " and resid "86 " and name "HE2 "))
OR
(( segid " " and resid "88 " and name "HZ "))
(( segid " " and resid "86 " and name "HE1 ")
OR
( segid " " and resid "86 " and name "HE2 "))
ASSI
(( segid " " and resid "35 " and name "HG1 "))
(( segid " " and resid "37 " and name "HE1 ")
OR
( segid " " and resid "37 " and name "HE2 "))
3.000 1.100 1.100 peak 618 volume 0.173E+08 ppm1 1.715 ppm2 7.158
OR
(( segid " " and resid "35 " and name "HG2 "))
(( segid " " and resid "37 " and name "HE1 ")
OR
( segid " " and resid "37 " and name "HE2 "))
ASSI
(( segid " " and resid "62 " and name "HG21")
OR
( segid " " and resid "62 " and name "HG23")
OR
( segid " " and resid "62 " and name "HG22"))
(( segid " " and resid "79 " and name "HD1 ")
OR
( segid " " and resid "79 " and name "HD2 "))
2.800 1.000 1.000 peak 620 volume 0.146E+08 ppm1 0.901 ppm2 3.194
OR
(( segid " " and resid "62 " and name "HD11")
OR
( segid " " and resid "62 " and name "HD13")
OR
( segid " " and resid "62 " and name "HD12"))
(( segid " " and resid "79 " and name "HD1 ")
OR
( segid " " and resid "79 " and name "HD2 "))
ASSI
(( segid " " and resid "79 " and name "HG2 "))
(( segid " " and resid "80 " and name "HN "))
3.000 1.100 1.100 peak 623 volume 0.144E+08 ppm1 1.641 ppm2 9.148
OR
(( segid " " and resid "79 " and name "HG1 "))
(( segid " " and resid "80 " and name "HN "))
ASSI
(( segid " " and resid "78 " and name "HB2 "))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
3.200 1.300 1.300 peak 624 volume 0.116E+08 ppm1 1.493 ppm2 6.714
OR
(( segid " " and resid "5 " and name "HB1 "))
(( segid " " and resid "99 " and name "HH2 "))
ASSI
(( segid " " and resid "56 " and name "HN "))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
3.300 1.400 1.400 peak 628 volume 0.143E+08 ppm1 8.468 ppm2 7.240
OR
(( segid " " and resid "29 " and name "HN "))
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
OR
(( segid " " and resid "28 " and name "HN "))
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
OR
(( segid " " and resid "29 " and name "HN "))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
ASSI
(( segid " " and resid "87 " and name "HB2 "))
(( segid " " and resid "23 " and name "HZ2 "))
2.900 1.100 1.100 peak 642 volume 0.139E+08 ppm1 1.000 ppm2 7.025
OR
(( segid " " and resid "78 " and name "HD21")
OR
( segid " " and resid "78 " and name "HD23")
OR
( segid " " and resid "78 " and name "HD22"))
(( segid " " and resid "76 " and name "HD1 ")
OR
( segid " " and resid "76 " and name "HD2 "))
ASSI
(( segid " " and resid "8 " and name "HA "))
(( segid " " and resid "23 " and name "HN "))
3.100 1.200 1.200 peak 648 volume 0.140E+08 ppm1 3.871 ppm2 8.556
OR
(( segid " " and resid "22 " and name "HB1 "))
(( segid " " and resid "23 " and name "HN "))
ASSI
(( segid " " and resid "57 " and name "HA "))
(( segid " " and resid "34 " and name "HN "))
3.300 1.400 1.400 peak 652 volume 0.927E+07 ppm1 4.660 ppm2 7.964
OR
(( segid " " and resid "23 " and name "HA "))
(( segid " " and resid "24 " and name "HD1 "))
ASSI
(( segid " " and resid "11 " and name "HZ2 "))
(( segid " " and resid "11 " and name "HD1 "))
3.500 1.500 1.500 peak 660 volume 0.874E+07 ppm1 7.470 ppm2 7.069
OR
(( segid " " and resid "11 " and name "HE3 "))
(( segid " " and resid "11 " and name "HD1 "))
ASSI
(( segid " " and resid "57 " and name "HA "))
(( segid " " and resid "35 " and name "HN "))
3.100 1.200 1.200 peak 666 volume 0.156E+08 ppm1 4.636 ppm2 8.867
OR
(( segid " " and resid "12 " and name "HA "))
(( segid " " and resid "85 " and name "HN "))
ASSI
(( segid " " and resid "5 " and name "HD21")
OR
( segid " " and resid "5 " and name "HD23")
OR
( segid " " and resid "5 " and name "HD22"))
(( segid " " and resid "28 " and name "HG "))
3.100 1.200 1.200 peak 670 volume 0.127E+08 ppm1 -0.836 ppm2 1.988
OR
(( segid " " and resid "5 " and name "HD21")
OR
( segid " " and resid "5 " and name "HD23")
OR
( segid " " and resid "5 " and name "HD22"))
(( segid " " and resid "35 " and name "HE1 ")
OR
( segid " " and resid "35 " and name "HE3 ")
OR
( segid " " and resid "35 " and name "HE2 "))
ASSI
(( segid " " and resid "89 " and name "HB2 "))
(( segid " " and resid "88 " and name "HA "))
2.900 1.100 1.100 peak 682 volume 0.138E+08 ppm1 1.271 ppm2 5.568
OR
(( segid " " and resid "5 " and name "HB2 "))
(( segid " " and resid "6 " and name "HA "))
OR
(( segid " " and resid "89 " and name "HB2 "))
(( segid " " and resid "75 " and name "HA "))
OR
(( segid " " and resid "5 " and name "HB2 "))
(( segid " " and resid "88 " and name "HA "))
ASSI
(( segid " " and resid "99 " and name "HZ3 "))
(( segid " " and resid "29 " and name "HN "))
3.400 1.400 1.400 peak 684 volume 0.101E+08 ppm1 6.472 ppm2 8.460
OR
(( segid " " and resid "38 " and name "HE1 ")
OR
( segid " " and resid "38 " and name "HE2 "))
(( segid " " and resid "29 " and name "HN "))
ASSI
(( segid " " and resid "43 " and name "HA "))
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
3.300 1.400 1.400 peak 688 volume 0.114E+08 ppm1 4.217 ppm2 7.240
OR
(( segid " " and resid "53 " and name "HA "))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
OR
(( segid " " and resid "49 " and name "HD1 "))
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
ASSI
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
(( segid " " and resid "50 " and name "HN "))
3.400 1.400 1.400 peak 693 volume 0.132E+08 ppm1 7.211 ppm2 8.689
OR
(( segid " " and resid "18 " and name "HN "))
(( segid " " and resid "12 " and name "HN "))
ASSI
(( segid " " and resid "75 " and name "HG11")
OR
( segid " " and resid "75 " and name "HG13")
OR
( segid " " and resid "75 " and name "HG12"))
(( segid " " and resid "76 " and name "HA "))
3.000 1.100 1.100 peak 699 volume 0.131E+08 ppm1 0.815 ppm2 5.450
OR
(( segid " " and resid "100 " and name "HD11")
OR
( segid " " and resid "100 " and name "HD13")
OR
( segid " " and resid "100 " and name "HD12"))
(( segid " " and resid "76 " and name "HA "))
ASSI
(( segid " " and resid "74 " and name "HD1 "))
(( segid " " and resid "74 " and name "HD2 "))
3.800 1.800 1.800 peak 709 volume 0.715E+07 ppm1 8.234 ppm2 6.870
OR
(( segid " " and resid "74 " and name "HE1 "))
(( segid " " and resid "74 " and name "HD2 "))
ASSI
(( segid " " and resid "102 " and name "HB1 ")
OR
( segid " " and resid "102 " and name "HB3 ")
OR
( segid " " and resid "102 " and name "HB2 "))
(( segid " " and resid "100 " and name "HN "))
3.100 1.200 1.200 peak 711 volume 0.127E+08 ppm1 1.271 ppm2 8.112
OR
(( segid " " and resid "80 " and name "HD11")
OR
( segid " " and resid "80 " and name "HD13")
OR
( segid " " and resid "80 " and name "HD12"))
(( segid " " and resid "84 " and name "HN "))
OR
(( segid " " and resid "102 " and name "HB1 ")
OR
( segid " " and resid "102 " and name "HB3 ")
OR
( segid " " and resid "102 " and name "HB2 "))
(( segid " " and resid "101 " and name "HN "))
ASSI
(( segid " " and resid "84 " and name "HA "))
(( segid " " and resid "11 " and name "HZ3 "))
3.600 1.600 1.600 peak 721 volume 0.618E+07 ppm1 4.512 ppm2 6.870
OR
(( segid " " and resid "74 " and name "HA "))
(( segid " " and resid "74 " and name "HD2 "))
ASSI
(( segid " " and resid "35 " and name "HG1 "))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
3.300 1.400 1.400 peak 726 volume 0.882E+07 ppm1 1.739 ppm2 7.247
OR
(( segid " " and resid "26 " and name "HB "))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
ASSI
(( segid " " and resid "103 " and name "HG21")
OR
( segid " " and resid "103 " and name "HG23")
OR
( segid " " and resid "103 " and name "HG22"))
(( segid " " and resid "78 " and name "HA "))
3.000 1.100 1.100 peak 730 volume 0.122E+08 ppm1 0.926 ppm2 5.450
OR
(( segid " " and resid "29 " and name "HG11")
OR
( segid " " and resid "29 " and name "HG13")
OR
( segid " " and resid "29 " and name "HG12"))
(( segid " " and resid "28 " and name "HA "))
ASSI
(( segid " " and resid "103 " and name "HG21")
OR
( segid " " and resid "103 " and name "HG23")
OR
( segid " " and resid "103 " and name "HG22"))
(( segid " " and resid "63 " and name "HA "))
2.900 1.100 1.100 peak 733 volume 0.144E+08 ppm1 0.914 ppm2 5.864
OR
(( segid " " and resid "62 " and name "HG21")
OR
( segid " " and resid "62 " and name "HG23")
OR
( segid " " and resid "62 " and name "HG22"))
(( segid " " and resid "63 " and name "HA "))
ASSI
(( segid " " and resid "26 " and name "HG11")
OR
( segid " " and resid "26 " and name "HG13")
OR
( segid " " and resid "26 " and name "HG12"))
(( segid " " and resid "6 " and name "HA "))
3.100 1.200 1.200 peak 735 volume 0.111E+08 ppm1 0.581 ppm2 5.583
OR
(( segid " " and resid "5 " and name "HD11")
OR
( segid " " and resid "5 " and name "HD13")
OR
( segid " " and resid "5 " and name "HD12"))
(( segid " " and resid "88 " and name "HA "))
ASSI
(( segid " " and resid "30 " and name "HN "))
(( segid " " and resid "2 " and name "HN "))
3.500 1.500 1.500 peak 739 volume 0.895E+07 ppm1 8.394 ppm2 8.053
OR
(( segid " " and resid "30 " and name "HN "))
(( segid " " and resid "3 " and name "HN "))
ASSI
(( segid " " and resid "102 " and name "HB1 ")
OR
( segid " " and resid "102 " and name "HB3 ")
OR
( segid " " and resid "102 " and name "HB2 "))
(( segid " " and resid "99 " and name "HN "))
3.300 1.400 1.400 peak 740 volume 0.866E+07 ppm1 1.246 ppm2 8.046
OR
(( segid " " and resid "80 " and name "HD11")
OR
( segid " " and resid "80 " and name "HD13")
OR
( segid " " and resid "80 " and name "HD12"))
(( segid " " and resid "83 " and name "HN "))
ASSI
(( segid " " and resid "99 " and name "HA "))
(( segid " " and resid "103 " and name "HN "))
3.500 1.500 1.500 peak 744 volume 0.746E+07 ppm1 3.810 ppm2 8.467
OR
(( segid " " and resid "96 " and name "HA "))
(( segid " " and resid "97 " and name "HN "))
ASSI
(( segid " " and resid "18 " and name "HB1 ")
OR
( segid " " and resid "18 " and name "HB3 ")
OR
( segid " " and resid "18 " and name "HB2 "))
(( segid " " and resid "9 " and name "HD1 "))
3.500 1.500 1.500 peak 753 volume 0.687E+07 ppm1 0.495 ppm2 8.201
OR
(( segid " " and resid "18 " and name "HB1 ")
OR
( segid " " and resid "18 " and name "HB3 ")
OR
( segid " " and resid "18 " and name "HB2 "))
(( segid " " and resid "9 " and name "HE1 "))
ASSI
(( segid " " and resid "10 " and name "HG1 ")
OR
( segid " " and resid "10 " and name "HG2 "))
(( segid " " and resid "11 " and name "HN "))
3.300 1.400 1.400 peak 759 volume 0.861E+07 ppm1 1.801 ppm2 7.706
OR
(( segid " " and resid "12 " and name "HB1 ")
OR
( segid " " and resid "12 " and name "HB2 "))
(( segid " " and resid "11 " and name "HN "))
ASSI
(( segid " " and resid "43 " and name "HB1 "))
(( segid " " and resid "39 " and name "HN "))
3.400 1.400 1.400 peak 764 volume 0.698E+07 ppm1 4.549 ppm2 10.117
OR
(( segid " " and resid "43 " and name "HB2 "))
(( segid " " and resid "39 " and name "HN "))
ASSI
(( segid " " and resid "80 " and name "HD11")
OR
( segid " " and resid "80 " and name "HD13")
OR
( segid " " and resid "80 " and name "HD12"))
(( segid " " and resid "81 " and name "HN "))
3.200 1.300 1.300 peak 768 volume 0.112E+08 ppm1 1.246 ppm2 9.303
OR
(( segid " " and resid "5 " and name "HB2 "))
(( segid " " and resid "5 " and name "HN "))
ASSI
(( segid " " and resid "78 " and name "HD11")
OR
( segid " " and resid "78 " and name "HD13")
OR
( segid " " and resid "78 " and name "HD12"))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
3.500 1.500 1.500 peak 770 volume 0.758E+07 ppm1 1.062 ppm2 6.722
OR
(( segid " " and resid "80 " and name "HD21")
OR
( segid " " and resid "80 " and name "HD23")
OR
( segid " " and resid "80 " and name "HD22"))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
ASSI
(( segid " " and resid "27 " and name "HB2 "))
(( segid " " and resid "4 " and name "HD1 ")
OR
( segid " " and resid "4 " and name "HD2 "))
3.500 1.500 1.500 peak 778 volume 0.676E+07 ppm1 1.961 ppm2 7.402
OR
(( segid " " and resid "28 " and name "HG "))
(( segid " " and resid "4 " and name "HD1 ")
OR
( segid " " and resid "4 " and name "HD2 "))
ASSI
(( segid " " and resid "7 " and name "HA "))
(( segid " " and resid "89 " and name "HN "))
3.300 1.400 1.400 peak 780 volume 0.103E+08 ppm1 4.993 ppm2 9.606
OR
(( segid " " and resid "87 " and name "HA "))
(( segid " " and resid "76 " and name "HN "))
ASSI
(( segid " " and resid "102 " and name "HB1 ")
OR
( segid " " and resid "102 " and name "HB3 ")
OR
( segid " " and resid "102 " and name "HB2 "))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
3.600 1.600 1.600 peak 781 volume 0.547E+07 ppm1 1.246 ppm2 6.714
OR
(( segid " " and resid "89 " and name "HB2 "))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
OR
(( segid " " and resid "65 " and name "HG11")
OR
( segid " " and resid "65 " and name "HG13")
OR
( segid " " and resid "65 " and name "HG12"))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
OR
(( segid " " and resid "102 " and name "HB1 ")
OR
( segid " " and resid "102 " and name "HB3 ")
OR
( segid " " and resid "102 " and name "HB2 "))
(( segid " " and resid "99 " and name "HH2 "))
OR
(( segid " " and resid "5 " and name "HB2 "))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
ASSI
(( segid " " and resid "29 " and name "HG11")
OR
( segid " " and resid "29 " and name "HG13")
OR
( segid " " and resid "29 " and name "HG12"))
(( segid " " and resid "41 " and name "HA "))
3.200 1.300 1.300 peak 786 volume 0.741E+07 ppm1 0.938 ppm2 2.957
OR
(( segid " " and resid "5 " and name "HG "))
(( segid " " and resid "99 " and name "HB1 "))
OR
(( segid " " and resid "5 " and name "HG "))
(( segid " " and resid "4 " and name "HB2 "))
OR
(( segid " " and resid "67 " and name "HD21")
OR
( segid " " and resid "67 " and name "HD23")
OR
( segid " " and resid "67 " and name "HD22"))
(( segid " " and resid "73 " and name "HE1 ")
OR
( segid " " and resid "73 " and name "HE2 "))
ASSI
(( segid " " and resid "35 " and name "HB1 ")
OR
( segid " " and resid "35 " and name "HB2 "))
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
3.300 1.400 1.400 peak 789 volume 0.915E+07 ppm1 1.518 ppm2 7.247
OR
(( segid " " and resid "5 " and name "HB1 "))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
OR
(( segid " " and resid "35 " and name "HB1 ")
OR
( segid " " and resid "35 " and name "HB2 "))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
OR
(( segid " " and resid "48 " and name "HG11"))
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
ASSI
(( segid " " and resid "74 " and name "HB1 ")
OR
( segid " " and resid "74 " and name "HB2 "))
(( segid " " and resid "74 " and name "HD1 "))
3.500 1.500 1.500 peak 793 volume 0.607E+07 ppm1 2.750 ppm2 8.231
OR
(( segid " " and resid "93 " and name "HB2 "))
(( segid " " and resid "93 " and name "HN "))
ASSI
(( segid " " and resid "85 " and name "HN "))
(( segid " " and resid "86 " and name "HN "))
3.300 1.400 1.400 peak 799 volume 0.130E+08 ppm1 8.887 ppm2 9.266
OR
(( segid " " and resid "88 " and name "HN "))
(( segid " " and resid "78 " and name "HN "))
ASSI
(( segid " " and resid "49 " and name "HD1 "))
(( segid " " and resid "38 " and name "HE1 ")
OR
( segid " " and resid "38 " and name "HE2 "))
3.500 1.500 1.500 peak 812 volume 0.681E+07 ppm1 4.229 ppm2 6.470
OR
(( segid " " and resid "43 " and name "HA "))
(( segid " " and resid "38 " and name "HE1 ")
OR
( segid " " and resid "38 " and name "HE2 "))
ASSI
(( segid " " and resid "79 " and name "HG1 "))
(( segid " " and resid "85 " and name "HA "))
3.200 1.300 1.300 peak 817 volume 0.781E+07 ppm1 1.715 ppm2 5.701
OR
(( segid " " and resid "79 " and name "HB2 "))
(( segid " " and resid "85 " and name "HA "))
ASSI
(( segid " " and resid "100 " and name "HG21")
OR
( segid " " and resid "100 " and name "HG23")
OR
( segid " " and resid "100 " and name "HG22"))
(( segid " " and resid "104 " and name "HB1 "))
3.100 1.200 1.200 peak 822 volume 0.957E+07 ppm1 0.815 ppm2 4.037
OR
(( segid " " and resid "44 " and name "HB1 ")
OR
( segid " " and resid "44 " and name "HB3 ")
OR
( segid " " and resid "44 " and name "HB2 "))
(( segid " " and resid "45 " and name "HA "))
ASSI
(( segid " " and resid "95 " and name "HG1 ")
OR
( segid " " and resid "95 " and name "HG2 "))
(( segid " " and resid "98 " and name "HN "))
3.400 1.400 1.400 peak 823 volume 0.723E+07 ppm1 2.540 ppm2 8.297
OR
(( segid " " and resid "95 " and name "HG1 ")
OR
( segid " " and resid "95 " and name "HG2 "))
(( segid " " and resid "94 " and name "HN "))
ASSI
(( segid " " and resid "42 " and name "HN "))
(( segid " " and resid "45 " and name "HN "))
3.700 1.700 1.700 peak 827 volume 0.695E+07 ppm1 8.037 ppm2 7.639
OR
(( segid " " and resid "13 " and name "HN "))
(( segid " " and resid "16 " and name "HN "))
ASSI
(( segid " " and resid "29 " and name "HG11")
OR
( segid " " and resid "29 " and name "HG13")
OR
( segid " " and resid "29 " and name "HG12"))
(( segid " " and resid "45 " and name "HN "))
3.300 1.400 1.400 peak 831 volume 0.884E+07 ppm1 0.926 ppm2 7.632
OR
(( segid " " and resid "5 " and name "HG "))
(( segid " " and resid "6 " and name "HN "))
ASSI
(( segid " " and resid "44 " and name "HN "))
(( segid " " and resid "42 " and name "HN "))
3.600 1.600 1.600 peak 836 volume 0.756E+07 ppm1 7.606 ppm2 8.068
OR
(( segid " " and resid "45 " and name "HN "))
(( segid " " and resid "42 " and name "HN "))
ASSI
(( segid " " and resid "28 " and name "HA "))
(( segid " " and resid "99 " and name "HH2 "))
3.700 1.700 1.700 peak 839 volume 0.592E+07 ppm1 5.449 ppm2 6.714
OR
(( segid " " and resid "78 " and name "HA "))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
OR
(( segid " " and resid "76 " and name "HA "))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
ASSI
(( segid " " and resid "30 " and name "HD11")
OR
( segid " " and resid "30 " and name "HD13")
OR
( segid " " and resid "30 " and name "HD12"))
(( segid " " and resid "104 " and name "HN "))
3.500 1.500 1.500 peak 842 volume 0.692E+07 ppm1 0.803 ppm2 8.231
OR
(( segid " " and resid "58 " and name "HD21")
OR
( segid " " and resid "58 " and name "HD23")
OR
( segid " " and resid "58 " and name "HD22"))
(( segid " " and resid "104 " and name "HN "))
OR
(( segid " " and resid "100 " and name "HG21")
OR
( segid " " and resid "100 " and name "HG23")
OR
( segid " " and resid "100 " and name "HG22"))
(( segid " " and resid "104 " and name "HN "))
OR
(( segid " " and resid "58 " and name "HD11")
OR
( segid " " and resid "58 " and name "HD13")
OR
( segid " " and resid "58 " and name "HD12"))
(( segid " " and resid "104 " and name "HN "))
ASSI
(( segid " " and resid "29 " and name "HB "))
(( segid " " and resid "30 " and name "HN "))
3.500 1.500 1.500 peak 850 volume 0.608E+07 ppm1 2.035 ppm2 8.401
OR
(( segid " " and resid "2 " and name "HB2 "))
(( segid " " and resid "30 " and name "HN "))
ASSI
(( segid " " and resid "11 " and name "HE1 "))
(( segid " " and resid "12 " and name "HN "))
3.800 1.800 1.800 peak 855 volume 0.598E+07 ppm1 10.107 ppm2 8.682
OR
(( segid " " and resid "39 " and name "HN "))
(( segid " " and resid "50 " and name "HN "))
OR
(( segid " " and resid "39 " and name "HN "))
(( segid " " and resid "43 " and name "HN "))
ASSI
(( segid " " and resid "104 " and name "HN "))
(( segid " " and resid "102 " and name "HN "))
3.400 1.400 1.400 peak 860 volume 0.107E+08 ppm1 8.234 ppm2 7.935
OR
(( segid " " and resid "19 " and name "HN "))
(( segid " " and resid "20 " and name "HN "))
ASSI
(( segid " " and resid "88 " and name "HD1 ")
OR
( segid " " and resid "88 " and name "HD2 "))
(( segid " " and resid "87 " and name "HN "))
3.900 1.900 1.900 peak 861 volume 0.522E+07 ppm1 6.866 ppm2 8.822
OR
(( segid " " and resid "74 " and name "HD2 "))
(( segid " " and resid "74 " and name "HN "))
ASSI
(( segid " " and resid "8 " and name "HG2 "))
(( segid " " and resid "23 " and name "HE3 "))
3.600 1.600 1.600 peak 873 volume 0.566E+07 ppm1 0.113 ppm2 6.944
OR
(( segid " " and resid "8 " and name "HB1 "))
(( segid " " and resid "23 " and name "HE3 "))
ASSI
(( segid " " and resid "78 " and name "HB1 "))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
3.400 1.400 1.400 peak 877 volume 0.796E+07 ppm1 2.380 ppm2 6.714
OR
(( segid " " and resid "96 " and name "HG1 "))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
ASSI
(( segid " " and resid "78 " and name "HD11")
OR
( segid " " and resid "78 " and name "HD13")
OR
( segid " " and resid "78 " and name "HD12"))
(( segid " " and resid "61 " and name "HN "))
3.400 1.400 1.400 peak 883 volume 0.746E+07 ppm1 1.086 ppm2 7.432
OR
(( segid " " and resid "80 " and name "HD21")
OR
( segid " " and resid "80 " and name "HD23")
OR
( segid " " and resid "80 " and name "HD22"))
(( segid " " and resid "61 " and name "HN "))
ASSI
(( segid " " and resid "79 " and name "HN "))
(( segid " " and resid "86 " and name "HN "))
3.600 1.600 1.600 peak 885 volume 0.844E+07 ppm1 9.516 ppm2 9.259
OR
(( segid " " and resid "79 " and name "HN "))
(( segid " " and resid "78 " and name "HN "))
ASSI
(( segid " " and resid "11 " and name "HE3 "))
(( segid " " and resid "84 " and name "HN "))
3.800 1.800 1.800 peak 889 volume 0.561E+07 ppm1 7.495 ppm2 8.105
OR
(( segid " " and resid "92 " and name "HN "))
(( segid " " and resid "96 " and name "HN "))
OR
(( segid " " and resid "46 " and name "HN "))
(( segid " " and resid "48 " and name "HN "))
ASSI
(( segid " " and resid "100 " and name "HD11")
OR
( segid " " and resid "100 " and name "HD13")
OR
( segid " " and resid "100 " and name "HD12"))
(( segid " " and resid "97 " and name "HB1 "))
3.300 1.400 1.400 peak 895 volume 0.552E+07 ppm1 0.815 ppm2 2.913
OR
(( segid " " and resid "75 " and name "HG11")
OR
( segid " " and resid "75 " and name "HG13")
OR
( segid " " and resid "75 " and name "HG12"))
(( segid " " and resid "69 " and name "HB2 "))
ASSI
(( segid " " and resid "12 " and name "HA "))
(( segid " " and resid "11 " and name "HH2 "))
3.500 1.500 1.500 peak 907 volume 0.785E+07 ppm1 4.660 ppm2 7.173
OR
(( segid " " and resid "56 " and name "HA "))
(( segid " " and resid "37 " and name "HE1 ")
OR
( segid " " and resid "37 " and name "HE2 "))
OR
(( segid " " and resid "55 " and name "HA "))
(( segid " " and resid "37 " and name "HE1 ")
OR
( segid " " and resid "37 " and name "HE2 "))
ASSI
(( segid " " and resid "63 " and name "HG "))
(( segid " " and resid "78 " and name "HA "))
3.400 1.400 1.400 peak 912 volume 0.855E+07 ppm1 1.900 ppm2 5.442
OR
(( segid " " and resid "63 " and name "HG "))
(( segid " " and resid "76 " and name "HA "))
ASSI
(( segid " " and resid "76 " and name "HB1 "))
(( segid " " and resid "75 " and name "HA "))
3.500 1.500 1.500 peak 913 volume 0.608E+07 ppm1 3.107 ppm2 5.568
OR
(( segid " " and resid "40 " and name "HB1 ")
OR
( segid " " and resid "40 " and name "HB2 "))
(( segid " " and resid "27 " and name "HD1 ")
OR
( segid " " and resid "27 " and name "HD2 "))
ASSI
(( segid " " and resid "37 " and name "HB1 ")
OR
( segid " " and resid "37 " and name "HB2 "))
(( segid " " and resid "54 " and name "HN "))
3.300 1.400 1.400 peak 918 volume 0.792E+07 ppm1 2.614 ppm2 7.876
OR
(( segid " " and resid "53 " and name "HG1 ")
OR
( segid " " and resid "53 " and name "HG2 "))
(( segid " " and resid "54 " and name "HN "))
ASSI
(( segid " " and resid "98 " and name "HN "))
(( segid " " and resid "99 " and name "HD1 "))
3.900 1.900 1.900 peak 959 volume 0.564E+07 ppm1 8.296 ppm2 7.240
OR
(( segid " " and resid "53 " and name "HN "))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
ASSI
(( segid " " and resid "5 " and name "HG "))
(( segid " " and resid "4 " and name "HN "))
3.600 1.600 1.600 peak 966 volume 0.528E+07 ppm1 0.926 ppm2 8.852
OR
(( segid " " and resid "29 " and name "HG11")
OR
( segid " " and resid "29 " and name "HG13")
OR
( segid " " and resid "29 " and name "HG12"))
(( segid " " and resid "4 " and name "HN "))
ASSI
(( segid " " and resid "23 " and name "HH2 "))
(( segid " " and resid "89 " and name "HN "))
3.700 1.700 1.700 peak 984 volume 0.748E+07 ppm1 6.423 ppm2 9.606
OR
(( segid " " and resid "23 " and name "HH2 "))
(( segid " " and resid "76 " and name "HN "))
ASSI
(( segid " " and resid "58 " and name "HD21")
OR
( segid " " and resid "58 " and name "HD23")
OR
( segid " " and resid "58 " and name "HD22"))
(( segid " " and resid "37 " and name "HE1 ")
OR
( segid " " and resid "37 " and name "HE2 "))
3.600 1.600 1.600 peak 996 volume 0.576E+07 ppm1 0.778 ppm2 7.188
OR
(( segid " " and resid "17 " and name "HG2 "))
(( segid " " and resid "18 " and name "HN "))
ASSI
(( segid " " and resid "103 " and name "HN "))
(( segid " " and resid "105 " and name "HN "))
3.600 1.600 1.600 peak 1001 volume 0.804E+07 ppm1 8.468 ppm2 7.521
OR
(( segid " " and resid "56 " and name "HN "))
(( segid " " and resid "37 " and name "HN "))
ASSI
(( segid " " and resid "13 " and name "HN "))
(( segid " " and resid "14 " and name "HD2 "))
3.800 1.800 1.800 peak 1023 volume 0.687E+07 ppm1 8.037 ppm2 7.129
OR
(( segid " " and resid "99 " and name "HN "))
(( segid " " and resid "99 " and name "HE3 "))
ASSI
(( segid " " and resid "8 " and name "HG1 "))
(( segid " " and resid "8 " and name "HN "))
3.400 1.400 1.400 peak 1041 volume 0.646E+07 ppm1 0.285 ppm2 8.852
OR
(( segid " " and resid "8 " and name "HG1 "))
(( segid " " and resid "87 " and name "HN "))
ASSI
(( segid " " and resid "77 " and name "HG1 ")
OR
( segid " " and resid "77 " and name "HG2 "))
(( segid " " and resid "76 " and name "HD1 ")
OR
( segid " " and resid "76 " and name "HD2 "))
3.700 1.700 1.700 peak 1055 volume 0.515E+07 ppm1 1.481 ppm2 7.040
OR
(( segid " " and resid "78 " and name "HB2 "))
(( segid " " and resid "76 " and name "HD1 ")
OR
( segid " " and resid "76 " and name "HD2 "))
ASSI
(( segid " " and resid "28 " and name "HA "))
(( segid " " and resid "99 " and name "HZ3 "))
3.600 1.600 1.600 peak 1064 volume 0.531E+07 ppm1 5.461 ppm2 6.463
OR
(( segid " " and resid "28 " and name "HA "))
(( segid " " and resid "38 " and name "HE1 ")
OR
( segid " " and resid "38 " and name "HE2 "))
ASSI
(( segid " " and resid "88 " and name "HE1 ")
OR
( segid " " and resid "88 " and name "HE2 "))
(( segid " " and resid "37 " and name "HE1 ")
OR
( segid " " and resid "37 " and name "HE2 "))
2.200 0.600 0.600 peak 1097 volume 0.176E+09 ppm1 6.546 ppm2 7.173
OR
(( segid " " and resid "88 " and name "HZ "))
(( segid " " and resid "37 " and name "HE1 ")
OR
( segid " " and resid "37 " and name "HE2 "))
OR
(( segid " " and resid "37 " and name "HZ "))
(( segid " " and resid "37 " and name "HE1 ")
OR
( segid " " and resid "37 " and name "HE2 "))
ASSI
(( segid " " and resid "99 " and name "HN "))
(( segid " " and resid "100 " and name "HN "))
2.500 0.800 0.800 peak 1106 volume 0.654E+08 ppm1 8.025 ppm2 8.112
OR
(( segid " " and resid "83 " and name "HN "))
(( segid " " and resid "84 " and name "HN "))
ASSI
(( segid " " and resid "26 " and name "HG11")
OR
( segid " " and resid "26 " and name "HG13")
OR
( segid " " and resid "26 " and name "HG12"))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
2.500 0.800 0.800 peak 1121 volume 0.537E+08 ppm1 0.569 ppm2 7.247
OR
(( segid " " and resid "5 " and name "HD11")
OR
( segid " " and resid "5 " and name "HD13")
OR
( segid " " and resid "5 " and name "HD12"))
(( segid " " and resid "99 " and name "HD1 "))
ASSI
(( segid " " and resid "100 " and name "HB "))
(( segid " " and resid "100 " and name "HN "))
2.200 0.600 0.600 peak 1122 volume 0.836E+08 ppm1 1.690 ppm2 8.105
OR
(( segid " " and resid "100 " and name "HB "))
(( segid " " and resid "101 " and name "HN "))
ASSI
(( segid " " and resid "6 " and name "HB2 "))
(( segid " " and resid "6 " and name "HN "))
2.300 0.700 0.700 peak 1123 volume 0.783E+08 ppm1 2.775 ppm2 7.602
OR
(( segid " " and resid "44 " and name "HA "))
(( segid " " and resid "44 " and name "HN "))
ASSI
(( segid " " and resid "13 " and name "HN "))
(( segid " " and resid "12 " and name "HN "))
2.500 0.800 0.800 peak 1128 volume 0.721E+08 ppm1 8.049 ppm2 8.682
OR
(( segid " " and resid "42 " and name "HN "))
(( segid " " and resid "43 " and name "HN "))
ASSI
(( segid " " and resid "82 " and name "HB1 ")
OR
( segid " " and resid "82 " and name "HB2 "))
(( segid " " and resid "82 " and name "HN "))
2.500 0.800 0.800 peak 1153 volume 0.395E+08 ppm1 2.713 ppm2 7.750
OR
(( segid " " and resid "51 " and name "HB2 "))
(( segid " " and resid "52 " and name "HN "))
ASSI
(( segid " " and resid "93 " and name "HA "))
(( segid " " and resid "93 " and name "HN "))
2.700 0.900 0.900 peak 1161 volume 0.313E+08 ppm1 4.352 ppm2 8.231
OR
(( segid " " and resid "104 " and name "HA "))
(( segid " " and resid "104 " and name "HN "))
ASSI
(( segid " " and resid "28 " and name "HB2 "))
(( segid " " and resid "29 " and name "HN "))
2.500 0.800 0.800 peak 1166 volume 0.399E+08 ppm1 2.195 ppm2 8.467
OR
(( segid " " and resid "96 " and name "HB1 ")
OR
( segid " " and resid "96 " and name "HB2 "))
(( segid " " and resid "97 " and name "HN "))
ASSI
(( segid " " and resid "86 " and name "HB2 "))
(( segid " " and resid "87 " and name "HN "))
2.500 0.800 0.800 peak 1171 volume 0.444E+08 ppm1 1.998 ppm2 8.844
OR
(( segid " " and resid "86 " and name "HB2 "))
(( segid " " and resid "8 " and name "HN "))
ASSI
(( segid " " and resid "89 " and name "HG1 ")
OR
( segid " " and resid "89 " and name "HG2 "))
(( segid " " and resid "6 " and name "HN "))
2.700 0.900 0.900 peak 1182 volume 0.275E+08 ppm1 2.701 ppm2 7.609
OR
(( segid " " and resid "89 " and name "HB1 "))
(( segid " " and resid "6 " and name "HN "))
ASSI
(( segid " " and resid "75 " and name "HG21")
OR
( segid " " and resid "75 " and name "HG23")
OR
( segid " " and resid "75 " and name "HG22"))
(( segid " " and resid "69 " and name "HE1 ")
OR
( segid " " and resid "69 " and name "HE2 "))
2.800 1.000 1.000 peak 1193 volume 0.278E+08 ppm1 0.778 ppm2 6.788
OR
(( segid " " and resid "8 " and name "HD1 "))
(( segid " " and resid "69 " and name "HE1 ")
OR
( segid " " and resid "69 " and name "HE2 "))
ASSI
(( segid " " and resid "67 " and name "HN "))
(( segid " " and resid "66 " and name "HN "))
3.000 1.100 1.100 peak 1195 volume 0.257E+08 ppm1 7.988 ppm2 8.726
OR
(( segid " " and resid "34 " and name "HN "))
(( segid " " and resid "31 " and name "HN "))
ASSI
(( segid " " and resid "56 " and name "HG21")
OR
( segid " " and resid "56 " and name "HG23")
OR
( segid " " and resid "56 " and name "HG22"))
(( segid " " and resid "86 " and name "HE1 ")
OR
( segid " " and resid "86 " and name "HE2 "))
3.000 1.100 1.100 peak 1197 volume 0.188E+08 ppm1 1.000 ppm2 6.064
OR
(( segid " " and resid "78 " and name "HD21")
OR
( segid " " and resid "78 " and name "HD23")
OR
( segid " " and resid "78 " and name "HD22"))
(( segid " " and resid "86 " and name "HE1 ")
OR
( segid " " and resid "86 " and name "HE2 "))
ASSI
(( 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 "2 " and name "HN "))
2.800 1.000 1.000 peak 1199 volume 0.239E+08 ppm1 0.889 ppm2 8.053
OR
(( segid " " and resid "103 " and name "HD11")
OR
( segid " " and resid "103 " and name "HD13")
OR
( segid " " and resid "103 " and name "HD12"))
(( segid " " and resid "99 " and name "HN "))
OR
(( segid " " and resid "44 " and name "HB1 ")
OR
( segid " " and resid "44 " and name "HB3 ")
OR
( segid " " and resid "44 " and name "HB2 "))
(( segid " " and resid "42 " and name "HN "))
OR
(( segid " " and resid "29 " and name "HG11")
OR
( segid " " and resid "29 " and name "HG13")
OR
( segid " " and resid "29 " and name "HG12"))
(( segid " " and resid "3 " and name "HN "))
OR
(( 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 "3 " and name "HN "))
OR
(( segid " " and resid "44 " and name "HB1 ")
OR
( segid " " and resid "44 " and name "HB3 ")
OR
( segid " " and resid "44 " and name "HB2 "))
(( segid " " and resid "3 " and name "HN "))
ASSI
(( segid " " and resid "96 " and name "HB1 ")
OR
( segid " " and resid "96 " and name "HB2 "))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
2.800 1.000 1.000 peak 1205 volume 0.233E+08 ppm1 2.208 ppm2 6.714
OR
(( segid " " and resid "28 " and name "HB2 "))
(( segid " " and resid "99 " and name "HH2 "))
ASSI
(( segid " " and resid "97 " and name "HA "))
(( segid " " and resid "100 " and name "HN "))
2.900 1.100 1.100 peak 1208 volume 0.234E+08 ppm1 4.352 ppm2 8.105
OR
(( segid " " and resid "97 " and name "HA "))
(( segid " " and resid "101 " and name "HN "))
OR
(( segid " " and resid "93 " and name "HA "))
(( segid " " and resid "96 " and name "HN "))
ASSI
(( segid " " and resid "58 " and name "HD11")
OR
( segid " " and resid "58 " and name "HD13")
OR
( segid " " and resid "58 " and name "HD12"))
(( segid " " and resid "58 " and name "HN "))
2.800 1.000 1.000 peak 1216 volume 0.246E+08 ppm1 0.803 ppm2 8.771
OR
(( segid " " and resid "58 " and name "HD21")
OR
( segid " " and resid "58 " and name "HD23")
OR
( segid " " and resid "58 " and name "HD22"))
(( segid " " and resid "58 " and name "HN "))
ASSI
(( segid " " and resid "66 " and name "HB1 ")
OR
( segid " " and resid "66 " and name "HB3 ")
OR
( segid " " and resid "66 " and name "HB2 "))
(( segid " " and resid "69 " and name "HN "))
2.900 1.100 1.100 peak 1219 volume 0.197E+08 ppm1 1.357 ppm2 7.787
OR
(( segid " " and resid "72 " and name "HB1 ")
OR
( segid " " and resid "72 " and name "HB2 "))
(( segid " " and resid "69 " and name "HN "))
ASSI
(( segid " " and resid "8 " and name "HE2 "))
(( segid " " and resid "10 " and name "HN "))
2.800 1.000 1.000 peak 1226 volume 0.204E+08 ppm1 2.405 ppm2 8.068
OR
(( segid " " and resid "86 " and name "HB1 "))
(( segid " " and resid "10 " and name "HN "))
ASSI
(( segid " " and resid "73 " and name "HG2 "))
(( segid " " and resid "74 " and name "HN "))
2.700 0.900 0.900 peak 1237 volume 0.262E+08 ppm1 1.333 ppm2 8.837
OR
(( segid " " and resid "87 " and name "HG "))
(( segid " " and resid "87 " and name "HN "))
ASSI
(( segid " " and resid "67 " and name "HD21")
OR
( segid " " and resid "67 " and name "HD23")
OR
( segid " " and resid "67 " and name "HD22"))
(( segid " " and resid "67 " and name "HN "))
3.000 1.100 1.100 peak 1242 volume 0.183E+08 ppm1 0.988 ppm2 8.016
OR
(( segid " " and resid "67 " and name "HD11")
OR
( segid " " and resid "67 " and name "HD13")
OR
( segid " " and resid "67 " and name "HD12"))
(( segid " " and resid "67 " and name "HN "))
ASSI
(( segid " " and resid "77 " and name "HB2 "))
(( segid " " and resid "78 " and name "HN "))
2.800 1.000 1.000 peak 1246 volume 0.216E+08 ppm1 1.752 ppm2 9.251
OR
(( segid " " and resid "79 " and name "HB2 "))
(( segid " " and resid "86 " and name "HN "))
OR
(( segid " " and resid "77 " and name "HD1 ")
OR
( segid " " and resid "77 " and name "HD2 "))
(( segid " " and resid "78 " and name "HN "))
ASSI
(( segid " " and resid "24 " and name "HB1 "))
(( segid " " and resid "23 " and name "HN "))
2.900 1.100 1.100 peak 1255 volume 0.164E+08 ppm1 3.107 ppm2 8.556
OR
(( segid " " and resid "23 " and name "HB1 "))
(( segid " " and resid "23 " and name "HN "))
ASSI
(( segid " " and resid "6 " and name "HB1 "))
(( segid " " and resid "7 " and name "HN "))
2.900 1.100 1.100 peak 1262 volume 0.170E+08 ppm1 2.910 ppm2 9.725
OR
(( segid " " and resid "24 " and name "HB2 "))
(( segid " " and resid "7 " and name "HN "))
ASSI
(( segid " " and resid "8 " and name "HE1 "))
(( segid " " and resid "23 " and name "HZ2 "))
2.900 1.100 1.100 peak 1274 volume 0.148E+08 ppm1 2.701 ppm2 7.025
OR
(( segid " " and resid "99 " and name "HB2 "))
(( segid " " and resid "76 " and name "HD1 ")
OR
( segid " " and resid "76 " and name "HD2 "))
OR
(( segid " " and resid "89 " and name "HB1 "))
(( segid " " and resid "23 " and name "HZ2 "))
OR
(( segid " " and resid "74 " and name "HB1 ")
OR
( segid " " and resid "74 " and name "HB2 "))
(( segid " " and resid "76 " and name "HD1 ")
OR
( segid " " and resid "76 " and name "HD2 "))
OR
(( segid " " and resid "89 " and name "HG1 ")
OR
( segid " " and resid "89 " and name "HG2 "))
(( segid " " and resid "23 " and name "HZ2 "))
ASSI
(( segid " " and resid "67 " and name "HD11")
OR
( segid " " and resid "67 " and name "HD13")
OR
( segid " " and resid "67 " and name "HD12"))
(( segid " " and resid "74 " and name "HE1 "))
3.300 1.400 1.400 peak 1277 volume 0.955E+07 ppm1 1.012 ppm2 8.231
OR
(( segid " " and resid "67 " and name "HD11")
OR
( segid " " and resid "67 " and name "HD13")
OR
( segid " " and resid "67 " and name "HD12"))
(( segid " " and resid "74 " and name "HD1 "))
ASSI
(( segid " " and resid "100 " and name "HG21")
OR
( segid " " and resid "100 " and name "HG23")
OR
( segid " " and resid "100 " and name "HG22"))
(( segid " " and resid "63 " and name "HB2 "))
2.800 1.000 1.000 peak 1285 volume 0.162E+08 ppm1 0.790 ppm2 2.647
OR
(( 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 "HB2 "))
ASSI
(( segid " " and resid "30 " and name "HB "))
(( segid " " and resid "32 " and name "HN "))
3.100 1.200 1.200 peak 1287 volume 0.114E+08 ppm1 1.665 ppm2 9.259
OR
(( segid " " and resid "10 " and name "HB1 "))
(( segid " " and resid "86 " and name "HN "))
OR
(( segid " " and resid "78 " and name "HG "))
(( segid " " and resid "78 " and name "HN "))
OR
(( segid " " and resid "79 " and name "HG1 "))
(( segid " " and resid "86 " and name "HN "))
ASSI
(( segid " " and resid "85 " and name "HN "))
(( segid " " and resid "10 " and name "HN "))
3.500 1.500 1.500 peak 1292 volume 0.960E+07 ppm1 8.850 ppm2 8.053
OR
(( segid " " and resid "4 " and name "HN "))
(( segid " " and resid "3 " and name "HN "))
OR
(( segid " " and resid "87 " and name "HN "))
(( segid " " and resid "10 " and name "HN "))
ASSI
(( segid " " and resid "70 " and name "HB1 ")
OR
( segid " " and resid "70 " and name "HB2 "))
(( segid " " and resid "69 " and name "HE1 ")
OR
( segid " " and resid "69 " and name "HE2 "))
3.200 1.300 1.300 peak 1295 volume 0.112E+08 ppm1 1.838 ppm2 6.774
OR
(( segid " " and resid "39 " and name "HD2 "))
(( segid " " and resid "50 " and name "HD1 ")
OR
( segid " " and resid "50 " and name "HD2 "))
ASSI
(( segid " " and resid "19 " and name "HB1 ")
OR
( segid " " and resid "19 " and name "HB2 "))
(( segid " " and resid "20 " and name "HN "))
3.200 1.300 1.300 peak 1299 volume 0.107E+08 ppm1 3.822 ppm2 7.935
OR
(( segid " " and resid "98 " and name "HA "))
(( segid " " and resid "102 " and name "HN "))
OR
(( segid " " and resid "99 " and name "HA "))
(( segid " " and resid "102 " and name "HN "))
ASSI
(( segid " " and resid "24 " and name "HE1 "))
(( segid " " and resid "24 " and name "HD2 "))
3.600 1.600 1.600 peak 1305 volume 0.629E+07 ppm1 8.111 ppm2 6.855
OR
(( segid " " and resid "84 " and name "HN "))
(( segid " " and resid "11 " and name "HZ3 "))
ASSI
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
(( segid " " and resid "29 " and name "HN "))
3.500 1.500 1.500 peak 1310 volume 0.971E+07 ppm1 7.248 ppm2 8.467
OR
(( segid " " and resid "106 " and name "HN "))
(( segid " " and resid "103 " and name "HN "))
ASSI
(( segid " " and resid "7 " and name "HA "))
(( segid " " and resid "88 " and name "HD1 ")
OR
( segid " " and resid "88 " and name "HD2 "))
3.500 1.500 1.500 peak 1315 volume 0.750E+07 ppm1 5.005 ppm2 6.885
OR
(( segid " " and resid "87 " and name "HA "))
(( segid " " and resid "88 " and name "HD1 ")
OR
( segid " " and resid "88 " and name "HD2 "))
ASSI
(( segid " " and resid "89 " and name "HB2 "))
(( segid " " and resid "90 " and name "HN "))
3.200 1.300 1.300 peak 1316 volume 0.108E+08 ppm1 1.283 ppm2 8.889
OR
(( segid " " and resid "80 " and name "HD11")
OR
( segid " " and resid "80 " and name "HD13")
OR
( segid " " and resid "80 " and name "HD12"))
(( segid " " and resid "85 " and name "HN "))
ASSI
(( segid " " and resid "67 " and name "HG "))
(( segid " " and resid "68 " and name "HN "))
3.300 1.400 1.400 peak 1320 volume 0.774E+07 ppm1 1.715 ppm2 8.815
OR
(( segid " " and resid "35 " and name "HG2 "))
(( segid " " and resid "57 " and name "HN "))
OR
(( segid " " and resid "35 " and name "HG1 "))
(( segid " " and resid "57 " and name "HN "))
ASSI
(( segid " " and resid "88 " and name "HE1 ")
OR
( segid " " and resid "88 " and name "HE2 "))
(( segid " " and resid "76 " and name "HZ "))
4.000 2.000 2.000 peak 1321 volume 0.587E+07 ppm1 6.546 ppm2 6.219
OR
(( segid " " and resid "88 " and name "HZ "))
(( segid " " and resid "76 " and name "HZ "))
ASSI
(( segid " " and resid "70 " and name "HD1 "))
(( segid " " and resid "70 " and name "HN "))
3.600 1.600 1.600 peak 1323 volume 0.519E+07 ppm1 1.592 ppm2 8.179
OR
(( segid " " and resid "70 " and name "HD2 "))
(( segid " " and resid "70 " and name "HN "))
ASSI
(( segid " " and resid "59 " and name "HN "))
(( segid " " and resid "82 " and name "HN "))
3.800 1.800 1.800 peak 1346 volume 0.569E+07 ppm1 7.889 ppm2 7.750
OR
(( segid " " and resid "54 " and name "HN "))
(( segid " " and resid "52 " and name "HN "))
ASSI
(( segid " " and resid "104 " and name "HB2 "))
(( segid " " and resid "104 " and name "HN "))
2.500 0.800 0.800 peak 1377 volume 0.484E+08 ppm1 4.007 ppm2 8.223
OR
(( segid " " and resid "101 " and name "HA "))
(( segid " " and resid "104 " and name "HN "))
ASSI
(( segid " " and resid "96 " and name "HB1 ")
OR
( segid " " and resid "96 " and name "HB2 "))
(( segid " " and resid "96 " and name "HN "))
2.500 0.800 0.800 peak 1380 volume 0.419E+08 ppm1 2.208 ppm2 8.105
OR
(( segid " " and resid "95 " and name "HB2 "))
(( segid " " and resid "96 " and name "HN "))
ASSI
(( segid " " and resid "78 " and name "HB2 "))
(( segid " " and resid "78 " and name "HN "))
2.400 0.700 0.700 peak 1386 volume 0.510E+08 ppm1 1.468 ppm2 9.259
OR
(( segid " " and resid "77 " and name "HG1 ")
OR
( segid " " and resid "77 " and name "HG2 "))
(( segid " " and resid "78 " and name "HN "))
ASSI
(( segid " " and resid "73 " and name "HG1 "))
(( segid " " and resid "73 " and name "HE1 ")
OR
( segid " " and resid "73 " and name "HE2 "))
2.600 0.800 0.800 peak 1390 volume 0.236E+08 ppm1 1.592 ppm2 2.965
OR
(( segid " " and resid "16 " and name "HD1 ")
OR
( segid " " and resid "16 " and name "HD2 "))
(( segid " " and resid "16 " and name "HE1 ")
OR
( segid " " and resid "16 " and name "HE2 "))
ASSI
(( segid " " and resid "102 " and name "HB1 ")
OR
( segid " " and resid "102 " and name "HB3 ")
OR
( segid " " and resid "102 " and name "HB2 "))
(( segid " " and resid "99 " and name "HE3 "))
2.700 0.900 0.900 peak 1413 volume 0.331E+08 ppm1 1.271 ppm2 7.136
OR
(( segid " " and resid "71 " and name "HD1 ")
OR
( segid " " and resid "71 " and name "HD2 "))
(( segid " " and resid "72 " and name "HN "))
ASSI
(( segid " " and resid "85 " and name "HB2 "))
(( segid " " and resid "86 " and name "HN "))
2.700 0.900 0.900 peak 1429 volume 0.280E+08 ppm1 2.023 ppm2 9.266
OR
(( segid " " and resid "86 " and name "HB2 "))
(( segid " " and resid "78 " and name "HN "))
OR
(( segid " " and resid "86 " and name "HB2 "))
(( segid " " and resid "86 " and name "HN "))
ASSI
(( segid " " and resid "7 " and name "HB1 ")
OR
( segid " " and resid "7 " and name "HB2 "))
(( segid " " and resid "24 " and name "HB2 "))
3.100 1.200 1.200 peak 1433 volume 0.821E+07 ppm1 1.542 ppm2 2.935
OR
(( segid " " and resid "71 " and name "HB1 ")
OR
( segid " " and resid "71 " and name "HB2 "))
(( segid " " and resid "71 " and name "HE1 ")
OR
( segid " " and resid "71 " and name "HE2 "))
ASSI
(( segid " " and resid "48 " and name "HN "))
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
3.400 1.400 1.400 peak 1457 volume 0.135E+08 ppm1 8.099 ppm2 7.247
OR
(( segid " " and resid "96 " and name "HN "))
(( segid " " and resid "99 " and name "HD1 "))
ASSI
(( segid " " and resid "98 " and name "HG21")
OR
( segid " " and resid "98 " and name "HG23")
OR
( segid " " and resid "98 " and name "HG22"))
(( segid " " and resid "101 " and name "HN "))
3.100 1.200 1.200 peak 1461 volume 0.136E+08 ppm1 1.012 ppm2 8.105
OR
(( segid " " and resid "98 " and name "HG1 "))
(( segid " " and resid "96 " and name "HN "))
OR
(( segid " " and resid "98 " and name "HG21")
OR
( segid " " and resid "98 " and name "HG23")
OR
( segid " " and resid "98 " and name "HG22"))
(( segid " " and resid "100 " and name "HN "))
OR
(( segid " " and resid "54 " and name "HG21")
OR
( segid " " and resid "54 " and name "HG23")
OR
( segid " " and resid "54 " and name "HG22"))
(( segid " " and resid "51 " and name "HD1 "))
OR
(( segid " " and resid "48 " and name "HG21")
OR
( segid " " and resid "48 " and name "HG23")
OR
( segid " " and resid "48 " and name "HG22"))
(( segid " " and resid "48 " and name "HN "))
ASSI
(( segid " " and resid "26 " and name "HA "))
(( segid " " and resid "4 " and name "HE1 ")
OR
( segid " " and resid "4 " and name "HE2 "))
3.100 1.200 1.200 peak 1465 volume 0.158E+08 ppm1 4.389 ppm2 7.706
OR
(( segid " " and resid "9 " and name "HA "))
(( segid " " and resid "11 " and name "HN "))
ASSI
(( segid " " and resid "39 " and name "HB1 "))
(( segid " " and resid "40 " and name "HN "))
3.200 1.300 1.300 peak 1468 volume 0.109E+08 ppm1 2.121 ppm2 7.447
OR
(( segid " " and resid "85 " and name "HG1 ")
OR
( segid " " and resid "85 " and name "HG2 "))
(( segid " " and resid "11 " and name "HE3 "))
ASSI
(( segid " " and resid "35 " and name "HA "))
(( segid " " and resid "29 " and name "HN "))
3.100 1.200 1.200 peak 1472 volume 0.141E+08 ppm1 5.190 ppm2 8.460
OR
(( segid " " and resid "37 " and name "HA "))
(( segid " " and resid "29 " and name "HN "))
ASSI
(( segid " " and resid "26 " and name "HG11")
OR
( segid " " and resid "26 " and name "HG13")
OR
( segid " " and resid "26 " and name "HG12"))
(( segid " " and resid "5 " and name "HN "))
3.300 1.400 1.400 peak 1474 volume 0.871E+07 ppm1 0.569 ppm2 9.303
OR
(( segid " " and resid "5 " and name "HD11")
OR
( segid " " and resid "5 " and name "HD13")
OR
( segid " " and resid "5 " and name "HD12"))
(( segid " " and resid "5 " and name "HN "))
ASSI
(( segid " " and resid "77 " and name "HG1 ")
OR
( segid " " and resid "77 " and name "HG2 "))
(( segid " " and resid "64 " and name "HN "))
3.100 1.200 1.200 peak 1476 volume 0.133E+08 ppm1 1.456 ppm2 8.711
OR
(( segid " " and resid "30 " and name "HG11")
OR
( segid " " and resid "30 " and name "HG12"))
(( segid " " and resid "31 " and name "HN "))
ASSI
(( segid " " and resid "28 " and name "HG "))
(( segid " " and resid "37 " and name "HE1 ")
OR
( segid " " and resid "37 " and name "HE2 "))
3.300 1.400 1.400 peak 1477 volume 0.126E+08 ppm1 2.011 ppm2 7.166
OR
(( segid " " and resid "35 " and name "HE1 ")
OR
( segid " " and resid "35 " and name "HE3 ")
OR
( segid " " and resid "35 " and name "HE2 "))
(( segid " " and resid "37 " and name "HE1 ")
OR
( segid " " and resid "37 " and name "HE2 "))
ASSI
(( segid " " and resid "41 " and name "HA "))
(( segid " " and resid "4 " and name "HE1 ")
OR
( segid " " and resid "4 " and name "HE2 "))
3.500 1.500 1.500 peak 1481 volume 0.692E+07 ppm1 2.947 ppm2 7.713
OR
(( segid " " and resid "4 " and name "HB2 "))
(( segid " " and resid "4 " and name "HE1 ")
OR
( segid " " and resid "4 " and name "HE2 "))
ASSI
(( segid " " and resid "62 " and name "HG21")
OR
( segid " " and resid "62 " and name "HG23")
OR
( segid " " and resid "62 " and name "HG22"))
(( segid " " and resid "79 " and name "HN "))
3.200 1.300 1.300 peak 1485 volume 0.113E+08 ppm1 0.914 ppm2 9.518
OR
(( segid " " and resid "103 " and name "HG21")
OR
( segid " " and resid "103 " and name "HG23")
OR
( segid " " and resid "103 " and name "HG22"))
(( segid " " and resid "79 " and name "HN "))
ASSI
(( segid " " and resid "76 " and name "HB1 "))
(( segid " " and resid "65 " and name "HN "))
3.300 1.400 1.400 peak 1491 volume 0.892E+07 ppm1 3.132 ppm2 8.978
OR
(( segid " " and resid "24 " and name "HB1 "))
(( segid " " and resid "25 " and name "HN "))
ASSI
(( segid " " and resid "86 " and name "HD1 ")
OR
( segid " " and resid "86 " and name "HD2 "))
(( segid " " and resid "10 " and name "HN "))
3.700 1.700 1.700 peak 1505 volume 0.625E+07 ppm1 6.459 ppm2 8.061
OR
(( segid " " and resid "99 " and name "HZ3 "))
(( segid " " and resid "3 " and name "HN "))
ASSI
(( segid " " and resid "39 " and name "HG2 "))
(( segid " " and resid "40 " and name "HN "))
3.400 1.400 1.400 peak 1514 volume 0.672E+07 ppm1 1.616 ppm2 7.454
OR
(( segid " " and resid "10 " and name "HB2 "))
(( segid " " and resid "11 " and name "HE3 "))
OR
(( segid " " and resid "79 " and name "HG2 "))
(( segid " " and resid "11 " and name "HE3 "))
ASSI
(( segid " " and resid "94 " and name "HB1 "))
(( segid " " and resid "92 " and name "HN "))
3.500 1.500 1.500 peak 1524 volume 0.543E+07 ppm1 2.109 ppm2 7.491
OR
(( segid " " and resid "101 " and name "HB1 ")
OR
( segid " " and resid "101 " and name "HB2 "))
(( segid " " and resid "105 " and name "HN "))
ASSI
(( segid " " and resid "59 " and name "HB2 "))
(( segid " " and resid "60 " and name "HN "))
3.600 1.600 1.600 peak 1525 volume 0.523E+07 ppm1 1.752 ppm2 9.421
OR
(( segid " " and resid "59 " and name "HD1 "))
(( segid " " and resid "60 " and name "HN "))
ASSI
(( segid " " and resid "75 " and name "HA "))
(( segid " " and resid "69 " and name "HD1 ")
OR
( segid " " and resid "69 " and name "HD2 "))
3.800 1.800 1.800 peak 1526 volume 0.518E+07 ppm1 5.584 ppm2 7.269
OR
(( segid " " and resid "88 " and name "HA "))
(( segid " " and resid "69 " and name "HD1 ")
OR
( segid " " and resid "69 " and name "HD2 "))
OR
(( segid " " and resid "6 " and name "HA "))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
OR
(( segid " " and resid "27 " and name "HD1 ")
OR
( segid " " and resid "27 " and name "HD2 "))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
ASSI
(( segid " " and resid "84 " and name "HN "))
(( segid " " and resid "82 " and name "HN "))
2.600 0.800 0.800 peak 1560 volume 0.570E+08 ppm1 8.099 ppm2 7.750
OR
(( segid " " and resid "51 " and name "HD1 "))
(( segid " " and resid "52 " and name "HN "))
ASSI
(( segid " " and resid "78 " and name "HD21")
OR
( segid " " and resid "78 " and name "HD23")
OR
( segid " " and resid "78 " and name "HD22"))
(( segid " " and resid "86 " and name "HD1 ")
OR
( segid " " and resid "86 " and name "HD2 "))
2.400 0.700 0.700 peak 1562 volume 0.611E+08 ppm1 1.000 ppm2 6.433
OR
(( segid " " and resid "87 " and name "HB2 "))
(( segid " " and resid "23 " and name "HH2 "))
ASSI
(( segid " " and resid "48 " and name "HB "))
(( segid " " and resid "47 " and name "HN "))
2.700 0.900 0.900 peak 1577 volume 0.313E+08 ppm1 1.949 ppm2 7.713
OR
(( segid " " and resid "27 " and name "HB2 "))
(( segid " " and resid "4 " and name "HE1 ")
OR
( segid " " and resid "4 " and name "HE2 "))
OR
(( segid " " and resid "12 " and name "HG1 "))
(( segid " " and resid "11 " and name "HN "))
ASSI
(( segid " " and resid "28 " and name "HG "))
(( segid " " and resid "37 " and name "HD1 ")
OR
( segid " " and resid "37 " and name "HD2 "))
3.200 1.300 1.300 peak 1591 volume 0.155E+08 ppm1 2.011 ppm2 7.247
OR
(( segid " " and resid "29 " and name "HB "))
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
ASSI
(( segid " " and resid "86 " and name "HD1 ")
OR
( segid " " and resid "86 " and name "HD2 "))
(( segid " " and resid "87 " and name "HN "))
3.200 1.300 1.300 peak 1602 volume 0.186E+08 ppm1 6.423 ppm2 8.852
OR
(( segid " " and resid "86 " and name "HD1 ")
OR
( segid " " and resid "86 " and name "HD2 "))
(( segid " " and resid "85 " and name "HN "))
OR
(( segid " " and resid "27 " and name "HE1 ")
OR
( segid " " and resid "27 " and name "HE2 "))
(( segid " " and resid "4 " and name "HN "))
OR
(( segid " " and resid "86 " and name "HD1 ")
OR
( segid " " and resid "86 " and name "HD2 "))
(( segid " " and resid "8 " and name "HN "))
ASSI
(( segid " " and resid "48 " and name "HB "))
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
3.100 1.200 1.200 peak 1603 volume 0.137E+08 ppm1 1.949 ppm2 7.247
OR
(( segid " " and resid "39 " and name "HB2 "))
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
OR
(( segid " " and resid "27 " and name "HB2 "))
(( segid " " and resid "38 " and name "HD1 ")
OR
( segid " " and resid "38 " and name "HD2 "))
ASSI
(( segid " " and resid "73 " and name "HD1 ")
OR
( segid " " and resid "73 " and name "HD2 "))
(( segid " " and resid "73 " and name "HE1 ")
OR
( segid " " and resid "73 " and name "HE2 "))
2.700 0.900 0.900 peak 1605 volume 0.176E+08 ppm1 1.259 ppm2 2.950
OR
(( segid " " and resid "71 " and name "HD1 ")
OR
( segid " " and resid "71 " and name "HD2 "))
(( segid " " and resid "71 " and name "HE1 ")
OR
( segid " " and resid "71 " and name "HE2 "))
ASSI
(( segid " " and resid "78 " and name "HG "))
(( segid " " and resid "88 " and name "HE1 ")
OR
( segid " " and resid "88 " and name "HE2 "))
3.100 1.200 1.200 peak 1611 volume 0.127E+08 ppm1 1.665 ppm2 6.537
OR
(( segid " " and resid "39 " and name "HG1 "))
(( segid " " and resid "50 " and name "HE1 ")
OR
( segid " " and resid "50 " and name "HE2 "))
ASSI
(( segid " " and resid "78 " and name "HD21")
OR
( segid " " and resid "78 " and name "HD23")
OR
( segid " " and resid "78 " and name "HD22"))
(( segid " " and resid "78 " and name "HN "))
3.200 1.300 1.300 peak 1617 volume 0.117E+08 ppm1 1.000 ppm2 9.259
OR
(( segid " " and resid "87 " and name "HB2 "))
(( segid " " and resid "78 " and name "HN "))
OR
(( segid " " and resid "78 " and name "HD21")
OR
( segid " " and resid "78 " and name "HD23")
OR
( segid " " and resid "78 " and name "HD22"))
(( segid " " and resid "86 " and name "HN "))
ASSI
(( segid " " and resid "91 " and name "HB1 "))
(( segid " " and resid "92 " and name "HN "))
3.000 1.100 1.100 peak 1620 volume 0.136E+08 ppm1 1.974 ppm2 7.491
OR
(( segid " " and resid "103 " and name "HB "))
(( segid " " and resid "105 " and name "HN "))
ASSI
(( segid " " and resid "26 " and name "HB "))
(( segid " " and resid "50 " and name "HE1 ")
OR
( segid " " and resid "50 " and name "HE2 "))
3.200 1.300 1.300 peak 1622 volume 0.111E+08 ppm1 1.727 ppm2 6.537
OR
(( segid " " and resid "35 " and name "HG1 "))
(( segid " " and resid "37 " and name "HZ "))
OR
(( segid " " and resid "39 " and name "HG1 "))
(( segid " " and resid "50 " and name "HE1 ")
OR
( segid " " and resid "50 " and name "HE2 "))
ASSI
(( segid " " and resid "86 " and name "HN "))
(( segid " " and resid "87 " and name "HN "))
3.400 1.400 1.400 peak 1626 volume 0.110E+08 ppm1 9.282 ppm2 8.852
OR
(( segid " " and resid "5 " and name "HN "))
(( segid " " and resid "4 " and name "HN "))
OR
(( segid " " and resid "86 " and name "HN "))
(( segid " " and resid "85 " and name "HN "))
OR
(( segid " " and resid "78 " and name "HN "))
(( segid " " and resid "87 " and name "HN "))
ASSI
(( segid " " and resid "14 " and name "HN "))
(( segid " " and resid "14 " and name "HD2 "))
3.700 1.700 1.700 peak 1627 volume 0.816E+07 ppm1 8.468 ppm2 7.129
OR
(( segid " " and resid "103 " and name "HN "))
(( segid " " and resid "99 " and name "HE3 "))
ASSI
(( segid " " and resid "80 " and name "HD21")
OR
( segid " " and resid "80 " and name "HD23")
OR
( segid " " and resid "80 " and name "HD22"))
(( segid " " and resid "86 " and name "HN "))
3.300 1.400 1.400 peak 1631 volume 0.983E+07 ppm1 1.062 ppm2 9.259
OR
(( segid " " and resid "78 " and name "HD11")
OR
( segid " " and resid "78 " and name "HD13")
OR
( segid " " and resid "78 " and name "HD12"))
(( segid " " and resid "78 " and name "HN "))
OR
(( segid " " and resid "78 " and name "HD11")
OR
( segid " " and resid "78 " and name "HD13")
OR
( segid " " and resid "78 " and name "HD12"))
(( segid " " and resid "86 " and name "HN "))
ASSI
(( segid " " and resid "86 " and name "HN "))
(( segid " " and resid "85 " and name "HN "))
3.500 1.500 1.500 peak 1635 volume 0.923E+07 ppm1 9.232 ppm2 8.889
OR
(( segid " " and resid "91 " and name "HN "))
(( segid " " and resid "90 " and name "HN "))
ASSI
(( segid " " and resid "13 " and name "HN "))
(( segid " " and resid "11 " and name "HE3 "))
3.700 1.700 1.700 peak 1643 volume 0.751E+07 ppm1 8.049 ppm2 7.447
OR
(( segid " " and resid "42 " and name "HN "))
(( segid " " and resid "40 " and name "HN "))
ASSI
(( segid " " and resid "85 " and name "HB1 "))
(( segid " " and resid "85 " and name "HN "))
3.300 1.400 1.400 peak 1647 volume 0.886E+07 ppm1 2.319 ppm2 8.874
OR
(( segid " " and resid "34 " and name "HG1 ")
OR
( segid " " and resid "34 " and name "HG2 "))
(( segid " " and resid "35 " and name "HN "))
ASSI
(( segid " " and resid "92 " and name "HB1 ")
OR
( segid " " and resid "92 " and name "HB2 "))
(( segid " " and resid "91 " and name "HN "))
3.500 1.500 1.500 peak 1653 volume 0.550E+07 ppm1 2.614 ppm2 9.236
OR
(( segid " " and resid "31 " and name "HB2 "))
(( segid " " and resid "32 " and name "HN "))
ASSI
(( segid " " and resid "37 " and name "HA "))
(( segid " " and resid "27 " and name "HN "))
3.600 1.600 1.600 peak 1659 volume 0.556E+07 ppm1 5.178 ppm2 9.103
OR
(( segid " " and resid "4 " and name "HA "))
(( segid " " and resid "27 " and name "HN "))
ASSI
(( segid " " and resid "66 " and name "HB1 ")
OR
( segid " " and resid "66 " and name "HB3 ")
OR
( segid " " and resid "66 " and name "HB2 "))
(( segid " " and resid "23 " and name "HZ2 "))
3.300 1.400 1.400 peak 1662 volume 0.515E+07 ppm1 1.345 ppm2 7.018
OR
(( segid " " and resid "87 " and name "HG "))
(( segid " " and resid "23 " and name "HZ2 "))
ASSI
(( segid " " and resid "28 " and name "HN "))
(( segid " " and resid "37 " and name "HE1 ")
OR
( segid " " and resid "37 " and name "HE2 "))
3.900 1.900 1.900 peak 1664 volume 0.518E+07 ppm1 8.505 ppm2 7.166
OR
(( segid " " and resid "56 " and name "HN "))
(( segid " " and resid "37 " and name "HE1 ")
OR
( segid " " and resid "37 " and name "HE2 "))
ASSI
(( segid " " and resid "87 " and name "HB2 "))
(( segid " " and resid "87 " and name "HN "))
2.400 0.700 0.700 peak 1666 volume 0.593E+08 ppm1 1.012 ppm2 8.852
OR
(( segid " " and resid "87 " and name "HB1 "))
(( segid " " and resid "87 " and name "HN "))
ASSI
(( segid " " and resid "56 " and name "HG21")
OR
( segid " " and resid "56 " and name "HG23")
OR
( segid " " and resid "56 " and name "HG22"))
(( segid " " and resid "57 " and name "HN "))
2.500 0.800 0.800 peak 1668 volume 0.513E+08 ppm1 1.025 ppm2 8.822
OR
(( segid " " and resid "87 " and name "HB1 "))
(( segid " " and resid "87 " and name "HN "))
ASSI
(( segid " " and resid "12 " and name "HG2 "))
(( segid " " and resid "12 " and name "HN "))
2.700 0.900 0.900 peak 1670 volume 0.377E+08 ppm1 1.887 ppm2 8.704
OR
(( segid " " and resid "63 " and name "HG "))
(( segid " " and resid "64 " and name "HN "))
ASSI
(( segid " " and resid "53 " and name "HN "))
(( segid " " and resid "51 " and name "HD1 "))
3.100 1.200 1.200 peak 1671 volume 0.209E+08 ppm1 8.283 ppm2 8.105
OR
(( segid " " and resid "98 " and name "HN "))
(( segid " " and resid "100 " and name "HN "))
OR
(( segid " " and resid "98 " and name "HN "))
(( segid " " and resid "96 " and name "HN "))
OR
(( segid " " and resid "94 " and name "HN "))
(( segid " " and resid "96 " and name "HN "))
ASSI
(( segid " " and resid "39 " and name "HB2 "))
(( segid " " and resid "43 " and name "HN "))
2.800 1.000 1.000 peak 1672 volume 0.246E+08 ppm1 1.937 ppm2 8.682
OR
(( segid " " and resid "12 " and name "HG1 "))
(( segid " " and resid "12 " and name "HN "))
ASSI
(( segid " " and resid "104 " and name "HN "))
(( segid " " and resid "101 " and name "HN "))
3.400 1.400 1.400 peak 1674 volume 0.111E+08 ppm1 8.234 ppm2 8.105
OR
(( segid " " and resid "93 " and name "HN "))
(( segid " " and resid "96 " and name "HN "))
OR
(( segid " " and resid "104 " and name "HN "))
(( segid " " and resid "100 " and name "HN "))
OR
(( segid " " and resid "9 " and name "HD1 "))
(( segid " " and resid "51 " and name "HE1 "))
ASSI
(( segid " " and resid "26 " and name "HA "))
(( segid " " and resid "4 " and name "HD1 ")
OR
( segid " " and resid "4 " and name "HD2 "))
3.000 1.100 1.100 peak 1677 volume 0.206E+08 ppm1 4.414 ppm2 7.417
OR
(( segid " " and resid "58 " and name "HA "))
(( segid " " and resid "61 " and name "HN "))
ASSI
(( segid " " and resid "79 " and name "HG1 "))
(( segid " " and resid "79 " and name "HA "))
2.700 0.900 0.900 peak 1679 volume 0.200E+08 ppm1 1.641 ppm2 5.287
OR
(( segid " " and resid "79 " and name "HG2 "))
(( segid " " and resid "79 " and name "HA "))
ASSI
(( segid " " and resid "39 " and name "HA "))
(( segid " " and resid "40 " and name "HN "))
3.100 1.200 1.200 peak 1681 volume 0.139E+08 ppm1 4.389 ppm2 7.447
OR
(( segid " " and resid "58 " and name "HA "))
(( segid " " and resid "61 " and name "HN "))
ASSI
(( segid " " and resid "13 " and name "HN "))
(( segid " " and resid "11 " and name "HZ3 "))
3.500 1.500 1.500 peak 1693 volume 0.582E+07 ppm1 8.025 ppm2 6.855
OR
(( segid " " and resid "83 " and name "HN "))
(( segid " " and resid "11 " and name "HZ3 "))
ASSI
(( segid " " and resid "78 " and name "HA "))
(( segid " " and resid "63 " and name "HN "))
3.400 1.400 1.400 peak 1698 volume 0.810E+07 ppm1 5.437 ppm2 8.970
OR
(( segid " " and resid "76 " and name "HA "))
(( segid " " and resid "65 " and name "HN "))
ASSI
(( segid " " and resid "101 " and name "HB1 ")
OR
( segid " " and resid "101 " and name "HB2 "))
(( segid " " and resid "102 " and name "HN "))
2.200 0.600 0.600 peak 1705 volume 0.861E+08 ppm1 2.121 ppm2 7.920
OR
(( segid " " and resid "75 " and name "HB "))
(( segid " " and resid "75 " and name "HN "))
ASSI
(( segid " " and resid "82 " and name "HN "))
(( segid " " and resid "83 " and name "HN "))
2.600 0.800 0.800 peak 1707 volume 0.556E+08 ppm1 7.741 ppm2 8.046
OR
(( segid " " and resid "11 " and name "HN "))
(( segid " " and resid "10 " and name "HN "))
ASSI
(( segid " " and resid "10 " and name "HG1 ")
OR
( segid " " and resid "10 " and name "HG2 "))
(( segid " " and resid "10 " and name "HB2 "))
1.500 0.300 0.300 peak 1753 volume 0.530E+09 ppm1 1.776 ppm2 1.596
OR
(( segid " " and resid "67 " and name "HB1 "))
(( segid " " and resid "67 " and name "HB2 "))
ASSI
(( segid " " and resid "15 " and name "HB2 "))
(( segid " " and resid "15 " and name "HB1 "))
1.600 0.300 0.300 peak 1756 volume 0.452E+09 ppm1 2.738 ppm2 2.928
OR
(( segid " " and resid "97 " and name "HB2 "))
(( segid " " and resid "97 " and name "HB1 "))
ASSI
(( segid " " and resid "81 " and name "HB1 "))
(( segid " " and resid "81 " and name "HB2 "))
1.600 0.300 0.300 peak 1758 volume 0.385E+09 ppm1 4.118 ppm2 3.956
OR
(( segid " " and resid "57 " and name "HB1 "))
(( segid " " and resid "57 " and name "HB2 "))
ASSI
(( segid " " and resid "77 " and name "HB1 "))
(( segid " " and resid "77 " and name "HD1 ")
OR
( segid " " and resid "77 " and name "HD2 "))
1.600 0.300 0.300 peak 1760 volume 0.446E+09 ppm1 1.838 ppm2 1.715
OR
(( segid " " and resid "77 " and name "HB1 "))
(( segid " " and resid "77 " and name "HB2 "))
ASSI
(( segid " " and resid "70 " and name "HD2 "))
(( segid " " and resid "70 " and name "HB1 ")
OR
( segid " " and resid "70 " and name "HB2 "))
1.700 0.400 0.400 peak 1767 volume 0.331E+09 ppm1 1.604 ppm2 1.840
OR
(( segid " " and resid "39 " and name "HG2 "))
(( segid " " and resid "39 " and name "HD2 "))
OR
(( segid " " and resid "70 " and name "HD1 "))
(( segid " " and resid "70 " and name "HB1 ")
OR
( segid " " and resid "70 " and name "HB2 "))
ASSI
(( segid " " and resid "100 " and name "HD11")
OR
( segid " " and resid "100 " and name "HD13")
OR
( segid " " and resid "100 " and name "HD12"))
(( segid " " and resid "100 " and name "HB "))
1.700 0.400 0.400 peak 1770 volume 0.315E+09 ppm1 0.803 ppm2 1.685
OR
(( 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 "HB "))
OR
(( segid " " and resid "100 " and name "HG21")
OR
( segid " " and resid "100 " and name "HG23")
OR
( segid " " and resid "100 " and name "HG22"))
(( segid " " and resid "100 " and name "HB "))
ASSI
(( segid " " and resid "91 " and name "HB1 "))
(( segid " " and resid "91 " and name "HG1 ")
OR
( segid " " and resid "91 " and name "HG2 "))
1.700 0.400 0.400 peak 1771 volume 0.314E+09 ppm1 1.949 ppm2 1.678
OR
(( segid " " and resid "91 " and name "HB2 "))
(( segid " " and resid "91 " and name "HG1 ")
OR
( segid " " and resid "91 " and name "HG2 "))
ASSI
(( segid " " and resid "94 " and name "HG1 ")
OR
( segid " " and resid "94 " and name "HG2 "))
(( segid " " and resid "94 " and name "HB1 "))
1.700 0.400 0.400 peak 1773 volume 0.294E+09 ppm1 2.294 ppm2 2.129
OR
(( segid " " and resid "85 " and name "HB1 "))
(( segid " " and resid "85 " and name "HG1 ")
OR
( segid " " and resid "85 " and name "HG2 "))
OR
(( segid " " and resid "34 " and name "HG1 ")
OR
( segid " " and resid "34 " and name "HG2 "))
(( segid " " and resid "34 " and name "HB1 "))
ASSI
(( segid " " and resid "29 " and name "HG11")
OR
( segid " " and resid "29 " and name "HG13")
OR
( segid " " and resid "29 " and name "HG12"))
(( segid " " and resid "29 " and name "HB "))
1.800 0.400 0.400 peak 1775 volume 0.266E+09 ppm1 0.901 ppm2 2.055
OR
(( segid " " and resid "103 " and name "HD11")
OR
( segid " " and resid "103 " and name "HD13")
OR
( segid " " and resid "103 " and name "HD12"))
(( segid " " and resid "103 " and name "HG11"))
ASSI
(( segid " " and resid "55 " and name "HG2 "))
(( segid " " and resid "55 " and name "HB1 ")
OR
( segid " " and resid "55 " and name "HB2 "))
1.700 0.400 0.400 peak 1780 volume 0.250E+09 ppm1 1.937 ppm2 1.619
OR
(( segid " " and resid "39 " and name "HB2 "))
(( segid " " and resid "39 " and name "HG2 "))
OR
(( segid " " and resid "39 " and name "HD1 "))
(( segid " " and resid "39 " and name "HG2 "))
ASSI
(( segid " " and resid "70 " and name "HG1 ")
OR
( segid " " and resid "70 " and name "HG2 "))
(( segid " " and resid "70 " and name "HD2 "))
1.700 0.400 0.400 peak 1782 volume 0.254E+09 ppm1 1.382 ppm2 1.596
OR
(( segid " " and resid "16 " and name "HG1 ")
OR
( segid " " and resid "16 " and name "HG2 "))
(( segid " " and resid "16 " and name "HD1 ")
OR
( segid " " and resid "16 " and name "HD2 "))
OR
(( segid " " and resid "16 " and name "HG1 ")
OR
( segid " " and resid "16 " and name "HG2 "))
(( segid " " and resid "16 " and name "HB2 "))
ASSI
(( segid " " and resid "74 " and name "HA "))
(( segid " " and resid "67 " and name "HA "))
2.000 0.500 0.500 peak 1786 volume 0.129E+09 ppm1 4.537 ppm2 4.207
OR
(( segid " " and resid "43 " and name "HB1 "))
(( segid " " and resid "43 " and name "HA "))
OR
(( segid " " and resid "43 " and name "HB2 "))
(( segid " " and resid "43 " and name "HA "))
ASSI
(( segid " " and resid "35 " and name "HB1 ")
OR
( segid " " and resid "35 " and name "HB2 "))
(( segid " " and resid "35 " and name "HG2 "))
1.800 0.400 0.400 peak 1787 volume 0.236E+09 ppm1 1.505 ppm2 1.678
OR
(( segid " " and resid "78 " and name "HB2 "))
(( segid " " and resid "78 " and name "HG "))
ASSI
(( segid " " and resid "48 " and name "HG11"))
(( segid " " and resid "48 " and name "HD11")
OR
( segid " " and resid "48 " and name "HD13")
OR
( segid " " and resid "48 " and name "HD12"))
2.000 0.500 0.500 peak 1794 volume 0.120E+09 ppm1 1.505 ppm2 0.931
OR
(( segid " " and resid "5 " and name "HB1 "))
(( segid " " and resid "5 " and name "HG "))
ASSI
(( segid " " and resid "76 " and name "HN "))
(( segid " " and resid "75 " and name "HA "))
2.100 0.600 0.600 peak 1797 volume 0.170E+09 ppm1 9.602 ppm2 5.553
OR
(( segid " " and resid "89 " and name "HN "))
(( segid " " and resid "88 " and name "HA "))
ASSI
(( segid " " and resid "71 " and name "HD1 ")
OR
( segid " " and resid "71 " and name "HD2 "))
(( segid " " and resid "71 " and name "HB1 ")
OR
( segid " " and resid "71 " and name "HB2 "))
2.000 0.500 0.500 peak 1862 volume 0.106E+09 ppm1 1.259 ppm2 1.522
OR
(( segid " " and resid "5 " and name "HB2 "))
(( segid " " and resid "5 " and name "HB1 "))
ASSI
(( segid " " and resid "95 " and name "HB2 "))
(( segid " " and resid "90 " and name "HB1 ")
OR
( segid " " and resid "90 " and name "HB3 ")
OR
( segid " " and resid "90 " and name "HB2 "))
2.200 0.600 0.600 peak 1879 volume 0.707E+08 ppm1 2.220 ppm2 1.855
OR
(( segid " " and resid "96 " and name "HB1 ")
OR
( segid " " and resid "96 " and name "HB2 "))
(( segid " " and resid "96 " and name "HE1 ")
OR
( segid " " and resid "96 " and name "HE3 ")
OR
( segid " " and resid "96 " and name "HE2 "))
OR
(( segid " " and resid "96 " and name "HB1 ")
OR
( segid " " and resid "96 " and name "HB2 "))
(( segid " " and resid "90 " and name "HB1 ")
OR
( segid " " and resid "90 " and name "HB3 ")
OR
( segid " " and resid "90 " and name "HB2 "))
ASSI
(( segid " " and resid "5 " and name "HA "))
(( segid " " and resid "5 " and name "HG "))
2.300 0.700 0.700 peak 1891 volume 0.605E+08 ppm1 4.586 ppm2 0.923
OR
(( segid " " and resid "29 " and name "HA "))
(( segid " " and resid "29 " and name "HG11")
OR
( segid " " and resid "29 " and name "HG13")
OR
( segid " " and resid "29 " and name "HG12"))
ASSI
(( segid " " and resid "75 " and name "HG21")
OR
( segid " " and resid "75 " and name "HG23")
OR
( segid " " and resid "75 " and name "HG22"))
(( segid " " and resid "75 " and name "HB "))
2.100 0.600 0.600 peak 1898 volume 0.100E+09 ppm1 0.790 ppm2 2.129
OR
(( segid " " and resid "75 " and name "HG11")
OR
( segid " " and resid "75 " and name "HG13")
OR
( segid " " and resid "75 " and name "HG12"))
(( segid " " and resid "75 " and name "HB "))
ASSI
(( segid " " and resid "55 " and name "HD1 "))
(( segid " " and resid "53 " and name "HA "))
2.500 0.800 0.800 peak 1911 volume 0.342E+08 ppm1 3.958 ppm2 4.222
OR
(( segid " " and resid "81 " and name "HB2 "))
(( segid " " and resid "81 " and name "HA "))
ASSI
(( segid " " and resid "58 " and name "HD11")
OR
( segid " " and resid "58 " and name "HD13")
OR
( segid " " and resid "58 " and name "HD12"))
(( segid " " and resid "35 " and name "HB1 ")
OR
( segid " " and resid "35 " and name "HB2 "))
2.300 0.700 0.700 peak 1918 volume 0.575E+08 ppm1 0.803 ppm2 1.515
OR
(( 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 "35 " and name "HB1 ")
OR
( segid " " and resid "35 " and name "HB2 "))
ASSI
(( segid " " and resid "67 " and name "HD11")
OR
( segid " " and resid "67 " and name "HD13")
OR
( segid " " and resid "67 " and name "HD12"))
(( segid " " and resid "67 " and name "HB2 "))
2.200 0.600 0.600 peak 1924 volume 0.692E+08 ppm1 1.000 ppm2 1.596
OR
(( segid " " and resid "67 " and name "HD21")
OR
( segid " " and resid "67 " and name "HD23")
OR
( segid " " and resid "67 " and name "HD22"))
(( segid " " and resid "67 " and name "HB2 "))
ASSI
(( segid " " and resid "96 " and name "HG2 "))
(( segid " " and resid "96 " and name "HE1 ")
OR
( segid " " and resid "96 " and name "HE3 ")
OR
( segid " " and resid "96 " and name "HE2 "))
2.400 0.700 0.700 peak 1936 volume 0.422E+08 ppm1 2.121 ppm2 1.848
OR
(( segid " " and resid "39 " and name "HB1 "))
(( segid " " and resid "39 " and name "HD2 "))
ASSI
(( segid " " and resid "39 " and name "HB1 "))
(( segid " " and resid "39 " and name "HG1 "))
2.200 0.600 0.600 peak 1949 volume 0.542E+08 ppm1 2.121 ppm2 1.693
OR
(( segid " " and resid "85 " and name "HG1 ")
OR
( segid " " and resid "85 " and name "HG2 "))
(( segid " " and resid "79 " and name "HG1 "))
ASSI
(( segid " " and resid "87 " and name "HA "))
(( segid " " and resid "75 " and name "HG11")
OR
( segid " " and resid "75 " and name "HG13")
OR
( segid " " and resid "75 " and name "HG12"))
2.500 0.800 0.800 peak 1955 volume 0.349E+08 ppm1 4.993 ppm2 0.812
OR
(( segid " " and resid "30 " and name "HA "))
(( segid " " and resid "58 " and name "HD11")
OR
( segid " " and resid "58 " and name "HD13")
OR
( segid " " and resid "58 " and name "HD12"))
OR
(( segid " " and resid "30 " and name "HA "))
(( segid " " and resid "30 " and name "HD11")
OR
( segid " " and resid "30 " and name "HD13")
OR
( segid " " and resid "30 " and name "HD12"))
ASSI
(( segid " " and resid "78 " and name "HB1 "))
(( segid " " and resid "78 " and name "HD11")
OR
( segid " " and resid "78 " and name "HD13")
OR
( segid " " and resid "78 " and name "HD12"))
2.500 0.800 0.800 peak 1974 volume 0.351E+08 ppm1 2.343 ppm2 1.079
OR
(( segid " " and resid "80 " and name "HB1 "))
(( segid " " and resid "80 " and name "HD21")
OR
( segid " " and resid "80 " and name "HD23")
OR
( segid " " and resid "80 " and name "HD22"))
ASSI
(( segid " " and resid "90 " and name "HB1 ")
OR
( segid " " and resid "90 " and name "HB3 ")
OR
( segid " " and resid "90 " and name "HB2 "))
(( segid " " and resid "96 " and name "HB1 ")
OR
( segid " " and resid "96 " and name "HB2 "))
2.300 0.700 0.700 peak 1977 volume 0.463E+08 ppm1 1.850 ppm2 2.218
OR
(( segid " " and resid "90 " and name "HB1 ")
OR
( segid " " and resid "90 " and name "HB3 ")
OR
( segid " " and resid "90 " and name "HB2 "))
(( segid " " and resid "95 " and name "HB2 "))
OR
(( segid " " and resid "96 " and name "HE1 ")
OR
( segid " " and resid "96 " and name "HE3 ")
OR
( segid " " and resid "96 " and name "HE2 "))
(( segid " " and resid "96 " and name "HB1 ")
OR
( segid " " and resid "96 " and name "HB2 "))
ASSI
(( segid " " and resid "31 " and name "HA "))
(( segid " " and resid "31 " and name "HB2 "))
2.400 0.700 0.700 peak 1981 volume 0.384E+08 ppm1 4.808 ppm2 2.624
OR
(( segid " " and resid "92 " and name "HA "))
(( segid " " and resid "92 " and name "HB1 ")
OR
( segid " " and resid "92 " and name "HB2 "))
ASSI
(( segid " " and resid "88 " and name "HN "))
(( segid " " and resid "88 " and name "HA "))
2.600 0.800 0.800 peak 1998 volume 0.428E+08 ppm1 8.887 ppm2 5.561
OR
(( segid " " and resid "8 " and name "HN "))
(( segid " " and resid "88 " and name "HA "))
OR
(( segid " " and resid "90 " and name "HN "))
(( segid " " and resid "75 " and name "HA "))
ASSI
(( segid " " and resid "46 " and name "HB1 "))
(( segid " " and resid "48 " and name "HD11")
OR
( segid " " and resid "48 " and name "HD13")
OR
( segid " " and resid "48 " and name "HD12"))
2.600 0.800 0.800 peak 2001 volume 0.273E+08 ppm1 4.056 ppm2 0.938
OR
(( segid " " and resid "36 " and name "HA1 "))
(( segid " " and resid "29 " and name "HG11")
OR
( segid " " and resid "29 " and name "HG13")
OR
( segid " " and resid "29 " and name "HG12"))
ASSI
(( segid " " and resid "87 " and name "HB1 "))
(( segid " " and resid "87 " and name "HG "))
2.500 0.800 0.800 peak 2002 volume 0.275E+08 ppm1 1.037 ppm2 1.330
OR
(( segid " " and resid "87 " and name "HB2 "))
(( segid " " and resid "87 " and name "HG "))
ASSI
(( segid " " and resid "72 " and name "HB1 ")
OR
( segid " " and resid "72 " and name "HB2 "))
(( segid " " and resid "71 " and name "HD1 ")
OR
( segid " " and resid "71 " and name "HD2 "))
3.200 1.300 1.300 peak 2031 volume 0.741E+07 ppm1 1.419 ppm2 1.278
OR
(( segid " " and resid "106 " and name "HB1 ")
OR
( segid " " and resid "106 " and name "HB3 ")
OR
( segid " " and resid "106 " and name "HB2 "))
(( segid " " and resid "102 " and name "HB1 ")
OR
( segid " " and resid "102 " and name "HB3 ")
OR
( segid " " and resid "102 " and name "HB2 "))
OR
(( segid " " and resid "30 " and name "HG11")
OR
( segid " " and resid "30 " and name "HG12"))
(( segid " " and resid "102 " and name "HB1 ")
OR
( segid " " and resid "102 " and name "HB3 ")
OR
( segid " " and resid "102 " and name "HB2 "))
ASSI
(( segid " " and resid "29 " and name "HN "))
(( segid " " and resid "38 " and name "HE1 ")
OR
( segid " " and resid "38 " and name "HE2 "))
3.200 1.300 1.300 peak 2055 volume 0.161E+08 ppm1 8.456 ppm2 6.463
OR
(( segid " " and resid "29 " and name "HN "))
(( segid " " and resid "99 " and name "HZ3 "))
ASSI
(( segid " " and resid "77 " and name "HE1 ")
OR
( segid " " and resid "77 " and name "HE2 "))
(( segid " " and resid "66 " and name "HB1 ")
OR
( segid " " and resid "66 " and name "HB3 ")
OR
( segid " " and resid "66 " and name "HB2 "))
2.900 1.100 1.100 peak 2101 volume 0.125E+08 ppm1 2.651 ppm2 1.375
OR
(( segid " " and resid "63 " and name "HB2 "))
(( segid " " and resid "61 " and name "HB1 ")
OR
( segid " " and resid "61 " and name "HB3 ")
OR
( segid " " and resid "61 " and name "HB2 "))
ASSI
(( segid " " and resid "78 " and name "HN "))
(( segid " " and resid "88 " and name "HD1 ")
OR
( segid " " and resid "88 " and name "HD2 "))
3.300 1.400 1.400 peak 2108 volume 0.149E+08 ppm1 9.269 ppm2 6.877
OR
(( segid " " and resid "86 " and name "HN "))
(( segid " " and resid "88 " and name "HD1 ")
OR
( segid " " and resid "88 " and name "HD2 "))
ASSI
(( segid " " and resid "15 " and name "HA "))
(( segid " " and resid "17 " and name "HA "))
3.500 1.500 1.500 peak 2124 volume 0.538E+07 ppm1 4.278 ppm2 3.660
OR
(( segid " " and resid "10 " and name "HA "))
(( segid " " and resid "17 " and name "HA "))
ASSI
(( segid " " and resid "96 " and name "HE1 ")
OR
( segid " " and resid "96 " and name "HE3 ")
OR
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(( segid " " and resid "97 " and name "HB1 "))
3.000 1.100 1.100 peak 2129 volume 0.103E+08 ppm1 1.850 ppm2 2.898
OR
(( segid " " and resid "96 " and name "HE1 ")
OR
( segid " " and resid "96 " and name "HE3 ")
OR
( segid " " and resid "96 " and name "HE2 "))
(( segid " " and resid "93 " and name "HB1 "))
ASSI
(( segid " " and resid "66 " and name "HN "))
(( segid " " and resid "76 " and name "HD1 ")
OR
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3.600 1.600 1.600 peak 2132 volume 0.945E+07 ppm1 8.715 ppm2 7.032
OR
(( segid " " and resid "64 " and name "HN "))
(( segid " " and resid "76 " and name "HD1 ")
OR
( segid " " and resid "76 " and name "HD2 "))
ASSI
(( segid " " and resid "88 " and name "HN "))
(( segid " " and resid "76 " and name "HD1 ")
OR
( segid " " and resid "76 " and name "HD2 "))
3.600 1.600 1.600 peak 2141 volume 0.957E+07 ppm1 8.900 ppm2 7.032
OR
(( segid " " and resid "90 " and name "HN "))
(( segid " " and resid "76 " and name "HD1 ")
OR
( segid " " and resid "76 " and name "HD2 "))
ASSI
(( segid " " and resid "93 " and name "HB1 "))
(( segid " " and resid "96 " and name "HE1 ")
OR
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OR
( segid " " and resid "96 " and name "HE2 "))
2.900 1.100 1.100 peak 2149 volume 0.137E+08 ppm1 2.886 ppm2 1.848
OR
(( segid " " and resid "69 " and name "HB2 "))
(( segid " " and resid "70 " and name "HB1 ")
OR
( segid " " and resid "70 " and name "HB2 "))
OR
(( segid " " and resid "97 " and name "HB1 "))
(( segid " " and resid "96 " and name "HE1 ")
OR
( segid " " and resid "96 " and name "HE3 ")
OR
( segid " " and resid "96 " and name "HE2 "))
ASSI
(( segid " " and resid "45 " and name "HB1 ")
OR
( segid " " and resid "45 " and name "HB3 ")
OR
( segid " " and resid "45 " and name "HB2 "))
(( segid " " and resid "44 " and name "HB1 ")
OR
( segid " " and resid "44 " and name "HB3 ")
OR
( segid " " and resid "44 " and name "HB2 "))
3.000 1.100 1.100 peak 2151 volume 0.112E+08 ppm1 1.456 ppm2 0.864
OR
(( segid " " and resid "78 " and name "HB2 "))
(( segid " " and resid "103 " and name "HD11")
OR
( segid " " and resid "103 " and name "HD13")
OR
( segid " " and resid "103 " and name "HD12"))
OR
(( segid " " and resid "30 " and name "HG11")
OR
( segid " " and resid "30 " and name "HG12"))
(( segid " " and resid "29 " and name "HG21")
OR
( segid " " and resid "29 " and name "HG23")
OR
( segid " " and resid "29 " and name "HG22"))
ASSI
(( segid " " and resid "78 " and name "HN "))
(( segid " " and resid "88 " and name "HE1 ")
OR
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3.500 1.500 1.500 peak 2169 volume 0.104E+08 ppm1 9.269 ppm2 6.544
OR
(( segid " " and resid "86 " and name "HN "))
(( segid " " and resid "88 " and name "HE1 ")
OR
( segid " " and resid "88 " and name "HE2 "))
ASSI
(( segid " " and resid "38 " and name "HB2 "))
(( segid " " and resid "48 " and name "HB "))
3.000 1.100 1.100 peak 2188 volume 0.914E+07 ppm1 2.812 ppm2 1.944
OR
(( segid " " and resid "38 " and name "HB2 "))
(( segid " " and resid "39 " and name "HB2 "))
OR
(( segid " " and resid "38 " and name "HB2 "))
(( segid " " and resid "27 " and name "HB2 "))
ASSI
(( segid " " and resid "8 " and name "HA "))
(( segid " " and resid "8 " and name "HG2 "))
3.000 1.100 1.100 peak 2189 volume 0.117E+08 ppm1 3.921 ppm2 0.095
OR
(( segid " " and resid "8 " and name "HA "))
(( segid " " and resid "8 " and name "HB1 "))
ASSI
(( segid " " and resid "94 " and name "HG1 ")
OR
( segid " " and resid "94 " and name "HG2 "))
(( segid " " and resid "93 " and name "HB1 "))
3.000 1.100 1.100 peak 2195 volume 0.101E+08 ppm1 2.232 ppm2 2.891
OR
(( segid " " and resid "96 " and name "HB1 ")
OR
( segid " " and resid "96 " and name "HB2 "))
(( segid " " and resid "93 " and name "HB1 "))
OR
(( segid " " and resid "96 " and name "HB1 ")
OR
( segid " " and resid "96 " and name "HB2 "))
(( segid " " and resid "97 " and name "HB1 "))
ASSI
(( segid " " and resid "28 " and name "HB2 "))
(( segid " " and resid "35 " and name "HB1 ")
OR
( segid " " and resid "35 " and name "HB2 "))
3.000 1.100 1.100 peak 2197 volume 0.985E+07 ppm1 2.232 ppm2 1.522
OR
(( segid " " and resid "60 " and name "HB1 ")
OR
( segid " " and resid "60 " and name "HB2 "))
(( segid " " and resid "59 " and name "HG1 "))
OR
(( segid " " and resid "28 " and name "HB2 "))
(( segid " " and resid "5 " and name "HB1 "))
ASSI
(( segid " " and resid "59 " and name "HE1 ")
OR
( segid " " and resid "59 " and name "HE2 "))
(( segid " " and resid "59 " and name "HB1 "))
3.100 1.200 1.200 peak 2199 volume 0.756E+07 ppm1 2.996 ppm2 1.855
OR
(( segid " " and resid "70 " and name "HE1 ")
OR
( segid " " and resid "70 " and name "HE2 "))
(( segid " " and resid "70 " and name "HB1 ")
OR
( segid " " and resid "70 " and name "HB2 "))
ASSI
(( segid " " and resid "34 " and name "HG1 ")
OR
( segid " " and resid "34 " and name "HG2 "))
(( segid " " and resid "55 " and name "HB1 ")
OR
( segid " " and resid "55 " and name "HB2 "))
3.000 1.100 1.100 peak 2203 volume 0.868E+07 ppm1 2.294 ppm2 1.611
OR
(( segid " " and resid "85 " and name "HB1 "))
(( segid " " and resid "10 " and name "HB2 "))
OR
(( segid " " and resid "85 " and name "HB1 "))
(( segid " " and resid "79 " and name "HG2 "))
OR
(( segid " " and resid "54 " and name "HB "))
(( segid " " and resid "55 " and name "HB1 ")
OR
( segid " " and resid "55 " and name "HB2 "))
ASSI
(( segid " " and resid "72 " and name "HA "))
(( segid " " and resid "71 " and name "HA "))
3.200 1.300 1.300 peak 2208 volume 0.860E+07 ppm1 4.401 ppm2 3.904
OR
(( segid " " and resid "9 " and name "HA "))
(( segid " " and resid "8 " and name "HA "))
ASSI
(( segid " " and resid "61 " and name "HB1 ")
OR
( segid " " and resid "61 " and name "HB3 ")
OR
( segid " " and resid "61 " and name "HB2 "))
(( segid " " and resid "35 " and name "HE1 ")
OR
( segid " " and resid "35 " and name "HE3 ")
OR
( segid " " and resid "35 " and name "HE2 "))
3.200 1.300 1.300 peak 2209 volume 0.757E+07 ppm1 1.345 ppm2 1.996
OR
(( segid " " and resid "87 " and name "HG "))
(( segid " " and resid "86 " and name "HB2 "))
OR
(( segid " " and resid "61 " and name "HB1 ")
OR
( segid " " and resid "61 " and name "HB3 ")
OR
( segid " " and resid "61 " and name "HB2 "))
(( segid " " and resid "103 " and name "HB "))
ASSI
(( segid " " and resid "30 " and name "HD11")
OR
( segid " " and resid "30 " and name "HD13")
OR
( segid " " and resid "30 " and name "HD12"))
(( segid " " and resid "5 " and name "HD21")
OR
( segid " " and resid "5 " and name "HD23")
OR
( segid " " and resid "5 " and name "HD22"))
3.300 1.400 1.400 peak 2220 volume 0.697E+07 ppm1 0.815 ppm2 -0.844
OR
(( segid " " and resid "58 " and name "HD21")
OR
( segid " " and resid "58 " and name "HD23")
OR
( segid " " and resid "58 " and name "HD22"))
(( segid " " and resid "5 " and name "HD21")
OR
( segid " " and resid "5 " and name "HD23")
OR
( segid " " and resid "5 " and name "HD22"))
OR
(( segid " " and resid "58 " and name "HD11")
OR
( segid " " and resid "58 " and name "HD13")
OR
( segid " " and resid "58 " and name "HD12"))
(( segid " " and resid "5 " and name "HD21")
OR
( segid " " and resid "5 " and name "HD23")
OR
( segid " " and resid "5 " and name "HD22"))
OR
(( 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 "5 " and name "HD21")
OR
( segid " " and resid "5 " and name "HD23")
OR
( segid " " and resid "5 " and name "HD22"))
ASSI
(( segid " " and resid "95 " and name "HG1 ")
OR
( segid " " and resid "95 " and name "HG2 "))
(( segid " " and resid "98 " and name "HG21")
OR
( segid " " and resid "98 " and name "HG23")
OR
( segid " " and resid "98 " and name "HG22"))
3.400 1.400 1.400 peak 2228 volume 0.558E+07 ppm1 2.540 ppm2 1.042
OR
(( segid " " and resid "95 " and name "HG1 ")
OR
( segid " " and resid "95 " and name "HG2 "))
(( segid " " and resid "98 " and name "HG1 "))
ASSI
(( segid " " and resid "11 " and name "HB2 "))
(( segid " " and resid "85 " and name "HB1 "))
3.100 1.200 1.200 peak 2243 volume 0.716E+07 ppm1 2.886 ppm2 2.284
OR
(( segid " " and resid "97 " and name "HB1 "))
(( segid " " and resid "94 " and name "HG1 ")
OR
( segid " " and resid "94 " and name "HG2 "))
OR
(( segid " " and resid "93 " and name "HB1 "))
(( segid " " and resid "94 " and name "HG1 ")
OR
( segid " " and resid "94 " and name "HG2 "))
ASSI
(( segid " " and resid "29 " and name "HN "))
(( segid " " and resid "35 " and name "HA "))
3.300 1.400 1.400 peak 2265 volume 0.938E+07 ppm1 8.493 ppm2 5.191
OR
(( segid " " and resid "29 " and name "HN "))
(( segid " " and resid "37 " and name "HA "))
OR
(( segid " " and resid "28 " and name "HN "))
(( segid " " and resid "4 " and name "HA "))
ASSI
(( segid " " and resid "38 " and name "HA "))
(( segid " " and resid "27 " and name "HB2 "))
3.400 1.400 1.400 peak 2278 volume 0.507E+07 ppm1 4.968 ppm2 1.944
OR
(( segid " " and resid "38 " and name "HA "))
(( segid " " and resid "48 " and name "HB "))
OR
(( segid " " and resid "38 " and name "HA "))
(( segid " " and resid "39 " and name "HB2 "))
ASSI
(( segid " " and resid "76 " and name "HN "))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
3.800 1.800 1.800 peak 2303 volume 0.671E+07 ppm1 9.590 ppm2 6.714
OR
(( segid " " and resid "89 " and name "HN "))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
ASSI
(( segid " " and resid "16 " and name "HA "))
(( segid " " and resid "17 " and name "HG2 "))
3.400 1.400 1.400 peak 2319 volume 0.611E+07 ppm1 4.648 ppm2 0.805
OR
(( segid " " and resid "57 " and name "HA "))
(( segid " " and resid "58 " and name "HD21")
OR
( segid " " and resid "58 " and name "HD23")
OR
( segid " " and resid "58 " and name "HD22"))
OR
(( segid " " and resid "56 " and name "HA "))
(( segid " " and resid "58 " and name "HD21")
OR
( segid " " and resid "58 " and name "HD23")
OR
( segid " " and resid "58 " and name "HD22"))
ASSI
(( segid " " and resid "99 " and name "HB1 "))
(( segid " " and resid "99 " and name "HB2 "))
1.500 0.300 0.300 peak 2358 volume 0.504E+09 ppm1 2.922 ppm2 2.735
OR
(( segid " " and resid "97 " and name "HB1 "))
(( segid " " and resid "97 " and name "HB2 "))
OR
(( segid " " and resid "93 " and name "HB1 "))
(( segid " " and resid "93 " and name "HB2 "))
OR
(( segid " " and resid "15 " and name "HB1 "))
(( segid " " and resid "15 " and name "HB2 "))
ASSI
(( segid " " and resid "59 " and name "HB2 "))
(( segid " " and resid "59 " and name "HG1 "))
1.700 0.400 0.400 peak 2363 volume 0.256E+09 ppm1 1.739 ppm2 1.515
OR
(( segid " " and resid "59 " and name "HD1 "))
(( segid " " and resid "59 " and name "HG1 "))
OR
(( segid " " and resid "35 " and name "HG1 "))
(( segid " " and resid "35 " and name "HB1 ")
OR
( segid " " and resid "35 " and name "HB2 "))
ASSI
(( segid " " and resid "39 " and name "HD2 "))
(( segid " " and resid "39 " and name "HD1 "))
1.700 0.400 0.400 peak 2366 volume 0.281E+09 ppm1 1.838 ppm2 1.959
OR
(( segid " " and resid "12 " and name "HG2 "))
(( segid " " and resid "12 " and name "HG1 "))
ASSI
(( segid " " and resid "80 " and name "HD21")
OR
( segid " " and resid "80 " and name "HD23")
OR
( segid " " and resid "80 " and name "HD22"))
(( segid " " and resid "58 " and name "HD21")
OR
( segid " " and resid "58 " and name "HD23")
OR
( segid " " and resid "58 " and name "HD22"))
2.000 0.500 0.500 peak 2377 volume 0.131E+09 ppm1 1.074 ppm2 0.790
OR
(( segid " " and resid "17 " and name "HD1 ")
OR
( segid " " and resid "17 " and name "HD2 "))
(( segid " " and resid "17 " and name "HG2 "))
ASSI
(( segid " " and resid "62 " and name "HG12"))
(( segid " " and resid "62 " and name "HG21")
OR
( segid " " and resid "62 " and name "HG23")
OR
( segid " " and resid "62 " and name "HG22"))
2.100 0.600 0.600 peak 2387 volume 0.834E+08 ppm1 1.234 ppm2 0.916
OR
(( segid " " and resid "5 " and name "HB2 "))
(( segid " " and resid "5 " and name "HG "))
ASSI
(( segid " " and resid "67 " and name "HD21")
OR
( segid " " and resid "67 " and name "HD23")
OR
( segid " " and resid "67 " and name "HD22"))
(( segid " " and resid "67 " and name "HB1 "))
2.300 0.700 0.700 peak 2403 volume 0.549E+08 ppm1 1.000 ppm2 1.774
OR
(( segid " " and resid "67 " and name "HD11")
OR
( segid " " and resid "67 " and name "HD13")
OR
( segid " " and resid "67 " and name "HD12"))
(( segid " " and resid "67 " and name "HB1 "))
ASSI
(( segid " " and resid "106 " and name "HA "))
(( segid " " and resid "58 " and name "HD11")
OR
( segid " " and resid "58 " and name "HD13")
OR
( segid " " and resid "58 " and name "HD12"))
2.500 0.800 0.800 peak 2408 volume 0.332E+08 ppm1 3.970 ppm2 0.812
OR
(( segid " " and resid "102 " and name "HA "))
(( segid " " and resid "30 " and name "HD11")
OR
( segid " " and resid "30 " and name "HD13")
OR
( segid " " and resid "30 " and name "HD12"))
OR
(( segid " " and resid "104 " and name "HB2 "))
(( segid " " and resid "100 " and name "HG21")
OR
( segid " " and resid "100 " and name "HG23")
OR
( segid " " and resid "100 " and name "HG22"))
OR
(( segid " " and resid "101 " and name "HA "))
(( segid " " and resid "100 " and name "HG21")
OR
( segid " " and resid "100 " and name "HG23")
OR
( segid " " and resid "100 " and name "HG22"))
ASSI
(( segid " " and resid "95 " and name "HB1 "))
(( segid " " and resid "90 " and name "HB1 ")
OR
( segid " " and resid "90 " and name "HB3 ")
OR
( segid " " and resid "90 " and name "HB2 "))
2.700 0.900 0.900 peak 2442 volume 0.182E+08 ppm1 2.331 ppm2 1.855
OR
(( segid " " and resid "60 " and name "HG1 ")
OR
( segid " " and resid "60 " and name "HG2 "))
(( segid " " and resid "59 " and name "HB1 "))
ASSI
(( segid " " and resid "87 " and name "HN "))
(( segid " " and resid "86 " and name "HD1 ")
OR
( segid " " and resid "86 " and name "HD2 "))
3.200 1.300 1.300 peak 2453 volume 0.194E+08 ppm1 8.850 ppm2 6.433
OR
(( segid " " and resid "85 " and name "HN "))
(( segid " " and resid "86 " and name "HD1 ")
OR
( segid " " and resid "86 " and name "HD2 "))
OR
(( segid " " and resid "8 " and name "HN "))
(( segid " " and resid "23 " and name "HH2 "))
OR
(( segid " " and resid "8 " and name "HN "))
(( segid " " and resid "86 " and name "HD1 ")
OR
( segid " " and resid "86 " and name "HD2 "))
ASSI
(( segid " " and resid "36 " and name "HA1 "))
(( 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 1.000 peak 2457 volume 0.187E+08 ppm1 4.007 ppm2 0.857
OR
(( segid " " and resid "60 " and name "HA "))
(( segid " " and resid "62 " and name "HD11")
OR
( segid " " and resid "62 " and name "HD13")
OR
( segid " " and resid "62 " and name "HD12"))
OR
(( segid " " and resid "42 " and name "HA "))
(( segid " " and resid "44 " and name "HB1 ")
OR
( segid " " and resid "44 " and name "HB3 ")
OR
( segid " " and resid "44 " and name "HB2 "))
OR
(( segid " " and resid "45 " and name "HA "))
(( segid " " and resid "44 " and name "HB1 ")
OR
( segid " " and resid "44 " and name "HB3 ")
OR
( segid " " and resid "44 " and name "HB2 "))
OR
(( segid " " and resid "45 " 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"))
ASSI
(( segid " " and resid "96 " and name "HG1 "))
(( segid " " and resid "100 " and name "HD11")
OR
( segid " " and resid "100 " and name "HD13")
OR
( segid " " and resid "100 " and name "HD12"))
2.700 0.900 0.900 peak 2461 volume 0.195E+08 ppm1 2.417 ppm2 0.768
OR
(( segid " " and resid "8 " and name "HE2 "))
(( segid " " and resid "8 " and name "HD1 "))
ASSI
(( segid " " and resid "63 " and name "HG "))
(( segid " " and resid "100 " and name "HG21")
OR
( segid " " and resid "100 " and name "HG23")
OR
( segid " " and resid "100 " and name "HG22"))
2.900 1.100 1.100 peak 2462 volume 0.182E+08 ppm1 1.875 ppm2 0.805
OR
(( segid " " and resid "80 " and name "HG "))
(( segid " " and resid "58 " and name "HD21")
OR
( segid " " and resid "58 " and name "HD23")
OR
( segid " " and resid "58 " and name "HD22"))
OR
(( segid " " and resid "96 " and name "HE1 ")
OR
( segid " " and resid "96 " and name "HE3 ")
OR
( segid " " and resid "96 " and name "HE2 "))
(( segid " " and resid "100 " and name "HG21")
OR
( segid " " and resid "100 " and name "HG23")
OR
( segid " " and resid "100 " and name "HG22"))
ASSI
(( segid " " and resid "100 " and name "HD11")
OR
( segid " " and resid "100 " and name "HD13")
OR
( segid " " and resid "100 " and name "HD12"))
(( segid " " and resid "64 " and name "HB1 ")
OR
( segid " " and resid "64 " and name "HB2 "))
2.900 1.100 1.100 peak 2464 volume 0.121E+08 ppm1 0.753 ppm2 2.225
OR
(( segid " " and resid "100 " and name "HD11")
OR
( segid " " and resid "100 " and name "HD13")
OR
( segid " " and resid "100 " and name "HD12"))
(( segid " " and resid "96 " and name "HB1 ")
OR
( segid " " and resid "96 " and name "HB2 "))
ASSI
(( segid " " and resid "39 " and name "HG2 "))
(( segid " " and resid "39 " and name "HB1 "))
2.700 0.900 0.900 peak 2466 volume 0.189E+08 ppm1 1.616 ppm2 2.114
OR
(( segid " " and resid "79 " and name "HG2 "))
(( segid " " and resid "85 " and name "HG1 ")
OR
( segid " " and resid "85 " and name "HG2 "))
ASSI
(( segid " " and resid "89 " and name "HG1 ")
OR
( segid " " and resid "89 " and name "HG2 "))
(( segid " " and resid "75 " and name "HG11")
OR
( segid " " and resid "75 " and name "HG13")
OR
( segid " " and resid "75 " and name "HG12"))
2.900 1.100 1.100 peak 2479 volume 0.118E+08 ppm1 2.725 ppm2 0.820
OR
(( segid " " and resid "74 " and name "HB1 ")
OR
( segid " " and resid "74 " and name "HB2 "))
(( segid " " and resid "75 " and name "HG11")
OR
( segid " " and resid "75 " and name "HG13")
OR
( segid " " and resid "75 " and name "HG12"))
OR
(( segid " " and resid "99 " and name "HB2 "))
(( segid " " and resid "100 " and name "HG21")
OR
( segid " " and resid "100 " and name "HG23")
OR
( segid " " and resid "100 " and name "HG22"))
OR
(( segid " " and resid "99 " and name "HB2 "))
(( segid " " and resid "30 " and name "HD11")
OR
( segid " " and resid "30 " and name "HD13")
OR
( segid " " and resid "30 " and name "HD12"))
ASSI
(( segid " " and resid "96 " and name "HG1 "))
(( segid " " and resid "90 " and name "HB1 ")
OR
( segid " " and resid "90 " and name "HB3 ")
OR
( segid " " and resid "90 " and name "HB2 "))
3.000 1.100 1.100 peak 2480 volume 0.107E+08 ppm1 2.417 ppm2 1.848
OR
(( segid " " and resid "96 " and name "HG1 "))
(( segid " " and resid "96 " and name "HE1 ")
OR
( segid " " and resid "96 " and name "HE3 ")
OR
( segid " " and resid "96 " and name "HE2 "))
ASSI
(( segid " " and resid "38 " and name "HB1 "))
(( segid " " and resid "29 " and name "HG11")
OR
( segid " " and resid "29 " and name "HG13")
OR
( segid " " and resid "29 " and name "HG12"))
3.300 1.400 1.400 peak 2490 volume 0.599E+07 ppm1 3.231 ppm2 0.923
OR
(( segid " " and resid "79 " and name "HD1 ")
OR
( segid " " and resid "79 " and name "HD2 "))
(( segid " " and resid "62 " and name "HG21")
OR
( segid " " and resid "62 " and name "HG23")
OR
( segid " " and resid "62 " and name "HG22"))
ASSI
(( segid " " and resid "38 " and name "HA "))
(( segid " " and resid "29 " and name "HG11")
OR
( segid " " and resid "29 " and name "HG13")
OR
( segid " " and resid "29 " and name "HG12"))
3.200 1.300 1.300 peak 2492 volume 0.764E+07 ppm1 4.968 ppm2 0.923
OR
(( segid " " and resid "90 " and name "HA "))
(( segid " " and resid "5 " and name "HG "))
OR
(( segid " " and resid "64 " and name "HA "))
(( segid " " and resid "62 " and name "HG21")
OR
( segid " " and resid "62 " and name "HG23")
OR
( segid " " and resid "62 " and name "HG22"))
ASSI
(( segid " " and resid "50 " and name "HB2 "))
(( segid " " and resid "54 " and name "HG11")
OR
( segid " " and resid "54 " and name "HG13")
OR
( segid " " and resid "54 " and name "HG12"))
3.100 1.200 1.200 peak 2498 volume 0.777E+07 ppm1 2.393 ppm2 1.138
OR
(( segid " " and resid "86 " and name "HB1 "))
(( segid " " and resid "7 " and name "HG1 ")
OR
( segid " " and resid "7 " and name "HG2 "))
OR
(( segid " " and resid "96 " and name "HG1 "))
(( segid " " and resid "100 " and name "HG11"))
ASSI
(( segid " " and resid "54 " and name "HG21")
OR
( segid " " and resid "54 " and name "HG23")
OR
( segid " " and resid "54 " and name "HG22"))
(( segid " " and resid "49 " and name "HG1 ")
OR
( segid " " and resid "49 " and name "HG2 "))
3.200 1.300 1.300 peak 2508 volume 0.714E+07 ppm1 1.037 ppm2 2.077
OR
(( segid " " and resid "48 " and name "HG21")
OR
( segid " " and resid "48 " and name "HG23")
OR
( segid " " and resid "48 " and name "HG22"))
(( segid " " and resid "49 " and name "HG1 ")
OR
( segid " " and resid "49 " and name "HG2 "))
OR
(( segid " " and resid "98 " and name "HG21")
OR
( segid " " and resid "98 " and name "HG23")
OR
( segid " " and resid "98 " and name "HG22"))
(( segid " " and resid "101 " and name "HB1 ")
OR
( segid " " and resid "101 " and name "HB2 "))
ASSI
(( segid " " and resid "29 " and name "HN "))
(( segid " " and resid "2 " and name "HA "))
3.500 1.500 1.500 peak 2520 volume 0.679E+07 ppm1 8.481 ppm2 5.642
OR
(( segid " " and resid "28 " and name "HN "))
(( segid " " and resid "2 " and name "HA "))
ASSI
(( segid " " and resid "67 " and name "HG "))
(( segid " " and resid "67 " and name "HD11")
OR
( segid " " and resid "67 " and name "HD13")
OR
( segid " " and resid "67 " and name "HD12"))
1.900 0.500 0.500 peak 2531 volume 0.190E+09 ppm1 1.678 ppm2 0.997
OR
(( segid " " and resid "78 " and name "HG "))
(( segid " " and resid "78 " and name "HD21")
OR
( segid " " and resid "78 " and name "HD23")
OR
( segid " " and resid "78 " and name "HD22"))
ASSI
(( segid " " and resid "85 " and name "HB1 "))
(( segid " " and resid "85 " and name "HB2 "))
1.700 0.400 0.400 peak 2533 volume 0.302E+09 ppm1 2.282 ppm2 2.018
OR
(( segid " " and resid "2 " and name "HG1 ")
OR
( segid " " and resid "2 " and name "HG2 "))
(( segid " " and resid "2 " and name "HB2 "))
OR
(( segid " " and resid "80 " and name "HB1 "))
(( segid " " and resid "80 " and name "HB2 "))
ASSI
(( segid " " and resid "67 " and name "HD11")
OR
( segid " " and resid "67 " and name "HD13")
OR
( segid " " and resid "67 " and name "HD12"))
(( segid " " and resid "67 " and name "HG "))
1.900 0.500 0.500 peak 2541 volume 0.185E+09 ppm1 1.000 ppm2 1.693
OR
(( segid " " and resid "67 " and name "HD21")
OR
( segid " " and resid "67 " and name "HD23")
OR
( segid " " and resid "67 " and name "HD22"))
(( segid " " and resid "67 " and name "HG "))
ASSI
(( segid " " and resid "103 " and name "HB "))
(( segid " " and resid "103 " and name "HD11")
OR
( segid " " and resid "103 " and name "HD13")
OR
( segid " " and resid "103 " and name "HD12"))
2.000 0.500 0.500 peak 2546 volume 0.112E+09 ppm1 2.035 ppm2 0.857
OR
(( 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"))
OR
(( segid " " and resid "103 " and name "HG11"))
(( segid " " and resid "103 " and name "HD11")
OR
( segid " " and resid "103 " and name "HD13")
OR
( segid " " and resid "103 " and name "HD12"))
ASSI
(( segid " " and resid "102 " and name "HB1 ")
OR
( segid " " and resid "102 " and name "HB3 ")
OR
( segid " " and resid "102 " and name "HB2 "))
(( segid " " and resid "30 " and name "HD11")
OR
( segid " " and resid "30 " and name "HD13")
OR
( segid " " and resid "30 " and name "HD12"))
2.100 0.600 0.600 peak 2552 volume 0.103E+09 ppm1 1.271 ppm2 0.820
OR
(( segid " " and resid "58 " and name "HB2 "))
(( segid " " and resid "58 " and name "HD11")
OR
( segid " " and resid "58 " and name "HD13")
OR
( segid " " and resid "58 " and name "HD12"))
ASSI
(( segid " " and resid "59 " and name "HD2 "))
(( segid " " and resid "59 " and name "HB1 "))
2.100 0.600 0.600 peak 2577 volume 0.715E+08 ppm1 1.382 ppm2 1.848
OR
(( segid " " and resid "70 " and name "HG1 ")
OR
( segid " " and resid "70 " and name "HG2 "))
(( segid " " and resid "70 " and name "HB1 ")
OR
( segid " " and resid "70 " and name "HB2 "))
ASSI
(( segid " " and resid "63 " and name "HB1 "))
(( segid " " and resid "103 " and name "HG21")
OR
( segid " " and resid "103 " and name "HG23")
OR
( segid " " and resid "103 " and name "HG22"))
2.500 0.800 0.800 peak 2587 volume 0.345E+08 ppm1 2.775 ppm2 0.931
OR
(( segid " " and resid "28 " and name "HB1 "))
(( segid " " and resid "5 " and name "HG "))
OR
(( segid " " and resid "44 " and name "HA "))
(( segid " " and resid "29 " and name "HG11")
OR
( segid " " and resid "29 " and name "HG13")
OR
( segid " " and resid "29 " and name "HG12"))
ASSI
(( segid " " and resid "62 " and name "HB "))
(( segid " " and resid "62 " and name "HG12"))
2.300 0.700 0.700 peak 2589 volume 0.448E+08 ppm1 1.826 ppm2 1.227
OR
(( segid " " and resid "96 " and name "HE1 ")
OR
( segid " " and resid "96 " and name "HE3 ")
OR
( segid " " and resid "96 " and name "HE2 "))
(( segid " " and resid "65 " and name "HG11")
OR
( segid " " and resid "65 " and name "HG13")
OR
( segid " " and resid "65 " and name "HG12"))
ASSI
(( segid " " and resid "31 " 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"))
2.500 0.800 0.800 peak 2591 volume 0.302E+08 ppm1 2.627 ppm2 0.857
OR
(( segid " " and resid "27 " and name "HB1 "))
(( segid " " and resid "44 " and name "HB1 ")
OR
( segid " " and resid "44 " and name "HB3 ")
OR
( segid " " and resid "44 " and name "HB2 "))
ASSI
(( segid " " and resid "55 " and name "HG1 "))
(( segid " " and resid "55 " and name "HB1 ")
OR
( segid " " and resid "55 " and name "HB2 "))
2.400 0.700 0.700 peak 2608 volume 0.347E+08 ppm1 2.121 ppm2 1.611
OR
(( segid " " and resid "39 " and name "HB1 "))
(( segid " " and resid "39 " and name "HG2 "))
ASSI
(( segid " " and resid "88 " and name "HN "))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
3.900 1.900 1.900 peak 2649 volume 0.594E+07 ppm1 8.887 ppm2 6.714
OR
(( segid " " and resid "90 " and name "HN "))
(( segid " " and resid "76 " and name "HE1 ")
OR
( segid " " and resid "76 " and name "HE2 "))
ASSI
(( segid " " and resid "77 " and name "HE1 ")
OR
( segid " " and resid "77 " and name "HE2 "))
(( segid " " and resid "65 " and name "HG11")
OR
( segid " " and resid "65 " and name "HG13")
OR
( segid " " and resid "65 " and name "HG12"))
3.200 1.300 1.300 peak 2664 volume 0.604E+07 ppm1 2.701 ppm2 1.227
OR
(( segid " " and resid "89 " and name "HG1 ")
OR
( segid " " and resid "89 " and name "HG2 "))
(( segid " " and resid "73 " and name "HD1 ")
OR
( segid " " and resid "73 " and name "HD2 "))
OR
(( segid " " and resid "89 " and name "HB1 "))
(( segid " " and resid "73 " and name "HD1 ")
OR
( segid " " and resid "73 " and name "HD2 "))
OR
(( segid " " and resid "97 " and name "HB2 "))
(( segid " " and resid "65 " and name "HG11")
OR
( segid " " and resid "65 " and name "HG13")
OR
( segid " " and resid "65 " and name "HG12"))
OR
(( segid " " and resid "74 " and name "HB1 ")
OR
( segid " " and resid "74 " and name "HB2 "))
(( segid " " and resid "73 " and name "HD1 ")
OR
( segid " " and resid "73 " and name "HD2 "))
OR
(( segid " " and resid "74 " and name "HB1 ")
OR
( segid " " and resid "74 " and name "HB2 "))
(( segid " " and resid "65 " and name "HG11")
OR
( segid " " and resid "65 " and name "HG13")
OR
( segid " " and resid "65 " and name "HG12"))
ASSI
(( segid " " and resid "50 " and name "HN "))
(( segid " " and resid "38 " and name "HE1 ")
OR
( segid " " and resid "38 " and name "HE2 "))
3.900 1.900 1.900 peak 2669 volume 0.500E+07 ppm1 8.702 ppm2 6.470
OR
(( segid " " and resid "31 " and name "HN "))
(( segid " " and resid "99 " and name "HZ3 "))
OR
(( segid " " and resid "31 " and name "HN "))
(( segid " " and resid "38 " and name "HE1 ")
OR
( segid " " and resid "38 " and name "HE2 "))
ASSI
(( segid " " and resid "66 " and name "HB1 ")
OR
( segid " " and resid "66 " and name "HB3 ")
OR
( segid " " and resid "66 " and name "HB2 "))
(( segid " " and resid "75 " and name "HG11")
OR
( segid " " and resid "75 " and name "HG13")
OR
( segid " " and resid "75 " and name "HG12"))
1.700 0.400 0.400 peak 2681 volume 0.291E+09 ppm1 1.382 ppm2 0.820
OR
(( segid " " and resid "58 " and name "HB1 "))
(( segid " " and resid "58 " and name "HD11")
OR
( segid " " and resid "58 " and name "HD13")
OR
( segid " " and resid "58 " and name "HD12"))
ASSI
(( segid " " and resid "89 " and name "HB2 "))
(( segid " " and resid "75 " and name "HG21")
OR
( segid " " and resid "75 " and name "HG23")
OR
( segid " " and resid "75 " and name "HG22"))
2.000 0.500 0.500 peak 2694 volume 0.107E+09 ppm1 1.271 ppm2 0.775
OR
(( segid " " and resid "58 " and name "HB2 "))
(( segid " " and resid "58 " and name "HD21")
OR
( segid " " and resid "58 " and name "HD23")
OR
( segid " " and resid "58 " and name "HD22"))
ASSI
(( segid " " and resid "70 " and name "HE1 ")
OR
( segid " " and resid "70 " and name "HE2 "))
(( segid " " and resid "70 " and name "HD2 "))
2.300 0.700 0.700 peak 2702 volume 0.475E+08 ppm1 2.984 ppm2 1.589
OR
(( segid " " and resid "16 " and name "HE1 ")
OR
( segid " " and resid "16 " and name "HE2 "))
(( segid " " and resid "16 " and name "HD1 ")
OR
( segid " " and resid "16 " and name "HD2 "))
ASSI
(( segid " " and resid "77 " and name "HE1 ")
OR
( segid " " and resid "77 " and name "HE2 "))
(( segid " " and resid "77 " and name "HB1 "))
2.400 0.700 0.700 peak 2707 volume 0.369E+08 ppm1 2.701 ppm2 1.855
OR
(( segid " " and resid "74 " and name "HB1 ")
OR
( segid " " and resid "74 " and name "HB2 "))
(( segid " " and resid "96 " and name "HE1 ")
OR
( segid " " and resid "96 " and name "HE3 ")
OR
( segid " " and resid "96 " and name "HE2 "))
OR
(( segid " " and resid "74 " and name "HB1 ")
OR
( segid " " and resid "74 " and name "HB2 "))
(( segid " " and resid "90 " and name "HB1 ")
OR
( segid " " and resid "90 " and name "HB3 ")
OR
( segid " " and resid "90 " and name "HB2 "))
ASSI
(( segid " " and resid "49 " and name "HG1 ")
OR
( segid " " and resid "49 " and name "HG2 "))
(( segid " " and resid "54 " and name "HG21")
OR
( segid " " and resid "54 " and name "HG23")
OR
( segid " " and resid "54 " and name "HG22"))
3.100 1.200 1.200 peak 2726 volume 0.938E+07 ppm1 2.084 ppm2 1.034
OR
(( segid " " and resid "55 " and name "HG1 "))
(( segid " " and resid "54 " and name "HG21")
OR
( segid " " and resid "54 " and name "HG23")
OR
( segid " " and resid "54 " and name "HG22"))
OR
(( segid " " and resid "49 " and name "HG1 ")
OR
( segid " " and resid "49 " and name "HG2 "))
(( segid " " and resid "48 " and name "HG21")
OR
( segid " " and resid "48 " and name "HG23")
OR
( segid " " and resid "48 " and name "HG22"))
OR
(( segid " " and resid "39 " and name "HB1 "))
(( segid " " and resid "48 " and name "HG21")
OR
( segid " " and resid "48 " and name "HG23")
OR
( segid " " and resid "48 " and name "HG22"))
OR
(( segid " " and resid "101 " and name "HB1 ")
OR
( segid " " and resid "101 " and name "HB2 "))
(( segid " " and resid "98 " and name "HG21")
OR
( segid " " and resid "98 " and name "HG23")
OR
( segid " " and resid "98 " and name "HG22"))
ASSI
(( segid " " and resid "103 " and name "HB "))
(( segid " " and resid "78 " and name "HD21")
OR
( segid " " and resid "78 " and name "HD23")
OR
( segid " " and resid "78 " and name "HD22"))
2.800 1.000 1.000 peak 2727 volume 0.165E+08 ppm1 2.035 ppm2 0.997
OR
(( segid " " and resid "35 " and name "HE1 ")
OR
( segid " " and resid "35 " and name "HE3 ")
OR
( segid " " and resid "35 " and name "HE2 "))
(( segid " " and resid "56 " and name "HG21")
OR
( segid " " and resid "56 " and name "HG23")
OR
( segid " " and resid "56 " and name "HG22"))
OR
(( segid " " and resid "35 " and name "HE1 ")
OR
( segid " " and resid "35 " and name "HE3 ")
OR
( segid " " and resid "35 " and name "HE2 "))
(( segid " " and resid "78 " and name "HD21")
OR
( segid " " and resid "78 " and name "HD23")
OR
( segid " " and resid "78 " and name "HD22"))
OR
(( segid " " and resid "80 " and name "HB2 "))
(( segid " " and resid "56 " and name "HG21")
OR
( segid " " and resid "56 " and name "HG23")
OR
( segid " " and resid "56 " and name "HG22"))
ASSI
(( segid " " and resid "5 " and name "HD11")
OR
( segid " " and resid "5 " and name "HD13")
OR
( segid " " and resid "5 " and name "HD12"))
(( segid " " and resid "5 " and name "HB1 "))
2.700 0.900 0.900 peak 2730 volume 0.210E+08 ppm1 0.581 ppm2 1.530
OR
(( segid " " and resid "26 " and name "HG11")
OR
( segid " " and resid "26 " and name "HG13")
OR
( segid " " and resid "26 " and name "HG12"))
(( segid " " and resid "5 " and name "HB1 "))
ASSI
(( segid " " and resid "96 " and name "HB1 ")
OR
( segid " " and resid "96 " and name "HB2 "))
(( segid " " and resid "98 " and name "HG1 "))
3.200 1.300 1.300 peak 2731 volume 0.856E+07 ppm1 2.195 ppm2 1.034
OR
(( segid " " and resid "95 " and name "HB2 "))
(( segid " " and resid "98 " and name "HG21")
OR
( segid " " and resid "98 " and name "HG23")
OR
( segid " " and resid "98 " and name "HG22"))
OR
(( segid " " and resid "95 " and name "HB2 "))
(( segid " " and resid "98 " and name "HG1 "))
OR
(( segid " " and resid "53 " and name "HB2 "))
(( segid " " and resid "54 " and name "HG21")
OR
( segid " " and resid "54 " and name "HG23")
OR
( segid " " and resid "54 " and name "HG22"))
ASSI
(( segid " " and resid "97 " and name "HB1 "))
(( segid " " and resid "100 " and name "HD11")
OR
( segid " " and resid "100 " and name "HD13")
OR
( segid " " and resid "100 " and name "HD12"))
2.700 0.900 0.900 peak 2732 volume 0.193E+08 ppm1 2.922 ppm2 0.768
OR
(( segid " " and resid "99 " and name "HB1 "))
(( segid " " and resid "100 " and name "HD11")
OR
( segid " " and resid "100 " and name "HD13")
OR
( segid " " and resid "100 " and name "HD12"))
OR
(( segid " " and resid "6 " and name "HB1 "))
(( segid " " and resid "75 " and name "HG21")
OR
( segid " " and resid "75 " and name "HG23")
OR
( segid " " and resid "75 " and name "HG22"))
OR
(( segid " " and resid "69 " and name "HB2 "))
(( segid " " and resid "75 " and name "HG21")
OR
( segid " " and resid "75 " and name "HG23")
OR
( segid " " and resid "75 " and name "HG22"))
ASSI
(( segid " " and resid "17 " and name "HE1 ")
OR
( segid " " and resid "17 " and name "HE2 "))
(( segid " " and resid "10 " and name "HB1 "))
3.000 1.100 1.100 peak 2763 volume 0.991E+07 ppm1 2.725 ppm2 1.693
OR
(( segid " " and resid "99 " and name "HB2 "))
(( segid " " and resid "100 " and name "HB "))
OR
(( segid " " and resid "97 " and name "HB2 "))
(( segid " " and resid "100 " and name "HB "))
OR
(( segid " " and resid "8 " and name "HE1 "))
(( segid " " and resid "10 " and name "HB1 "))
OR
(( segid " " and resid "68 " and name "HB1 ")
OR
( segid " " and resid "68 " and name "HB2 "))
(( segid " " and resid "67 " and name "HG "))
OR
(( segid " " and resid "74 " and name "HB1 ")
OR
( segid " " and resid "74 " and name "HB2 "))
(( segid " " and resid "67 " and name "HG "))
ASSI
(( segid " " and resid "29 " and name "HB "))
(( segid " " and resid "29 " and name "HG11")
OR
( segid " " and resid "29 " and name "HG13")
OR
( segid " " and resid "29 " and name "HG12"))
1.800 0.400 0.400 peak 2790 volume 0.213E+09 ppm1 2.035 ppm2 0.923
OR
(( segid " " and resid "103 " and name "HB "))
(( segid " " and resid "103 " and name "HG21")
OR
( segid " " and resid "103 " and name "HG23")
OR
( segid " " and resid "103 " and name "HG22"))
ASSI
(( segid " " and resid "39 " and name "HG2 "))
(( segid " " and resid "39 " and name "HB2 "))
1.700 0.400 0.400 peak 2858 volume 0.248E+09 ppm1 1.641 ppm2 1.944
OR
(( segid " " and resid "79 " and name "HG1 "))
(( segid " " and resid "79 " and name "HB1 "))
OR
(( segid " " and resid "39 " and name "HG2 "))
(( segid " " and resid "39 " and name "HD1 "))
OR
(( segid " " and resid "55 " and name "HB1 ")
OR
( segid " " and resid "55 " and name "HB2 "))
(( segid " " and resid "55 " and name "HG2 "))
ASSI
(( segid " " and resid "48 " and name "HG12"))
(( segid " " and resid "48 " and name "HD11")
OR
( segid " " and resid "48 " and name "HD13")
OR
( segid " " and resid "48 " and name "HD12"))
2.000 0.500 0.500 peak 2860 volume 0.137E+09 ppm1 1.074 ppm2 0.931
OR
(( segid " " and resid "78 " and name "HD11")
OR
( segid " " and resid "78 " and name "HD13")
OR
( segid " " and resid "78 " and name "HD12"))
(( segid " " and resid "103 " and name "HG21")
OR
( segid " " and resid "103 " and name "HG23")
OR
( segid " " and resid "103 " and name "HG22"))
ASSI
(( segid " " and resid "87 " and name "HB2 "))
(( segid " " and resid "87 " and name "HD11")
OR
( segid " " and resid "87 " and name "HD13")
OR
( segid " " and resid "87 " and name "HD12"))
2.600 0.800 0.800 peak 2863 volume 0.231E+08 ppm1 1.012 ppm2 0.642
OR
(( segid " " and resid "87 " and name "HB1 "))
(( segid " " and resid "87 " and name "HD11")
OR
( segid " " and resid "87 " and name "HD13")
OR
( segid " " and resid "87 " and name "HD12"))
ASSI
(( segid " " and resid "99 " and name "HA "))
(( segid " " and resid "100 " and name "HG21")
OR
( segid " " and resid "100 " and name "HG23")
OR
( segid " " and resid "100 " and name "HG22"))
3.000 1.100 1.100 peak 2880 volume 0.132E+08 ppm1 3.822 ppm2 0.805
OR
(( segid " " and resid "99 " and name "HA "))
(( segid " " and resid "30 " and name "HD11")
OR
( segid " " and resid "30 " and name "HD13")
OR
( segid " " and resid "30 " and name "HD12"))
OR
(( segid " " and resid "98 " and name "HA "))
(( segid " " and resid "100 " and name "HG21")
OR
( segid " " and resid "100 " and name "HG23")
OR
( segid " " and resid "100 " and name "HG22"))
ASSI
(( segid " " and resid "87 " and name "HB2 "))
(( segid " " and resid "87 " and name "HD21")
OR
( segid " " and resid "87 " and name "HD23")
OR
( segid " " and resid "87 " and name "HD22"))
2.300 0.700 0.700 peak 2896 volume 0.480E+08 ppm1 1.037 ppm2 0.376
OR
(( segid " " and resid "87 " and name "HB1 "))
(( segid " " and resid "87 " and name "HD21")
OR
( segid " " and resid "87 " and name "HD23")
OR
( segid " " and resid "87 " and name "HD22"))
ASSI
(( segid " " and resid "28 " and name "HG "))
(( segid " " and resid "26 " and name "HG21")
OR
( segid " " and resid "26 " and name "HG23")
OR
( segid " " and resid "26 " and name "HG22"))
3.100 1.200 1.200 peak 2898 volume 0.114E+08 ppm1 1.986 ppm2 0.450
OR
(( segid " " and resid "39 " and name "HB2 "))
(( segid " " and resid "26 " and name "HG21")
OR
( segid " " and resid "26 " and name "HG23")
OR
( segid " " and resid "26 " and name "HG22"))
ASSI
(( segid " " and resid "27 " and name "HB2 "))
(( segid " " and resid "26 " and name "HG21")
OR
( segid " " and resid "26 " and name "HG23")
OR
( segid " " and resid "26 " and name "HG22"))
3.100 1.200 1.200 peak 2899 volume 0.102E+08 ppm1 1.961 ppm2 0.450
OR
(( segid " " and resid "28 " and name "HG "))
(( segid " " and resid "26 " and name "HG21")
OR
( segid " " and resid "26 " and name "HG23")
OR
( segid " " and resid "26 " and name "HG22"))
ASSI
(( segid " " and resid "7 " and name "HD1 ")
OR
( segid " " and resid "7 " and name "HD2 "))
(( segid " " and resid "26 " and name "HB "))
3.000 1.100 1.100 peak 2906 volume 0.870E+07 ppm1 2.627 ppm2 1.744
OR
(( segid " " and resid "37 " and name "HB1 ")
OR
( segid " " and resid "37 " and name "HB2 "))
(( segid " " and resid "26 " and name "HB "))
OR
(( segid " " and resid "37 " and name "HB1 ")
OR
( segid " " and resid "37 " and name "HB2 "))
(( segid " " and resid "35 " and name "HG1 "))
Contact the webmaster for help, if required. Sunday, April 28, 2024 3:58:17 AM GMT (wattos1)