NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
|
|
7141 |
1k0x   |
5220 | cing | recoord | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 7723}
(segid " " and resid "61 " and name "HZ2 ")
(segid " " and resid "82 " and name "HB1 ")
3.400 1.400 1.400 peak 7723 weight 0.10000E+01 volume 0.26300E+00 ppm1 7.556 ppm2 1.393
OR { 7723}
(segid " " and resid "61 " and name "HZ2 ")
(segid " " and resid "52 " and name "HB2 ")
ASSI { 7743}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "108 " and name "HG2 ")
2.900 1.100 1.100 peak 7743 weight 0.10000E+01 volume 0.87000E+00 ppm1 6.694 ppm2 2.415
OR { 7743}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "108 " and name "HG1 ")
OR { 7743}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "48 " and name "HB1 ")
OR { 7743}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "48 " and name "HB1 ")
ASSI { 7740}
(segid " " and resid "106 " and name "HE1 ")
(segid " " and resid "106 " and name "HB1 ")
2.800 1.000 1.000 peak 7740 weight 0.10000E+01 volume 0.11960E+01 ppm1 6.686 ppm2 3.067
OR { 7740}
(segid " " and resid "70 " and name "HE2 ")
(segid " " and resid "70 " and name "HB1 ")
OR { 7740}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "106 " and name "HB2 ")
OR { 7740}
(segid " " and resid "106 " and name "HE1 ")
(segid " " and resid "106 " and name "HB2 ")
OR { 7740}
(segid " " and resid "70 " and name "HE1 ")
(segid " " and resid "70 " and name "HB1 ")
ASSI { 7742}
(segid " " and resid "79 " and name "HE2 ")
(segid " " and resid "79 " and name "HB1 ")
2.900 2.900 2.100 peak 7742 weight 0.10000E+01 volume 0.76000E+00 ppm1 6.683 ppm2 2.664
OR { 7742}
(segid " " and resid "79 " and name "HE1 ")
(segid " " and resid "79 " and name "HB1 ")
OR { 7742}
(segid " " and resid "79 " and name "HE1 ")
(segid " " and resid "105 " and name "HB2 ")
ASSI { 7745}
(segid " " and resid "69 " and name "HE2 ")
(segid " " and resid "74 " and name "HB1 ")
2.800 1.000 1.000 peak 7745 weight 0.10000E+01 volume 0.12520E+01 ppm1 6.685 ppm2 1.293
OR { 7745}
(segid " " and resid "69 " and name "HE2 ")
(segid " " and resid "74 " and name "HB3 ")
OR { 7745}
(segid " " and resid "69 " and name "HE1 ")
(segid " " and resid "74 " and name "HB1 ")
OR { 7745}
(segid " " and resid "69 " and name "HE1 ")
(segid " " and resid "74 " and name "HB2 ")
OR { 7745}
(segid " " and resid "106 " and name "HE1 ")
(segid " " and resid "102 " and name "HD1 ")
OR { 7745}
(segid " " and resid "69 " and name "HE1 ")
(segid " " and resid "74 " and name "HB3 ")
OR { 7745}
(segid " " and resid "106 " and name "HE1 ")
(segid " " and resid "102 " and name "HD2 ")
ASSI { 7747}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "46 " and name "HG13")
2.800 1.000 1.000 peak 7747 weight 0.10000E+01 volume 0.22740E+01 ppm1 6.675 ppm2 0.781
OR { 7747}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "46 " and name "HG12")
OR { 7747}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "46 " and name "HG11")
OR { 7747}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "91 " and name "HD22")
OR { 7747}
(segid " " and resid "79 " and name "HE2 ")
(segid " " and resid "53 " and name "HD23")
OR { 7747}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "91 " and name "HD22")
OR { 7747}
(segid " " and resid "79 " and name "HE2 ")
(segid " " and resid "53 " and name "HD21")
OR { 7747}
(segid " " and resid "79 " and name "HE2 ")
(segid " " and resid "53 " and name "HD22")
ASSI { 7739}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "3 " and name "HD2 ")
2.600 0.800 0.800 peak 7739 weight 0.10000E+01 volume 0.19150E+01 ppm1 6.693 ppm2 3.469
OR { 7739}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "2 " and name "HA2 ")
ASSI { 7579}
(segid " " and resid "34 " and name "HB2 ")
(segid " " and resid "34 " and name "HG2 ")
2.200 0.600 0.600 peak 7579 weight 0.10000E+01 volume 0.91100E+00 ppm1 6.941 ppm2 1.329
OR { 7579}
(segid " " and resid "86 " and name "HB2 ")
(segid " " and resid "86 " and name "HG2 ")
ASSI { 7031}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "80 " and name "HA ")
3.200 1.300 1.300 peak 7031 weight 0.10000E+01 volume 0.60200E+00 ppm1 6.944 ppm2 5.265
OR { 7031}
(segid " " and resid "86 " and name "HB2 ")
(segid " " and resid "85 " and name "HA ")
ASSI { 5117}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "2 " and name "HA2 ")
2.800 1.000 1.000 peak 5117 weight 0.10000E+01 volume 0.11610E+01 ppm1 6.697 ppm2 3.581
OR { 5117}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "3 " and name "HD1 ")
ASSI { 7744}
(segid " " and resid "79 " and name "HE1 ")
(segid " " and resid "37 " and name "HB2 ")
3.000 1.100 1.100 peak 7744 weight 0.10000E+01 volume 0.65800E+00 ppm1 6.682 ppm2 1.572
OR { 7744}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "21 " and name "HB1 ")
OR { 7744}
(segid " " and resid "79 " and name "HE1 ")
(segid " " and resid "37 " and name "HG2 ")
ASSI { 7688}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "24 " and name "HG1 ")
2.800 1.000 1.000 peak 7688 weight 0.10000E+01 volume 0.11200E+01 ppm1 6.781 ppm2 2.206
OR { 7688}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "3 " and name "HB1 ")
OR { 7688}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "24 " and name "HG1 ")
ASSI { 7690}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "21 " and name "HB2 ")
3.500 1.500 1.500 peak 7690 weight 0.10000E+01 volume 0.39000E+00 ppm1 6.781 ppm2 1.005
OR { 7690}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "46 " and name "HG21")
OR { 7690}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "46 " and name "HG23")
OR { 7690}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "21 " and name "HB2 ")
OR { 7690}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "46 " and name "HG21")
ASSI { 7689}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "21 " and name "HB1 ")
3.100 1.200 1.200 peak 7689 weight 0.10000E+01 volume 0.50700E+00 ppm1 6.780 ppm2 1.536
OR { 7689}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "91 " and name "HB2 ")
OR { 7689}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "91 " and name "HB1 ")
OR { 7689}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "91 " and name "HG ")
OR { 7689}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "21 " and name "HB1 ")
OR { 7689}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "91 " and name "HG ")
OR { 7689}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "91 " and name "HB2 ")
ASSI { 7686}
(segid " " and resid "69 " and name "HE2 ")
(segid " " and resid "69 " and name "HB1 ")
3.100 1.200 1.200 peak 7686 weight 0.10000E+01 volume 0.55500E+00 ppm1 6.782 ppm2 2.844
OR { 7686}
(segid " " and resid "70 " and name "HE1 ")
(segid " " and resid "70 " and name "HB2 ")
OR { 7686}
(segid " " and resid "69 " and name "HE1 ")
(segid " " and resid "69 " and name "HB2 ")
OR { 7686}
(segid " " and resid "69 " and name "HE2 ")
(segid " " and resid "69 " and name "HB2 ")
OR { 7686}
(segid " " and resid "70 " and name "HE2 ")
(segid " " and resid "70 " and name "HB2 ")
OR { 7686}
(segid " " and resid "69 " and name "HE1 ")
(segid " " and resid "69 " and name "HB1 ")
ASSI { 7664}
(segid " " and resid "42 " and name "HD2 ")
(segid " " and resid "40 " and name "HG23")
3.200 1.300 1.300 peak 7664 weight 0.10000E+01 volume 0.32100E+00 ppm1 7.222 ppm2 1.244
OR { 7664}
(segid " " and resid "42 " and name "HD2 ")
(segid " " and resid "40 " and name "HG21")
OR { 7664}
(segid " " and resid "42 " and name "HD2 ")
(segid " " and resid "40 " and name "HG22")
OR { 7664}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "84 " and name "HG12")
OR { 7664}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "43 " and name "HG2 ")
OR { 7664}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "84 " and name "HG12")
OR { 7664}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "43 " and name "HG2 ")
OR { 7664}
(segid " " and resid "20 " and name "HD2 ")
(segid " " and resid "14 " and name "HB1 ")
ASSI { 1595}
(segid " " and resid "10 " and name "HB1 ")
(segid " " and resid "10 " and name "HD1 ")
2.400 0.700 0.700 peak 1595 weight 0.10000E+01 volume 0.96900E+00 ppm1 7.320 ppm2 3.330
OR { 1595}
(segid " " and resid "18 " and name "HA ")
(segid " " and resid "13 " and name "HB2 ")
OR { 1595}
(segid " " and resid "20 " and name "HD2 ")
(segid " " and resid "20 " and name "HB1 ")
ASSI { 1589}
(segid " " and resid "20 " and name "HD2 ")
(segid " " and resid "21 " and name "HD1 ")
3.600 1.600 1.600 peak 1589 weight 0.10000E+01 volume 0.19700E+00 ppm1 7.332 ppm2 3.541
OR { 1589}
(segid " " and resid "18 " and name "HA ")
(segid " " and resid "19 " and name "HB1 ")
ASSI { 1847}
(segid " " and resid "20 " and name "HD2 ")
(segid " " and resid "20 " and name "HB2 ")
2.700 0.900 0.900 peak 1847 weight 0.10000E+01 volume 0.10660E+01 ppm1 7.322 ppm2 2.768
OR { 1847}
(segid " " and resid "18 " and name "HA ")
(segid " " and resid "15 " and name "HB2 ")
ASSI { 7758}
(segid " " and resid "92 " and name "HB1 ")
(segid " " and resid "20 " and name "HB1 ")
2.800 1.000 1.000 peak 7758 weight 0.10000E+01 volume 0.59500E+00 ppm1 7.065 ppm2 3.285
OR { 7758}
(segid " " and resid "103 " and name "HE3 ")
(segid " " and resid "103 " and name "HB2 ")
ASSI { 7757}
(segid " " and resid "92 " and name "HB1 ")
(segid " " and resid "22 " and name "HA ")
2.500 0.800 0.800 peak 7757 weight 0.10000E+01 volume 0.20620E+01 ppm1 7.064 ppm2 4.369
OR { 7757}
(segid " " and resid "103 " and name "HE3 ")
(segid " " and resid "103 " and name "HA ")
ASSI { 7730}
(segid " " and resid "61 " and name "HZ3 ")
(segid " " and resid "49 " and name "HG23")
3.000 1.100 1.100 peak 7730 weight 0.10000E+01 volume 0.10780E+01 ppm1 6.745 ppm2 1.142
OR { 7730}
(segid " " and resid "61 " and name "HZ3 ")
(segid " " and resid "25 " and name "HB2 ")
OR { 7730}
(segid " " and resid "61 " and name "HZ3 ")
(segid " " and resid "49 " and name "HG21")
OR { 7730}
(segid " " and resid "61 " and name "HZ3 ")
(segid " " and resid "25 " and name "HB1 ")
ASSI { 7716}
(segid " " and resid "61 " and name "HE3 ")
(segid " " and resid "87 " and name "HG2 ")
3.500 1.500 1.500 peak 7716 weight 0.10000E+01 volume 0.20800E+00 ppm1 7.411 ppm2 2.147
OR { 7716}
(segid " " and resid "18 " and name "HA ")
(segid " " and resid "17 " and name "HB1 ")
OR { 7716}
(segid " " and resid "61 " and name "HE3 ")
(segid " " and resid "87 " and name "HB1 ")
ASSI { 7732}
(segid " " and resid "61 " and name "HZ3 ")
(segid " " and resid "49 " and name "HG11")
3.100 1.200 1.200 peak 7732 weight 0.10000E+01 volume 0.44700E+00 ppm1 6.743 ppm2 0.693
OR { 7732}
(segid " " and resid "61 " and name "HZ3 ")
(segid " " and resid "49 " and name "HG12")
OR { 7732}
(segid " " and resid "54 " and name "HB2 ")
(segid " " and resid "12 " and name "HD23")
OR { 7732}
(segid " " and resid "54 " and name "HB2 ")
(segid " " and resid "12 " and name "HD22")
ASSI { 7714}
(segid " " and resid "61 " and name "HE3 ")
(segid " " and resid "61 " and name "HB1 ")
3.300 1.400 1.400 peak 7714 weight 0.10000E+01 volume 0.30000E+00 ppm1 7.423 ppm2 3.268
OR { 7714}
(segid " " and resid "18 " and name "HA ")
(segid " " and resid "18 " and name "HB2 ")
ASSI { 7711}
(segid " " and resid "61 " and name "HE3 ")
(segid " " and resid "80 " and name "HZ ")
3.800 1.800 1.800 peak 7711 weight 0.10000E+01 volume 0.76200E+00 ppm1 7.417 ppm2 7.150
OR { 7711}
(segid " " and resid "61 " and name "HE3 ")
(segid " " and resid "61 " and name "HH2 ")
ASSI { 7828}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "100 " and name "HG21")
2.500 0.800 0.800 peak 7828 weight 0.10000E+01 volume 0.27700E+01 ppm1 6.920 ppm2 0.934
OR { 7828}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "100 " and name "HG22")
OR { 7828}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "53 " and name "HD12")
OR { 7828}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "100 " and name "HG23")
OR { 7828}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "53 " and name "HD11")
OR { 7828}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "53 " and name "HD13")
OR { 7828}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "7 " and name "HB2 ")
ASSI { 7826}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "100 " and name "HB ")
3.400 1.400 1.400 peak 7826 weight 0.10000E+01 volume 0.27900E+00 ppm1 6.919 ppm2 4.632
OR { 7826}
(segid " " and resid "28 " and name "HB2 ")
(segid " " and resid "27 " and name "HA ")
OR { 7826}
(segid " " and resid "28 " and name "HB1 ")
(segid " " and resid "29 " and name "HA ")
OR { 7826}
(segid " " and resid "34 " and name "HA ")
(segid " " and resid "35 " and name "HA ")
OR { 7826}
(segid " " and resid "105 " and name "HE1 ")
(segid " " and resid "100 " and name "HB ")
ASSI { 7774}
(segid " " and resid "39 " and name "HB1 ")
(segid " " and resid "39 " and name "HD22")
2.200 0.600 0.600 peak 7774 weight 0.10000E+01 volume 0.22660E+01 ppm1 6.979 ppm2 0.868
OR { 7774}
(segid " " and resid "80 " and name "HE1 ")
(segid " " and resid "85 " and name "HG23")
OR { 7774}
(segid " " and resid "39 " and name "HB1 ")
(segid " " and resid "39 " and name "HD21")
OR { 7774}
(segid " " and resid "80 " and name "HE1 ")
(segid " " and resid "85 " and name "HG21")
ASSI { 7775}
(segid " " and resid "80 " and name "HE1 ")
(segid " " and resid "85 " and name "HG13")
2.800 1.000 1.000 peak 7775 weight 0.10000E+01 volume 0.22730E+01 ppm1 6.979 ppm2 0.506
OR { 7775}
(segid " " and resid "80 " and name "HE2 ")
(segid " " and resid "47 " and name "HG12")
OR { 7775}
(segid " " and resid "80 " and name "HE2 ")
(segid " " and resid "47 " and name "HG11")
OR { 7775}
(segid " " and resid "80 " and name "HE1 ")
(segid " " and resid "85 " and name "HG11")
OR { 7775}
(segid " " and resid "80 " and name "HE2 ")
(segid " " and resid "47 " and name "HG13")
ASSI { 7704}
(segid " " and resid "57 " and name "HA1 ")
(segid " " and resid "60 " and name "HD2 ")
4.100 2.100 1.900 peak 7704 weight 0.10000E+01 volume 0.46400E+00 ppm1 7.350 ppm2 7.040
OR { 7704}
(segid " " and resid "60 " and name "HZ ")
(segid " " and resid "60 " and name "HD2 ")
OR { 7704}
(segid " " and resid "60 " and name "HZ ")
(segid " " and resid "60 " and name "HD1 ")
ASSI { 7648}
(segid " " and resid "38 " and name "HE1 ")
(segid " " and resid "7 " and name "HD12")
3.500 1.500 1.500 peak 7648 weight 0.10000E+01 volume 0.33700E+00 ppm1 6.843 ppm2 0.520
OR { 7648}
(segid " " and resid "39 " and name "HB1 ")
(segid " " and resid "47 " and name "HG13")
OR { 7648}
(segid " " and resid "38 " and name "HE1 ")
(segid " " and resid "7 " and name "HD11")
OR { 7648}
(segid " " and resid "39 " and name "HB1 ")
(segid " " and resid "47 " and name "HG11")
OR { 7648}
(segid " " and resid "38 " and name "HE2 ")
(segid " " and resid "7 " and name "HD12")
OR { 7648}
(segid " " and resid "38 " and name "HE2 ")
(segid " " and resid "7 " and name "HD11")
OR { 7648}
(segid " " and resid "38 " and name "HE2 ")
(segid " " and resid "7 " and name "HD13")
ASSI { 7696}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "50 " and name "HB1 ")
2.600 0.800 0.800 peak 7696 weight 0.10000E+01 volume 0.15410E+01 ppm1 7.030 ppm2 3.001
OR { 7696}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "60 " and name "HB1 ")
OR { 7696}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "60 " and name "HB2 ")
OR { 7696}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "60 " and name "HB2 ")
ASSI { 7693}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "63 " and name "HA1 ")
3.300 1.400 1.400 peak 7693 weight 0.10000E+01 volume 0.13880E+01 ppm1 7.031 ppm2 5.176
OR { 7693}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "60 " and name "HA ")
ASSI { 7810}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "21 " and name "HG2 ")
3.200 1.300 1.300 peak 7810 weight 0.10000E+01 volume 0.50000E+00 ppm1 7.132 ppm2 1.311
OR { 7810}
(segid " " and resid "50 " and name "HE2 ")
(segid " " and resid "21 " and name "HG2 ")
OR { 7810}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "21 " and name "HG2 ")
OR { 7810}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "21 " and name "HG2 ")
OR { 7810}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "74 " and name "HB2 ")
OR { 7810}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "77 " and name "HG ")
OR { 7810}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "77 " and name "HG ")
OR { 7810}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "77 " and name "HG ")
OR { 7810}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "14 " and name "HB1 ")
ASSI { 7812}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "49 " and name "HG12")
3.800 1.800 1.800 peak 7812 weight 0.10000E+01 volume 0.40800E+00 ppm1 7.133 ppm2 0.787
OR { 7812}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "49 " and name "HG13")
OR { 7812}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "91 " and name "HD21")
OR { 7812}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "49 " and name "HG11")
OR { 7812}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "91 " and name "HD23")
OR { 7812}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "91 " and name "HD21")
OR { 7812}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "91 " and name "HD22")
OR { 7812}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "91 " and name "HD23")
OR { 7812}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "49 " and name "HG13")
OR { 7812}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "91 " and name "HD22")
OR { 7812}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "73 " and name "HD22")
OR { 7812}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "73 " and name "HD22")
OR { 7812}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "73 " and name "HD21")
OR { 7812}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "73 " and name "HD23")
OR { 7812}
(segid " " and resid "50 " and name "HE2 ")
(segid " " and resid "73 " and name "HD23")
ASSI { 7701}
(segid " " and resid "60 " and name "HE2 ")
(segid " " and resid "59 " and name "HB1 ")
3.500 1.500 1.500 peak 7701 weight 0.10000E+01 volume 0.33900E+00 ppm1 7.411 ppm2 0.910
OR { 7701}
(segid " " and resid "60 " and name "HE1 ")
(segid " " and resid "7 " and name "HG ")
OR { 7701}
(segid " " and resid "60 " and name "HE2 ")
(segid " " and resid "7 " and name "HG ")
OR { 7701}
(segid " " and resid "63 " and name "HA2 ")
(segid " " and resid "39 " and name "HD12")
OR { 7701}
(segid " " and resid "63 " and name "HA2 ")
(segid " " and resid "39 " and name "HD11")
OR { 7701}
(segid " " and resid "60 " and name "HE2 ")
(segid " " and resid "59 " and name "HB2 ")
OR { 7701}
(segid " " and resid "63 " and name "HA2 ")
(segid " " and resid "39 " and name "HD13")
ASSI { 7680}
(segid " " and resid "73 " and name "HG ")
(segid " " and resid "73 " and name "HD11")
2.200 0.600 0.600 peak 7680 weight 0.10000E+01 volume 0.19100E+01 ppm1 6.929 ppm2 0.776
OR { 7680}
(segid " " and resid "73 " and name "HG ")
(segid " " and resid "73 " and name "HD22")
OR { 7680}
(segid " " and resid "28 " and name "HG ")
(segid " " and resid "28 " and name "HD21")
OR { 7680}
(segid " " and resid "28 " and name "HG ")
(segid " " and resid "28 " and name "HD22")
OR { 7680}
(segid " " and resid "28 " and name "HG ")
(segid " " and resid "28 " and name "HD12")
OR { 7680}
(segid " " and resid "73 " and name "HG ")
(segid " " and resid "73 " and name "HD13")
OR { 7680}
(segid " " and resid "73 " and name "HG ")
(segid " " and resid "73 " and name "HD12")
OR { 7680}
(segid " " and resid "73 " and name "HG ")
(segid " " and resid "73 " and name "HD23")
OR { 7680}
(segid " " and resid "28 " and name "HG ")
(segid " " and resid "28 " and name "HD13")
ASSI { 7679}
(segid " " and resid "39 " and name "HG ")
(segid " " and resid "39 " and name "HD11")
2.500 0.800 0.800 peak 7679 weight 0.10000E+01 volume 0.68400E+00 ppm1 6.927 ppm2 1.000
OR { 7679}
(segid " " and resid "39 " and name "HG ")
(segid " " and resid "39 " and name "HD12")
OR { 7679}
(segid " " and resid "21 " and name "HG1 ")
(segid " " and resid "21 " and name "HB2 ")
OR { 7679}
(segid " " and resid "39 " and name "HG ")
(segid " " and resid "39 " and name "HD13")
ASSI { 7678}
(segid " " and resid "21 " and name "HG1 ")
(segid " " and resid "21 " and name "HB1 ")
2.100 0.600 0.600 peak 7678 weight 0.10000E+01 volume 0.10640E+01 ppm1 6.927 ppm2 1.516
OR { 7678}
(segid " " and resid "39 " and name "HG ")
(segid " " and resid "39 " and name "HB2 ")
OR { 7678}
(segid " " and resid "73 " and name "HG ")
(segid " " and resid "73 " and name "HB2 ")
ASSI { 7675}
(segid " " and resid "48 " and name "HD1 ")
(segid " " and resid "48 " and name "HB1 ")
2.200 0.600 0.600 peak 7675 weight 0.10000E+01 volume 0.13630E+01 ppm1 6.920 ppm2 2.488
OR { 7675}
(segid " " and resid "37 " and name "HG2 ")
(segid " " and resid "37 " and name "HD2 ")
OR { 7675}
(segid " " and resid "48 " and name "HD2 ")
(segid " " and resid "48 " and name "HB1 ")
ASSI { 7673}
(segid " " and resid "76 " and name "HG1 ")
(segid " " and resid "76 " and name "HD2 ")
2.000 0.500 0.500 peak 7673 weight 0.10000E+01 volume 0.15140E+01 ppm1 6.922 ppm2 3.181
OR { 7673}
(segid " " and resid "76 " and name "HG2 ")
(segid " " and resid "76 " and name "HD2 ")
OR { 7673}
(segid " " and resid "76 " and name "HG1 ")
(segid " " and resid "76 " and name "HD1 ")
OR { 7673}
(segid " " and resid "56 " and name "HG2 ")
(segid " " and resid "56 " and name "HD1 ")
OR { 7673}
(segid " " and resid "58 " and name "HG1 ")
(segid " " and resid "58 " and name "HD1 ")
OR { 7673}
(segid " " and resid "76 " and name "HG2 ")
(segid " " and resid "76 " and name "HD1 ")
ASSI { 7676}
(segid " " and resid "79 " and name "HD1 ")
(segid " " and resid "79 " and name "HB2 ")
2.100 0.600 0.600 peak 7676 weight 0.10000E+01 volume 0.16360E+01 ppm1 6.935 ppm2 2.008
OR { 7676}
(segid " " and resid "56 " and name "HG1 ")
(segid " " and resid "56 " and name "HB1 ")
OR { 7676}
(segid " " and resid "56 " and name "HG2 ")
(segid " " and resid "56 " and name "HB1 ")
ASSI { 7824}
(segid " " and resid "37 " and name "HG2 ")
(segid " " and resid "37 " and name "HN ")
2.700 0.900 0.900 peak 7824 weight 0.10000E+01 volume 0.45500E+00 ppm1 6.939 ppm2 -0.050
OR { 7824}
(segid " " and resid "86 " and name "HG1 ")
(segid " " and resid "87 " and name "HN ")
ASSI { 7674}
(segid " " and resid "84 " and name "HG11")
(segid " " and resid "81 " and name "HD2 ")
2.400 0.700 0.700 peak 7674 weight 0.10000E+01 volume 0.15230E+01 ppm1 6.939 ppm2 2.697
OR { 7674}
(segid " " and resid "79 " and name "HD2 ")
(segid " " and resid "79 " and name "HB1 ")
OR { 7674}
(segid " " and resid "79 " and name "HD1 ")
(segid " " and resid "79 " and name "HB1 ")
ASSI { 7797}
(segid " " and resid "34 " and name "HG1 ")
(segid " " and resid "34 " and name "HB1 ")
2.200 0.600 0.600 peak 7797 weight 0.10000E+01 volume 0.97800E+00 ppm1 6.798 ppm2 2.091
OR { 7797}
(segid " " and resid "106 " and name "HD2 ")
(segid " " and resid "3 " and name "HB1 ")
ASSI { 7796}
(segid " " and resid "106 " and name "HD1 ")
(segid " " and resid "102 " and name "HE2 ")
2.400 0.700 0.700 peak 7796 weight 0.10000E+01 volume 0.79300E+00 ppm1 6.797 ppm2 2.441
OR { 7796}
(segid " " and resid "106 " and name "HD1 ")
(segid " " and resid "102 " and name "HE1 ")
OR { 7796}
(segid " " and resid "106 " and name "HD2 ")
(segid " " and resid "108 " and name "HG1 ")
OR { 7796}
(segid " " and resid "37 " and name "HG2 ")
(segid " " and resid "4 " and name "HG2 ")
OR { 7796}
(segid " " and resid "106 " and name "HD2 ")
(segid " " and resid "108 " and name "HG2 ")
ASSI { 7793}
(segid " " and resid "28 " and name "HG ")
(segid " " and resid "28 " and name "HA ")
2.500 0.800 0.800 peak 7793 weight 0.10000E+01 volume 0.13270E+01 ppm1 6.801 ppm2 4.347
OR { 7793}
(segid " " and resid "41 " and name "HG11")
(segid " " and resid "41 " and name "HA ")
OR { 7793}
(segid " " and resid "37 " and name "HG2 ")
(segid " " and resid "37 " and name "HA ")
ASSI { 7735}
(segid " " and resid "84 " and name "HG11")
(segid " " and resid "84 " and name "HG12")
2.400 0.700 0.700 peak 7735 weight 0.10000E+01 volume 0.49300E+00 ppm1 6.851 ppm2 1.286
OR { 7735}
(segid " " and resid "34 " and name "HG1 ")
(segid " " and resid "34 " and name "HG2 ")
ASSI { 7821}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HN ")
3.000 1.100 1.100 peak 7821 weight 0.10000E+01 volume 0.22000E+00 ppm1 7.353 ppm2 -0.062
OR { 7821}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HN ")
OR { 7821}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "98 " and name "HN ")
OR { 7821}
(segid " " and resid "38 " and name "HD2 ")
(segid " " and resid "37 " and name "HN ")
ASSI { 7653}
(segid " " and resid "93 " and name "HG1 ")
(segid " " and resid "93 " and name "HD1 ")
2.000 0.500 0.500 peak 7653 weight 0.10000E+01 volume 0.20900E+01 ppm1 7.359 ppm2 3.793
OR { 7653}
(segid " " and resid "38 " and name "HD2 ")
(segid " " and resid "38 " and name "HB1 ")
OR { 7653}
(segid " " and resid "38 " and name "HD1 ")
(segid " " and resid "38 " and name "HB1 ")
ASSI { 7652}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "51 " and name "HB1 ")
2.900 1.100 1.100 peak 7652 weight 0.10000E+01 volume 0.34400E+00 ppm1 7.361 ppm2 4.050
OR { 7652}
(segid " " and resid "3 " and name "HG1 ")
(segid " " and resid "3 " and name "HA ")
ASSI { 7651}
(segid " " and resid "38 " and name "HD2 ")
(segid " " and resid "80 " and name "HA ")
2.900 1.100 1.100 peak 7651 weight 0.10000E+01 volume 0.10850E+01 ppm1 7.362 ppm2 5.266
OR { 7651}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "10 " and name "HA ")
OR { 7651}
(segid " " and resid "38 " and name "HD1 ")
(segid " " and resid "80 " and name "HA ")
ASSI { 7822}
(segid " " and resid "3 " and name "HG1 ")
(segid " " and resid "106 " and name "HE2 ")
3.600 1.600 1.600 peak 7822 weight 0.10000E+01 volume 0.34900E+00 ppm1 7.356 ppm2 6.589
OR { 7822}
(segid " " and resid "38 " and name "HD1 ")
(segid " " and resid "38 " and name "HZ ")
OR { 7822}
(segid " " and resid "38 " and name "HD2 ")
(segid " " and resid "38 " and name "HZ ")
ASSI { 7655}
(segid " " and resid "3 " and name "HG1 ")
(segid " " and resid "3 " and name "HG2 ")
2.300 0.700 0.700 peak 7655 weight 0.10000E+01 volume 0.73900E+00 ppm1 7.358 ppm2 1.869
OR { 7655}
(segid " " and resid "93 " and name "HG1 ")
(segid " " and resid "93 " and name "HG2 ")
ASSI { 7819}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HN ")
2.800 1.000 1.000 peak 7819 weight 0.10000E+01 volume 0.31000E+00 ppm1 7.079 ppm2 -0.041
OR { 7819}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HN ")
OR { 7819}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "98 " and name "HN ")
ASSI { 7818}
(segid " " and resid "105 " and name "HD1 ")
(segid " " and resid "105 " and name "HB1 ")
2.200 0.600 0.600 peak 7818 weight 0.10000E+01 volume 0.12970E+01 ppm1 7.081 ppm2 2.918
OR { 7818}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE1 ")
OR { 7818}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 7818}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 7818}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 7788}
(segid " " and resid "80 " and name "HD1 ")
(segid " " and resid "84 " and name "HD12")
3.000 1.100 1.100 peak 7788 weight 0.10000E+01 volume 0.10080E+01 ppm1 6.930 ppm2 0.680
OR { 7788}
(segid " " and resid "80 " and name "HD1 ")
(segid " " and resid "84 " and name "HD13")
OR { 7788}
(segid " " and resid "80 " and name "HD2 ")
(segid " " and resid "41 " and name "HG12")
OR { 7788}
(segid " " and resid "80 " and name "HD1 ")
(segid " " and resid "84 " and name "HD11")
ASSI { 7787}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "100 " and name "HG23")
2.300 0.700 0.700 peak 7787 weight 0.10000E+01 volume 0.21430E+01 ppm1 6.932 ppm2 0.871
OR { 7787}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "100 " and name "HG21")
OR { 7787}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "53 " and name "HD13")
OR { 7787}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "100 " and name "HG22")
OR { 7787}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "53 " and name "HD13")
OR { 7787}
(segid " " and resid "80 " and name "HD1 ")
(segid " " and resid "85 " and name "HG23")
OR { 7787}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "53 " and name "HD11")
OR { 7787}
(segid " " and resid "80 " and name "HD1 ")
(segid " " and resid "85 " and name "HG21")
ASSI { 7786}
(segid " " and resid "80 " and name "HD2 ")
(segid " " and resid "39 " and name "HD11")
2.300 0.700 0.700 peak 7786 weight 0.10000E+01 volume 0.25930E+01 ppm1 6.930 ppm2 0.975
OR { 7786}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "100 " and name "HG23")
OR { 7786}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "100 " and name "HG21")
OR { 7786}
(segid " " and resid "80 " and name "HD2 ")
(segid " " and resid "39 " and name "HD13")
OR { 7786}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "53 " and name "HD13")
OR { 7786}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "100 " and name "HG22")
OR { 7786}
(segid " " and resid "80 " and name "HD2 ")
(segid " " and resid "39 " and name "HD12")
ASSI { 7782}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
1.900 0.500 0.500 peak 7782 weight 0.10000E+01 volume 0.24020E+01 ppm1 6.935 ppm2 2.523
OR { 7782}
(segid " " and resid "80 " and name "HD1 ")
(segid " " and resid "80 " and name "HB2 ")
OR { 7782}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 7782}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 7781}
(segid " " and resid "80 " and name "HD2 ")
(segid " " and resid "80 " and name "HB1 ")
1.900 0.500 0.500 peak 7781 weight 0.10000E+01 volume 0.24210E+01 ppm1 6.934 ppm2 3.483
OR { 7781}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 7781}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 7781}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 7780}
(segid " " and resid "10 " and name "HG1 ")
(segid " " and resid "99 " and name "HA ")
3.300 1.400 1.400 peak 7780 weight 0.10000E+01 volume 0.26000E+00 ppm1 6.932 ppm2 4.677
OR { 7780}
(segid " " and resid "80 " and name "HD1 ")
(segid " " and resid "81 " and name "HA ")
ASSI { 6601}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "53 " and name "HD13")
2.700 0.900 0.900 peak 6601 weight 0.10000E+01 volume 0.92800E+00 ppm1 7.406 ppm2 0.801
OR { 6601}
(segid " " and resid "31 " and name "HD2 ")
(segid " " and resid "84 " and name "HG21")
OR { 6601}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "53 " and name "HD12")
OR { 6601}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "53 " and name "HD11")
OR { 6601}
(segid " " and resid "31 " and name "HD2 ")
(segid " " and resid "84 " and name "HG22")
OR { 6601}
(segid " " and resid "16 " and name "HB2 ")
(segid " " and resid "96 " and name "HG13")
OR { 6601}
(segid " " and resid "16 " and name "HB2 ")
(segid " " and resid "96 " and name "HG12")
ASSI { 6096}
(segid " " and resid "31 " and name "HD1 ")
(segid " " and resid "31 " and name "HB1 ")
1.800 0.400 0.400 peak 6096 weight 0.10000E+01 volume 0.35180E+01 ppm1 7.405 ppm2 2.656
OR { 6096}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 6096}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 6096}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 6646}
(segid " " and resid "16 " and name "HB2 ")
(segid " " and resid "96 " and name "HG11")
2.700 0.900 0.900 peak 6646 weight 0.10000E+01 volume 0.15170E+01 ppm1 7.405 ppm2 0.689
OR { 6646}
(segid " " and resid "31 " and name "HD1 ")
(segid " " and resid "84 " and name "HD13")
OR { 6646}
(segid " " and resid "31 " and name "HD2 ")
(segid " " and resid "84 " and name "HD11")
OR { 6646}
(segid " " and resid "31 " and name "HD2 ")
(segid " " and resid "84 " and name "HD13")
OR { 6646}
(segid " " and resid "16 " and name "HB2 ")
(segid " " and resid "96 " and name "HG13")
OR { 6646}
(segid " " and resid "31 " and name "HD1 ")
(segid " " and resid "41 " and name "HG12")
OR { 6646}
(segid " " and resid "16 " and name "HB2 ")
(segid " " and resid "96 " and name "HG12")
OR { 6646}
(segid " " and resid "31 " and name "HD2 ")
(segid " " and resid "84 " and name "HD12")
ASSI { 5858}
(segid " " and resid "31 " and name "HD1 ")
(segid " " and resid "40 " and name "HA ")
3.000 1.100 1.100 peak 5858 weight 0.10000E+01 volume 0.66900E+00 ppm1 7.409 ppm2 4.929
OR { 5858}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HA ")
ASSI { 6038}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
1.900 0.500 0.500 peak 6038 weight 0.10000E+01 volume 0.23460E+01 ppm1 7.410 ppm2 2.919
OR { 6038}
(segid " " and resid "31 " and name "HD2 ")
(segid " " and resid "31 " and name "HB2 ")
OR { 6038}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 6038}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 5125}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "24 " and name "HG2 ")
3.000 1.100 1.100 peak 5125 weight 0.10000E+01 volume 0.57000E+00 ppm1 6.684 ppm2 2.038
OR { 5125}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "3 " and name "HB1 ")
OR { 5125}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "3 " and name "HG1 ")
ASSI { 5119}
(segid " " and resid "79 " and name "HE1 ")
(segid " " and resid "37 " and name "HD1 ")
3.000 1.100 1.100 peak 5119 weight 0.10000E+01 volume 0.62300E+00 ppm1 6.686 ppm2 3.560
OR { 5119}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "2 " and name "HA2 ")
OR { 5119}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "3 " and name "HD1 ")
ASSI { 5118}
(segid " " and resid "79 " and name "HE1 ")
(segid " " and resid "37 " and name "HA ")
3.300 1.400 1.400 peak 5118 weight 0.10000E+01 volume 0.80600E+00 ppm1 6.683 ppm2 4.253
OR { 5118}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "108 " and name "HA ")
OR { 5118}
(segid " " and resid "79 " and name "HE1 ")
(segid " " and resid "78 " and name "HA1 ")
ASSI { 3726}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "38 " and name "HB1 ")
2.700 0.900 0.900 peak 3726 weight 0.10000E+01 volume 0.11240E+01 ppm1 6.935 ppm2 3.781
OR { 3726}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "34 " and name "HD1 ")
ASSI { 3744}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "34 " and name "HD2 ")
3.000 1.100 1.100 peak 3744 weight 0.10000E+01 volume 0.61000E+00 ppm1 6.937 ppm2 3.203
OR { 3744}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "38 " and name "HB2 ")
ASSI { 5123}
(segid " " and resid "79 " and name "HE1 ")
(segid " " and resid "37 " and name "HD2 ")
3.400 1.400 1.400 peak 5123 weight 0.10000E+01 volume 0.29900E+00 ppm1 6.672 ppm2 2.659
OR { 5123}
(segid " " and resid "79 " and name "HE2 ")
(segid " " and resid "79 " and name "HB1 ")
ASSI { 7168}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "21 " and name "HG2 ")
3.600 1.600 1.600 peak 7168 weight 0.10000E+01 volume 0.21000E+00 ppm1 6.774 ppm2 1.398
OR { 7168}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "91 " and name "HG ")
OR { 7168}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "21 " and name "HG2 ")
ASSI { 3743}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "81 " and name "HD2 ")
3.400 1.400 1.400 peak 3743 weight 0.10000E+01 volume 0.29900E+00 ppm1 6.933 ppm2 2.672
OR { 3743}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "31 " and name "HB1 ")
OR { 3743}
(segid " " and resid "31 " and name "HE2 ")
(segid " " and resid "81 " and name "HD2 ")
ASSI { 3747}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "33 " and name "HB2 ")
3.700 1.700 1.700 peak 3747 weight 0.10000E+01 volume 0.49100E+00 ppm1 6.934 ppm2 1.325
OR { 3747}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "34 " and name "HG2 ")
OR { 3747}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "33 " and name "HB3 ")
OR { 3747}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "33 " and name "HB1 ")
ASSI { 4143}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "106 " and name "HA ")
3.200 1.300 1.300 peak 4143 weight 0.10000E+01 volume 0.97600E+00 ppm1 6.773 ppm2 4.407
OR { 4143}
(segid " " and resid "69 " and name "HE1 ")
(segid " " and resid "69 " and name "HA ")
OR { 4143}
(segid " " and resid "69 " and name "HE2 ")
(segid " " and resid "69 " and name "HA ")
OR { 4143}
(segid " " and resid "70 " and name "HE2 ")
(segid " " and resid "70 " and name "HA ")
OR { 4143}
(segid " " and resid "70 " and name "HE1 ")
(segid " " and resid "70 " and name "HA ")
ASSI { 7002}
(segid " " and resid "70 " and name "HE1 ")
(segid " " and resid "68 " and name "HB2 ")
3.900 1.900 1.900 peak 7002 weight 0.10000E+01 volume 0.11900E+00 ppm1 6.771 ppm2 2.634
OR { 7002}
(segid " " and resid "70 " and name "HE1 ")
(segid " " and resid "68 " and name "HB1 ")
OR { 7002}
(segid " " and resid "69 " and name "HE1 ")
(segid " " and resid "68 " and name "HB2 ")
OR { 7002}
(segid " " and resid "69 " and name "HE1 ")
(segid " " and resid "68 " and name "HB1 ")
OR { 7002}
(segid " " and resid "70 " and name "HE2 ")
(segid " " and resid "68 " and name "HB1 ")
OR { 7002}
(segid " " and resid "70 " and name "HE2 ")
(segid " " and resid "68 " and name "HB2 ")
OR { 7002}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "4 " and name "HG1 ")
OR { 7002}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "1 " and name "HG1 ")
OR { 7002}
(segid " " and resid "69 " and name "HE2 ")
(segid " " and resid "72 " and name "HB2 ")
OR { 7002}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "1 " and name "HG2 ")
ASSI { 6270}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "48 " and name "HA ")
4.600 2.600 1.400 peak 6270 weight 0.10000E+01 volume 0.11000E+00 ppm1 6.775 ppm2 4.901
OR { 6270}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "24 " and name "HA ")
OR { 6270}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "48 " and name "HA ")
OR { 6270}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "24 " and name "HA ")
ASSI { 7167}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "21 " and name "HB1 ")
3.500 1.500 1.500 peak 7167 weight 0.10000E+01 volume 0.24100E+00 ppm1 6.777 ppm2 1.524
OR { 7167}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "91 " and name "HB2 ")
OR { 7167}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "91 " and name "HG ")
OR { 7167}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "21 " and name "HB1 ")
OR { 7167}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "91 " and name "HG ")
ASSI { 4812}
(segid " " and resid "42 " and name "HD2 ")
(segid " " and resid "40 " and name "HG23")
4.500 2.500 1.500 peak 4812 weight 0.10000E+01 volume 0.16000E+00 ppm1 7.213 ppm2 1.236
OR { 4812}
(segid " " and resid "42 " and name "HD2 ")
(segid " " and resid "40 " and name "HG21")
OR { 4812}
(segid " " and resid "42 " and name "HD2 ")
(segid " " and resid "40 " and name "HG22")
OR { 4812}
(segid " " and resid "20 " and name "HD2 ")
(segid " " and resid "14 " and name "HB3 ")
OR { 4812}
(segid " " and resid "20 " and name "HD2 ")
(segid " " and resid "14 " and name "HB2 ")
OR { 4812}
(segid " " and resid "20 " and name "HD2 ")
(segid " " and resid "14 " and name "HB1 ")
ASSI { 4456}
(segid " " and resid "20 " and name "HD2 ")
(segid " " and resid "21 " and name "HD2 ")
3.300 1.400 1.400 peak 4456 weight 0.10000E+01 volume 0.31700E+00 ppm1 7.309 ppm2 3.317
OR { 4456}
(segid " " and resid "20 " and name "HD2 ")
(segid " " and resid "20 " and name "HB1 ")
ASSI { 7844}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "100 " and name "HG21")
3.100 1.200 1.200 peak 7844 weight 0.10000E+01 volume 0.11770E+01 ppm1 6.915 ppm2 0.921
OR { 7844}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "100 " and name "HG22")
OR { 7844}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "53 " and name "HD12")
OR { 7844}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "100 " and name "HG23")
OR { 7844}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "53 " and name "HD11")
ASSI { 7543}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "6 " and name "HD1 ")
3.800 1.800 1.800 peak 7543 weight 0.10000E+01 volume 0.20000E+00 ppm1 6.906 ppm2 1.730
OR { 7543}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "11 " and name "HD1 ")
OR { 7543}
(segid " " and resid "105 " and name "HE1 ")
(segid " " and resid "6 " and name "HD1 ")
OR { 7543}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "8 " and name "HB2 ")
OR { 7543}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "8 " and name "HB3 ")
OR { 7543}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "8 " and name "HB1 ")
ASSI { 4801}
(segid " " and resid "41 " and name "HD12")
(segid " " and resid "41 " and name "HG12")
2.200 0.600 0.600 peak 4801 weight 0.10000E+01 volume 0.51290E+01 ppm1 0.292 ppm2 0.694
OR { 4801}
(segid " " and resid "41 " and name "HD11")
(segid " " and resid "41 " and name "HG12")
OR { 4801}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "41 " and name "HG12")
OR { 4801}
(segid " " and resid "41 " and name "HD11")
(segid " " and resid "84 " and name "HD13")
ASSI { 4799}
(segid " " and resid "41 " and name "HD12")
(segid " " and resid "39 " and name "HD13")
3.000 1.100 1.100 peak 4799 weight 0.10000E+01 volume 0.19610E+01 ppm1 0.295 ppm2 0.987
OR { 4799}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "65 " and name "HG21")
OR { 4799}
(segid " " and resid "41 " and name "HD12")
(segid " " and resid "39 " and name "HD11")
OR { 4799}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "39 " and name "HD13")
OR { 4799}
(segid " " and resid "41 " and name "HD12")
(segid " " and resid "39 " and name "HD12")
OR { 4799}
(segid " " and resid "41 " and name "HD11")
(segid " " and resid "39 " and name "HD13")
OR { 4799}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "65 " and name "HG23")
OR { 4799}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "39 " and name "HD11")
OR { 4799}
(segid " " and resid "41 " and name "HD12")
(segid " " and resid "65 " and name "HG11")
OR { 4799}
(segid " " and resid "41 " and name "HD11")
(segid " " and resid "39 " and name "HD11")
OR { 4799}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "39 " and name "HD12")
OR { 4799}
(segid " " and resid "41 " and name "HD11")
(segid " " and resid "39 " and name "HD12")
ASSI { 4797}
(segid " " and resid "41 " and name "HD12")
(segid " " and resid "39 " and name "HB1 ")
2.900 1.100 1.100 peak 4797 weight 0.10000E+01 volume 0.70000E+00 ppm1 0.287 ppm2 1.639
OR { 4797}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "47 " and name "HB ")
OR { 4797}
(segid " " and resid "41 " and name "HD11")
(segid " " and resid "84 " and name "HG11")
OR { 4797}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "39 " and name "HB1 ")
OR { 4797}
(segid " " and resid "41 " and name "HD11")
(segid " " and resid "39 " and name "HB1 ")
ASSI { 5205}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "59 " and name "HB2 ")
3.900 1.900 1.900 peak 5205 weight 0.10000E+01 volume 0.19800E+00 ppm1 7.024 ppm2 0.797
OR { 5205}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "53 " and name "HD23")
OR { 5205}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "53 " and name "HD22")
OR { 5205}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "53 " and name "HD23")
OR { 5205}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "53 " and name "HD21")
OR { 5205}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "59 " and name "HB2 ")
ASSI { 5204}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "57 " and name "HA1 ")
3.500 1.500 1.500 peak 5204 weight 0.10000E+01 volume 0.57100E+00 ppm1 7.024 ppm2 4.662
OR { 5204}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "81 " and name "HA ")
ASSI { 5193}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "59 " and name "HB1 ")
3.600 1.600 1.600 peak 5193 weight 0.10000E+01 volume 0.23500E+00 ppm1 7.024 ppm2 0.917
OR { 5193}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "7 " and name "HG ")
OR { 5193}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "7 " and name "HG ")
OR { 5193}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "59 " and name "HB2 ")
OR { 5193}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "59 " and name "HB2 ")
ASSI { 4924}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "59 " and name "HG ")
3.700 1.700 1.700 peak 4924 weight 0.10000E+01 volume 0.19200E+00 ppm1 7.122 ppm2 1.278
OR { 4924}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "14 " and name "HB3 ")
OR { 4924}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "74 " and name "HB2 ")
OR { 4924}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "77 " and name "HG ")
OR { 4924}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "77 " and name "HB2 ")
OR { 4924}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "22 " and name "HB ")
OR { 4924}
(segid " " and resid "50 " and name "HE2 ")
(segid " " and resid "77 " and name "HG ")
OR { 4924}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "77 " and name "HG ")
OR { 4924}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "74 " and name "HB3 ")
OR { 4924}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "77 " and name "HG ")
OR { 4924}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "14 " and name "HB1 ")
OR { 4924}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "14 " and name "HB2 ")
OR { 4924}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "77 " and name "HB1 ")
OR { 4924}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "74 " and name "HB1 ")
OR { 4924}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "59 " and name "HG ")
ASSI { 5109}
(segid " " and resid "48 " and name "HD2 ")
(segid " " and resid "66 " and name "HB2 ")
3.200 1.300 1.300 peak 5109 weight 0.10000E+01 volume 0.48100E+00 ppm1 6.917 ppm2 1.861
OR { 5109}
(segid " " and resid "79 " and name "HD2 ")
(segid " " and resid "53 " and name "HG ")
OR { 5109}
(segid " " and resid "48 " and name "HD2 ")
(segid " " and resid "24 " and name "HB2 ")
OR { 5109}
(segid " " and resid "48 " and name "HD2 ")
(segid " " and resid "24 " and name "HB1 ")
OR { 5109}
(segid " " and resid "48 " and name "HD1 ")
(segid " " and resid "66 " and name "HB2 ")
OR { 5109}
(segid " " and resid "48 " and name "HD1 ")
(segid " " and resid "24 " and name "HB1 ")
ASSI { 5095}
(segid " " and resid "79 " and name "HD1 ")
(segid " " and resid "37 " and name "HB2 ")
3.300 1.400 1.400 peak 5095 weight 0.10000E+01 volume 0.36900E+00 ppm1 6.915 ppm2 1.494
OR { 5095}
(segid " " and resid "48 " and name "HD1 ")
(segid " " and resid "21 " and name "HG2 ")
OR { 5095}
(segid " " and resid "48 " and name "HD1 ")
(segid " " and resid "21 " and name "HB1 ")
OR { 5095}
(segid " " and resid "48 " and name "HD2 ")
(segid " " and resid "21 " and name "HB1 ")
ASSI { 5096}
(segid " " and resid "79 " and name "HD2 ")
(segid " " and resid "53 " and name "HD23")
3.400 1.400 1.400 peak 5096 weight 0.10000E+01 volume 0.83700E+00 ppm1 6.918 ppm2 0.765
OR { 5096}
(segid " " and resid "48 " and name "HD2 ")
(segid " " and resid "91 " and name "HD22")
OR { 5096}
(segid " " and resid "79 " and name "HD2 ")
(segid " " and resid "53 " and name "HD21")
OR { 5096}
(segid " " and resid "48 " and name "HD2 ")
(segid " " and resid "91 " and name "HD21")
OR { 5096}
(segid " " and resid "79 " and name "HD1 ")
(segid " " and resid "53 " and name "HD21")
OR { 5096}
(segid " " and resid "79 " and name "HD2 ")
(segid " " and resid "53 " and name "HD22")
OR { 5096}
(segid " " and resid "48 " and name "HD2 ")
(segid " " and resid "91 " and name "HD23")
ASSI { 5633}
(segid " " and resid "106 " and name "HD1 ")
(segid " " and resid "102 " and name "HE2 ")
3.400 1.400 1.400 peak 5633 weight 0.10000E+01 volume 0.26400E+00 ppm1 6.791 ppm2 2.424
OR { 5633}
(segid " " and resid "106 " and name "HD1 ")
(segid " " and resid "102 " and name "HE1 ")
OR { 5633}
(segid " " and resid "106 " and name "HD2 ")
(segid " " and resid "108 " and name "HG1 ")
ASSI { 5216}
(segid " " and resid "70 " and name "HD1 ")
(segid " " and resid "70 " and name "HB2 ")
2.500 0.800 0.800 peak 5216 weight 0.10000E+01 volume 0.19620E+01 ppm1 7.008 ppm2 2.831
OR { 5216}
(segid " " and resid "105 " and name "HD1 ")
(segid " " and resid "105 " and name "HB1 ")
OR { 5216}
(segid " " and resid "105 " and name "HD2 ")
(segid " " and resid "105 " and name "HB1 ")
OR { 5216}
(segid " " and resid "70 " and name "HD2 ")
(segid " " and resid "70 " and name "HB2 ")
ASSI { 5215}
(segid " " and resid "105 " and name "HD1 ")
(segid " " and resid "105 " and name "HB1 ")
2.500 0.800 0.800 peak 5215 weight 0.10000E+01 volume 0.17700E+01 ppm1 7.008 ppm2 3.015
OR { 5215}
(segid " " and resid "70 " and name "HD2 ")
(segid " " and resid "70 " and name "HB1 ")
OR { 5215}
(segid " " and resid "70 " and name "HD1 ")
(segid " " and resid "70 " and name "HB1 ")
OR { 5215}
(segid " " and resid "105 " and name "HD2 ")
(segid " " and resid "105 " and name "HB1 ")
ASSI { 5116}
(segid " " and resid "69 " and name "HD2 ")
(segid " " and resid "74 " and name "HB3 ")
3.900 1.900 1.900 peak 5116 weight 0.10000E+01 volume 0.26700E+00 ppm1 6.856 ppm2 1.267
OR { 5116}
(segid " " and resid "106 " and name "HD1 ")
(segid " " and resid "102 " and name "HD1 ")
OR { 5116}
(segid " " and resid "106 " and name "HD1 ")
(segid " " and resid "102 " and name "HD2 ")
OR { 5116}
(segid " " and resid "69 " and name "HD1 ")
(segid " " and resid "74 " and name "HB1 ")
OR { 5116}
(segid " " and resid "69 " and name "HD1 ")
(segid " " and resid "74 " and name "HB3 ")
ASSI { 4731}
(segid " " and resid "38 " and name "HD2 ")
(segid " " and resid "34 " and name "HG2 ")
3.500 1.500 1.500 peak 4731 weight 0.10000E+01 volume 0.65900E+00 ppm1 7.352 ppm2 1.324
OR { 4731}
(segid " " and resid "38 " and name "HD1 ")
(segid " " and resid "34 " and name "HG2 ")
OR { 4731}
(segid " " and resid "38 " and name "HD1 ")
(segid " " and resid "33 " and name "HB3 ")
OR { 4731}
(segid " " and resid "38 " and name "HD2 ")
(segid " " and resid "33 " and name "HB1 ")
OR { 4731}
(segid " " and resid "38 " and name "HD1 ")
(segid " " and resid "33 " and name "HB2 ")
ASSI { 4730}
(segid " " and resid "38 " and name "HD1 ")
(segid " " and resid "37 " and name "HB2 ")
3.500 1.500 1.500 peak 4730 weight 0.10000E+01 volume 0.24400E+00 ppm1 7.354 ppm2 1.489
OR { 4730}
(segid " " and resid "38 " and name "HD2 ")
(segid " " and resid "34 " and name "HG1 ")
OR { 4730}
(segid " " and resid "38 " and name "HD1 ")
(segid " " and resid "34 " and name "HG1 ")
OR { 4730}
(segid " " and resid "38 " and name "HD2 ")
(segid " " and resid "37 " and name "HB2 ")
ASSI { 6252}
(segid " " and resid "105 " and name "HD2 ")
(segid " " and resid "100 " and name "HG21")
4.000 2.000 2.000 peak 6252 weight 0.10000E+01 volume 0.17600E+00 ppm1 7.083 ppm2 0.896
OR { 6252}
(segid " " and resid "105 " and name "HD2 ")
(segid " " and resid "100 " and name "HG22")
OR { 6252}
(segid " " and resid "105 " and name "HD2 ")
(segid " " and resid "100 " and name "HG23")
OR { 6252}
(segid " " and resid "105 " and name "HD2 ")
(segid " " and resid "53 " and name "HD12")
OR { 6252}
(segid " " and resid "105 " and name "HD1 ")
(segid " " and resid "100 " and name "HG21")
OR { 6252}
(segid " " and resid "105 " and name "HD2 ")
(segid " " and resid "53 " and name "HD13")
OR { 6252}
(segid " " and resid "105 " and name "HD2 ")
(segid " " and resid "7 " and name "HB2 ")
OR { 6252}
(segid " " and resid "105 " and name "HD2 ")
(segid " " and resid "7 " and name "HG ")
ASSI { 6250}
(segid " " and resid "105 " and name "HD2 ")
(segid " " and resid "104 " and name "HB1 ")
3.200 1.300 1.300 peak 6250 weight 0.10000E+01 volume 0.37100E+00 ppm1 7.065 ppm2 1.608
OR { 6250}
(segid " " and resid "105 " and name "HD1 ")
(segid " " and resid "6 " and name "HG1 ")
OR { 6250}
(segid " " and resid "105 " and name "HD1 ")
(segid " " and resid "104 " and name "HB1 ")
ASSI { 5267}
(segid " " and resid "80 " and name "HD1 ")
(segid " " and resid "84 " and name "HG11")
3.000 1.100 1.100 peak 5267 weight 0.10000E+01 volume 0.58100E+00 ppm1 6.925 ppm2 1.617
OR { 5267}
(segid " " and resid "80 " and name "HD2 ")
(segid " " and resid "39 " and name "HB1 ")
ASSI { 7527}
(segid " " and resid "80 " and name "HD1 ")
(segid " " and resid "61 " and name "HE3 ")
4.100 2.100 1.900 peak 7527 weight 0.10000E+01 volume 0.26500E+00 ppm1 6.929 ppm2 7.400
OR { 7527}
(segid " " and resid "80 " and name "HD2 ")
(segid " " and resid "31 " and name "HD1 ")
ASSI { 3748}
(segid " " and resid "31 " and name "HD1 ")
(segid " " and resid "41 " and name "HB ")
3.200 1.300 1.300 peak 3748 weight 0.10000E+01 volume 0.44100E+00 ppm1 7.401 ppm2 1.474
OR { 3748}
(segid " " and resid "31 " and name "HD1 ")
(segid " " and resid "39 " and name "HB2 ")
OR { 3748}
(segid " " and resid "31 " and name "HD1 ")
(segid " " and resid "41 " and name "HG11")
ASSI { 5392}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "81 " and name "HG2 ")
2.800 1.000 1.000 peak 5392 weight 0.10000E+01 volume 0.81700E+00 ppm1 0.671 ppm2 1.936
OR { 5392}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "81 " and name "HB2 ")
OR { 5392}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "81 " and name "HG2 ")
OR { 5392}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "29 " and name "HG1 ")
OR { 5392}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "29 " and name "HG1 ")
OR { 5392}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "81 " and name "HB2 ")
OR { 5392}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "81 " and name "HG2 ")
OR { 5392}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "81 " and name "HB2 ")
ASSI { 5388}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "81 " and name "HD1 ")
3.100 1.200 1.200 peak 5388 weight 0.10000E+01 volume 0.43500E+00 ppm1 0.672 ppm2 3.441
OR { 5388}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "80 " and name "HB1 ")
OR { 5388}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "80 " and name "HB1 ")
OR { 5388}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "80 " and name "HB1 ")
ASSI { 5386}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "31 " and name "HA ")
3.600 1.600 1.600 peak 5386 weight 0.10000E+01 volume 0.47700E+00 ppm1 0.672 ppm2 4.593
OR { 5386}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "27 " and name "HA ")
OR { 5386}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "31 " and name "HA ")
OR { 5386}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "31 " and name "HA ")
OR { 5386}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "27 " and name "HA ")
ASSI { 5384}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "31 " and name "HD1 ")
3.200 1.300 1.300 peak 5384 weight 0.10000E+01 volume 0.11410E+01 ppm1 0.673 ppm2 7.402
OR { 5384}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "31 " and name "HD2 ")
OR { 5384}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "31 " and name "HD2 ")
OR { 5384}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "31 " and name "HD2 ")
OR { 5384}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "29 " and name "HN ")
ASSI { 4521}
(segid " " and resid "22 " and name "HG22")
(segid " " and resid "94 " and name "HA1 ")
2.600 0.800 0.800 peak 4521 weight 0.10000E+01 volume 0.23170E+01 ppm1 0.782 ppm2 3.804
OR { 4521}
(segid " " and resid "22 " and name "HG21")
(segid " " and resid "94 " and name "HA1 ")
OR { 4521}
(segid " " and resid "22 " and name "HG23")
(segid " " and resid "94 " and name "HA1 ")
OR { 4521}
(segid " " and resid "22 " and name "HG22")
(segid " " and resid "23 " and name "HB1 ")
ASSI { 6536}
(segid " " and resid "24 " and name "HE1 ")
(segid " " and resid "24 " and name "HA ")
3.500 1.500 1.500 peak 6536 weight 0.10000E+01 volume 0.52700E+00 ppm1 1.839 ppm2 4.908
OR { 6536}
(segid " " and resid "24 " and name "HE3 ")
(segid " " and resid "24 " and name "HA ")
OR { 6536}
(segid " " and resid "24 " and name "HE2 ")
(segid " " and resid "24 " and name "HA ")
OR { 6536}
(segid " " and resid "24 " and name "HE3 ")
(segid " " and resid "26 " and name "HA ")
ASSI { 5380}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "29 " and name "HG1 ")
3.100 1.200 1.200 peak 5380 weight 0.10000E+01 volume 0.44400E+00 ppm1 0.792 ppm2 2.668
OR { 5380}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "81 " and name "HD2 ")
OR { 5380}
(segid " " and resid "84 " and name "HG23")
(segid " " and resid "29 " and name "HG1 ")
OR { 5380}
(segid " " and resid "84 " and name "HG23")
(segid " " and resid "29 " and name "HG2 ")
OR { 5380}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "29 " and name "HG2 ")
ASSI { 5376}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "31 " and name "HE2 ")
4.100 2.100 1.900 peak 5376 weight 0.10000E+01 volume 0.23500E+00 ppm1 0.794 ppm2 6.939
OR { 5376}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "31 " and name "HE2 ")
OR { 5376}
(segid " " and resid "84 " and name "HG23")
(segid " " and resid "29 " and name "HE22")
OR { 5376}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "29 " and name "HE22")
ASSI { 5377}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "31 " and name "HA ")
3.900 1.900 1.900 peak 5377 weight 0.10000E+01 volume 0.29400E+00 ppm1 0.795 ppm2 4.570
OR { 5377}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "81 " and name "HA ")
OR { 5377}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "31 " and name "HA ")
OR { 5377}
(segid " " and resid "84 " and name "HG23")
(segid " " and resid "31 " and name "HA ")
OR { 5377}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "29 " and name "HA ")
OR { 5377}
(segid " " and resid "84 " and name "HG23")
(segid " " and resid "81 " and name "HA ")
ASSI { 5375}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "31 " and name "HD2 ")
3.500 1.500 1.500 peak 5375 weight 0.10000E+01 volume 0.52300E+00 ppm1 0.792 ppm2 7.404
OR { 5375}
(segid " " and resid "84 " and name "HG23")
(segid " " and resid "31 " and name "HD2 ")
OR { 5375}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "29 " and name "HN ")
ASSI { 5221}
(segid " " and resid "74 " and name "HB2 ")
(segid " " and resid "74 " and name "HA ")
2.300 0.700 0.700 peak 5221 weight 0.10000E+01 volume 0.69780E+01 ppm1 1.260 ppm2 4.129
OR { 5221}
(segid " " and resid "75 " and name "HB3 ")
(segid " " and resid "75 " and name "HA ")
OR { 5221}
(segid " " and resid "75 " and name "HB1 ")
(segid " " and resid "75 " and name "HA ")
OR { 5221}
(segid " " and resid "74 " and name "HB3 ")
(segid " " and resid "74 " and name "HA ")
OR { 5221}
(segid " " and resid "74 " and name "HB1 ")
(segid " " and resid "74 " and name "HA ")
ASSI { 7174}
(segid " " and resid "14 " and name "HB3 ")
(segid " " and resid "50 " and name "HD2 ")
4.200 2.200 1.800 peak 7174 weight 0.10000E+01 volume 0.23800E+00 ppm1 1.265 ppm2 7.131
OR { 7174}
(segid " " and resid "74 " and name "HB2 ")
(segid " " and resid "50 " and name "HE1 ")
OR { 7174}
(segid " " and resid "74 " and name "HB2 ")
(segid " " and resid "50 " and name "HZ ")
OR { 7174}
(segid " " and resid "74 " and name "HB3 ")
(segid " " and resid "50 " and name "HZ ")
OR { 7174}
(segid " " and resid "74 " and name "HB3 ")
(segid " " and resid "50 " and name "HE1 ")
OR { 7174}
(segid " " and resid "14 " and name "HB1 ")
(segid " " and resid "50 " and name "HD2 ")
OR { 7174}
(segid " " and resid "74 " and name "HB1 ")
(segid " " and resid "50 " and name "HZ ")
OR { 7174}
(segid " " and resid "14 " and name "HB2 ")
(segid " " and resid "50 " and name "HD2 ")
OR { 7174}
(segid " " and resid "74 " and name "HB1 ")
(segid " " and resid "50 " and name "HE1 ")
OR { 7174}
(segid " " and resid "74 " and name "HB3 ")
(segid " " and resid "50 " and name "HD1 ")
ASSI { 4783}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "43 " and name "HA ")
4.100 2.100 1.900 peak 4783 weight 0.10000E+01 volume 0.12400E+00 ppm1 0.694 ppm2 3.223
OR { 4783}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "42 " and name "HB1 ")
OR { 4783}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "42 " and name "HB1 ")
OR { 4783}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "42 " and name "HB1 ")
ASSI { 5403}
(segid " " and resid "85 " and name "HG22")
(segid " " and resid "85 " and name "HN ")
3.400 1.400 1.400 peak 5403 weight 0.10000E+01 volume 0.69400E+00 ppm1 0.851 ppm2 7.424
OR { 5403}
(segid " " and resid "85 " and name "HG23")
(segid " " and resid "85 " and name "HN ")
OR { 5403}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "61 " and name "HE3 ")
OR { 5403}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "85 " and name "HN ")
ASSI { 5404}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "61 " and name "HH2 ")
3.500 1.500 1.500 peak 5404 weight 0.10000E+01 volume 0.70400E+00 ppm1 0.851 ppm2 7.143
OR { 5404}
(segid " " and resid "85 " and name "HG23")
(segid " " and resid "80 " and name "HZ ")
OR { 5404}
(segid " " and resid "85 " and name "HG22")
(segid " " and resid "61 " and name "HH2 ")
OR { 5404}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "80 " and name "HZ ")
ASSI { 5409}
(segid " " and resid "85 " and name "HG22")
(segid " " and resid "27 " and name "HA ")
4.200 2.200 1.800 peak 5409 weight 0.10000E+01 volume 0.17900E+00 ppm1 0.849 ppm2 4.558
OR { 5409}
(segid " " and resid "85 " and name "HG23")
(segid " " and resid "27 " and name "HA ")
OR { 5409}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "27 " and name "HA ")
OR { 5409}
(segid " " and resid "85 " and name "HG23")
(segid " " and resid "81 " and name "HA ")
ASSI { 5411}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "87 " and name "HG1 ")
3.500 1.500 1.500 peak 5411 weight 0.10000E+01 volume 0.24400E+00 ppm1 0.845 ppm2 2.496
OR { 5411}
(segid " " and resid "85 " and name "HG23")
(segid " " and resid "61 " and name "HB2 ")
OR { 5411}
(segid " " and resid "85 " and name "HG22")
(segid " " and resid "87 " and name "HG1 ")
OR { 5411}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "61 " and name "HB2 ")
OR { 5411}
(segid " " and resid "85 " and name "HG22")
(segid " " and resid "61 " and name "HB2 ")
ASSI { 5412}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "87 " and name "HG2 ")
3.600 1.600 1.600 peak 5412 weight 0.10000E+01 volume 0.21000E+00 ppm1 0.853 ppm2 2.135
OR { 5412}
(segid " " and resid "85 " and name "HG23")
(segid " " and resid "87 " and name "HG2 ")
OR { 5412}
(segid " " and resid "85 " and name "HG22")
(segid " " and resid "87 " and name "HG2 ")
OR { 5412}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "87 " and name "HB1 ")
OR { 5412}
(segid " " and resid "85 " and name "HG23")
(segid " " and resid "84 " and name "HB ")
OR { 5412}
(segid " " and resid "85 " and name "HG22")
(segid " " and resid "87 " and name "HB1 ")
OR { 5412}
(segid " " and resid "85 " and name "HG23")
(segid " " and resid "87 " and name "HB1 ")
ASSI { 4781}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "27 " and name "HA ")
3.800 1.800 1.800 peak 4781 weight 0.10000E+01 volume 0.35300E+00 ppm1 0.693 ppm2 4.562
OR { 4781}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "27 " and name "HA ")
OR { 4781}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "27 " and name "HA ")
OR { 4781}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "47 " and name "HA ")
ASSI { 4384}
(segid " " and resid "74 " and name "HB2 ")
(segid " " and resid "64 " and name "HB1 ")
2.900 1.100 1.100 peak 4384 weight 0.10000E+01 volume 0.11890E+01 ppm1 1.262 ppm2 3.792
OR { 4384}
(segid " " and resid "14 " and name "HB1 ")
(segid " " and resid "94 " and name "HA1 ")
OR { 4384}
(segid " " and resid "74 " and name "HB2 ")
(segid " " and resid "64 " and name "HB2 ")
OR { 4384}
(segid " " and resid "14 " and name "HB3 ")
(segid " " and resid "94 " and name "HA1 ")
OR { 4384}
(segid " " and resid "74 " and name "HB1 ")
(segid " " and resid "64 " and name "HB1 ")
OR { 4384}
(segid " " and resid "74 " and name "HB3 ")
(segid " " and resid "64 " and name "HB2 ")
ASSI { 4618}
(segid " " and resid "27 " and name "HB3 ")
(segid " " and resid "26 " and name "HG22")
2.900 1.100 1.100 peak 4618 weight 0.10000E+01 volume 0.17650E+01 ppm1 1.393 ppm2 0.831
OR { 4618}
(segid " " and resid "27 " and name "HB1 ")
(segid " " and resid "26 " and name "HG22")
OR { 4618}
(segid " " and resid "27 " and name "HB2 ")
(segid " " and resid "26 " and name "HG22")
OR { 4618}
(segid " " and resid "27 " and name "HB3 ")
(segid " " and resid "26 " and name "HG21")
OR { 4618}
(segid " " and resid "27 " and name "HB1 ")
(segid " " and resid "26 " and name "HG21")
OR { 4618}
(segid " " and resid "27 " and name "HB3 ")
(segid " " and resid "26 " and name "HG23")
OR { 4618}
(segid " " and resid "27 " and name "HB1 ")
(segid " " and resid "41 " and name "HG12")
OR { 4618}
(segid " " and resid "27 " and name "HB2 ")
(segid " " and resid "41 " and name "HG12")
OR { 4618}
(segid " " and resid "27 " and name "HB1 ")
(segid " " and resid "26 " and name "HG23")
OR { 4618}
(segid " " and resid "27 " and name "HB2 ")
(segid " " and resid "26 " and name "HG21")
OR { 4618}
(segid " " and resid "27 " and name "HB2 ")
(segid " " and resid "26 " and name "HG23")
OR { 4618}
(segid " " and resid "27 " and name "HB3 ")
(segid " " and resid "41 " and name "HG12")
ASSI { 4620}
(segid " " and resid "27 " and name "HB1 ")
(segid " " and resid "85 " and name "HG12")
2.800 1.000 1.000 peak 4620 weight 0.10000E+01 volume 0.29360E+01 ppm1 1.395 ppm2 0.495
OR { 4620}
(segid " " and resid "27 " and name "HB1 ")
(segid " " and resid "47 " and name "HG22")
OR { 4620}
(segid " " and resid "27 " and name "HB2 ")
(segid " " and resid "47 " and name "HG23")
OR { 4620}
(segid " " and resid "27 " and name "HB3 ")
(segid " " and resid "47 " and name "HG23")
OR { 4620}
(segid " " and resid "27 " and name "HB1 ")
(segid " " and resid "85 " and name "HG13")
OR { 4620}
(segid " " and resid "27 " and name "HB3 ")
(segid " " and resid "85 " and name "HG12")
OR { 4620}
(segid " " and resid "27 " and name "HB1 ")
(segid " " and resid "85 " and name "HG11")
OR { 4620}
(segid " " and resid "27 " and name "HB3 ")
(segid " " and resid "47 " and name "HG22")
ASSI { 4613}
(segid " " and resid "27 " and name "HB1 ")
(segid " " and resid "26 " and name "HA ")
4.100 2.100 1.900 peak 4613 weight 0.10000E+01 volume 0.22300E+00 ppm1 1.392 ppm2 4.825
OR { 4613}
(segid " " and resid "27 " and name "HB3 ")
(segid " " and resid "26 " and name "HA ")
OR { 4613}
(segid " " and resid "27 " and name "HB2 ")
(segid " " and resid "30 " and name "HA ")
OR { 4613}
(segid " " and resid "27 " and name "HB2 ")
(segid " " and resid "26 " and name "HA ")
ASSI { 4386}
(segid " " and resid "14 " and name "HB1 ")
(segid " " and resid "94 " and name "HA2 ")
4.600 2.600 1.400 peak 4386 weight 0.10000E+01 volume 0.69000E-01 ppm1 1.250 ppm2 3.041
OR { 4386}
(segid " " and resid "14 " and name "HB2 ")
(segid " " and resid "94 " and name "HA2 ")
OR { 4386}
(segid " " and resid "14 " and name "HB3 ")
(segid " " and resid "94 " and name "HA2 ")
OR { 4386}
(segid " " and resid "14 " and name "HB3 ")
(segid " " and resid "15 " and name "HB1 ")
ASSI { 4602}
(segid " " and resid "26 " and name "HG22")
(segid " " and resid "28 " and name "HA ")
3.900 1.900 1.900 peak 4602 weight 0.10000E+01 volume 0.29200E+00 ppm1 0.837 ppm2 4.271
OR { 4602}
(segid " " and resid "26 " and name "HG23")
(segid " " and resid "28 " and name "HA ")
OR { 4602}
(segid " " and resid "26 " and name "HG21")
(segid " " and resid "45 " and name "HA ")
OR { 4602}
(segid " " and resid "26 " and name "HG21")
(segid " " and resid "28 " and name "HA ")
ASSI { 4601}
(segid " " and resid "26 " and name "HG21")
(segid " " and resid "46 " and name "HA ")
3.400 1.400 1.400 peak 4601 weight 0.10000E+01 volume 0.68600E+00 ppm1 0.836 ppm2 4.407
OR { 4601}
(segid " " and resid "26 " and name "HG22")
(segid " " and resid "44 " and name "HA1 ")
OR { 4601}
(segid " " and resid "26 " and name "HG22")
(segid " " and resid "46 " and name "HA ")
OR { 4601}
(segid " " and resid "26 " and name "HG21")
(segid " " and resid "44 " and name "HA1 ")
OR { 4601}
(segid " " and resid "26 " and name "HG23")
(segid " " and resid "46 " and name "HA ")
ASSI { 4690}
(segid " " and resid "33 " and name "HB3 ")
(segid " " and resid "35 " and name "HN ")
3.500 1.500 1.500 peak 4690 weight 0.10000E+01 volume 0.67800E+00 ppm1 1.319 ppm2 7.364
OR { 4690}
(segid " " and resid "33 " and name "HB2 ")
(segid " " and resid "31 " and name "HD1 ")
OR { 4690}
(segid " " and resid "33 " and name "HB2 ")
(segid " " and resid "35 " and name "HN ")
OR { 4690}
(segid " " and resid "33 " and name "HB3 ")
(segid " " and resid "38 " and name "HD1 ")
OR { 4690}
(segid " " and resid "33 " and name "HB1 ")
(segid " " and resid "31 " and name "HD1 ")
OR { 4690}
(segid " " and resid "33 " and name "HB1 ")
(segid " " and resid "35 " and name "HN ")
OR { 4690}
(segid " " and resid "33 " and name "HB2 ")
(segid " " and resid "38 " and name "HD1 ")
ASSI { 4873}
(segid " " and resid "47 " and name "HG22")
(segid " " and resid "41 " and name "HG11")
2.700 0.900 0.900 peak 4873 weight 0.10000E+01 volume 0.24360E+01 ppm1 0.492 ppm2 1.399
OR { 4873}
(segid " " and resid "47 " and name "HG23")
(segid " " and resid "41 " and name "HG11")
OR { 4873}
(segid " " and resid "47 " and name "HG21")
(segid " " and resid "27 " and name "HB1 ")
OR { 4873}
(segid " " and resid "47 " and name "HG23")
(segid " " and resid "27 " and name "HB1 ")
OR { 4873}
(segid " " and resid "85 " and name "HG12")
(segid " " and resid "27 " and name "HB1 ")
OR { 4873}
(segid " " and resid "47 " and name "HG21")
(segid " " and resid "41 " and name "HG11")
OR { 4873}
(segid " " and resid "47 " and name "HG22")
(segid " " and resid "27 " and name "HB1 ")
OR { 4873}
(segid " " and resid "47 " and name "HG21")
(segid " " and resid "27 " and name "HB3 ")
OR { 4873}
(segid " " and resid "47 " and name "HG23")
(segid " " and resid "27 " and name "HB3 ")
OR { 4873}
(segid " " and resid "47 " and name "HG11")
(segid " " and resid "41 " and name "HG11")
OR { 4873}
(segid " " and resid "47 " and name "HG22")
(segid " " and resid "27 " and name "HB3 ")
ASSI { 4870}
(segid " " and resid "85 " and name "HG13")
(segid " " and resid "80 " and name "HE1 ")
2.700 0.900 0.900 peak 4870 weight 0.10000E+01 volume 0.32510E+01 ppm1 0.486 ppm2 6.955
OR { 4870}
(segid " " and resid "47 " and name "HG12")
(segid " " and resid "80 " and name "HE2 ")
OR { 4870}
(segid " " and resid "85 " and name "HG11")
(segid " " and resid "80 " and name "HD1 ")
OR { 4870}
(segid " " and resid "47 " and name "HG11")
(segid " " and resid "80 " and name "HE2 ")
OR { 4870}
(segid " " and resid "85 " and name "HG13")
(segid " " and resid "80 " and name "HD1 ")
OR { 4870}
(segid " " and resid "85 " and name "HG11")
(segid " " and resid "80 " and name "HE1 ")
OR { 4870}
(segid " " and resid "47 " and name "HG13")
(segid " " and resid "80 " and name "HE2 ")
ASSI { 5573}
(segid " " and resid "98 " and name "HG22")
(segid " " and resid "16 " and name "HB2 ")
3.800 1.800 1.800 peak 5573 weight 0.10000E+01 volume 0.13900E+00 ppm1 0.906 ppm2 2.148
OR { 5573}
(segid " " and resid "98 " and name "HG22")
(segid " " and resid "16 " and name "HB1 ")
OR { 5573}
(segid " " and resid "98 " and name "HG21")
(segid " " and resid "16 " and name "HB2 ")
OR { 5573}
(segid " " and resid "98 " and name "HG23")
(segid " " and resid "16 " and name "HB2 ")
OR { 5573}
(segid " " and resid "98 " and name "HG21")
(segid " " and resid "16 " and name "HB1 ")
OR { 5573}
(segid " " and resid "98 " and name "HG23")
(segid " " and resid "16 " and name "HB1 ")
OR { 5573}
(segid " " and resid "98 " and name "HG23")
(segid " " and resid "11 " and name "HD2 ")
OR { 5573}
(segid " " and resid "98 " and name "HG22")
(segid " " and resid "11 " and name "HD2 ")
ASSI { 5570}
(segid " " and resid "98 " and name "HG23")
(segid " " and resid "11 " and name "HE1 ")
3.100 1.200 1.200 peak 5570 weight 0.10000E+01 volume 0.51100E+00 ppm1 0.905 ppm2 2.866
OR { 5570}
(segid " " and resid "98 " and name "HG21")
(segid " " and resid "97 " and name "HB1 ")
OR { 5570}
(segid " " and resid "98 " and name "HG22")
(segid " " and resid "11 " and name "HE1 ")
OR { 5570}
(segid " " and resid "98 " and name "HG23")
(segid " " and resid "11 " and name "HE2 ")
OR { 5570}
(segid " " and resid "98 " and name "HG21")
(segid " " and resid "11 " and name "HE1 ")
OR { 5570}
(segid " " and resid "98 " and name "HG22")
(segid " " and resid "11 " and name "HE2 ")
OR { 5570}
(segid " " and resid "98 " and name "HG23")
(segid " " and resid "97 " and name "HB1 ")
ASSI { 5571}
(segid " " and resid "26 " and name "HG13")
(segid " " and resid "88 " and name "HB1 ")
3.100 1.200 1.200 peak 5571 weight 0.10000E+01 volume 0.45600E+00 ppm1 0.906 ppm2 2.664
OR { 5571}
(segid " " and resid "98 " and name "HG23")
(segid " " and resid "11 " and name "HE1 ")
OR { 5571}
(segid " " and resid "26 " and name "HG12")
(segid " " and resid "88 " and name "HB1 ")
OR { 5571}
(segid " " and resid "26 " and name "HG13")
(segid " " and resid "88 " and name "HB2 ")
OR { 5571}
(segid " " and resid "98 " and name "HG23")
(segid " " and resid "11 " and name "HE2 ")
OR { 5571}
(segid " " and resid "26 " and name "HG12")
(segid " " and resid "88 " and name "HB2 ")
OR { 5571}
(segid " " and resid "26 " and name "HG11")
(segid " " and resid "88 " and name "HB1 ")
OR { 5571}
(segid " " and resid "26 " and name "HG11")
(segid " " and resid "88 " and name "HB2 ")
ASSI { 4855}
(segid " " and resid "46 " and name "HG12")
(segid " " and resid "26 " and name "HA ")
3.600 1.600 1.600 peak 4855 weight 0.10000E+01 volume 0.47100E+00 ppm1 0.693 ppm2 4.856
OR { 4855}
(segid " " and resid "46 " and name "HG11")
(segid " " and resid "26 " and name "HA ")
OR { 4855}
(segid " " and resid "46 " and name "HG11")
(segid " " and resid "24 " and name "HA ")
OR { 4855}
(segid " " and resid "46 " and name "HG11")
(segid " " and resid "48 " and name "HA ")
OR { 4855}
(segid " " and resid "46 " and name "HG13")
(segid " " and resid "26 " and name "HA ")
ASSI { 4858}
(segid " " and resid "96 " and name "HG23")
(segid " " and resid "96 " and name "HB ")
1.900 0.500 0.500 peak 4858 weight 0.10000E+01 volume 0.92410E+01 ppm1 0.700 ppm2 1.622
OR { 4858}
(segid " " and resid "96 " and name "HG13")
(segid " " and resid "96 " and name "HB ")
OR { 4858}
(segid " " and resid "28 " and name "HD12")
(segid " " and resid "28 " and name "HG ")
OR { 4858}
(segid " " and resid "96 " and name "HG21")
(segid " " and resid "96 " and name "HB ")
OR { 4858}
(segid " " and resid "28 " and name "HD13")
(segid " " and resid "28 " and name "HG ")
OR { 4858}
(segid " " and resid "96 " and name "HG22")
(segid " " and resid "96 " and name "HB ")
OR { 4858}
(segid " " and resid "96 " and name "HG12")
(segid " " and resid "96 " and name "HB ")
ASSI { 5180}
(segid " " and resid "100 " and name "HG21")
(segid " " and resid "104 " and name "HB2 ")
3.800 1.800 1.800 peak 5180 weight 0.10000E+01 volume 0.14300E+00 ppm1 0.952 ppm2 2.461
OR { 5180}
(segid " " and resid "46 " and name "HG21")
(segid " " and resid "66 " and name "HG1 ")
OR { 5180}
(segid " " and resid "100 " and name "HG23")
(segid " " and resid "104 " and name "HB2 ")
OR { 5180}
(segid " " and resid "100 " and name "HG22")
(segid " " and resid "104 " and name "HB2 ")
OR { 5180}
(segid " " and resid "46 " and name "HG22")
(segid " " and resid "66 " and name "HG1 ")
OR { 5180}
(segid " " and resid "46 " and name "HG21")
(segid " " and resid "66 " and name "HG2 ")
OR { 5180}
(segid " " and resid "46 " and name "HG22")
(segid " " and resid "66 " and name "HG2 ")
OR { 5180}
(segid " " and resid "46 " and name "HG23")
(segid " " and resid "66 " and name "HG2 ")
ASSI { 5178}
(segid " " and resid "53 " and name "HD11")
(segid " " and resid "53 " and name "HB1 ")
3.200 1.300 1.300 peak 5178 weight 0.10000E+01 volume 0.37700E+00 ppm1 0.952 ppm2 2.868
OR { 5178}
(segid " " and resid "100 " and name "HG23")
(segid " " and resid "11 " and name "HE1 ")
OR { 5178}
(segid " " and resid "100 " and name "HG22")
(segid " " and resid "11 " and name "HE2 ")
OR { 5178}
(segid " " and resid "53 " and name "HD13")
(segid " " and resid "53 " and name "HB1 ")
OR { 5178}
(segid " " and resid "53 " and name "HD12")
(segid " " and resid "53 " and name "HB1 ")
ASSI { 5177}
(segid " " and resid "100 " and name "HG22")
(segid " " and resid "10 " and name "HA ")
3.300 1.400 1.400 peak 5177 weight 0.10000E+01 volume 0.78900E+00 ppm1 0.950 ppm2 5.213
OR { 5177}
(segid " " and resid "100 " and name "HG23")
(segid " " and resid "10 " and name "HA ")
OR { 5177}
(segid " " and resid "26 " and name "HG13")
(segid " " and resid "25 " and name "HA ")
OR { 5177}
(segid " " and resid "100 " and name "HG21")
(segid " " and resid "10 " and name "HA ")
ASSI { 5176}
(segid " " and resid "100 " and name "HG21")
(segid " " and resid "105 " and name "HZ ")
3.600 1.600 1.600 peak 5176 weight 0.10000E+01 volume 0.65400E+00 ppm1 0.952 ppm2 6.765
OR { 5176}
(segid " " and resid "53 " and name "HD12")
(segid " " and resid "79 " and name "HE2 ")
OR { 5176}
(segid " " and resid "100 " and name "HG22")
(segid " " and resid "105 " and name "HZ ")
OR { 5176}
(segid " " and resid "100 " and name "HG23")
(segid " " and resid "105 " and name "HZ ")
ASSI { 3847}
(segid " " and resid "100 " and name "HG21")
(segid " " and resid "105 " and name "HE2 ")
3.200 1.300 1.300 peak 3847 weight 0.10000E+01 volume 0.11350E+01 ppm1 0.953 ppm2 6.910
OR { 3847}
(segid " " and resid "100 " and name "HG22")
(segid " " and resid "105 " and name "HE2 ")
OR { 3847}
(segid " " and resid "53 " and name "HD12")
(segid " " and resid "105 " and name "HE2 ")
OR { 3847}
(segid " " and resid "100 " and name "HG23")
(segid " " and resid "105 " and name "HE2 ")
OR { 3847}
(segid " " and resid "53 " and name "HD11")
(segid " " and resid "105 " and name "HE2 ")
OR { 3847}
(segid " " and resid "53 " and name "HD13")
(segid " " and resid "105 " and name "HE2 ")
OR { 3847}
(segid " " and resid "53 " and name "HD13")
(segid " " and resid "79 " and name "HD2 ")
OR { 3847}
(segid " " and resid "53 " and name "HD12")
(segid " " and resid "79 " and name "HD2 ")
OR { 3847}
(segid " " and resid "100 " and name "HG21")
(segid " " and resid "105 " and name "HE1 ")
ASSI { 5169}
(segid " " and resid "100 " and name "HG21")
(segid " " and resid "105 " and name "HD2 ")
4.500 2.500 1.500 peak 5169 weight 0.10000E+01 volume 0.14600E+00 ppm1 0.951 ppm2 7.078
OR { 5169}
(segid " " and resid "100 " and name "HG22")
(segid " " and resid "105 " and name "HD2 ")
OR { 5169}
(segid " " and resid "100 " and name "HG23")
(segid " " and resid "105 " and name "HD2 ")
OR { 5169}
(segid " " and resid "53 " and name "HD12")
(segid " " and resid "105 " and name "HD2 ")
OR { 5169}
(segid " " and resid "100 " and name "HG21")
(segid " " and resid "105 " and name "HD1 ")
OR { 5169}
(segid " " and resid "53 " and name "HD11")
(segid " " and resid "105 " and name "HD2 ")
OR { 5169}
(segid " " and resid "53 " and name "HD13")
(segid " " and resid "105 " and name "HD2 ")
OR { 5169}
(segid " " and resid "53 " and name "HD12")
(segid " " and resid "60 " and name "HD1 ")
OR { 5169}
(segid " " and resid "100 " and name "HG22")
(segid " " and resid "105 " and name "HD1 ")
OR { 5169}
(segid " " and resid "100 " and name "HG23")
(segid " " and resid "105 " and name "HD1 ")
ASSI { 4852}
(segid " " and resid "53 " and name "HD13")
(segid " " and resid "53 " and name "HG ")
2.000 0.500 0.500 peak 4852 weight 0.10000E+01 volume 0.61780E+01 ppm1 0.983 ppm2 1.896
OR { 4852}
(segid " " and resid "98 " and name "HG12")
(segid " " and resid "98 " and name "HB ")
OR { 4852}
(segid " " and resid "46 " and name "HG22")
(segid " " and resid "46 " and name "HB ")
OR { 4852}
(segid " " and resid "98 " and name "HG11")
(segid " " and resid "98 " and name "HB ")
OR { 4852}
(segid " " and resid "53 " and name "HD11")
(segid " " and resid "53 " and name "HG ")
OR { 4852}
(segid " " and resid "46 " and name "HG23")
(segid " " and resid "46 " and name "HB ")
ASSI { 4895}
(segid " " and resid "98 " and name "HG11")
(segid " " and resid "98 " and name "HA ")
2.700 0.900 0.900 peak 4895 weight 0.10000E+01 volume 0.25280E+01 ppm1 1.113 ppm2 4.379
OR { 4895}
(segid " " and resid "49 " and name "HG22")
(segid " " and resid "49 " and name "HA ")
OR { 4895}
(segid " " and resid "98 " and name "HG13")
(segid " " and resid "98 " and name "HA ")
OR { 4895}
(segid " " and resid "49 " and name "HG21")
(segid " " and resid "49 " and name "HA ")
ASSI { 4894}
(segid " " and resid "49 " and name "HG22")
(segid " " and resid "48 " and name "HA ")
3.600 1.600 1.600 peak 4894 weight 0.10000E+01 volume 0.47100E+00 ppm1 1.115 ppm2 4.904
OR { 4894}
(segid " " and resid "49 " and name "HG21")
(segid " " and resid "24 " and name "HA ")
OR { 4894}
(segid " " and resid "49 " and name "HG21")
(segid " " and resid "48 " and name "HA ")
OR { 4894}
(segid " " and resid "49 " and name "HG23")
(segid " " and resid "48 " and name "HA ")
ASSI { 4633}
(segid " " and resid "96 " and name "HG23")
(segid " " and resid "14 " and name "HA ")
3.700 1.700 1.700 peak 4633 weight 0.10000E+01 volume 0.40900E+00 ppm1 0.790 ppm2 4.554
OR { 4633}
(segid " " and resid "26 " and name "HG11")
(segid " " and resid "46 " and name "HA ")
OR { 4633}
(segid " " and resid "96 " and name "HG21")
(segid " " and resid "14 " and name "HA ")
OR { 4633}
(segid " " and resid "49 " and name "HG13")
(segid " " and resid "50 " and name "HA ")
OR { 4633}
(segid " " and resid "26 " and name "HG13")
(segid " " and resid "46 " and name "HA ")
OR { 4633}
(segid " " and resid "96 " and name "HG22")
(segid " " and resid "14 " and name "HA ")
OR { 4633}
(segid " " and resid "26 " and name "HG12")
(segid " " and resid "46 " and name "HA ")
OR { 4633}
(segid " " and resid "49 " and name "HG11")
(segid " " and resid "50 " and name "HA ")
ASSI { 4851}
(segid " " and resid "53 " and name "HD11")
(segid " " and resid "11 " and name "HA ")
3.200 1.300 1.300 peak 4851 weight 0.10000E+01 volume 0.93600E+00 ppm1 0.988 ppm2 4.833
OR { 4851}
(segid " " and resid "53 " and name "HD13")
(segid " " and resid "11 " and name "HA ")
OR { 4851}
(segid " " and resid "46 " and name "HG23")
(segid " " and resid "26 " and name "HA ")
OR { 4851}
(segid " " and resid "53 " and name "HD12")
(segid " " and resid "11 " and name "HA ")
ASSI { 5560}
(segid " " and resid "98 " and name "HG13")
(segid " " and resid "16 " and name "HA ")
3.200 1.300 1.300 peak 5560 weight 0.10000E+01 volume 0.46700E+00 ppm1 1.060 ppm2 3.914
OR { 5560}
(segid " " and resid "49 " and name "HG21")
(segid " " and resid "23 " and name "HB2 ")
OR { 5560}
(segid " " and resid "98 " and name "HG12")
(segid " " and resid "16 " and name "HA ")
OR { 5560}
(segid " " and resid "49 " and name "HG23")
(segid " " and resid "23 " and name "HB2 ")
OR { 5560}
(segid " " and resid "49 " and name "HG21")
(segid " " and resid "23 " and name "HB1 ")
OR { 5560}
(segid " " and resid "98 " and name "HG11")
(segid " " and resid "16 " and name "HA ")
ASSI { 4631}
(segid " " and resid "26 " and name "HG13")
(segid " " and resid "25 " and name "HA ")
4.100 2.100 1.900 peak 4631 weight 0.10000E+01 volume 0.20300E+00 ppm1 0.787 ppm2 5.343
OR { 4631}
(segid " " and resid "26 " and name "HG11")
(segid " " and resid "25 " and name "HA ")
OR { 4631}
(segid " " and resid "49 " and name "HG12")
(segid " " and resid "61 " and name "HA ")
OR { 4631}
(segid " " and resid "26 " and name "HG12")
(segid " " and resid "25 " and name "HA ")
OR { 4631}
(segid " " and resid "49 " and name "HG13")
(segid " " and resid "61 " and name "HA ")
ASSI { 4900}
(segid " " and resid "49 " and name "HG12")
(segid " " and resid "49 " and name "HA ")
2.900 1.100 1.100 peak 4900 weight 0.10000E+01 volume 0.18310E+01 ppm1 0.691 ppm2 4.376
OR { 4900}
(segid " " and resid "91 " and name "HD12")
(segid " " and resid "91 " and name "HA ")
OR { 4900}
(segid " " and resid "91 " and name "HD13")
(segid " " and resid "91 " and name "HA ")
OR { 4900}
(segid " " and resid "49 " and name "HG13")
(segid " " and resid "49 " and name "HA ")
OR { 4900}
(segid " " and resid "49 " and name "HG11")
(segid " " and resid "49 " and name "HA ")
ASSI { 4897}
(segid " " and resid "49 " and name "HG11")
(segid " " and resid "61 " and name "HE3 ")
3.500 1.500 1.500 peak 4897 weight 0.10000E+01 volume 0.57300E+00 ppm1 0.682 ppm2 7.406
OR { 4897}
(segid " " and resid "96 " and name "HG21")
(segid " " and resid "95 " and name "HN ")
OR { 4897}
(segid " " and resid "49 " and name "HG12")
(segid " " and resid "61 " and name "HE3 ")
OR { 4897}
(segid " " and resid "49 " and name "HG13")
(segid " " and resid "61 " and name "HE3 ")
OR { 4897}
(segid " " and resid "96 " and name "HG22")
(segid " " and resid "95 " and name "HN ")
ASSI { 4276}
(segid " " and resid "7 " and name "HD12")
(segid " " and resid "38 " and name "HZ ")
3.300 1.400 1.400 peak 4276 weight 0.10000E+01 volume 0.95300E+00 ppm1 0.528 ppm2 6.582
OR { 4276}
(segid " " and resid "7 " and name "HD13")
(segid " " and resid "8 " and name "HN ")
OR { 4276}
(segid " " and resid "7 " and name "HD11")
(segid " " and resid "38 " and name "HZ ")
OR { 4276}
(segid " " and resid "7 " and name "HD13")
(segid " " and resid "38 " and name "HZ ")
ASSI { 4275}
(segid " " and resid "7 " and name "HD12")
(segid " " and resid "38 " and name "HE1 ")
3.300 1.400 1.400 peak 4275 weight 0.10000E+01 volume 0.79700E+00 ppm1 0.529 ppm2 6.854
OR { 4275}
(segid " " and resid "7 " and name "HD11")
(segid " " and resid "38 " and name "HE1 ")
OR { 4275}
(segid " " and resid "7 " and name "HD13")
(segid " " and resid "38 " and name "HE1 ")
OR { 4275}
(segid " " and resid "7 " and name "HD12")
(segid " " and resid "79 " and name "HD1 ")
OR { 4275}
(segid " " and resid "7 " and name "HD12")
(segid " " and resid "38 " and name "HE2 ")
OR { 4275}
(segid " " and resid "7 " and name "HD11")
(segid " " and resid "79 " and name "HD1 ")
OR { 4275}
(segid " " and resid "7 " and name "HD11")
(segid " " and resid "38 " and name "HE2 ")
OR { 4275}
(segid " " and resid "7 " and name "HD13")
(segid " " and resid "38 " and name "HE2 ")
ASSI { 7557}
(segid " " and resid "53 " and name "HD12")
(segid " " and resid "105 " and name "HE2 ")
3.200 1.300 1.300 peak 7557 weight 0.10000E+01 volume 0.12090E+01 ppm1 0.899 ppm2 6.928
OR { 7557}
(segid " " and resid "53 " and name "HD11")
(segid " " and resid "105 " and name "HE2 ")
OR { 7557}
(segid " " and resid "53 " and name "HD13")
(segid " " and resid "105 " and name "HE2 ")
OR { 7557}
(segid " " and resid "53 " and name "HD13")
(segid " " and resid "79 " and name "HD2 ")
OR { 7557}
(segid " " and resid "53 " and name "HD12")
(segid " " and resid "79 " and name "HD2 ")
OR { 7557}
(segid " " and resid "53 " and name "HD11")
(segid " " and resid "79 " and name "HD2 ")
ASSI { 5459}
(segid " " and resid "91 " and name "HD12")
(segid " " and resid "23 " and name "HA ")
3.600 1.600 1.600 peak 5459 weight 0.10000E+01 volume 0.40800E+00 ppm1 0.785 ppm2 4.924
OR { 5459}
(segid " " and resid "91 " and name "HD11")
(segid " " and resid "24 " and name "HA ")
OR { 5459}
(segid " " and resid "91 " and name "HD11")
(segid " " and resid "23 " and name "HA ")
OR { 5459}
(segid " " and resid "91 " and name "HD13")
(segid " " and resid "23 " and name "HA ")
OR { 5459}
(segid " " and resid "91 " and name "HD12")
(segid " " and resid "24 " and name "HA ")
ASSI { 5058}
(segid " " and resid "59 " and name "HD22")
(segid " " and resid "59 " and name "HA ")
2.200 2.200 2.800 peak 5058 weight 0.10000E+01 volume 0.38410E+01 ppm1 0.661 ppm2 3.976
OR { 5058}
(segid " " and resid "59 " and name "HD21")
(segid " " and resid "59 " and name "HA ")
OR { 5058}
(segid " " and resid "102 " and name "HG1 ")
(segid " " and resid "102 " and name "HA ")
ASSI { 5524}
(segid " " and resid "102 " and name "HG1 ")
(segid " " and resid "102 " and name "HE2 ")
2.300 0.700 0.700 peak 5524 weight 0.10000E+01 volume 0.96600E+00 ppm1 0.693 ppm2 2.335
OR { 5524}
(segid " " and resid "102 " and name "HG1 ")
(segid " " and resid "102 " and name "HE1 ")
OR { 5524}
(segid " " and resid "12 " and name "HD23")
(segid " " and resid "97 " and name "HB2 ")
OR { 5524}
(segid " " and resid "12 " and name "HD22")
(segid " " and resid "97 " and name "HB2 ")
ASSI { 4575}
(segid " " and resid "25 " and name "HB1 ")
(segid " " and resid "80 " and name "HZ ")
5.300 3.500 0.700 peak 4575 weight 0.10000E+01 volume 0.56000E-01 ppm1 1.193 ppm2 7.153
OR { 4575}
(segid " " and resid "25 " and name "HB2 ")
(segid " " and resid "61 " and name "HH2 ")
OR { 4575}
(segid " " and resid "25 " and name "HB1 ")
(segid " " and resid "61 " and name "HH2 ")
OR { 4575}
(segid " " and resid "25 " and name "HB3 ")
(segid " " and resid "80 " and name "HZ ")
ASSI { 4753}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "41 " and name "HD12")
3.200 1.300 1.300 peak 4753 weight 0.10000E+01 volume 0.11430E+01 ppm1 0.898 ppm2 0.308
OR { 4753}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "77 " and name "HD21")
OR { 4753}
(segid " " and resid "39 " and name "HD21")
(segid " " and resid "41 " and name "HD12")
OR { 4753}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "41 " and name "HD13")
OR { 4753}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "41 " and name "HD12")
OR { 4753}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "41 " and name "HD11")
OR { 4753}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "77 " and name "HD21")
OR { 4753}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "77 " and name "HD22")
OR { 4753}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "77 " and name "HD23")
ASSI { 4584}
(segid " " and resid "11 " and name "HG2 ")
(segid " " and resid "11 " and name "HD1 ")
2.000 0.500 0.500 peak 4584 weight 0.10000E+01 volume 0.27690E+01 ppm1 1.190 ppm2 1.818
OR { 4584}
(segid " " and resid "11 " and name "HG2 ")
(segid " " and resid "11 " and name "HD2 ")
OR { 4584}
(segid " " and resid "25 " and name "HB2 ")
(segid " " and resid "85 " and name "HB ")
ASSI { 4579}
(segid " " and resid "11 " and name "HG2 ")
(segid " " and resid "11 " and name "HA ")
3.400 1.400 1.400 peak 4579 weight 0.10000E+01 volume 0.28600E+00 ppm1 1.192 ppm2 4.902
OR { 4579}
(segid " " and resid "25 " and name "HB1 ")
(segid " " and resid "24 " and name "HA ")
OR { 4579}
(segid " " and resid "25 " and name "HB3 ")
(segid " " and resid "26 " and name "HA ")
OR { 4579}
(segid " " and resid "25 " and name "HB3 ")
(segid " " and resid "24 " and name "HA ")
ASSI { 4580}
(segid " " and resid "11 " and name "HG2 ")
(segid " " and resid "99 " and name "HA ")
3.800 1.800 1.800 peak 4580 weight 0.10000E+01 volume 0.17100E+00 ppm1 1.190 ppm2 4.557
OR { 4580}
(segid " " and resid "11 " and name "HG2 ")
(segid " " and resid "100 " and name "HA ")
OR { 4580}
(segid " " and resid "25 " and name "HB3 ")
(segid " " and resid "27 " and name "HA ")
OR { 4580}
(segid " " and resid "25 " and name "HB2 ")
(segid " " and resid "27 " and name "HA ")
ASSI { 4752}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "47 " and name "HG13")
3.200 1.300 1.300 peak 4752 weight 0.10000E+01 volume 0.12640E+01 ppm1 0.895 ppm2 0.479
OR { 4752}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "47 " and name "HG22")
OR { 4752}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "47 " and name "HG12")
OR { 4752}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "47 " and name "HG13")
OR { 4752}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "47 " and name "HG11")
OR { 4752}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "47 " and name "HG11")
OR { 4752}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "47 " and name "HG12")
OR { 4752}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "47 " and name "HG23")
OR { 4752}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "47 " and name "HG22")
OR { 4752}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "47 " and name "HG21")
OR { 4752}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "77 " and name "HD13")
ASSI { 4360}
(segid " " and resid "12 " and name "HD23")
(segid " " and resid "12 " and name "HG ")
1.900 0.500 0.500 peak 4360 weight 0.10000E+01 volume 0.54310E+01 ppm1 0.723 ppm2 1.339
OR { 4360}
(segid " " and resid "12 " and name "HD22")
(segid " " and resid "12 " and name "HG ")
OR { 4360}
(segid " " and resid "102 " and name "HG1 ")
(segid " " and resid "102 " and name "HD1 ")
OR { 4360}
(segid " " and resid "102 " and name "HG1 ")
(segid " " and resid "102 " and name "HD2 ")
OR { 4360}
(segid " " and resid "12 " and name "HD21")
(segid " " and resid "12 " and name "HG ")
ASSI { 5241}
(segid " " and resid "77 " and name "HD21")
(segid " " and resid "64 " and name "HA ")
4.100 2.100 1.900 peak 5241 weight 0.10000E+01 volume 0.13800E+00 ppm1 0.316 ppm2 5.226
OR { 5241}
(segid " " and resid "52 " and name "HG1 ")
(segid " " and resid "61 " and name "HA ")
OR { 5241}
(segid " " and resid "77 " and name "HD22")
(segid " " and resid "64 " and name "HA ")
OR { 5241}
(segid " " and resid "77 " and name "HD23")
(segid " " and resid "64 " and name "HA ")
ASSI { 5243}
(segid " " and resid "77 " and name "HD21")
(segid " " and resid "76 " and name "HA ")
4.200 2.200 1.800 peak 5243 weight 0.10000E+01 volume 0.11700E+00 ppm1 0.314 ppm2 4.334
OR { 5243}
(segid " " and resid "52 " and name "HG1 ")
(segid " " and resid "49 " and name "HA ")
OR { 5243}
(segid " " and resid "77 " and name "HD23")
(segid " " and resid "76 " and name "HA ")
OR { 5243}
(segid " " and resid "77 " and name "HD22")
(segid " " and resid "76 " and name "HA ")
OR { 5243}
(segid " " and resid "77 " and name "HD22")
(segid " " and resid "49 " and name "HA ")
OR { 5243}
(segid " " and resid "52 " and name "HG1 ")
(segid " " and resid "53 " and name "HA ")
ASSI { 7199}
(segid " " and resid "52 " and name "HG1 ")
(segid " " and resid "61 " and name "HZ3 ")
5.100 3.300 0.900 peak 7199 weight 0.10000E+01 volume 0.56000E-01 ppm1 0.318 ppm2 6.659
OR { 7199}
(segid " " and resid "77 " and name "HD22")
(segid " " and resid "79 " and name "HE2 ")
OR { 7199}
(segid " " and resid "77 " and name "HD23")
(segid " " and resid "79 " and name "HE2 ")
ASSI { 5505}
(segid " " and resid "11 " and name "HG2 ")
(segid " " and resid "11 " and name "HE2 ")
2.200 0.600 0.600 peak 5505 weight 0.10000E+01 volume 0.13800E+01 ppm1 1.264 ppm2 2.931
OR { 5505}
(segid " " and resid "6 " and name "HG2 ")
(segid " " and resid "6 " and name "HA ")
OR { 5505}
(segid " " and resid "11 " and name "HG2 ")
(segid " " and resid "11 " and name "HE1 ")
OR { 5505}
(segid " " and resid "11 " and name "HG1 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 5505}
(segid " " and resid "95 " and name "HG1 ")
(segid " " and resid "95 " and name "HE1 ")
ASSI { 5506}
(segid " " and resid "95 " and name "HG1 ")
(segid " " and resid "95 " and name "HB1 ")
2.000 0.500 0.500 peak 5506 weight 0.10000E+01 volume 0.23960E+01 ppm1 1.262 ppm2 1.844
OR { 5506}
(segid " " and resid "11 " and name "HG1 ")
(segid " " and resid "11 " and name "HD2 ")
OR { 5506}
(segid " " and resid "95 " and name "HG2 ")
(segid " " and resid "95 " and name "HB1 ")
OR { 5506}
(segid " " and resid "11 " and name "HG1 ")
(segid " " and resid "11 " and name "HD1 ")
OR { 5506}
(segid " " and resid "11 " and name "HG2 ")
(segid " " and resid "11 " and name "HD2 ")
ASSI { 5055}
(segid " " and resid "12 " and name "HD12")
(segid " " and resid "54 " and name "HN ")
4.200 2.200 1.800 peak 5055 weight 0.10000E+01 volume 0.19200E+00 ppm1 0.734 ppm2 7.372
OR { 5055}
(segid " " and resid "12 " and name "HD13")
(segid " " and resid "54 " and name "HN ")
OR { 5055}
(segid " " and resid "12 " and name "HD11")
(segid " " and resid "54 " and name "HN ")
OR { 5055}
(segid " " and resid "59 " and name "HD13")
(segid " " and resid "58 " and name "HN ")
OR { 5055}
(segid " " and resid "59 " and name "HD12")
(segid " " and resid "58 " and name "HN ")
OR { 5055}
(segid " " and resid "59 " and name "HD13")
(segid " " and resid "60 " and name "HE2 ")
OR { 5055}
(segid " " and resid "59 " and name "HD11")
(segid " " and resid "58 " and name "HN ")
ASSI { 4280}
(segid " " and resid "7 " and name "HD22")
(segid " " and resid "37 " and name "HE ")
4.000 2.000 2.000 peak 4280 weight 0.10000E+01 volume 0.22600E+00 ppm1 -0.066 ppm2 7.370
OR { 4280}
(segid " " and resid "7 " and name "HD22")
(segid " " and resid "60 " and name "HE1 ")
OR { 4280}
(segid " " and resid "7 " and name "HD21")
(segid " " and resid "60 " and name "HE1 ")
OR { 4280}
(segid " " and resid "7 " and name "HD23")
(segid " " and resid "60 " and name "HE1 ")
OR { 4280}
(segid " " and resid "7 " and name "HD22")
(segid " " and resid "60 " and name "HE2 ")
OR { 4280}
(segid " " and resid "7 " and name "HD21")
(segid " " and resid "60 " and name "HZ ")
OR { 4280}
(segid " " and resid "7 " and name "HD23")
(segid " " and resid "60 " and name "HE2 ")
OR { 4280}
(segid " " and resid "7 " and name "HD21")
(segid " " and resid "60 " and name "HE2 ")
OR { 4280}
(segid " " and resid "7 " and name "HD23")
(segid " " and resid "60 " and name "HZ ")
ASSI { 4281}
(segid " " and resid "7 " and name "HD22")
(segid " " and resid "37 " and name "HE ")
3.300 1.400 1.400 peak 4281 weight 0.10000E+01 volume 0.84800E+00 ppm1 -0.065 ppm2 7.060
OR { 4281}
(segid " " and resid "7 " and name "HD23")
(segid " " and resid "60 " and name "HD1 ")
OR { 4281}
(segid " " and resid "7 " and name "HD21")
(segid " " and resid "60 " and name "HD1 ")
OR { 4281}
(segid " " and resid "7 " and name "HD23")
(segid " " and resid "60 " and name "HD2 ")
OR { 4281}
(segid " " and resid "7 " and name "HD21")
(segid " " and resid "60 " and name "HD2 ")
ASSI { 4285}
(segid " " and resid "7 " and name "HD22")
(segid " " and resid "79 " and name "HB2 ")
3.300 1.400 1.400 peak 4285 weight 0.10000E+01 volume 0.31900E+00 ppm1 -0.065 ppm2 1.991
OR { 4285}
(segid " " and resid "7 " and name "HD23")
(segid " " and resid "79 " and name "HB2 ")
OR { 4285}
(segid " " and resid "7 " and name "HD23")
(segid " " and resid "37 " and name "HG1 ")
OR { 4285}
(segid " " and resid "7 " and name "HD21")
(segid " " and resid "79 " and name "HB2 ")
ASSI { 4282}
(segid " " and resid "7 " and name "HD23")
(segid " " and resid "8 " and name "HN ")
3.500 1.500 1.500 peak 4282 weight 0.10000E+01 volume 0.56900E+00 ppm1 -0.065 ppm2 6.593
OR { 4282}
(segid " " and resid "7 " and name "HD21")
(segid " " and resid "8 " and name "HN ")
OR { 4282}
(segid " " and resid "7 " and name "HD22")
(segid " " and resid "79 " and name "HE1 ")
OR { 4282}
(segid " " and resid "7 " and name "HD22")
(segid " " and resid "8 " and name "HN ")
OR { 4282}
(segid " " and resid "7 " and name "HD23")
(segid " " and resid "38 " and name "HZ ")
ASSI { 4352}
(segid " " and resid "28 " and name "HD23")
(segid " " and resid "27 " and name "HA ")
3.500 1.500 1.500 peak 4352 weight 0.10000E+01 volume 0.51600E+00 ppm1 0.797 ppm2 4.532
OR { 4352}
(segid " " and resid "12 " and name "HD13")
(segid " " and resid "95 " and name "HA ")
OR { 4352}
(segid " " and resid "12 " and name "HD11")
(segid " " and resid "95 " and name "HA ")
OR { 4352}
(segid " " and resid "28 " and name "HD22")
(segid " " and resid "27 " and name "HA ")
OR { 4352}
(segid " " and resid "12 " and name "HD12")
(segid " " and resid "95 " and name "HA ")
OR { 4352}
(segid " " and resid "28 " and name "HD21")
(segid " " and resid "27 " and name "HA ")
OR { 4352}
(segid " " and resid "73 " and name "HD11")
(segid " " and resid "72 " and name "HA ")
ASSI { 4351}
(segid " " and resid "12 " and name "HD13")
(segid " " and resid "97 " and name "HA ")
4.400 2.400 1.600 peak 4351 weight 0.10000E+01 volume 0.13800E+00 ppm1 0.795 ppm2 5.086
OR { 4351}
(segid " " and resid "12 " and name "HD12")
(segid " " and resid "97 " and name "HA ")
OR { 4351}
(segid " " and resid "12 " and name "HD11")
(segid " " and resid "97 " and name "HA ")
OR { 4351}
(segid " " and resid "12 " and name "HD12")
(segid " " and resid "13 " and name "HA ")
OR { 4351}
(segid " " and resid "59 " and name "HD13")
(segid " " and resid "60 " and name "HA ")
ASSI { 4739}
(segid " " and resid "39 " and name "HD13")
(segid " " and resid "39 " and name "HA ")
3.000 1.100 1.100 peak 4739 weight 0.10000E+01 volume 0.15430E+01 ppm1 0.971 ppm2 4.656
OR { 4739}
(segid " " and resid "39 " and name "HD11")
(segid " " and resid "39 " and name "HA ")
OR { 4739}
(segid " " and resid "39 " and name "HD12")
(segid " " and resid "39 " and name "HA ")
OR { 4739}
(segid " " and resid "39 " and name "HD11")
(segid " " and resid "77 " and name "HA ")
ASSI { 5000}
(segid " " and resid "54 " and name "HG1 ")
(segid " " and resid "53 " and name "HA ")
3.100 1.200 1.200 peak 5000 weight 0.10000E+01 volume 0.37800E+00 ppm1 1.356 ppm2 4.348
OR { 5000}
(segid " " and resid "54 " and name "HG2 ")
(segid " " and resid "53 " and name "HA ")
OR { 5000}
(segid " " and resid "92 " and name "HG1 ")
(segid " " and resid "22 " and name "HA ")
OR { 5000}
(segid " " and resid "54 " and name "HG1 ")
(segid " " and resid "58 " and name "HA ")
ASSI { 4642}
(segid " " and resid "28 " and name "HD22")
(segid " " and resid "28 " and name "HA ")
3.100 1.200 1.200 peak 4642 weight 0.10000E+01 volume 0.10460E+01 ppm1 0.768 ppm2 4.372
OR { 4642}
(segid " " and resid "91 " and name "HD23")
(segid " " and resid "91 " and name "HA ")
OR { 4642}
(segid " " and resid "28 " and name "HD21")
(segid " " and resid "28 " and name "HA ")
OR { 4642}
(segid " " and resid "28 " and name "HD23")
(segid " " and resid "28 " and name "HA ")
OR { 4642}
(segid " " and resid "91 " and name "HD21")
(segid " " and resid "91 " and name "HA ")
ASSI { 4640}
(segid " " and resid "91 " and name "HD21")
(segid " " and resid "23 " and name "HA ")
3.300 1.400 1.400 peak 4640 weight 0.10000E+01 volume 0.76700E+00 ppm1 0.761 ppm2 4.926
OR { 4640}
(segid " " and resid "91 " and name "HD21")
(segid " " and resid "24 " and name "HA ")
OR { 4640}
(segid " " and resid "91 " and name "HD22")
(segid " " and resid "24 " and name "HA ")
OR { 4640}
(segid " " and resid "91 " and name "HD23")
(segid " " and resid "23 " and name "HA ")
OR { 4640}
(segid " " and resid "91 " and name "HD23")
(segid " " and resid "24 " and name "HA ")
ASSI { 4290}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "9 " and name "HA ")
2.900 1.100 1.100 peak 4290 weight 0.10000E+01 volume 0.13800E+01 ppm1 1.718 ppm2 4.695
OR { 4290}
(segid " " and resid "8 " and name "HB1 ")
(segid " " and resid "9 " and name "HA ")
OR { 4290}
(segid " " and resid "8 " and name "HB3 ")
(segid " " and resid "54 " and name "HA ")
OR { 4290}
(segid " " and resid "58 " and name "HG1 ")
(segid " " and resid "54 " and name "HA ")
OR { 4290}
(segid " " and resid "8 " and name "HB3 ")
(segid " " and resid "57 " and name "HA1 ")
OR { 4290}
(segid " " and resid "8 " and name "HB3 ")
(segid " " and resid "9 " and name "HA ")
ASSI { 4983}
(segid " " and resid "7 " and name "HG ")
(segid " " and resid "60 " and name "HD1 ")
3.000 1.100 1.100 peak 4983 weight 0.10000E+01 volume 0.80400E+00 ppm1 0.790 ppm2 7.047
OR { 4983}
(segid " " and resid "53 " and name "HD23")
(segid " " and resid "60 " and name "HD1 ")
OR { 4983}
(segid " " and resid "53 " and name "HD22")
(segid " " and resid "60 " and name "HD2 ")
OR { 4983}
(segid " " and resid "53 " and name "HD22")
(segid " " and resid "60 " and name "HD1 ")
OR { 4983}
(segid " " and resid "53 " and name "HD23")
(segid " " and resid "60 " and name "HD2 ")
OR { 4983}
(segid " " and resid "53 " and name "HD21")
(segid " " and resid "60 " and name "HD1 ")
ASSI { 4986}
(segid " " and resid "53 " and name "HD23")
(segid " " and resid "62 " and name "HA1 ")
3.800 1.800 1.800 peak 4986 weight 0.10000E+01 volume 0.27000E+00 ppm1 0.791 ppm2 4.682
OR { 4986}
(segid " " and resid "53 " and name "HD22")
(segid " " and resid "57 " and name "HA1 ")
OR { 4986}
(segid " " and resid "53 " and name "HD21")
(segid " " and resid "62 " and name "HA1 ")
OR { 4986}
(segid " " and resid "53 " and name "HD22")
(segid " " and resid "62 " and name "HA1 ")
OR { 4986}
(segid " " and resid "53 " and name "HD23")
(segid " " and resid "57 " and name "HA1 ")
ASSI { 4988}
(segid " " and resid "7 " and name "HG ")
(segid " " and resid "57 " and name "HA2 ")
3.600 1.600 1.600 peak 4988 weight 0.10000E+01 volume 0.27900E+00 ppm1 0.789 ppm2 3.549
OR { 4988}
(segid " " and resid "53 " and name "HD22")
(segid " " and resid "57 " and name "HA2 ")
OR { 4988}
(segid " " and resid "53 " and name "HD21")
(segid " " and resid "57 " and name "HA2 ")
OR { 4988}
(segid " " and resid "53 " and name "HD23")
(segid " " and resid "57 " and name "HA2 ")
ASSI { 4985}
(segid " " and resid "53 " and name "HD21")
(segid " " and resid "8 " and name "HN ")
3.000 1.100 1.100 peak 4985 weight 0.10000E+01 volume 0.69800E+00 ppm1 0.791 ppm2 6.667
OR { 4985}
(segid " " and resid "53 " and name "HD23")
(segid " " and resid "79 " and name "HE2 ")
OR { 4985}
(segid " " and resid "53 " and name "HD21")
(segid " " and resid "79 " and name "HE2 ")
OR { 4985}
(segid " " and resid "7 " and name "HG ")
(segid " " and resid "8 " and name "HN ")
OR { 4985}
(segid " " and resid "53 " and name "HD21")
(segid " " and resid "79 " and name "HE1 ")
OR { 4985}
(segid " " and resid "53 " and name "HD22")
(segid " " and resid "79 " and name "HE2 ")
ASSI { 5022}
(segid " " and resid "56 " and name "HG1 ")
(segid " " and resid "56 " and name "HA ")
2.400 0.700 0.700 peak 5022 weight 0.10000E+01 volume 0.15900E+01 ppm1 1.672 ppm2 4.298
OR { 5022}
(segid " " and resid "37 " and name "HG2 ")
(segid " " and resid "37 " and name "HA ")
OR { 5022}
(segid " " and resid "56 " and name "HG2 ")
(segid " " and resid "56 " and name "HA ")
ASSI { 5745}
(segid " " and resid "53 " and name "HG ")
(segid " " and resid "53 " and name "HA ")
3.200 1.300 1.300 peak 5745 weight 0.10000E+01 volume 0.29200E+00 ppm1 1.903 ppm2 4.295
OR { 5745}
(segid " " and resid "37 " and name "HG1 ")
(segid " " and resid "37 " and name "HA ")
ASSI { 4488}
(segid " " and resid "56 " and name "HG1 ")
(segid " " and resid "56 " and name "HD1 ")
2.000 0.500 0.500 peak 4488 weight 0.10000E+01 volume 0.23630E+01 ppm1 1.762 ppm2 3.175
OR { 4488}
(segid " " and resid "86 " and name "HG1 ")
(segid " " and resid "86 " and name "HD2 ")
OR { 4488}
(segid " " and resid "56 " and name "HG2 ")
(segid " " and resid "56 " and name "HD2 ")
OR { 4488}
(segid " " and resid "56 " and name "HG2 ")
(segid " " and resid "56 " and name "HD1 ")
OR { 4488}
(segid " " and resid "56 " and name "HG1 ")
(segid " " and resid "56 " and name "HD2 ")
OR { 4488}
(segid " " and resid "86 " and name "HG1 ")
(segid " " and resid "86 " and name "HD1 ")
ASSI { 5374}
(segid " " and resid "59 " and name "HG ")
(segid " " and resid "59 " and name "HD21")
2.400 0.700 0.700 peak 5374 weight 0.10000E+01 volume 0.20560E+01 ppm1 1.199 ppm2 0.672
OR { 5374}
(segid " " and resid "59 " and name "HG ")
(segid " " and resid "59 " and name "HD13")
OR { 5374}
(segid " " and resid "59 " and name "HG ")
(segid " " and resid "59 " and name "HD12")
OR { 5374}
(segid " " and resid "59 " and name "HG ")
(segid " " and resid "59 " and name "HD23")
OR { 5374}
(segid " " and resid "84 " and name "HG12")
(segid " " and resid "84 " and name "HD13")
OR { 5374}
(segid " " and resid "59 " and name "HG ")
(segid " " and resid "59 " and name "HD11")
ASSI { 4489}
(segid " " and resid "21 " and name "HG1 ")
(segid " " and resid "21 " and name "HB2 ")
2.400 0.700 0.700 peak 4489 weight 0.10000E+01 volume 0.78300E+00 ppm1 1.734 ppm2 1.001
OR { 4489}
(segid " " and resid "53 " and name "HG ")
(segid " " and resid "53 " and name "HB2 ")
ASSI { 4487}
(segid " " and resid "53 " and name "HG ")
(segid " " and resid "53 " and name "HA ")
2.600 0.800 0.800 peak 4487 weight 0.10000E+01 volume 0.10470E+01 ppm1 1.760 ppm2 4.293
OR { 4487}
(segid " " and resid "56 " and name "HG1 ")
(segid " " and resid "56 " and name "HA ")
OR { 4487}
(segid " " and resid "56 " and name "HG2 ")
(segid " " and resid "56 " and name "HA ")
ASSI { 5319}
(segid " " and resid "21 " and name "HG2 ")
(segid " " and resid "48 " and name "HD1 ")
3.400 1.400 1.400 peak 5319 weight 0.10000E+01 volume 0.26500E+00 ppm1 1.398 ppm2 6.927
OR { 5319}
(segid " " and resid "34 " and name "HG2 ")
(segid " " and resid "38 " and name "HE2 ")
OR { 5319}
(segid " " and resid "34 " and name "HG2 ")
(segid " " and resid "38 " and name "HE1 ")
OR { 5319}
(segid " " and resid "21 " and name "HG2 ")
(segid " " and resid "48 " and name "HD2 ")
ASSI { 4483}
(segid " " and resid "21 " and name "HG1 ")
(segid " " and resid "50 " and name "HZ ")
3.600 1.600 1.600 peak 4483 weight 0.10000E+01 volume 0.17900E+00 ppm1 1.729 ppm2 7.106
OR { 4483}
(segid " " and resid "21 " and name "HG1 ")
(segid " " and resid "50 " and name "HE1 ")
OR { 4483}
(segid " " and resid "21 " and name "HG1 ")
(segid " " and resid "50 " and name "HE2 ")
OR { 4483}
(segid " " and resid "53 " and name "HG ")
(segid " " and resid "60 " and name "HD1 ")
ASSI { 6464}
(segid " " and resid "21 " and name "HG1 ")
(segid " " and resid "48 " and name "HD1 ")
3.500 1.500 1.500 peak 6464 weight 0.10000E+01 volume 0.21400E+00 ppm1 1.738 ppm2 6.924
OR { 6464}
(segid " " and resid "53 " and name "HG ")
(segid " " and resid "79 " and name "HD2 ")
ASSI { 4624}
(segid " " and resid "39 " and name "HG ")
(segid " " and resid "38 " and name "HA ")
3.000 1.100 1.100 peak 4624 weight 0.10000E+01 volume 0.45100E+00 ppm1 1.575 ppm2 5.348
OR { 4624}
(segid " " and resid "84 " and name "HG11")
(segid " " and resid "85 " and name "HA ")
OR { 4624}
(segid " " and resid "37 " and name "HG2 ")
(segid " " and resid "38 " and name "HA ")
OR { 4624}
(segid " " and resid "28 " and name "HG ")
(segid " " and resid "85 " and name "HA ")
ASSI { 4629}
(segid " " and resid "84 " and name "HG11")
(segid " " and resid "41 " and name "HD11")
3.000 1.100 1.100 peak 4629 weight 0.10000E+01 volume 0.58700E+00 ppm1 1.569 ppm2 0.300
OR { 4629}
(segid " " and resid "39 " and name "HG ")
(segid " " and resid "41 " and name "HD12")
OR { 4629}
(segid " " and resid "84 " and name "HG11")
(segid " " and resid "41 " and name "HD13")
OR { 4629}
(segid " " and resid "84 " and name "HG11")
(segid " " and resid "41 " and name "HD12")
ASSI { 6742}
(segid " " and resid "43 " and name "HG2 ")
(segid " " and resid "28 " and name "HA ")
2.800 1.000 1.000 peak 6742 weight 0.10000E+01 volume 0.64300E+00 ppm1 1.343 ppm2 4.246
OR { 6742}
(segid " " and resid "34 " and name "HG2 ")
(segid " " and resid "34 " and name "HA ")
OR { 6742}
(segid " " and resid "43 " and name "HG1 ")
(segid " " and resid "28 " and name "HA ")
ASSI { 6740}
(segid " " and resid "21 " and name "HG2 ")
(segid " " and resid "48 " and name "HD1 ")
3.500 1.500 1.500 peak 6740 weight 0.10000E+01 volume 0.24100E+00 ppm1 1.346 ppm2 6.925
OR { 6740}
(segid " " and resid "34 " and name "HG2 ")
(segid " " and resid "38 " and name "HE2 ")
OR { 6740}
(segid " " and resid "34 " and name "HG2 ")
(segid " " and resid "31 " and name "HE1 ")
OR { 6740}
(segid " " and resid "34 " and name "HG2 ")
(segid " " and resid "38 " and name "HE1 ")
OR { 6740}
(segid " " and resid "21 " and name "HG2 ")
(segid " " and resid "48 " and name "HD2 ")
ASSI { 881}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "51 " and name "HB2 ")
2.100 0.600 0.600 peak 881 weight 0.10000E+01 volume 0.16020E+01 ppm1 1.902 ppm2 3.587
OR { 881}
(segid " " and resid "93 " and name "HG2 ")
(segid " " and resid "93 " and name "HD2 ")
OR { 881}
(segid " " and resid "3 " and name "HG2 ")
(segid " " and resid "3 " and name "HD1 ")
ASSI { 4093}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE1 ")
2.200 0.600 0.600 peak 4093 weight 0.10000E+01 volume 0.12970E+01 ppm1 2.036 ppm2 3.456
OR { 4093}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 4093}
(segid " " and resid "3 " and name "HG1 ")
(segid " " and resid "3 " and name "HD2 ")
OR { 4093}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 4093}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 6735}
(segid " " and resid "39 " and name "HG ")
(segid " " and resid "80 " and name "HD2 ")
3.400 1.400 1.400 peak 6735 weight 0.10000E+01 volume 0.26000E+00 ppm1 1.505 ppm2 6.931
OR { 6735}
(segid " " and resid "34 " and name "HG1 ")
(segid " " and resid "31 " and name "HE1 ")
OR { 6735}
(segid " " and resid "41 " and name "HG11")
(segid " " and resid "80 " and name "HD2 ")
OR { 6735}
(segid " " and resid "39 " and name "HG ")
(segid " " and resid "80 " and name "HE2 ")
OR { 6735}
(segid " " and resid "91 " and name "HG ")
(segid " " and resid "48 " and name "HD1 ")
OR { 6735}
(segid " " and resid "41 " and name "HG11")
(segid " " and resid "80 " and name "HE2 ")
ASSI { 4973}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
2.600 0.800 0.800 peak 4973 weight 0.10000E+01 volume 0.44500E+00 ppm1 1.804 ppm2 2.794
OR { 4973}
(segid " " and resid "53 " and name "HG ")
(segid " " and resid "53 " and name "HB1 ")
OR { 4973}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 4973}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 4628}
(segid " " and resid "76 " and name "HG1 ")
(segid " " and resid "76 " and name "HD2 ")
1.700 0.400 0.500 peak 4628 weight 0.10000E+01 volume 0.50790E+01 ppm1 1.555 ppm2 3.176
OR { 4628}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE1 ")
OR { 4628}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 4628}
(segid " " and resid "76 " and name "HG2 ")
(segid " " and resid "76 " and name "HD2 ")
OR { 4628}
(segid " " and resid "76 " and name "HG1 ")
(segid " " and resid "76 " and name "HD1 ")
OR { 4628}
(segid " " and resid "76 " and name "HG2 ")
(segid " " and resid "76 " and name "HD1 ")
ASSI { 863}
(segid " " and resid "93 " and name "HG2 ")
(segid " " and resid "93 " and name "HD2 ")
2.000 0.500 0.500 peak 863 weight 0.10000E+01 volume 0.19480E+01 ppm1 2.028 ppm2 3.589
OR { 863}
(segid " " and resid "3 " and name "HG1 ")
(segid " " and resid "3 " and name "HD1 ")
OR { 863}
(segid " " and resid "93 " and name "HG1 ")
(segid " " and resid "93 " and name "HD2 ")
ASSI { 4209}
(segid " " and resid "93 " and name "HG2 ")
(segid " " and resid "93 " and name "HA ")
3.000 1.100 1.100 peak 4209 weight 0.10000E+01 volume 0.44900E+00 ppm1 1.905 ppm2 4.099
OR { 4209}
(segid " " and resid "3 " and name "HG2 ")
(segid " " and resid "3 " and name "HA ")
ASSI { 3928}
(segid " " and resid "93 " and name "HG2 ")
(segid " " and resid "93 " and name "HA ")
3.000 1.100 1.100 peak 3928 weight 0.10000E+01 volume 0.43400E+00 ppm1 2.036 ppm2 4.100
OR { 3928}
(segid " " and resid "93 " and name "HG1 ")
(segid " " and resid "93 " and name "HA ")
OR { 3928}
(segid " " and resid "3 " and name "HG1 ")
(segid " " and resid "3 " and name "HA ")
ASSI { 4210}
(segid " " and resid "3 " and name "HG2 ")
(segid " " and resid "3 " and name "HD2 ")
2.100 0.600 0.600 peak 4210 weight 0.10000E+01 volume 0.14340E+01 ppm1 1.906 ppm2 3.450
OR { 4210}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 4210}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 4210}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 6733}
(segid " " and resid "34 " and name "HG1 ")
(segid " " and resid "35 " and name "HN ")
3.200 1.300 1.300 peak 6733 weight 0.10000E+01 volume 0.25800E+00 ppm1 1.491 ppm2 7.372
OR { 6733}
(segid " " and resid "43 " and name "HG1 ")
(segid " " and resid "29 " and name "HN ")
OR { 6733}
(segid " " and resid "28 " and name "HG ")
(segid " " and resid "29 " and name "HN ")
ASSI { 6736}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "51 " and name "HB1 ")
2.700 0.900 0.900 peak 6736 weight 0.10000E+01 volume 0.43100E+00 ppm1 1.498 ppm2 4.042
OR { 6736}
(segid " " and resid "91 " and name "HG ")
(segid " " and resid "90 " and name "HA ")
ASSI { 862}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "53 " and name "HA ")
3.400 1.400 1.400 peak 862 weight 0.10000E+01 volume 0.19500E+00 ppm1 2.029 ppm2 4.378
OR { 862}
(segid " " and resid "3 " and name "HG1 ")
(segid " " and resid "2 " and name "HA1 ")
OR { 862}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "53 " and name "HA ")
ASSI { 4774}
(segid " " and resid "41 " and name "HG11")
(segid " " and resid "41 " and name "HA ")
2.400 0.700 0.700 peak 4774 weight 0.10000E+01 volume 0.17740E+01 ppm1 1.447 ppm2 4.385
OR { 4774}
(segid " " and resid "91 " and name "HG ")
(segid " " and resid "91 " and name "HA ")
ASSI { 5486}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "51 " and name "HB2 ")
2.000 0.500 0.500 peak 5486 weight 0.10000E+01 volume 0.19450E+01 ppm1 1.939 ppm2 3.696
OR { 5486}
(segid " " and resid "93 " and name "HG1 ")
(segid " " and resid "93 " and name "HD1 ")
OR { 5486}
(segid " " and resid "93 " and name "HG2 ")
(segid " " and resid "93 " and name "HD1 ")
ASSI { 5485}
(segid " " and resid "93 " and name "HG2 ")
(segid " " and resid "93 " and name "HA ")
2.600 0.800 0.800 peak 5485 weight 0.10000E+01 volume 0.97200E+00 ppm1 1.940 ppm2 4.166
OR { 5485}
(segid " " and resid "3 " and name "HG2 ")
(segid " " and resid "3 " and name "HA ")
OR { 5485}
(segid " " and resid "5 " and name "HG1 ")
(segid " " and resid "5 " and name "HA ")
OR { 5485}
(segid " " and resid "5 " and name "HG2 ")
(segid " " and resid "5 " and name "HA ")
OR { 5485}
(segid " " and resid "93 " and name "HG1 ")
(segid " " and resid "93 " and name "HA ")
ASSI { 4245}
(segid " " and resid "5 " and name "HG2 ")
(segid " " and resid "4 " and name "HA ")
3.500 1.500 1.500 peak 4245 weight 0.10000E+01 volume 0.17800E+00 ppm1 1.861 ppm2 5.060
OR { 4245}
(segid " " and resid "81 " and name "HG1 ")
(segid " " and resid "60 " and name "HA ")
ASSI { 4246}
(segid " " and resid "93 " and name "HG2 ")
(segid " " and resid "93 " and name "HA ")
3.000 1.100 1.100 peak 4246 weight 0.10000E+01 volume 0.45700E+00 ppm1 1.861 ppm2 4.224
OR { 4246}
(segid " " and resid "5 " and name "HG2 ")
(segid " " and resid "5 " and name "HA ")
ASSI { 6221}
(segid " " and resid "5 " and name "HG1 ")
(segid " " and resid "4 " and name "HA ")
3.700 1.700 1.700 peak 6221 weight 0.10000E+01 volume 0.12500E+00 ppm1 1.979 ppm2 5.044
OR { 6221}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "13 " and name "HA ")
ASSI { 4248}
(segid " " and resid "5 " and name "HG2 ")
(segid " " and resid "5 " and name "HD2 ")
2.400 0.700 0.700 peak 4248 weight 0.10000E+01 volume 0.72800E+00 ppm1 1.866 ppm2 3.275
OR { 4248}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 4248}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 4248}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 4244}
(segid " " and resid "5 " and name "HG2 ")
(segid " " and resid "5 " and name "HD2 ")
2.400 0.700 0.700 peak 4244 weight 0.10000E+01 volume 0.64000E+00 ppm1 1.970 ppm2 3.283
OR { 4244}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 4244}
(segid " " and resid "5 " and name "HG1 ")
(segid " " and resid "5 " and name "HD2 ")
OR { 4244}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 4244}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 5661}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
2.200 0.600 0.600 peak 5661 weight 0.10000E+01 volume 0.10570E+01 ppm1 1.552 ppm2 3.301
OR { 5661}
(segid " " and resid "10 " and name "HG2 ")
(segid " " and resid "10 " and name "HD1 ")
OR { 5661}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 5661}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 5662}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE1 ")
2.200 0.600 0.600 peak 5662 weight 0.10000E+01 volume 0.10420E+01 ppm1 1.550 ppm2 3.103
OR { 5662}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 5662}
(segid " " and resid "10 " and name "HG2 ")
(segid " " and resid "10 " and name "HD2 ")
OR { 5662}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 5662}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 5656}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
2.200 0.600 0.600 peak 5656 weight 0.10000E+01 volume 0.11740E+01 ppm1 1.645 ppm2 3.301
OR { 5656}
(segid " " and resid "10 " and name "HG2 ")
(segid " " and resid "10 " and name "HD1 ")
OR { 5656}
(segid " " and resid "10 " and name "HG1 ")
(segid " " and resid "10 " and name "HD1 ")
OR { 5656}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 5656}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 5657}
(segid " " and resid "10 " and name "HG1 ")
(segid " " and resid "10 " and name "HD2 ")
2.200 0.600 0.600 peak 5657 weight 0.10000E+01 volume 0.10480E+01 ppm1 1.645 ppm2 3.105
OR { 5657}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 5657}
(segid " " and resid "10 " and name "HG2 ")
(segid " " and resid "10 " and name "HD2 ")
OR { 5657}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 5657}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 5300}
(segid " " and resid "81 " and name "HG2 ")
(segid " " and resid "81 " and name "HD2 ")
2.400 0.700 0.700 peak 5300 weight 0.10000E+01 volume 0.64600E+00 ppm1 1.894 ppm2 2.692
OR { 5300}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE1 ")
OR { 5300}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 5300}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE2 ")
ASSI { 5289}
(segid " " and resid "81 " and name "HG1 ")
(segid " " and resid "60 " and name "HE1 ")
2.600 0.800 0.800 peak 5289 weight 0.10000E+01 volume 0.61000E+00 ppm1 1.944 ppm2 7.403
OR { 5289}
(segid " " and resid "81 " and name "HG2 ")
(segid " " and resid "31 " and name "HD2 ")
OR { 5289}
(segid " " and resid "56 " and name "HB2 ")
(segid " " and resid "56 " and name "HE ")
OR { 5289}
(segid " " and resid "56 " and name "HB1 ")
(segid " " and resid "56 " and name "HE ")
ASSI { 5290}
(segid " " and resid "81 " and name "HG1 ")
(segid " " and resid "60 " and name "HE1 ")
2.700 0.900 0.900 peak 5290 weight 0.10000E+01 volume 0.68500E+00 ppm1 1.892 ppm2 7.401
OR { 5290}
(segid " " and resid "81 " and name "HG2 ")
(segid " " and resid "31 " and name "HD2 ")
OR { 5290}
(segid " " and resid "56 " and name "HB2 ")
(segid " " and resid "56 " and name "HE ")
ASSI { 5298}
(segid " " and resid "81 " and name "HG1 ")
(segid " " and resid "81 " and name "HD1 ")
2.400 0.700 0.700 peak 5298 weight 0.10000E+01 volume 0.72500E+00 ppm1 1.892 ppm2 3.411
OR { 5298}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 5298}
(segid " " and resid "81 " and name "HG2 ")
(segid " " and resid "81 " and name "HD1 ")
OR { 5298}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE2 ")
ASSI { 4405}
(segid " " and resid "16 " and name "HB2 ")
(segid " " and resid "98 " and name "HG13")
3.300 1.400 1.400 peak 4405 weight 0.10000E+01 volume 0.22900E+00 ppm1 2.129 ppm2 1.067
OR { 4405}
(segid " " and resid "16 " and name "HB1 ")
(segid " " and resid "98 " and name "HG13")
OR { 4405}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "98 " and name "HG12")
OR { 4405}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "98 " and name "HG12")
OR { 4405}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "98 " and name "HG11")
OR { 4405}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "98 " and name "HG11")
ASSI { 4508}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HG1 ")
2.200 0.600 0.600 peak 4508 weight 0.10000E+01 volume 0.12410E+01 ppm1 1.762 ppm2 1.262
OR { 4508}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HG2 ")
OR { 4508}
(segid " " and resid "22 " and name "HG11")
(segid " " and resid "22 " and name "HB ")
OR { 4508}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HG1 ")
OR { 4508}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HG2 ")
ASSI { 4401}
(segid " " and resid "16 " and name "HB2 ")
(segid " " and resid "16 " and name "HA ")
2.200 0.600 0.600 peak 4401 weight 0.10000E+01 volume 0.24510E+01 ppm1 2.170 ppm2 3.916
OR { 4401}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "51 " and name "HB1 ")
OR { 4401}
(segid " " and resid "16 " and name "HB1 ")
(segid " " and resid "16 " and name "HA ")
ASSI { 4406}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "100 " and name "HG23")
3.400 1.400 1.400 peak 4406 weight 0.10000E+01 volume 0.25000E+00 ppm1 2.114 ppm2 0.904
OR { 4406}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "100 " and name "HG21")
OR { 4406}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "53 " and name "HD13")
OR { 4406}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "100 " and name "HG22")
OR { 4406}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "53 " and name "HD13")
ASSI { 4427}
(segid " " and resid "17 " and name "HB2 ")
(segid " " and resid "19 " and name "HB2 ")
2.900 1.100 1.100 peak 4427 weight 0.10000E+01 volume 0.33300E+00 ppm1 1.836 ppm2 3.775
OR { 4427}
(segid " " and resid "22 " and name "HG11")
(segid " " and resid "94 " and name "HA1 ")
ASSI { 5011}
(segid " " and resid "54 " and name "HD1 ")
(segid " " and resid "54 " and name "HB1 ")
2.600 0.800 0.800 peak 5011 weight 0.10000E+01 volume 0.40400E+00 ppm1 1.638 ppm2 1.952
OR { 5011}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "98 " and name "HB ")
ASSI { 5465}
(segid " " and resid "6 " and name "HD1 ")
(segid " " and resid "9 " and name "HA ")
2.700 0.900 0.900 peak 5465 weight 0.10000E+01 volume 0.74700E+00 ppm1 1.582 ppm2 4.625
OR { 5465}
(segid " " and resid "92 " and name "HD1 ")
(segid " " and resid "92 " and name "HA ")
OR { 5465}
(segid " " and resid "95 " and name "HD1 ")
(segid " " and resid "95 " and name "HA ")
OR { 5465}
(segid " " and resid "95 " and name "HD2 ")
(segid " " and resid "95 " and name "HA ")
ASSI { 5007}
(segid " " and resid "92 " and name "HD1 ")
(segid " " and resid "92 " and name "HA ")
2.900 1.100 1.100 peak 5007 weight 0.10000E+01 volume 0.56200E+00 ppm1 1.633 ppm2 4.536
OR { 5007}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "100 " and name "HA ")
OR { 5007}
(segid " " and resid "95 " and name "HD1 ")
(segid " " and resid "95 " and name "HA ")
OR { 5007}
(segid " " and resid "95 " and name "HD2 ")
(segid " " and resid "95 " and name "HA ")
ASSI { 5020}
(segid " " and resid "58 " and name "HB2 ")
(segid " " and resid "58 " and name "HA ")
2.300 0.700 0.700 peak 5020 weight 0.10000E+01 volume 0.21430E+01 ppm1 1.861 ppm2 4.304
OR { 5020}
(segid " " and resid "56 " and name "HB2 ")
(segid " " and resid "56 " and name "HA ")
OR { 5020}
(segid " " and resid "22 " and name "HG11")
(segid " " and resid "22 " and name "HA ")
ASSI { 5018}
(segid " " and resid "58 " and name "HB2 ")
(segid " " and resid "58 " and name "HA ")
2.300 0.700 0.700 peak 5018 weight 0.10000E+01 volume 0.19290E+01 ppm1 2.002 ppm2 4.303
OR { 5018}
(segid " " and resid "56 " and name "HB1 ")
(segid " " and resid "56 " and name "HA ")
ASSI { 5535}
(segid " " and resid "102 " and name "HD1 ")
(segid " " and resid "102 " and name "HG2 ")
2.000 0.500 0.500 peak 5535 weight 0.10000E+01 volume 0.22500E+01 ppm1 1.246 ppm2 0.350
OR { 5535}
(segid " " and resid "102 " and name "HD2 ")
(segid " " and resid "102 " and name "HG2 ")
OR { 5535}
(segid " " and resid "52 " and name "HD1 ")
(segid " " and resid "52 " and name "HG1 ")
ASSI { 5586}
(segid " " and resid "99 " and name "HD2 ")
(segid " " and resid "99 " and name "HE1 ")
2.000 0.500 0.500 peak 5586 weight 0.10000E+01 volume 0.19490E+01 ppm1 1.771 ppm2 3.071
OR { 5586}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 5586}
(segid " " and resid "99 " and name "HD2 ")
(segid " " and resid "99 " and name "HE2 ")
OR { 5586}
(segid " " and resid "99 " and name "HD1 ")
(segid " " and resid "99 " and name "HE1 ")
OR { 5586}
(segid " " and resid "99 " and name "HD1 ")
(segid " " and resid "99 " and name "HE2 ")
ASSI { 5585}
(segid " " and resid "99 " and name "HD1 ")
(segid " " and resid "99 " and name "HA ")
3.100 1.200 1.200 peak 5585 weight 0.10000E+01 volume 0.29500E+00 ppm1 1.769 ppm2 4.603
OR { 5585}
(segid " " and resid "99 " and name "HD2 ")
(segid " " and resid "99 " and name "HA ")
OR { 5585}
(segid " " and resid "56 " and name "HB2 ")
(segid " " and resid "57 " and name "HA1 ")
ASSI { 1373}
(segid " " and resid "6 " and name "HD2 ")
(segid " " and resid "6 " and name "HE1 ")
2.100 0.600 0.600 peak 1373 weight 0.10000E+01 volume 0.15520E+01 ppm1 1.587 ppm2 2.802
OR { 1373}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 1373}
(segid " " and resid "92 " and name "HD1 ")
(segid " " and resid "92 " and name "HE2 ")
OR { 1373}
(segid " " and resid "6 " and name "HD2 ")
(segid " " and resid "6 " and name "HE2 ")
OR { 1373}
(segid " " and resid "6 " and name "HD1 ")
(segid " " and resid "6 " and name "HE1 ")
OR { 1373}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 1373}
(segid " " and resid "92 " and name "HD1 ")
(segid " " and resid "92 " and name "HE1 ")
ASSI { 1258}
(segid " " and resid "95 " and name "HD2 ")
(segid " " and resid "95 " and name "HE1 ")
2.000 0.500 0.500 peak 1258 weight 0.10000E+01 volume 0.20700E+01 ppm1 1.590 ppm2 2.887
OR { 1258}
(segid " " and resid "6 " and name "HD2 ")
(segid " " and resid "6 " and name "HE1 ")
OR { 1258}
(segid " " and resid "92 " and name "HD1 ")
(segid " " and resid "92 " and name "HE2 ")
OR { 1258}
(segid " " and resid "6 " and name "HD1 ")
(segid " " and resid "6 " and name "HE1 ")
OR { 1258}
(segid " " and resid "95 " and name "HD2 ")
(segid " " and resid "95 " and name "HE2 ")
OR { 1258}
(segid " " and resid "95 " and name "HD1 ")
(segid " " and resid "95 " and name "HE1 ")
OR { 1258}
(segid " " and resid "95 " and name "HD1 ")
(segid " " and resid "95 " and name "HE2 ")
OR { 1258}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 1258}
(segid " " and resid "92 " and name "HD1 ")
(segid " " and resid "92 " and name "HE1 ")
ASSI { 5037}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE1 ")
2.200 0.600 0.600 peak 5037 weight 0.10000E+01 volume 0.12800E+01 ppm1 1.942 ppm2 3.225
OR { 5037}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 5037}
(segid " " and resid "58 " and name "HB2 ")
(segid " " and resid "58 " and name "HD2 ")
OR { 5037}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 5037}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 5036}
(segid " " and resid "58 " and name "HB2 ")
(segid " " and resid "58 " and name "HA ")
2.300 0.700 0.700 peak 5036 weight 0.10000E+01 volume 0.20300E+01 ppm1 1.942 ppm2 4.301
OR { 5036}
(segid " " and resid "56 " and name "HB1 ")
(segid " " and resid "56 " and name "HA ")
OR { 5036}
(segid " " and resid "56 " and name "HB2 ")
(segid " " and resid "56 " and name "HA ")
OR { 5036}
(segid " " and resid "108 " and name "HB2 ")
(segid " " and resid "108 " and name "HA ")
ASSI { 7642}
(segid " " and resid "52 " and name "HD2 ")
(segid " " and resid "49 " and name "HG11")
3.500 1.500 1.500 peak 7642 weight 0.10000E+01 volume 0.24400E+00 ppm1 1.000 ppm2 0.705
OR { 7642}
(segid " " and resid "52 " and name "HD2 ")
(segid " " and resid "49 " and name "HG13")
OR { 7642}
(segid " " and resid "52 " and name "HD2 ")
(segid " " and resid "49 " and name "HG12")
OR { 7642}
(segid " " and resid "52 " and name "HD2 ")
(segid " " and resid "12 " and name "HD12")
OR { 7642}
(segid " " and resid "52 " and name "HD2 ")
(segid " " and resid "22 " and name "HG23")
ASSI { 5145}
(segid " " and resid "108 " and name "HB2 ")
(segid " " and resid "108 " and name "HE22")
3.400 1.400 1.400 peak 5145 weight 0.10000E+01 volume 0.20400E+00 ppm1 1.910 ppm2 6.780
OR { 5145}
(segid " " and resid "66 " and name "HB2 ")
(segid " " and resid "66 " and name "HE22")
OR { 5145}
(segid " " and resid "66 " and name "HB2 ")
(segid " " and resid "48 " and name "HE1 ")
ASSI { 5151}
(segid " " and resid "66 " and name "HB2 ")
(segid " " and resid "46 " and name "HG12")
3.000 1.100 1.100 peak 5151 weight 0.10000E+01 volume 0.57200E+00 ppm1 1.901 ppm2 0.695
OR { 5151}
(segid " " and resid "45 " and name "HB2 ")
(segid " " and resid "41 " and name "HG22")
OR { 5151}
(segid " " and resid "45 " and name "HB2 ")
(segid " " and resid "41 " and name "HG21")
OR { 5151}
(segid " " and resid "45 " and name "HB2 ")
(segid " " and resid "41 " and name "HG23")
ASSI { 5144}
(segid " " and resid "108 " and name "HB1 ")
(segid " " and resid "108 " and name "HE22")
3.400 1.400 1.400 peak 5144 weight 0.10000E+01 volume 0.22600E+00 ppm1 2.195 ppm2 6.768
OR { 5144}
(segid " " and resid "108 " and name "HB1 ")
(segid " " and resid "106 " and name "HE2 ")
ASSI { 5649}
(segid " " and resid "58 " and name "HB2 ")
(segid " " and resid "58 " and name "HA ")
2.300 0.700 0.700 peak 5649 weight 0.10000E+01 volume 0.22790E+01 ppm1 2.000 ppm2 4.254
OR { 5649}
(segid " " and resid "45 " and name "HB2 ")
(segid " " and resid "45 " and name "HA ")
OR { 5649}
(segid " " and resid "108 " and name "HB2 ")
(segid " " and resid "108 " and name "HA ")
ASSI { 5648}
(segid " " and resid "108 " and name "HB1 ")
(segid " " and resid "108 " and name "HA ")
2.500 0.800 0.800 peak 5648 weight 0.10000E+01 volume 0.13830E+01 ppm1 2.218 ppm2 4.252
OR { 5648}
(segid " " and resid "45 " and name "HB1 ")
(segid " " and resid "45 " and name "HA ")
ASSI { 4819}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
2.000 0.500 0.500 peak 4819 weight 0.10000E+01 volume 0.21920E+01 ppm1 1.453 ppm2 3.190
OR { 4819}
(segid " " and resid "43 " and name "HB2 ")
(segid " " and resid "43 " and name "HA ")
OR { 4819}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 4819}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 4816}
(segid " " and resid "43 " and name "HB1 ")
(segid " " and resid "29 " and name "HA ")
2.900 1.100 1.100 peak 4816 weight 0.10000E+01 volume 0.45300E+00 ppm1 1.675 ppm2 4.547
OR { 4816}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "100 " and name "HA ")
ASSI { 4830}
(segid " " and resid "45 " and name "HB2 ")
(segid " " and resid "45 " and name "HA ")
2.300 0.700 0.700 peak 4830 weight 0.10000E+01 volume 0.24220E+01 ppm1 1.976 ppm2 4.248
OR { 4830}
(segid " " and resid "87 " and name "HB2 ")
(segid " " and resid "87 " and name "HA ")
OR { 4830}
(segid " " and resid "108 " and name "HB2 ")
(segid " " and resid "108 " and name "HA ")
ASSI { 4832}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "100 " and name "HG23")
2.700 0.900 0.900 peak 4832 weight 0.10000E+01 volume 0.96900E+00 ppm1 1.969 ppm2 1.039
OR { 4832}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "100 " and name "HG21")
OR { 4832}
(segid " " and resid "45 " and name "HB2 ")
(segid " " and resid "65 " and name "HG21")
OR { 4832}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "100 " and name "HG22")
OR { 4832}
(segid " " and resid "45 " and name "HB2 ")
(segid " " and resid "65 " and name "HG23")
ASSI { 4828}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "100 " and name "HG23")
2.800 1.000 1.000 peak 4828 weight 0.10000E+01 volume 0.75600E+00 ppm1 2.130 ppm2 1.035
OR { 4828}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "100 " and name "HG21")
OR { 4828}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "100 " and name "HG22")
OR { 4828}
(segid " " and resid "45 " and name "HB1 ")
(segid " " and resid "65 " and name "HG21")
OR { 4828}
(segid " " and resid "45 " and name "HB1 ")
(segid " " and resid "65 " and name "HG22")
OR { 4828}
(segid " " and resid "45 " and name "HB1 ")
(segid " " and resid "65 " and name "HG23")
ASSI { 4476}
(segid " " and resid "21 " and name "HB2 ")
(segid " " and resid "48 " and name "HA ")
3.600 1.600 1.600 peak 4476 weight 0.10000E+01 volume 0.15700E+00 ppm1 1.005 ppm2 4.898
OR { 4476}
(segid " " and resid "21 " and name "HB2 ")
(segid " " and resid "20 " and name "HA ")
ASSI { 4470}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "51 " and name "HB2 ")
2.500 0.800 0.800 peak 4470 weight 0.10000E+01 volume 0.11530E+01 ppm1 1.496 ppm2 3.523
OR { 4470}
(segid " " and resid "21 " and name "HB1 ")
(segid " " and resid "21 " and name "HA ")
ASSI { 5281}
(segid " " and resid "81 " and name "HB1 ")
(segid " " and resid "84 " and name "HG22")
3.000 1.100 1.100 peak 5281 weight 0.10000E+01 volume 0.46200E+00 ppm1 2.060 ppm2 0.812
OR { 5281}
(segid " " and resid "81 " and name "HB1 ")
(segid " " and resid "59 " and name "HB2 ")
OR { 5281}
(segid " " and resid "45 " and name "HB1 ")
(segid " " and resid "41 " and name "HG12")
OR { 5281}
(segid " " and resid "81 " and name "HB1 ")
(segid " " and resid "84 " and name "HG23")
OR { 5281}
(segid " " and resid "81 " and name "HB1 ")
(segid " " and resid "84 " and name "HG21")
OR { 5281}
(segid " " and resid "87 " and name "HB1 ")
(segid " " and resid "85 " and name "HG22")
ASSI { 5279}
(segid " " and resid "87 " and name "HB2 ")
(segid " " and resid "23 " and name "HB1 ")
2.900 1.100 1.100 peak 5279 weight 0.10000E+01 volume 0.24400E+00 ppm1 2.075 ppm2 3.804
OR { 5279}
(segid " " and resid "87 " and name "HB2 ")
(segid " " and resid "23 " and name "HB2 ")
OR { 5279}
(segid " " and resid "81 " and name "HB1 ")
(segid " " and resid "83 " and name "HB1 ")
OR { 5279}
(segid " " and resid "87 " and name "HB1 ")
(segid " " and resid "23 " and name "HB2 ")
ASSI { 5283}
(segid " " and resid "87 " and name "HB2 ")
(segid " " and resid "25 " and name "HA ")
3.200 1.300 1.300 peak 5283 weight 0.10000E+01 volume 0.30000E+00 ppm1 2.143 ppm2 5.295
OR { 5283}
(segid " " and resid "45 " and name "HB1 ")
(segid " " and resid "42 " and name "HA ")
OR { 5283}
(segid " " and resid "81 " and name "HB1 ")
(segid " " and resid "80 " and name "HA ")
OR { 5283}
(segid " " and resid "87 " and name "HB1 ")
(segid " " and resid "25 " and name "HA ")
ASSI { 4886}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "84 " and name "HA ")
3.000 1.100 1.100 peak 4886 weight 0.10000E+01 volume 0.47400E+00 ppm1 2.512 ppm2 4.374
OR { 4886}
(segid " " and resid "49 " and name "HB ")
(segid " " and resid "49 " and name "HA ")
ASSI { 3919}
(segid " " and resid "5 " and name "HB2 ")
(segid " " and resid "5 " and name "HA ")
2.600 0.800 0.800 peak 3919 weight 0.10000E+01 volume 0.10940E+01 ppm1 1.510 ppm2 4.227
OR { 3919}
(segid " " and resid "37 " and name "HB2 ")
(segid " " and resid "37 " and name "HA ")
ASSI { 4239}
(segid " " and resid "24 " and name "HG2 ")
(segid " " and resid "46 " and name "HG12")
2.500 0.800 0.800 peak 4239 weight 0.10000E+01 volume 0.17070E+01 ppm1 2.028 ppm2 0.735
OR { 4239}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "84 " and name "HG21")
OR { 4239}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "84 " and name "HG23")
OR { 4239}
(segid " " and resid "24 " and name "HG2 ")
(segid " " and resid "46 " and name "HG11")
OR { 4239}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "84 " and name "HG23")
OR { 4239}
(segid " " and resid "24 " and name "HG2 ")
(segid " " and resid "46 " and name "HG13")
ASSI { 4229}
(segid " " and resid "5 " and name "HB1 ")
(segid " " and resid "5 " and name "HD1 ")
2.900 1.100 1.100 peak 4229 weight 0.10000E+01 volume 0.25100E+00 ppm1 2.215 ppm2 3.850
OR { 4229}
(segid " " and resid "93 " and name "HB1 ")
(segid " " and resid "94 " and name "HA1 ")
ASSI { 4231}
(segid " " and resid "24 " and name "HG1 ")
(segid " " and resid "48 " and name "HD2 ")
3.400 1.400 1.400 peak 4231 weight 0.10000E+01 volume 0.20100E+00 ppm1 2.188 ppm2 6.923
OR { 4231}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "29 " and name "HE22")
OR { 4231}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "29 " and name "HE22")
OR { 4231}
(segid " " and resid "24 " and name "HG1 ")
(segid " " and resid "48 " and name "HD1 ")
ASSI { 4237}
(segid " " and resid "5 " and name "HB1 ")
(segid " " and resid "5 " and name "HB2 ")
1.800 0.400 0.400 peak 4237 weight 0.10000E+01 volume 0.43560E+01 ppm1 2.213 ppm2 1.512
OR { 4237}
(segid " " and resid "34 " and name "HB1 ")
(segid " " and resid "34 " and name "HG1 ")
ASSI { 4674}
(segid " " and resid "49 " and name "HB ")
(segid " " and resid "22 " and name "HB ")
2.500 0.800 0.800 peak 4674 weight 0.10000E+01 volume 0.69200E+00 ppm1 2.475 ppm2 1.245
OR { 4674}
(segid " " and resid "32 " and name "HG1 ")
(segid " " and resid "40 " and name "HG23")
ASSI { 4238}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "84 " and name "HG21")
2.500 0.800 0.800 peak 4238 weight 0.10000E+01 volume 0.18990E+01 ppm1 2.192 ppm2 0.737
OR { 4238}
(segid " " and resid "24 " and name "HG1 ")
(segid " " and resid "46 " and name "HG11")
OR { 4238}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "84 " and name "HG23")
OR { 4238}
(segid " " and resid "24 " and name "HG1 ")
(segid " " and resid "91 " and name "HD22")
OR { 4238}
(segid " " and resid "24 " and name "HG1 ")
(segid " " and resid "46 " and name "HG12")
OR { 4238}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "84 " and name "HG23")
OR { 4238}
(segid " " and resid "24 " and name "HG1 ")
(segid " " and resid "46 " and name "HG13")
OR { 4238}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "84 " and name "HG21")
ASSI { 5512}
(segid " " and resid "102 " and name "HB1 ")
(segid " " and resid "102 " and name "HA ")
2.100 0.600 0.600 peak 5512 weight 0.10000E+01 volume 0.36480E+01 ppm1 1.603 ppm2 4.013
OR { 5512}
(segid " " and resid "96 " and name "HB ")
(segid " " and resid "96 " and name "HA ")
ASSI { 4676}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "29 " and name "HA ")
2.800 1.000 1.000 peak 4676 weight 0.10000E+01 volume 0.69600E+00 ppm1 2.349 ppm2 4.506
OR { 4676}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "29 " and name "HA ")
OR { 4676}
(segid " " and resid "32 " and name "HG2 ")
(segid " " and resid "32 " and name "HA ")
ASSI { 5475}
(segid " " and resid "34 " and name "HB1 ")
(segid " " and resid "34 " and name "HA ")
2.100 0.600 0.600 peak 5475 weight 0.10000E+01 volume 0.38540E+01 ppm1 2.231 ppm2 4.173
OR { 5475}
(segid " " and resid "5 " and name "HB1 ")
(segid " " and resid "5 " and name "HA ")
ASSI { 4680}
(segid " " and resid "93 " and name "HB2 ")
(segid " " and resid "93 " and name "HD1 ")
2.500 0.800 0.800 peak 4680 weight 0.10000E+01 volume 0.60500E+00 ppm1 1.718 ppm2 3.690
OR { 4680}
(segid " " and resid "34 " and name "HB2 ")
(segid " " and resid "34 " and name "HD1 ")
ASSI { 4679}
(segid " " and resid "34 " and name "HB2 ")
(segid " " and resid "34 " and name "HA ")
2.300 0.700 0.700 peak 4679 weight 0.10000E+01 volume 0.21030E+01 ppm1 1.721 ppm2 4.167
OR { 4679}
(segid " " and resid "93 " and name "HB2 ")
(segid " " and resid "93 " and name "HA ")
ASSI { 4848}
(segid " " and resid "46 " and name "HB ")
(segid " " and resid "46 " and name "HA ")
2.500 0.800 0.800 peak 4848 weight 0.10000E+01 volume 0.12830E+01 ppm1 1.883 ppm2 4.505
OR { 4848}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "29 " and name "HA ")
OR { 4848}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "29 " and name "HA ")
ASSI { 4207}
(segid " " and resid "37 " and name "HB1 ")
(segid " " and resid "37 " and name "HD1 ")
2.600 0.800 0.800 peak 4207 weight 0.10000E+01 volume 0.47900E+00 ppm1 1.857 ppm2 3.450
OR { 4207}
(segid " " and resid "3 " and name "HB2 ")
(segid " " and resid "3 " and name "HD2 ")
ASSI { 4196}
(segid " " and resid "3 " and name "HB1 ")
(segid " " and resid "3 " and name "HD2 ")
2.700 0.900 0.900 peak 4196 weight 0.10000E+01 volume 0.32900E+00 ppm1 2.089 ppm2 3.449
OR { 4196}
(segid " " and resid "3 " and name "HB1 ")
(segid " " and resid "2 " and name "HA2 ")
ASSI { 4195}
(segid " " and resid "3 " and name "HB1 ")
(segid " " and resid "3 " and name "HD1 ")
2.800 1.000 1.000 peak 4195 weight 0.10000E+01 volume 0.30900E+00 ppm1 2.098 ppm2 3.581
OR { 4195}
(segid " " and resid "3 " and name "HB1 ")
(segid " " and resid "2 " and name "HA2 ")
ASSI { 4204}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "29 " and name "HE22")
2.900 1.100 1.100 peak 4204 weight 0.10000E+01 volume 0.36600E+00 ppm1 1.860 ppm2 6.805
OR { 4204}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "29 " and name "HE22")
OR { 4204}
(segid " " and resid "3 " and name "HB2 ")
(segid " " and resid "106 " and name "HD2 ")
OR { 4204}
(segid " " and resid "37 " and name "HB1 ")
(segid " " and resid "37 " and name "HE ")
ASSI { 4201}
(segid " " and resid "34 " and name "HB1 ")
(segid " " and resid "34 " and name "HD2 ")
3.000 1.100 1.100 peak 4201 weight 0.10000E+01 volume 0.18000E+00 ppm1 2.134 ppm2 3.235
OR { 4201}
(segid " " and resid "1 " and name "HB1 ")
(segid " " and resid "107 " and name "HB2 ")
OR { 4201}
(segid " " and resid "1 " and name "HB2 ")
(segid " " and resid "107 " and name "HB2 ")
ASSI { 4185}
(segid " " and resid "3 " and name "HB1 ")
(segid " " and resid "3 " and name "HA ")
2.400 0.700 0.700 peak 4185 weight 0.10000E+01 volume 0.19180E+01 ppm1 2.207 ppm2 4.078
OR { 4185}
(segid " " and resid "1 " and name "HB1 ")
(segid " " and resid "1 " and name "HA ")
OR { 4185}
(segid " " and resid "1 " and name "HB2 ")
(segid " " and resid "1 " and name "HA ")
ASSI { 5415}
(segid " " and resid "29 " and name "HB2 ")
(segid " " and resid "29 " and name "HA ")
2.700 0.900 0.900 peak 5415 weight 0.10000E+01 volume 0.90800E+00 ppm1 1.834 ppm2 4.597
OR { 5415}
(segid " " and resid "99 " and name "HB2 ")
(segid " " and resid "99 " and name "HA ")
ASSI { 4222}
(segid " " and resid "29 " and name "HB2 ")
(segid " " and resid "29 " and name "HA ")
2.700 0.900 0.900 peak 4222 weight 0.10000E+01 volume 0.85300E+00 ppm1 1.946 ppm2 4.597
OR { 4222}
(segid " " and resid "99 " and name "HB1 ")
(segid " " and resid "99 " and name "HA ")
ASSI { 4648}
(segid " " and resid "29 " and name "HB2 ")
(segid " " and resid "29 " and name "HA ")
5.000 3.100 1.000 peak 4648 weight 0.10000E+01 volume -0.43900E+00 ppm1 1.872 ppm2 4.544
OR { 4648}
(segid " " and resid "99 " and name "HB2 ")
(segid " " and resid "99 " and name "HA ")
OR { 4648}
(segid " " and resid "99 " and name "HB1 ")
(segid " " and resid "99 " and name "HA ")
ASSI { 5442}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "84 " and name "HA ")
3.600 1.600 1.600 peak 5442 weight 0.10000E+01 volume 0.16100E+00 ppm1 2.236 ppm2 4.333
OR { 5442}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "84 " and name "HA ")
OR { 5442}
(segid " " and resid "1 " and name "HB1 ")
(segid " " and resid "108 " and name "HA ")
OR { 5442}
(segid " " and resid "65 " and name "HB ")
(segid " " and resid "41 " and name "HA ")
ASSI { 4421}
(segid " " and resid "16 " and name "HG1 ")
(segid " " and resid "98 " and name "HG22")
3.000 1.100 1.100 peak 4421 weight 0.10000E+01 volume 0.50400E+00 ppm1 2.462 ppm2 0.904
OR { 4421}
(segid " " and resid "16 " and name "HG2 ")
(segid " " and resid "98 " and name "HG22")
OR { 4421}
(segid " " and resid "16 " and name "HG1 ")
(segid " " and resid "98 " and name "HG21")
OR { 4421}
(segid " " and resid "16 " and name "HG1 ")
(segid " " and resid "98 " and name "HG23")
OR { 4421}
(segid " " and resid "16 " and name "HG2 ")
(segid " " and resid "98 " and name "HG21")
OR { 4421}
(segid " " and resid "61 " and name "HB2 ")
(segid " " and resid "85 " and name "HG21")
ASSI { 4418}
(segid " " and resid "16 " and name "HG1 ")
(segid " " and resid "98 " and name "HG13")
2.800 1.000 1.000 peak 4418 weight 0.10000E+01 volume 0.61000E+00 ppm1 2.465 ppm2 1.072
OR { 4418}
(segid " " and resid "16 " and name "HG2 ")
(segid " " and resid "98 " and name "HG13")
OR { 4418}
(segid " " and resid "61 " and name "HB2 ")
(segid " " and resid "49 " and name "HG23")
OR { 4418}
(segid " " and resid "61 " and name "HB2 ")
(segid " " and resid "49 " and name "HG22")
ASSI { 4422}
(segid " " and resid "61 " and name "HB2 ")
(segid " " and resid "49 " and name "HG11")
2.300 0.700 0.700 peak 4422 weight 0.10000E+01 volume 0.25460E+01 ppm1 2.461 ppm2 0.699
OR { 4422}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "84 " and name "HG21")
OR { 4422}
(segid " " and resid "61 " and name "HB2 ")
(segid " " and resid "49 " and name "HG12")
OR { 4422}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "84 " and name "HG23")
OR { 4422}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "84 " and name "HG23")
OR { 4422}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "84 " and name "HG21")
OR { 4422}
(segid " " and resid "61 " and name "HB2 ")
(segid " " and resid "49 " and name "HG13")
ASSI { 4123}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "29 " and name "HN ")
3.400 1.400 1.400 peak 4123 weight 0.10000E+01 volume 0.24800E+00 ppm1 2.481 ppm2 7.420
OR { 4123}
(segid " " and resid "61 " and name "HB2 ")
(segid " " and resid "61 " and name "HE3 ")
OR { 4123}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "29 " and name "HN ")
ASSI { 3810}
(segid " " and resid "61 " and name "HB2 ")
(segid " " and resid "80 " and name "HE1 ")
3.000 1.100 1.100 peak 3810 weight 0.10000E+01 volume 0.43200E+00 ppm1 2.480 ppm2 6.965
OR { 3810}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "29 " and name "HE22")
OR { 3810}
(segid " " and resid "16 " and name "HG1 ")
(segid " " and resid "16 " and name "HE22")
OR { 3810}
(segid " " and resid "16 " and name "HG2 ")
(segid " " and resid "16 " and name "HE22")
ASSI { 6216}
(segid " " and resid "4 " and name "HG1 ")
(segid " " and resid "4 " and name "HB1 ")
2.500 0.800 0.800 peak 6216 weight 0.10000E+01 volume 0.59700E+00 ppm1 2.716 ppm2 1.938
OR { 6216}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "29 " and name "HB2 ")
OR { 6216}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "29 " and name "HB2 ")
ASSI { 5156}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "84 " and name "HG12")
3.100 1.200 1.200 peak 5156 weight 0.10000E+01 volume 0.26400E+00 ppm1 2.362 ppm2 1.274
OR { 5156}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "43 " and name "HG2 ")
OR { 5156}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "84 " and name "HG12")
OR { 5156}
(segid " " and resid "66 " and name "HG1 ")
(segid " " and resid "74 " and name "HB2 ")
OR { 5156}
(segid " " and resid "66 " and name "HG1 ")
(segid " " and resid "74 " and name "HB1 ")
ASSI { 5154}
(segid " " and resid "66 " and name "HG1 ")
(segid " " and resid "66 " and name "HE22")
2.800 1.000 1.000 peak 5154 weight 0.10000E+01 volume 0.63000E+00 ppm1 2.360 ppm2 6.778
OR { 5154}
(segid " " and resid "108 " and name "HG2 ")
(segid " " and resid "108 " and name "HE22")
OR { 5154}
(segid " " and resid "108 " and name "HG1 ")
(segid " " and resid "108 " and name "HE22")
OR { 5154}
(segid " " and resid "66 " and name "HG2 ")
(segid " " and resid "66 " and name "HE22")
ASSI { 6215}
(segid " " and resid "4 " and name "HG1 ")
(segid " " and resid "4 " and name "HE1 ")
3.000 1.100 1.100 peak 6215 weight 0.10000E+01 volume 0.52900E+00 ppm1 2.717 ppm2 2.123
OR { 6215}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "84 " and name "HB ")
OR { 6215}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "84 " and name "HB ")
OR { 6215}
(segid " " and resid "4 " and name "HG1 ")
(segid " " and resid "4 " and name "HE2 ")
ASSI { 5153}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "29 " and name "HE22")
3.300 1.400 1.400 peak 5153 weight 0.10000E+01 volume 0.24700E+00 ppm1 2.361 ppm2 6.919
OR { 5153}
(segid " " and resid "66 " and name "HG1 ")
(segid " " and resid "66 " and name "HE22")
OR { 5153}
(segid " " and resid "66 " and name "HG2 ")
(segid " " and resid "66 " and name "HE22")
OR { 5153}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "29 " and name "HE22")
ASSI { 6217}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "29 " and name "HB2 ")
2.600 0.800 0.800 peak 6217 weight 0.10000E+01 volume 0.48000E+00 ppm1 2.717 ppm2 1.780
OR { 6217}
(segid " " and resid "4 " and name "HG1 ")
(segid " " and resid "4 " and name "HB2 ")
OR { 6217}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "29 " and name "HB2 ")
ASSI { 5157}
(segid " " and resid "66 " and name "HG2 ")
(segid " " and resid "65 " and name "HG22")
3.000 1.100 1.100 peak 5157 weight 0.10000E+01 volume 0.57800E+00 ppm1 2.357 ppm2 1.017
OR { 5157}
(segid " " and resid "66 " and name "HG1 ")
(segid " " and resid "46 " and name "HG21")
OR { 5157}
(segid " " and resid "66 " and name "HG1 ")
(segid " " and resid "46 " and name "HG22")
OR { 5157}
(segid " " and resid "66 " and name "HG1 ")
(segid " " and resid "46 " and name "HG23")
OR { 5157}
(segid " " and resid "66 " and name "HG2 ")
(segid " " and resid "46 " and name "HG21")
OR { 5157}
(segid " " and resid "66 " and name "HG2 ")
(segid " " and resid "65 " and name "HG21")
OR { 5157}
(segid " " and resid "66 " and name "HG2 ")
(segid " " and resid "46 " and name "HG22")
OR { 5157}
(segid " " and resid "66 " and name "HG2 ")
(segid " " and resid "46 " and name "HG23")
ASSI { 5651}
(segid " " and resid "108 " and name "HG2 ")
(segid " " and resid "106 " and name "HE2 ")
3.000 1.100 1.100 peak 5651 weight 0.10000E+01 volume 0.40100E+00 ppm1 2.430 ppm2 6.710
OR { 5651}
(segid " " and resid "108 " and name "HG2 ")
(segid " " and resid "108 " and name "HE22")
OR { 5651}
(segid " " and resid "108 " and name "HG1 ")
(segid " " and resid "108 " and name "HE22")
OR { 5651}
(segid " " and resid "108 " and name "HG1 ")
(segid " " and resid "106 " and name "HE2 ")
ASSI { 5650}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "29 " and name "HE22")
3.000 1.100 1.100 peak 5650 weight 0.10000E+01 volume 0.44400E+00 ppm1 2.428 ppm2 6.798
OR { 5650}
(segid " " and resid "66 " and name "HG1 ")
(segid " " and resid "66 " and name "HE22")
OR { 5650}
(segid " " and resid "16 " and name "HG1 ")
(segid " " and resid "16 " and name "HE22")
OR { 5650}
(segid " " and resid "108 " and name "HG2 ")
(segid " " and resid "108 " and name "HE22")
OR { 5650}
(segid " " and resid "108 " and name "HG1 ")
(segid " " and resid "108 " and name "HE22")
OR { 5650}
(segid " " and resid "66 " and name "HG2 ")
(segid " " and resid "66 " and name "HE22")
ASSI { 5653}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "84 " and name "HG12")
3.000 1.100 1.100 peak 5653 weight 0.10000E+01 volume 0.29100E+00 ppm1 2.433 ppm2 1.276
OR { 5653}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "43 " and name "HG2 ")
OR { 5653}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "84 " and name "HG12")
OR { 5653}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "43 " and name "HG2 ")
OR { 5653}
(segid " " and resid "66 " and name "HG2 ")
(segid " " and resid "74 " and name "HB1 ")
OR { 5653}
(segid " " and resid "66 " and name "HG1 ")
(segid " " and resid "74 " and name "HB2 ")
OR { 5653}
(segid " " and resid "66 " and name "HG1 ")
(segid " " and resid "74 " and name "HB1 ")
ASSI { 5503}
(segid " " and resid "26 " and name "HB ")
(segid " " and resid "28 " and name "HD12")
3.000 1.100 1.100 peak 5503 weight 0.10000E+01 volume 0.60400E+00 ppm1 1.708 ppm2 0.703
OR { 5503}
(segid " " and resid "26 " and name "HB ")
(segid " " and resid "28 " and name "HD13")
OR { 5503}
(segid " " and resid "52 " and name "HB1 ")
(segid " " and resid "12 " and name "HD12")
OR { 5503}
(segid " " and resid "52 " and name "HB1 ")
(segid " " and resid "49 " and name "HG11")
OR { 5503}
(segid " " and resid "52 " and name "HB1 ")
(segid " " and resid "12 " and name "HD11")
OR { 5503}
(segid " " and resid "52 " and name "HB1 ")
(segid " " and resid "12 " and name "HD13")
OR { 5503}
(segid " " and resid "26 " and name "HB ")
(segid " " and resid "28 " and name "HD23")
OR { 5503}
(segid " " and resid "26 " and name "HB ")
(segid " " and resid "28 " and name "HD21")
OR { 5503}
(segid " " and resid "95 " and name "HB2 ")
(segid " " and resid "96 " and name "HG23")
OR { 5503}
(segid " " and resid "26 " and name "HB ")
(segid " " and resid "28 " and name "HD22")
ASSI { 5502}
(segid " " and resid "95 " and name "HB2 ")
(segid " " and resid "95 " and name "HG2 ")
1.900 0.500 0.500 peak 5502 weight 0.10000E+01 volume 0.26450E+01 ppm1 1.706 ppm2 1.263
OR { 5502}
(segid " " and resid "95 " and name "HB2 ")
(segid " " and resid "95 " and name "HG1 ")
OR { 5502}
(segid " " and resid "52 " and name "HB1 ")
(segid " " and resid "52 " and name "HD1 ")
ASSI { 4432}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "29 " and name "HB2 ")
1.900 0.500 0.500 peak 4432 weight 0.10000E+01 volume 0.27000E+01 ppm1 2.316 ppm2 1.838
OR { 4432}
(segid " " and resid "17 " and name "HG2 ")
(segid " " and resid "17 " and name "HB2 ")
OR { 4432}
(segid " " and resid "17 " and name "HG1 ")
(segid " " and resid "17 " and name "HB2 ")
OR { 4432}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "29 " and name "HB2 ")
ASSI { 4863}
(segid " " and resid "92 " and name "HB2 ")
(segid " " and resid "92 " and name "HA ")
2.500 0.800 0.800 peak 4863 weight 0.10000E+01 volume 0.14420E+01 ppm1 1.544 ppm2 4.558
OR { 4863}
(segid " " and resid "47 " and name "HB ")
(segid " " and resid "47 " and name "HA ")
ASSI { 4866}
(segid " " and resid "47 " and name "HB ")
(segid " " and resid "41 " and name "HG21")
3.300 1.400 1.400 peak 4866 weight 0.10000E+01 volume 0.28200E+00 ppm1 1.541 ppm2 0.690
OR { 4866}
(segid " " and resid "47 " and name "HB ")
(segid " " and resid "41 " and name "HG22")
OR { 4866}
(segid " " and resid "47 " and name "HB ")
(segid " " and resid "41 " and name "HG12")
OR { 4866}
(segid " " and resid "47 " and name "HB ")
(segid " " and resid "41 " and name "HG23")
OR { 4866}
(segid " " and resid "92 " and name "HB2 ")
(segid " " and resid "22 " and name "HG12")
OR { 4866}
(segid " " and resid "47 " and name "HB ")
(segid " " and resid "46 " and name "HG11")
OR { 4866}
(segid " " and resid "54 " and name "HB2 ")
(segid " " and resid "12 " and name "HD23")
OR { 4866}
(segid " " and resid "54 " and name "HB2 ")
(segid " " and resid "12 " and name "HD21")
OR { 4866}
(segid " " and resid "10 " and name "HB2 ")
(segid " " and resid "12 " and name "HD23")
OR { 4866}
(segid " " and resid "54 " and name "HB2 ")
(segid " " and resid "12 " and name "HD22")
ASSI { 4865}
(segid " " and resid "54 " and name "HB2 ")
(segid " " and resid "12 " and name "HD13")
3.100 1.200 1.200 peak 4865 weight 0.10000E+01 volume 0.43300E+00 ppm1 1.542 ppm2 0.853
OR { 4865}
(segid " " and resid "54 " and name "HB2 ")
(segid " " and resid "12 " and name "HD11")
OR { 4865}
(segid " " and resid "54 " and name "HB2 ")
(segid " " and resid "12 " and name "HD12")
OR { 4865}
(segid " " and resid "47 " and name "HB ")
(segid " " and resid "85 " and name "HG23")
OR { 4865}
(segid " " and resid "92 " and name "HB2 ")
(segid " " and resid "91 " and name "HD23")
OR { 4865}
(segid " " and resid "47 " and name "HB ")
(segid " " and resid "85 " and name "HG21")
OR { 4865}
(segid " " and resid "47 " and name "HB ")
(segid " " and resid "41 " and name "HG12")
OR { 4865}
(segid " " and resid "92 " and name "HB2 ")
(segid " " and resid "91 " and name "HD21")
OR { 4865}
(segid " " and resid "47 " and name "HB ")
(segid " " and resid "85 " and name "HG22")
OR { 4865}
(segid " " and resid "92 " and name "HB2 ")
(segid " " and resid "22 " and name "HG22")
OR { 4865}
(segid " " and resid "92 " and name "HB2 ")
(segid " " and resid "22 " and name "HG21")
ASSI { 4551}
(segid " " and resid "24 " and name "HB2 ")
(segid " " and resid "24 " and name "HG1 ")
2.100 0.600 0.600 peak 4551 weight 0.10000E+01 volume 0.15730E+01 ppm1 1.940 ppm2 2.195
OR { 4551}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "29 " and name "HB1 ")
OR { 4551}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "29 " and name "HB1 ")
ASSI { 4312}
(segid " " and resid "10 " and name "HB1 ")
(segid " " and resid "10 " and name "HD2 ")
2.600 0.800 0.800 peak 4312 weight 0.10000E+01 volume 0.42000E+00 ppm1 1.993 ppm2 3.108
OR { 4312}
(segid " " and resid "98 " and name "HB ")
(segid " " and resid "11 " and name "HE1 ")
OR { 4312}
(segid " " and resid "98 " and name "HB ")
(segid " " and resid "11 " and name "HE2 ")
ASSI { 4324}
(segid " " and resid "98 " and name "HB ")
(segid " " and resid "18 " and name "HB1 ")
2.900 1.100 1.100 peak 4324 weight 0.10000E+01 volume 0.23300E+00 ppm1 1.812 ppm2 3.698
OR { 4324}
(segid " " and resid "92 " and name "HB1 ")
(segid " " and resid "93 " and name "HD1 ")
ASSI { 4314}
(segid " " and resid "92 " and name "HB2 ")
(segid " " and resid "22 " and name "HA ")
3.000 1.100 1.100 peak 4314 weight 0.10000E+01 volume 0.43200E+00 ppm1 1.592 ppm2 4.349
OR { 4314}
(segid " " and resid "92 " and name "HB2 ")
(segid " " and resid "91 " and name "HA ")
ASSI { 4550}
(segid " " and resid "54 " and name "HB1 ")
(segid " " and resid "54 " and name "HE1 ")
2.200 0.600 0.600 peak 4550 weight 0.10000E+01 volume 0.12720E+01 ppm1 1.923 ppm2 2.891
OR { 4550}
(segid " " and resid "98 " and name "HB ")
(segid " " and resid "11 " and name "HE1 ")
OR { 4550}
(segid " " and resid "98 " and name "HB ")
(segid " " and resid "11 " and name "HE2 ")
OR { 4550}
(segid " " and resid "54 " and name "HB1 ")
(segid " " and resid "54 " and name "HE2 ")
ASSI { 5558}
(segid " " and resid "92 " and name "HB1 ")
(segid " " and resid "22 " and name "HA ")
2.500 0.800 0.800 peak 5558 weight 0.10000E+01 volume 0.12820E+01 ppm1 1.907 ppm2 4.430
OR { 5558}
(segid " " and resid "98 " and name "HB ")
(segid " " and resid "98 " and name "HA ")
ASSI { 4553}
(segid " " and resid "98 " and name "HB ")
(segid " " and resid "98 " and name "HG23")
2.200 0.600 0.600 peak 4553 weight 0.10000E+01 volume 0.33100E+01 ppm1 1.907 ppm2 0.907
OR { 4553}
(segid " " and resid "85 " and name "HB ")
(segid " " and resid "85 " and name "HG21")
OR { 4553}
(segid " " and resid "98 " and name "HB ")
(segid " " and resid "98 " and name "HG22")
OR { 4553}
(segid " " and resid "85 " and name "HB ")
(segid " " and resid "85 " and name "HG22")
ASSI { 5259}
(segid " " and resid "80 " and name "HB1 ")
(segid " " and resid "84 " and name "HD13")
3.400 1.400 1.400 peak 5259 weight 0.10000E+01 volume 0.21600E+00 ppm1 3.472 ppm2 0.682
OR { 5259}
(segid " " and resid "80 " and name "HB1 ")
(segid " " and resid "41 " and name "HG12")
OR { 5259}
(segid " " and resid "80 " and name "HB1 ")
(segid " " and resid "84 " and name "HD12")
OR { 5259}
(segid " " and resid "80 " and name "HB1 ")
(segid " " and resid "84 " and name "HD11")
ASSI { 5353}
(segid " " and resid "87 " and name "HG1 ")
(segid " " and resid "85 " and name "HG21")
3.000 1.100 1.100 peak 5353 weight 0.10000E+01 volume 0.33800E+00 ppm1 2.501 ppm2 0.827
OR { 5353}
(segid " " and resid "80 " and name "HB2 ")
(segid " " and resid "41 " and name "HG12")
OR { 5353}
(segid " " and resid "80 " and name "HB2 ")
(segid " " and resid "84 " and name "HG22")
OR { 5353}
(segid " " and resid "80 " and name "HB2 ")
(segid " " and resid "85 " and name "HG23")
OR { 5353}
(segid " " and resid "80 " and name "HB2 ")
(segid " " and resid "84 " and name "HG21")
OR { 5353}
(segid " " and resid "87 " and name "HG1 ")
(segid " " and resid "85 " and name "HG22")
OR { 5353}
(segid " " and resid "80 " and name "HB2 ")
(segid " " and resid "85 " and name "HG21")
ASSI { 5352}
(segid " " and resid "80 " and name "HB2 ")
(segid " " and resid "84 " and name "HG12")
2.800 1.000 1.000 peak 5352 weight 0.10000E+01 volume 0.73100E+00 ppm1 2.492 ppm2 1.169
OR { 5352}
(segid " " and resid "87 " and name "HG1 ")
(segid " " and resid "25 " and name "HB2 ")
OR { 5352}
(segid " " and resid "87 " and name "HG1 ")
(segid " " and resid "25 " and name "HB1 ")
ASSI { 5360}
(segid " " and resid "87 " and name "HG2 ")
(segid " " and resid "25 " and name "HA ")
3.300 1.400 1.400 peak 5360 weight 0.10000E+01 volume 0.23300E+00 ppm1 2.175 ppm2 5.298
OR { 5360}
(segid " " and resid "84 " and name "HB ")
(segid " " and resid "85 " and name "HA ")
ASSI { 5343}
(segid " " and resid "84 " and name "HB ")
(segid " " and resid "29 " and name "HE22")
3.900 1.900 1.900 peak 5343 weight 0.10000E+01 volume 0.10600E+00 ppm1 2.134 ppm2 6.943
OR { 5343}
(segid " " and resid "84 " and name "HB ")
(segid " " and resid "80 " and name "HD1 ")
OR { 5343}
(segid " " and resid "84 " and name "HB ")
(segid " " and resid "31 " and name "HE2 ")
ASSI { 5345}
(segid " " and resid "84 " and name "HB ")
(segid " " and resid "84 " and name "HG12")
2.100 0.600 0.600 peak 5345 weight 0.10000E+01 volume 0.15600E+01 ppm1 2.158 ppm2 1.187
OR { 5345}
(segid " " and resid "87 " and name "HG2 ")
(segid " " and resid "25 " and name "HB2 ")
OR { 5345}
(segid " " and resid "87 " and name "HG2 ")
(segid " " and resid "25 " and name "HB1 ")
ASSI { 6990}
(segid " " and resid "48 " and name "HB2 ")
(segid " " and resid "91 " and name "HD21")
3.800 1.800 1.800 peak 6990 weight 0.10000E+01 volume 0.13900E+00 ppm1 3.180 ppm2 0.766
OR { 6990}
(segid " " and resid "48 " and name "HB2 ")
(segid " " and resid "46 " and name "HG12")
OR { 6990}
(segid " " and resid "48 " and name "HB2 ")
(segid " " and resid "91 " and name "HD22")
OR { 6990}
(segid " " and resid "48 " and name "HB2 ")
(segid " " and resid "46 " and name "HG13")
OR { 6990}
(segid " " and resid "48 " and name "HB2 ")
(segid " " and resid "91 " and name "HD23")
OR { 6990}
(segid " " and resid "48 " and name "HB2 ")
(segid " " and resid "46 " and name "HG11")
OR { 6990}
(segid " " and resid "48 " and name "HB2 ")
(segid " " and resid "49 " and name "HG12")
OR { 6990}
(segid " " and resid "48 " and name "HB2 ")
(segid " " and resid "49 " and name "HG13")
ASSI { 6989}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "100 " and name "HG23")
3.200 1.300 1.300 peak 6989 weight 0.10000E+01 volume 0.21200E+00 ppm1 3.183 ppm2 0.993
OR { 6989}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "100 " and name "HG21")
OR { 6989}
(segid " " and resid "11 " and name "HE1 ")
(segid " " and resid "100 " and name "HG23")
OR { 6989}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "100 " and name "HG22")
OR { 6989}
(segid " " and resid "48 " and name "HB2 ")
(segid " " and resid "21 " and name "HB2 ")
ASSI { 7143}
(segid " " and resid "72 " and name "HB2 ")
(segid " " and resid "73 " and name "HD13")
3.500 1.500 1.500 peak 7143 weight 0.10000E+01 volume 0.19500E+00 ppm1 2.631 ppm2 0.777
OR { 7143}
(segid " " and resid "72 " and name "HB2 ")
(segid " " and resid "73 " and name "HD11")
OR { 7143}
(segid " " and resid "72 " and name "HB2 ")
(segid " " and resid "73 " and name "HD12")
OR { 7143}
(segid " " and resid "72 " and name "HB2 ")
(segid " " and resid "73 " and name "HD23")
OR { 7143}
(segid " " and resid "105 " and name "HB2 ")
(segid " " and resid "53 " and name "HD21")
OR { 7143}
(segid " " and resid "72 " and name "HB2 ")
(segid " " and resid "73 " and name "HD21")
OR { 7143}
(segid " " and resid "72 " and name "HB2 ")
(segid " " and resid "73 " and name "HD22")
OR { 7143}
(segid " " and resid "105 " and name "HB2 ")
(segid " " and resid "7 " and name "HG ")
ASSI { 7142}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "100 " and name "HG23")
3.300 1.400 1.400 peak 7142 weight 0.10000E+01 volume 0.27800E+00 ppm1 2.629 ppm2 1.047
OR { 7142}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "100 " and name "HG21")
OR { 7142}
(segid " " and resid "11 " and name "HE1 ")
(segid " " and resid "100 " and name "HG23")
OR { 7142}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "100 " and name "HG22")
OR { 7142}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "98 " and name "HG12")
ASSI { 7138}
(segid " " and resid "105 " and name "HB2 ")
(segid " " and resid "105 " and name "HE2 ")
3.400 1.400 1.400 peak 7138 weight 0.10000E+01 volume 0.23800E+00 ppm1 2.627 ppm2 6.827
OR { 7138}
(segid " " and resid "105 " and name "HB2 ")
(segid " " and resid "105 " and name "HE1 ")
OR { 7138}
(segid " " and resid "105 " and name "HB2 ")
(segid " " and resid "105 " and name "HZ ")
OR { 7138}
(segid " " and resid "105 " and name "HB2 ")
(segid " " and resid "37 " and name "HE ")
ASSI { 1502}
(segid " " and resid "79 " and name "HB2 ")
(segid " " and resid "79 " and name "HE1 ")
3.600 1.600 1.600 peak 1502 weight 0.10000E+01 volume 0.19700E+00 ppm1 2.008 ppm2 6.655
OR { 1502}
(segid " " and resid "79 " and name "HB2 ")
(segid " " and resid "38 " and name "HZ ")
OR { 1502}
(segid " " and resid "79 " and name "HB2 ")
(segid " " and resid "79 " and name "HE2 ")
ASSI { 7504}
(segid " " and resid "104 " and name "HB1 ")
(segid " " and resid "104 " and name "HA ")
2.700 0.900 0.900 peak 7504 weight 0.10000E+01 volume 0.83500E+00 ppm1 1.598 ppm2 4.309
OR { 7504}
(segid " " and resid "91 " and name "HB1 ")
(segid " " and resid "91 " and name "HA ")
ASSI { 7628}
(segid " " and resid "52 " and name "HE2 ")
(segid " " and resid "49 " and name "HG11")
3.000 1.100 1.100 peak 7628 weight 0.10000E+01 volume 0.55200E+00 ppm1 0.216 ppm2 0.691
OR { 7628}
(segid " " and resid "52 " and name "HE2 ")
(segid " " and resid "22 " and name "HG21")
OR { 7628}
(segid " " and resid "52 " and name "HE2 ")
(segid " " and resid "49 " and name "HG12")
OR { 7628}
(segid " " and resid "52 " and name "HE2 ")
(segid " " and resid "22 " and name "HG23")
ASSI { 5509}
(segid " " and resid "60 " and name "HB2 ")
(segid " " and resid "53 " and name "HD22")
2.800 1.000 1.000 peak 5509 weight 0.10000E+01 volume 0.92600E+00 ppm1 2.936 ppm2 0.754
OR { 5509}
(segid " " and resid "60 " and name "HB2 ")
(segid " " and resid "53 " and name "HD23")
OR { 5509}
(segid " " and resid "60 " and name "HB2 ")
(segid " " and resid "53 " and name "HD21")
OR { 5509}
(segid " " and resid "54 " and name "HE1 ")
(segid " " and resid "12 " and name "HD23")
ASSI { 5508}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "11 " and name "HG2 ")
1.900 0.500 0.500 peak 5508 weight 0.10000E+01 volume 0.24840E+01 ppm1 2.932 ppm2 1.266
OR { 5508}
(segid " " and resid "11 " and name "HE1 ")
(segid " " and resid "11 " and name "HD2 ")
OR { 5508}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "11 " and name "HD1 ")
OR { 5508}
(segid " " and resid "11 " and name "HE1 ")
(segid " " and resid "11 " and name "HG2 ")
OR { 5508}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "11 " and name "HD2 ")
OR { 5508}
(segid " " and resid "11 " and name "HE1 ")
(segid " " and resid "11 " and name "HD1 ")
OR { 5508}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "11 " and name "HG1 ")
OR { 5508}
(segid " " and resid "95 " and name "HE1 ")
(segid " " and resid "95 " and name "HG1 ")
ASSI { 4257}
(segid " " and resid "91 " and name "HB2 ")
(segid " " and resid "91 " and name "HA ")
2.600 0.800 0.800 peak 4257 weight 0.10000E+01 volume 0.11570E+01 ppm1 1.512 ppm2 4.369
OR { 4257}
(segid " " and resid "104 " and name "HB1 ")
(segid " " and resid "104 " and name "HA ")
OR { 4257}
(segid " " and resid "91 " and name "HB1 ")
(segid " " and resid "91 " and name "HA ")
ASSI { 5551}
(segid " " and resid "97 " and name "HB1 ")
(segid " " and resid "12 " and name "HD21")
2.800 1.000 1.000 peak 5551 weight 0.10000E+01 volume 0.95600E+00 ppm1 2.789 ppm2 0.722
OR { 5551}
(segid " " and resid "50 " and name "HB2 ")
(segid " " and resid "49 " and name "HG12")
OR { 5551}
(segid " " and resid "97 " and name "HB1 ")
(segid " " and resid "96 " and name "HG12")
OR { 5551}
(segid " " and resid "97 " and name "HB1 ")
(segid " " and resid "12 " and name "HD23")
OR { 5551}
(segid " " and resid "50 " and name "HB2 ")
(segid " " and resid "49 " and name "HG13")
OR { 5551}
(segid " " and resid "97 " and name "HB1 ")
(segid " " and resid "12 " and name "HD22")
ASSI { 5550}
(segid " " and resid "50 " and name "HB2 ")
(segid " " and resid "63 " and name "HA1 ")
2.500 0.800 0.800 peak 5550 weight 0.10000E+01 volume 0.13530E+01 ppm1 2.787 ppm2 5.080
OR { 5550}
(segid " " and resid "97 " and name "HB1 ")
(segid " " and resid "97 " and name "HA ")
ASSI { 4657}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "100 " and name "HA ")
3.000 1.100 1.100 peak 4657 weight 0.10000E+01 volume 0.47500E+00 ppm1 2.672 ppm2 4.514
OR { 4657}
(segid " " and resid "11 " and name "HE1 ")
(segid " " and resid "100 " and name "HA ")
OR { 4657}
(segid " " and resid "88 " and name "HB1 ")
(segid " " and resid "89 " and name "HA ")
ASSI { 4722}
(segid " " and resid "35 " and name "HB2 ")
(segid " " and resid "35 " and name "HN ")
2.800 1.000 1.000 peak 4722 weight 0.10000E+01 volume 0.70400E+00 ppm1 3.126 ppm2 7.361
OR { 4722}
(segid " " and resid "35 " and name "HB1 ")
(segid " " and resid "35 " and name "HN ")
OR { 4722}
(segid " " and resid "38 " and name "HB2 ")
(segid " " and resid "38 " and name "HD1 ")
OR { 4722}
(segid " " and resid "38 " and name "HB2 ")
(segid " " and resid "38 " and name "HD2 ")
ASSI { 7038}
(segid " " and resid "50 " and name "HB2 ")
(segid " " and resid "77 " and name "HD22")
3.700 1.700 1.700 peak 7038 weight 0.10000E+01 volume 0.16900E+00 ppm1 2.817 ppm2 0.320
OR { 7038}
(segid " " and resid "50 " and name "HB2 ")
(segid " " and resid "77 " and name "HD23")
OR { 7038}
(segid " " and resid "31 " and name "HB2 ")
(segid " " and resid "41 " and name "HD11")
OR { 7038}
(segid " " and resid "50 " and name "HB2 ")
(segid " " and resid "77 " and name "HD21")
ASSI { 5642}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "100 " and name "HB ")
3.000 1.100 1.100 peak 5642 weight 0.10000E+01 volume 0.35500E+00 ppm1 3.301 ppm2 4.602
OR { 5642}
(segid " " and resid "107 " and name "HB2 ")
(segid " " and resid "106 " and name "HA ")
OR { 5642}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "99 " and name "HA ")
OR { 5642}
(segid " " and resid "10 " and name "HD1 ")
(segid " " and resid "99 " and name "HA ")
ASSI { 5666}
(segid " " and resid "10 " and name "HD2 ")
(segid " " and resid "99 " and name "HA ")
2.700 0.900 0.900 peak 5666 weight 0.10000E+01 volume 0.67800E+00 ppm1 3.104 ppm2 4.612
OR { 5666}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "99 " and name "HA ")
OR { 5666}
(segid " " and resid "38 " and name "HB2 ")
(segid " " and resid "39 " and name "HA ")
OR { 5666}
(segid " " and resid "11 " and name "HE1 ")
(segid " " and resid "100 " and name "HB ")
ASSI { 3739}
(segid " " and resid "31 " and name "HB1 ")
(segid " " and resid "84 " and name "HD11")
2.800 1.000 1.000 peak 3739 weight 0.10000E+01 volume 0.79800E+00 ppm1 2.643 ppm2 0.677
OR { 3739}
(segid " " and resid "31 " and name "HB1 ")
(segid " " and resid "84 " and name "HD13")
OR { 3739}
(segid " " and resid "31 " and name "HB1 ")
(segid " " and resid "84 " and name "HD12")
OR { 3739}
(segid " " and resid "31 " and name "HB1 ")
(segid " " and resid "41 " and name "HG12")
ASSI { 3734}
(segid " " and resid "31 " and name "HB2 ")
(segid " " and resid "84 " and name "HG21")
2.900 1.100 1.100 peak 3734 weight 0.10000E+01 volume 0.46800E+00 ppm1 2.909 ppm2 0.783
OR { 3734}
(segid " " and resid "31 " and name "HB2 ")
(segid " " and resid "41 " and name "HG23")
OR { 3734}
(segid " " and resid "31 " and name "HB2 ")
(segid " " and resid "84 " and name "HG22")
OR { 3734}
(segid " " and resid "31 " and name "HB2 ")
(segid " " and resid "84 " and name "HG23")
OR { 3734}
(segid " " and resid "31 " and name "HB2 ")
(segid " " and resid "41 " and name "HG21")
OR { 3734}
(segid " " and resid "31 " and name "HB2 ")
(segid " " and resid "41 " and name "HG12")
ASSI { 3729}
(segid " " and resid "31 " and name "HB2 ")
(segid " " and resid "31 " and name "HD2 ")
2.800 1.000 1.000 peak 3729 weight 0.10000E+01 volume 0.81400E+00 ppm1 2.906 ppm2 7.403
OR { 3729}
(segid " " and resid "101 " and name "HB1 ")
(segid " " and resid "103 " and name "HN ")
ASSI { 3737}
(segid " " and resid "101 " and name "HB2 ")
(segid " " and resid "101 " and name "HA ")
2.300 0.700 0.700 peak 3737 weight 0.10000E+01 volume 0.21020E+01 ppm1 2.631 ppm2 4.953
OR { 3737}
(segid " " and resid "31 " and name "HB1 ")
(segid " " and resid "40 " and name "HA ")
ASSI { 4767}
(segid " " and resid "41 " and name "HB ")
(segid " " and resid "31 " and name "HD1 ")
3.200 1.300 1.300 peak 4767 weight 0.10000E+01 volume 0.37000E+00 ppm1 1.494 ppm2 7.402
OR { 4767}
(segid " " and resid "41 " and name "HB ")
(segid " " and resid "31 " and name "HD2 ")
OR { 4767}
(segid " " and resid "41 " and name "HB ")
(segid " " and resid "29 " and name "HN ")
ASSI { 4771}
(segid " " and resid "12 " and name "HB2 ")
(segid " " and resid "22 " and name "HD13")
3.100 1.200 1.200 peak 4771 weight 0.10000E+01 volume 0.44900E+00 ppm1 1.490 ppm2 0.500
OR { 4771}
(segid " " and resid "12 " and name "HB2 ")
(segid " " and resid "22 " and name "HD12")
OR { 4771}
(segid " " and resid "12 " and name "HB2 ")
(segid " " and resid "22 " and name "HD11")
OR { 4771}
(segid " " and resid "41 " and name "HB ")
(segid " " and resid "47 " and name "HG22")
ASSI { 4822}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "100 " and name "HA ")
2.600 0.800 0.800 peak 4822 weight 0.10000E+01 volume 0.99100E+00 ppm1 3.175 ppm2 4.542
OR { 4822}
(segid " " and resid "43 " and name "HD1 ")
(segid " " and resid "29 " and name "HA ")
OR { 4822}
(segid " " and resid "43 " and name "HD2 ")
(segid " " and resid "29 " and name "HA ")
ASSI { 5175}
(segid " " and resid "62 " and name "HA2 ")
(segid " " and resid "47 " and name "HG12")
4.400 2.400 1.600 peak 5175 weight 0.10000E+01 volume 0.13800E+00 ppm1 3.065 ppm2 0.523
OR { 5175}
(segid " " and resid "62 " and name "HA2 ")
(segid " " and resid "47 " and name "HG11")
OR { 5175}
(segid " " and resid "62 " and name "HA2 ")
(segid " " and resid "47 " and name "HG13")
OR { 5175}
(segid " " and resid "62 " and name "HA2 ")
(segid " " and resid "77 " and name "HD13")
OR { 5175}
(segid " " and resid "62 " and name "HA2 ")
(segid " " and resid "77 " and name "HD11")
OR { 5175}
(segid " " and resid "62 " and name "HA2 ")
(segid " " and resid "77 " and name "HD12")
ASSI { 5172}
(segid " " and resid "62 " and name "HA2 ")
(segid " " and resid "79 " and name "HD2 ")
3.700 1.700 1.700 peak 5172 weight 0.10000E+01 volume 0.37800E+00 ppm1 3.061 ppm2 6.941
OR { 5172}
(segid " " and resid "62 " and name "HA2 ")
(segid " " and resid "80 " and name "HE2 ")
OR { 5172}
(segid " " and resid "62 " and name "HA2 ")
(segid " " and resid "80 " and name "HD2 ")
ASSI { 4187}
(segid " " and resid "2 " and name "HA1 ")
(segid " " and resid "3 " and name "HG2 ")
3.400 1.400 1.400 peak 4187 weight 0.10000E+01 volume 0.21200E+00 ppm1 4.378 ppm2 1.891
OR { 4187}
(segid " " and resid "2 " and name "HA1 ")
(segid " " and resid "4 " and name "HB1 ")
OR { 4187}
(segid " " and resid "2 " and name "HA1 ")
(segid " " and resid "3 " and name "HB2 ")
ASSI { 4189}
(segid " " and resid "37 " and name "HD1 ")
(segid " " and resid "79 " and name "HE1 ")
3.500 1.500 1.500 peak 4189 weight 0.10000E+01 volume 0.33200E+00 ppm1 3.511 ppm2 6.693
OR { 4189}
(segid " " and resid "2 " and name "HA2 ")
(segid " " and resid "106 " and name "HE2 ")
ASSI { 3458}
(segid " " and resid "37 " and name "HD2 ")
(segid " " and resid "53 " and name "HD21")
3.300 1.400 1.400 peak 3458 weight 0.10000E+01 volume 0.13800E+00 ppm1 2.564 ppm2 0.879
OR { 3458}
(segid " " and resid "37 " and name "HD2 ")
(segid " " and resid "53 " and name "HD23")
OR { 3458}
(segid " " and resid "37 " and name "HD2 ")
(segid " " and resid "7 " and name "HG ")
OR { 3458}
(segid " " and resid "37 " and name "HD2 ")
(segid " " and resid "7 " and name "HB2 ")
ASSI { 5382}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "41 " and name "HB ")
3.500 1.500 1.500 peak 5382 weight 0.10000E+01 volume 0.36000E+00 ppm1 0.792 ppm2 1.405
OR { 5382}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "27 " and name "HB2 ")
OR { 5382}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "41 " and name "HB ")
OR { 5382}
(segid " " and resid "84 " and name "HG23")
(segid " " and resid "27 " and name "HB2 ")
OR { 5382}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "27 " and name "HB2 ")
OR { 5382}
(segid " " and resid "84 " and name "HG23")
(segid " " and resid "41 " and name "HB ")
OR { 5382}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "27 " and name "HB1 ")
OR { 5382}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "82 " and name "HB1 ")
OR { 5382}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "27 " and name "HB1 ")
OR { 5382}
(segid " " and resid "84 " and name "HG23")
(segid " " and resid "27 " and name "HB1 ")
ASSI { 5247}
(segid " " and resid "78 " and name "HA1 ")
(segid " " and resid "39 " and name "HG ")
3.100 1.200 1.200 peak 5247 weight 0.10000E+01 volume 0.34400E+00 ppm1 4.200 ppm2 1.588
OR { 5247}
(segid " " and resid "78 " and name "HA1 ")
(segid " " and resid "39 " and name "HB1 ")
OR { 5247}
(segid " " and resid "78 " and name "HA1 ")
(segid " " and resid "37 " and name "HB2 ")
ASSI { 5131}
(segid " " and resid "57 " and name "HA1 ")
(segid " " and resid "56 " and name "HG1 ")
3.800 1.800 1.800 peak 5131 weight 0.10000E+01 volume 0.20700E+00 ppm1 4.668 ppm2 1.729
OR { 5131}
(segid " " and resid "57 " and name "HA1 ")
(segid " " and resid "58 " and name "HG1 ")
OR { 5131}
(segid " " and resid "57 " and name "HA1 ")
(segid " " and resid "8 " and name "HB3 ")
OR { 5131}
(segid " " and resid "57 " and name "HA1 ")
(segid " " and resid "8 " and name "HB2 ")
ASSI { 5029}
(segid " " and resid "57 " and name "HA2 ")
(segid " " and resid "7 " and name "HB1 ")
3.400 1.400 1.400 peak 5029 weight 0.10000E+01 volume 0.19800E+00 ppm1 3.538 ppm2 1.089
OR { 5029}
(segid " " and resid "57 " and name "HA2 ")
(segid " " and resid "53 " and name "HB2 ")
ASSI { 5492}
(segid " " and resid "94 " and name "HA1 ")
(segid " " and resid "14 " and name "HB1 ")
3.200 1.300 1.300 peak 5492 weight 0.10000E+01 volume 0.51500E+00 ppm1 3.790 ppm2 1.265
OR { 5492}
(segid " " and resid "94 " and name "HA1 ")
(segid " " and resid "95 " and name "HG2 ")
OR { 5492}
(segid " " and resid "94 " and name "HA1 ")
(segid " " and resid "14 " and name "HB2 ")
OR { 5492}
(segid " " and resid "94 " and name "HA1 ")
(segid " " and resid "14 " and name "HB3 ")
ASSI { 5498}
(segid " " and resid "94 " and name "HA2 ")
(segid " " and resid "12 " and name "HB1 ")
3.100 1.200 1.200 peak 5498 weight 0.10000E+01 volume 0.51200E+00 ppm1 3.050 ppm2 1.283
OR { 5498}
(segid " " and resid "94 " and name "HA2 ")
(segid " " and resid "22 " and name "HB ")
OR { 5498}
(segid " " and resid "94 " and name "HA2 ")
(segid " " and resid "95 " and name "HG2 ")
OR { 5498}
(segid " " and resid "94 " and name "HA2 ")
(segid " " and resid "14 " and name "HB3 ")
ASSI { 5495}
(segid " " and resid "94 " and name "HA2 ")
(segid " " and resid "14 " and name "HA ")
3.200 1.300 1.300 peak 5495 weight 0.10000E+01 volume 0.77400E+00 ppm1 3.050 ppm2 4.519
OR { 5495}
(segid " " and resid "94 " and name "HA2 ")
(segid " " and resid "95 " and name "HA ")
ASSI { 5184}
(segid " " and resid "63 " and name "HA1 ")
(segid " " and resid "77 " and name "HD13")
3.900 1.900 1.900 peak 5184 weight 0.10000E+01 volume 0.30200E+00 ppm1 5.106 ppm2 0.496
OR { 5184}
(segid " " and resid "63 " and name "HA1 ")
(segid " " and resid "77 " and name "HD12")
OR { 5184}
(segid " " and resid "63 " and name "HA1 ")
(segid " " and resid "47 " and name "HG11")
OR { 5184}
(segid " " and resid "63 " and name "HA1 ")
(segid " " and resid "47 " and name "HG12")
OR { 5184}
(segid " " and resid "63 " and name "HA1 ")
(segid " " and resid "47 " and name "HG13")
ASSI { 5321}
(segid " " and resid "81 " and name "HD2 ")
(segid " " and resid "80 " and name "HD1 ")
3.000 1.100 1.100 peak 5321 weight 0.10000E+01 volume 0.57000E+00 ppm1 2.695 ppm2 6.936
OR { 5321}
(segid " " and resid "81 " and name "HD2 ")
(segid " " and resid "31 " and name "HE1 ")
OR { 5321}
(segid " " and resid "81 " and name "HD2 ")
(segid " " and resid "31 " and name "HE2 ")
ASSI { 5304}
(segid " " and resid "21 " and name "HD2 ")
(segid " " and resid "20 " and name "HD2 ")
3.300 1.400 1.400 peak 5304 weight 0.10000E+01 volume 0.33400E+00 ppm1 3.410 ppm2 7.384
OR { 5304}
(segid " " and resid "81 " and name "HD1 ")
(segid " " and resid "31 " and name "HD1 ")
OR { 5304}
(segid " " and resid "81 " and name "HD1 ")
(segid " " and resid "31 " and name "HD2 ")
ASSI { 4572}
(segid " " and resid "25 " and name "HA ")
(segid " " and resid "85 " and name "HB ")
3.200 1.300 1.300 peak 4572 weight 0.10000E+01 volume 0.30200E+00 ppm1 5.288 ppm2 1.821
OR { 4572}
(segid " " and resid "25 " and name "HA ")
(segid " " and resid "26 " and name "HB ")
OR { 4572}
(segid " " and resid "25 " and name "HA ")
(segid " " and resid "24 " and name "HE3 ")
ASSI { 4571}
(segid " " and resid "25 " and name "HA ")
(segid " " and resid "87 " and name "HG2 ")
2.900 1.100 1.100 peak 4571 weight 0.10000E+01 volume 0.59800E+00 ppm1 5.288 ppm2 2.117
OR { 4571}
(segid " " and resid "25 " and name "HA ")
(segid " " and resid "24 " and name "HG2 ")
OR { 4571}
(segid " " and resid "25 " and name "HA ")
(segid " " and resid "87 " and name "HB2 ")
ASSI { 5310}
(segid " " and resid "13 " and name "HB2 ")
(segid " " and resid "96 " and name "HG13")
3.300 1.400 1.400 peak 5310 weight 0.10000E+01 volume 0.30300E+00 ppm1 3.408 ppm2 0.787
OR { 5310}
(segid " " and resid "81 " and name "HD1 ")
(segid " " and resid "84 " and name "HG22")
OR { 5310}
(segid " " and resid "21 " and name "HD2 ")
(segid " " and resid "91 " and name "HD23")
OR { 5310}
(segid " " and resid "13 " and name "HB2 ")
(segid " " and resid "96 " and name "HG11")
OR { 5310}
(segid " " and resid "21 " and name "HD2 ")
(segid " " and resid "91 " and name "HD21")
OR { 5310}
(segid " " and resid "13 " and name "HB2 ")
(segid " " and resid "96 " and name "HG12")
OR { 5310}
(segid " " and resid "13 " and name "HB2 ")
(segid " " and resid "96 " and name "HG21")
OR { 5310}
(segid " " and resid "13 " and name "HB2 ")
(segid " " and resid "96 " and name "HG22")
ASSI { 5320}
(segid " " and resid "81 " and name "HD1 ")
(segid " " and resid "84 " and name "HD13")
3.200 1.300 1.300 peak 5320 weight 0.10000E+01 volume 0.38500E+00 ppm1 3.405 ppm2 0.682
OR { 5320}
(segid " " and resid "13 " and name "HB2 ")
(segid " " and resid "96 " and name "HG13")
OR { 5320}
(segid " " and resid "81 " and name "HD1 ")
(segid " " and resid "84 " and name "HD12")
OR { 5320}
(segid " " and resid "81 " and name "HD1 ")
(segid " " and resid "84 " and name "HD11")
OR { 5320}
(segid " " and resid "13 " and name "HB2 ")
(segid " " and resid "96 " and name "HG11")
OR { 5320}
(segid " " and resid "13 " and name "HB2 ")
(segid " " and resid "96 " and name "HG12")
ASSI { 1002}
(segid " " and resid "93 " and name "HD2 ")
(segid " " and resid "93 " and name "HA ")
3.100 1.200 1.200 peak 1002 weight 0.10000E+01 volume 0.36000E+00 ppm1 3.581 ppm2 4.145
OR { 1002}
(segid " " and resid "3 " and name "HD1 ")
(segid " " and resid "3 " and name "HA ")
ASSI { 6467}
(segid " " and resid "21 " and name "HD1 ")
(segid " " and resid "21 " and name "HB2 ")
2.800 1.000 1.000 peak 6467 weight 0.10000E+01 volume 0.31800E+00 ppm1 3.561 ppm2 1.014
OR { 6467}
(segid " " and resid "93 " and name "HD2 ")
(segid " " and resid "90 " and name "HG21")
ASSI { 953}
(segid " " and resid "93 " and name "HD1 ")
(segid " " and resid "93 " and name "HB2 ")
2.400 2.400 2.600 peak 953 weight 0.10000E+01 volume 0.74100E+00 ppm1 3.695 ppm2 1.758
OR { 953}
(segid " " and resid "93 " and name "HD1 ")
(segid " " and resid "92 " and name "HB1 ")
ASSI { 4377}
(segid " " and resid "81 " and name "HD1 ")
(segid " " and resid "84 " and name "HD13")
3.000 1.100 1.100 peak 4377 weight 0.10000E+01 volume 0.56800E+00 ppm1 3.369 ppm2 0.706
OR { 4377}
(segid " " and resid "13 " and name "HB2 ")
(segid " " and resid "96 " and name "HG13")
OR { 4377}
(segid " " and resid "81 " and name "HD1 ")
(segid " " and resid "84 " and name "HG22")
OR { 4377}
(segid " " and resid "81 " and name "HD1 ")
(segid " " and resid "84 " and name "HD12")
OR { 4377}
(segid " " and resid "81 " and name "HD1 ")
(segid " " and resid "84 " and name "HD11")
OR { 4377}
(segid " " and resid "13 " and name "HB2 ")
(segid " " and resid "96 " and name "HG11")
OR { 4377}
(segid " " and resid "13 " and name "HB2 ")
(segid " " and resid "96 " and name "HG12")
ASSI { 4376}
(segid " " and resid "13 " and name "HB2 ")
(segid " " and resid "98 " and name "HG23")
2.700 0.900 0.900 peak 4376 weight 0.10000E+01 volume 0.59700E+00 ppm1 3.370 ppm2 0.910
OR { 4376}
(segid " " and resid "21 " and name "HD2 ")
(segid " " and resid "21 " and name "HB2 ")
OR { 4376}
(segid " " and resid "13 " and name "HB2 ")
(segid " " and resid "98 " and name "HG22")
ASSI { 4256}
(segid " " and resid "5 " and name "HD2 ")
(segid " " and resid "5 " and name "HB2 ")
2.700 0.900 0.900 peak 4256 weight 0.10000E+01 volume 0.36200E+00 ppm1 3.277 ppm2 1.520
OR { 4256}
(segid " " and resid "13 " and name "HB2 ")
(segid " " and resid "96 " and name "HB ")
ASSI { 4253}
(segid " " and resid "5 " and name "HD2 ")
(segid " " and resid "4 " and name "HA ")
2.600 0.800 0.800 peak 4253 weight 0.10000E+01 volume 0.11140E+01 ppm1 3.275 ppm2 5.053
OR { 4253}
(segid " " and resid "13 " and name "HB2 ")
(segid " " and resid "13 " and name "HA ")
ASSI { 4687}
(segid " " and resid "33 " and name "HA ")
(segid " " and resid "34 " and name "HD2 ")
2.400 0.700 0.700 peak 4687 weight 0.10000E+01 volume 0.16920E+01 ppm1 4.034 ppm2 3.222
OR { 4687}
(segid " " and resid "33 " and name "HA ")
(segid " " and resid "38 " and name "HB2 ")
ASSI { 4684}
(segid " " and resid "33 " and name "HA ")
(segid " " and resid "38 " and name "HD2 ")
3.700 1.700 1.700 peak 4684 weight 0.10000E+01 volume 0.31900E+00 ppm1 4.035 ppm2 7.369
OR { 4684}
(segid " " and resid "33 " and name "HA ")
(segid " " and resid "35 " and name "HN ")
OR { 4684}
(segid " " and resid "33 " and name "HA ")
(segid " " and resid "31 " and name "HD1 ")
OR { 4684}
(segid " " and resid "33 " and name "HA ")
(segid " " and resid "38 " and name "HD1 ")
ASSI { 7630}
(segid " " and resid "52 " and name "HG1 ")
(segid " " and resid "52 " and name "HB2 ")
2.900 1.100 1.100 peak 7630 weight 0.10000E+01 volume 0.28700E+00 ppm1 0.377 ppm2 1.416
OR { 7630}
(segid " " and resid "77 " and name "HD21")
(segid " " and resid "77 " and name "HB1 ")
OR { 7630}
(segid " " and resid "77 " and name "HD23")
(segid " " and resid "77 " and name "HB1 ")
ASSI { 4217}
(segid " " and resid "101 " and name "HA ")
(segid " " and resid "101 " and name "HB2 ")
3.200 1.300 1.300 peak 4217 weight 0.10000E+01 volume 0.27700E+00 ppm1 5.052 ppm2 2.714
OR { 4217}
(segid " " and resid "4 " and name "HA ")
(segid " " and resid "4 " and name "HG1 ")
ASSI { 4219}
(segid " " and resid "4 " and name "HA ")
(segid " " and resid "4 " and name "HE2 ")
3.400 1.400 1.400 peak 4219 weight 0.10000E+01 volume 0.41600E+00 ppm1 5.050 ppm2 2.111
OR { 4219}
(segid " " and resid "4 " and name "HA ")
(segid " " and resid "4 " and name "HE1 ")
OR { 4219}
(segid " " and resid "4 " and name "HA ")
(segid " " and resid "3 " and name "HG1 ")
OR { 4219}
(segid " " and resid "4 " and name "HA ")
(segid " " and resid "4 " and name "HE3 ")
ASSI { 6755}
(segid " " and resid "34 " and name "HD1 ")
(segid " " and resid "34 " and name "HB2 ")
2.900 1.100 1.100 peak 6755 weight 0.10000E+01 volume 0.20600E+00 ppm1 3.785 ppm2 1.682
OR { 6755}
(segid " " and resid "34 " and name "HD1 ")
(segid " " and resid "32 " and name "HB2 ")
ASSI { 6763}
(segid " " and resid "34 " and name "HD2 ")
(segid " " and resid "31 " and name "HE1 ")
3.400 1.400 1.400 peak 6763 weight 0.10000E+01 volume 0.29800E+00 ppm1 3.234 ppm2 6.928
OR { 6763}
(segid " " and resid "34 " and name "HD2 ")
(segid " " and resid "38 " and name "HE2 ")
OR { 6763}
(segid " " and resid "34 " and name "HD2 ")
(segid " " and resid "38 " and name "HE1 ")
ASSI { 4609}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "41 " and name "HG21")
3.300 1.400 1.400 peak 4609 weight 0.10000E+01 volume 0.72700E+00 ppm1 4.559 ppm2 0.703
OR { 4609}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "41 " and name "HG23")
OR { 4609}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "84 " and name "HD12")
OR { 4609}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "41 " and name "HG22")
OR { 4609}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "28 " and name "HD23")
OR { 4609}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "28 " and name "HD22")
OR { 4609}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "28 " and name "HD21")
ASSI { 4608}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "26 " and name "HG22")
3.200 1.300 1.300 peak 4608 weight 0.10000E+01 volume 0.84800E+00 ppm1 4.557 ppm2 0.823
OR { 4608}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "28 " and name "HD11")
OR { 4608}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "26 " and name "HG21")
OR { 4608}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "26 " and name "HG23")
OR { 4608}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "85 " and name "HG23")
OR { 4608}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "28 " and name "HD23")
OR { 4608}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "28 " and name "HD22")
OR { 4608}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "28 " and name "HD21")
ASSI { 4449}
(segid " " and resid "20 " and name "HA ")
(segid " " and resid "21 " and name "HG1 ")
3.300 1.400 1.400 peak 4449 weight 0.10000E+01 volume 0.25300E+00 ppm1 4.974 ppm2 1.713
OR { 4449}
(segid " " and resid "20 " and name "HA ")
(segid " " and resid "92 " and name "HB1 ")
ASSI { 4992}
(segid " " and resid "7 " and name "HG ")
(segid " " and resid "7 " and name "HB1 ")
2.200 0.600 0.600 peak 4992 weight 0.10000E+01 volume 0.17980E+01 ppm1 0.794 ppm2 1.074
OR { 4992}
(segid " " and resid "53 " and name "HD22")
(segid " " and resid "53 " and name "HB2 ")
OR { 4992}
(segid " " and resid "53 " and name "HD23")
(segid " " and resid "53 " and name "HB2 ")
ASSI { 7433}
(segid " " and resid "13 " and name "HA ")
(segid " " and resid "12 " and name "HB2 ")
3.300 1.400 1.400 peak 7433 weight 0.10000E+01 volume 0.23900E+00 ppm1 5.078 ppm2 1.521
OR { 7433}
(segid " " and resid "97 " and name "HA ")
(segid " " and resid "96 " and name "HB ")
OR { 7433}
(segid " " and resid "13 " and name "HA ")
(segid " " and resid "96 " and name "HB ")
OR { 7433}
(segid " " and resid "97 " and name "HA ")
(segid " " and resid "12 " and name "HB2 ")
OR { 7433}
(segid " " and resid "13 " and name "HA ")
(segid " " and resid "11 " and name "HB2 ")
ASSI { 5549}
(segid " " and resid "13 " and name "HA ")
(segid " " and resid "12 " and name "HB1 ")
3.100 1.200 1.200 peak 5549 weight 0.10000E+01 volume 0.46200E+00 ppm1 5.071 ppm2 1.351
OR { 5549}
(segid " " and resid "13 " and name "HA ")
(segid " " and resid "14 " and name "HB3 ")
OR { 5549}
(segid " " and resid "13 " and name "HA ")
(segid " " and resid "14 " and name "HB1 ")
OR { 5549}
(segid " " and resid "97 " and name "HA ")
(segid " " and resid "12 " and name "HB1 ")
OR { 5549}
(segid " " and resid "97 " and name "HA ")
(segid " " and resid "12 " and name "HG ")
ASSI { 4647}
(segid " " and resid "29 " and name "HA ")
(segid " " and resid "29 " and name "HB2 ")
2.300 0.700 0.700 peak 4647 weight 0.10000E+01 volume 0.22300E+01 ppm1 4.543 ppm2 1.880
OR { 4647}
(segid " " and resid "92 " and name "HA ")
(segid " " and resid "92 " and name "HB1 ")
ASSI { 5548}
(segid " " and resid "97 " and name "HA ")
(segid " " and resid "96 " and name "HB ")
3.100 1.200 1.200 peak 5548 weight 0.10000E+01 volume 0.38200E+00 ppm1 5.074 ppm2 1.622
OR { 5548}
(segid " " and resid "13 " and name "HA ")
(segid " " and resid "96 " and name "HB ")
OR { 5548}
(segid " " and resid "13 " and name "HA ")
(segid " " and resid "11 " and name "HB2 ")
OR { 5548}
(segid " " and resid "13 " and name "HA ")
(segid " " and resid "52 " and name "HE1 ")
OR { 5548}
(segid " " and resid "97 " and name "HA ")
(segid " " and resid "10 " and name "HB2 ")
OR { 5548}
(segid " " and resid "13 " and name "HA ")
(segid " " and resid "11 " and name "HD2 ")
ASSI { 4380}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "96 " and name "HG23")
3.400 1.400 1.400 peak 4380 weight 0.10000E+01 volume 0.61500E+00 ppm1 4.516 ppm2 0.731
OR { 4380}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "96 " and name "HG21")
OR { 4380}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "22 " and name "HG22")
OR { 4380}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "96 " and name "HG22")
OR { 4380}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "22 " and name "HG21")
OR { 4380}
(segid " " and resid "72 " and name "HA ")
(segid " " and resid "73 " and name "HD11")
OR { 4380}
(segid " " and resid "72 " and name "HA ")
(segid " " and resid "73 " and name "HD12")
ASSI { 5463}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "94 " and name "HA1 ")
2.300 0.700 0.700 peak 5463 weight 0.10000E+01 volume 0.27850E+01 ppm1 4.615 ppm2 3.706
OR { 5463}
(segid " " and resid "92 " and name "HA ")
(segid " " and resid "93 " and name "HD1 ")
ASSI { 4651}
(segid " " and resid "30 " and name "HA ")
(segid " " and resid "43 " and name "HA ")
3.200 1.300 1.300 peak 4651 weight 0.10000E+01 volume 0.38100E+00 ppm1 4.835 ppm2 3.193
OR { 4651}
(segid " " and resid "86 " and name "HA ")
(segid " " and resid "86 " and name "HD1 ")
OR { 4651}
(segid " " and resid "86 " and name "HA ")
(segid " " and resid "86 " and name "HD2 ")
ASSI { 4547}
(segid " " and resid "11 " and name "HA ")
(segid " " and resid "12 " and name "HD12")
3.200 1.300 1.300 peak 4547 weight 0.10000E+01 volume 0.99700E+00 ppm1 4.900 ppm2 0.725
OR { 4547}
(segid " " and resid "24 " and name "HA ")
(segid " " and resid "91 " and name "HD21")
OR { 4547}
(segid " " and resid "24 " and name "HA ")
(segid " " and resid "91 " and name "HD22")
OR { 4547}
(segid " " and resid "30 " and name "HA ")
(segid " " and resid "41 " and name "HG23")
OR { 4547}
(segid " " and resid "11 " and name "HA ")
(segid " " and resid "12 " and name "HD21")
OR { 4547}
(segid " " and resid "24 " and name "HA ")
(segid " " and resid "91 " and name "HD23")
OR { 4547}
(segid " " and resid "30 " and name "HA ")
(segid " " and resid "41 " and name "HG22")
OR { 4547}
(segid " " and resid "24 " and name "HA ")
(segid " " and resid "46 " and name "HG11")
OR { 4547}
(segid " " and resid "30 " and name "HA ")
(segid " " and resid "41 " and name "HG21")
OR { 4547}
(segid " " and resid "24 " and name "HA ")
(segid " " and resid "91 " and name "HD12")
OR { 4547}
(segid " " and resid "11 " and name "HA ")
(segid " " and resid "12 " and name "HD23")
ASSI { 4179}
(segid " " and resid "1 " and name "HA ")
(segid " " and resid "107 " and name "HB2 ")
2.900 1.100 1.100 peak 4179 weight 0.10000E+01 volume 0.55400E+00 ppm1 4.077 ppm2 3.318
OR { 4179}
(segid " " and resid "1 " and name "HA ")
(segid " " and resid "36 " and name "HB2 ")
ASSI { 4178}
(segid " " and resid "1 " and name "HA ")
(segid " " and resid "107 " and name "HB1 ")
3.100 1.200 1.200 peak 4178 weight 0.10000E+01 volume 0.42800E+00 ppm1 4.077 ppm2 3.482
OR { 4178}
(segid " " and resid "1 " and name "HA ")
(segid " " and resid "2 " and name "HA2 ")
ASSI { 4623}
(segid " " and resid "28 " and name "HA ")
(segid " " and resid "28 " and name "HD11")
2.400 0.700 0.700 peak 4623 weight 0.10000E+01 volume 0.57310E+01 ppm1 4.272 ppm2 0.787
OR { 4623}
(segid " " and resid "28 " and name "HA ")
(segid " " and resid "28 " and name "HD13")
OR { 4623}
(segid " " and resid "28 " and name "HA ")
(segid " " and resid "28 " and name "HD12")
OR { 4623}
(segid " " and resid "73 " and name "HA ")
(segid " " and resid "73 " and name "HD21")
OR { 4623}
(segid " " and resid "73 " and name "HA ")
(segid " " and resid "73 " and name "HD22")
ASSI { 4622}
(segid " " and resid "73 " and name "HA ")
(segid " " and resid "73 " and name "HB2 ")
1.900 0.500 0.500 peak 4622 weight 0.10000E+01 volume 0.60430E+01 ppm1 4.275 ppm2 1.593
OR { 4622}
(segid " " and resid "28 " and name "HA ")
(segid " " and resid "28 " and name "HB1 ")
OR { 4622}
(segid " " and resid "28 " and name "HA ")
(segid " " and resid "28 " and name "HB2 ")
OR { 4622}
(segid " " and resid "73 " and name "HA ")
(segid " " and resid "73 " and name "HB1 ")
ASSI { 4402}
(segid " " and resid "16 " and name "HB1 ")
(segid " " and resid "16 " and name "HG2 ")
1.800 0.400 0.400 peak 4402 weight 0.10000E+01 volume 0.33630E+01 ppm1 2.170 ppm2 2.454
OR { 4402}
(segid " " and resid "16 " and name "HB2 ")
(segid " " and resid "16 " and name "HG1 ")
OR { 4402}
(segid " " and resid "17 " and name "HB1 ")
(segid " " and resid "17 " and name "HG1 ")
OR { 4402}
(segid " " and resid "16 " and name "HB2 ")
(segid " " and resid "16 " and name "HG2 ")
ASSI { 5252}
(segid " " and resid "80 " and name "HA ")
(segid " " and resid "81 " and name "HD1 ")
2.400 0.700 0.700 peak 5252 weight 0.10000E+01 volume 0.17840E+01 ppm1 5.252 ppm2 3.438
OR { 5252}
(segid " " and resid "80 " and name "HA ")
(segid " " and resid "80 " and name "HB1 ")
ASSI { 4148}
(segid " " and resid "80 " and name "HA ")
(segid " " and resid "31 " and name "HD1 ")
3.400 1.400 1.400 peak 4148 weight 0.10000E+01 volume 0.65000E+00 ppm1 5.253 ppm2 7.376
OR { 4148}
(segid " " and resid "10 " and name "HA ")
(segid " " and resid "54 " and name "HN ")
OR { 4148}
(segid " " and resid "80 " and name "HA ")
(segid " " and resid "38 " and name "HD1 ")
ASSI { 4147}
(segid " " and resid "80 " and name "HA ")
(segid " " and resid "31 " and name "HE1 ")
3.300 1.400 1.400 peak 4147 weight 0.10000E+01 volume 0.84000E+00 ppm1 5.253 ppm2 6.937
OR { 4147}
(segid " " and resid "80 " and name "HA ")
(segid " " and resid "80 " and name "HD2 ")
OR { 4147}
(segid " " and resid "80 " and name "HA ")
(segid " " and resid "80 " and name "HD1 ")
ASSI { 4423}
(segid " " and resid "76 " and name "HA ")
(segid " " and resid "76 " and name "HB1 ")
2.200 0.600 0.600 peak 4423 weight 0.10000E+01 volume 0.25130E+01 ppm1 4.382 ppm2 1.835
OR { 4423}
(segid " " and resid "76 " and name "HA ")
(segid " " and resid "76 " and name "HB2 ")
OR { 4423}
(segid " " and resid "17 " and name "HA ")
(segid " " and resid "17 " and name "HB2 ")
ASSI { 5441}
(segid " " and resid "89 " and name "HA ")
(segid " " and resid "90 " and name "HA ")
3.400 1.400 1.400 peak 5441 weight 0.10000E+01 volume 0.35900E+00 ppm1 4.529 ppm2 4.021
OR { 5441}
(segid " " and resid "95 " and name "HA ")
(segid " " and resid "96 " and name "HA ")
OR { 5441}
(segid " " and resid "89 " and name "HA ")
(segid " " and resid "90 " and name "HB ")
ASSI { 7837}
(segid " " and resid "105 " and name "HA ")
(segid " " and resid "106 " and name "HA ")
3.700 1.700 1.700 peak 7837 weight 0.10000E+01 volume 0.30900E+00 ppm1 4.948 ppm2 4.528
OR { 7837}
(segid " " and resid "23 " and name "HA ")
(segid " " and resid "89 " and name "HA ")
ASSI { 5222}
(segid " " and resid "76 " and name "HA ")
(segid " " and resid "76 " and name "HD1 ")
2.900 1.100 1.100 peak 5222 weight 0.10000E+01 volume 0.61300E+00 ppm1 4.307 ppm2 3.173
OR { 5222}
(segid " " and resid "28 " and name "HA ")
(segid " " and resid "43 " and name "HA ")
OR { 5222}
(segid " " and resid "76 " and name "HA ")
(segid " " and resid "76 " and name "HD2 ")
ASSI { 7836}
(segid " " and resid "105 " and name "HA ")
(segid " " and resid "79 " and name "HE1 ")
4.200 2.200 1.800 peak 7836 weight 0.10000E+01 volume 0.16800E+00 ppm1 4.950 ppm2 6.660
OR { 7836}
(segid " " and resid "23 " and name "HA ")
(segid " " and resid "89 " and name "HE22")
ASSI { 4930}
(segid " " and resid "51 " and name "HA ")
(segid " " and resid "11 " and name "HB2 ")
3.200 1.300 1.300 peak 4930 weight 0.10000E+01 volume 0.30000E+00 ppm1 5.493 ppm2 1.513
OR { 4930}
(segid " " and resid "51 " and name "HA ")
(segid " " and resid "11 " and name "HD2 ")
OR { 4930}
(segid " " and resid "51 " and name "HA ")
(segid " " and resid "12 " and name "HB2 ")
OR { 4930}
(segid " " and resid "51 " and name "HA ")
(segid " " and resid "52 " and name "HB2 ")
ASSI { 4542}
(segid " " and resid "23 " and name "HA ")
(segid " " and resid "91 " and name "HD21")
3.000 1.100 1.100 peak 4542 weight 0.10000E+01 volume 0.13050E+01 ppm1 4.931 ppm2 0.775
OR { 4542}
(segid " " and resid "23 " and name "HA ")
(segid " " and resid "22 " and name "HG23")
OR { 4542}
(segid " " and resid "23 " and name "HA ")
(segid " " and resid "91 " and name "HD12")
OR { 4542}
(segid " " and resid "23 " and name "HA ")
(segid " " and resid "91 " and name "HD23")
OR { 4542}
(segid " " and resid "23 " and name "HA ")
(segid " " and resid "22 " and name "HG22")
ASSI { 4537}
(segid " " and resid "105 " and name "HA ")
(segid " " and resid "104 " and name "HA ")
3.700 1.700 1.700 peak 4537 weight 0.10000E+01 volume 0.32800E+00 ppm1 4.923 ppm2 4.368
OR { 4537}
(segid " " and resid "23 " and name "HA ")
(segid " " and resid "22 " and name "HA ")
OR { 4537}
(segid " " and resid "23 " and name "HA ")
(segid " " and resid "91 " and name "HA ")
OR { 4537}
(segid " " and resid "105 " and name "HA ")
(segid " " and resid "37 " and name "HA ")
ASSI { 5189}
(segid " " and resid "64 " and name "HA ")
(segid " " and resid "47 " and name "HG13")
4.200 2.200 1.800 peak 5189 weight 0.10000E+01 volume 0.17400E+00 ppm1 5.232 ppm2 0.486
OR { 5189}
(segid " " and resid "64 " and name "HA ")
(segid " " and resid "47 " and name "HG12")
OR { 5189}
(segid " " and resid "64 " and name "HA ")
(segid " " and resid "77 " and name "HD13")
OR { 5189}
(segid " " and resid "64 " and name "HA ")
(segid " " and resid "77 " and name "HD12")
ASSI { 5187}
(segid " " and resid "64 " and name "HA ")
(segid " " and resid "74 " and name "HB2 ")
3.600 1.600 1.600 peak 5187 weight 0.10000E+01 volume 0.16700E+00 ppm1 5.227 ppm2 1.275
OR { 5187}
(segid " " and resid "64 " and name "HA ")
(segid " " and resid "77 " and name "HG ")
OR { 5187}
(segid " " and resid "64 " and name "HA ")
(segid " " and resid "74 " and name "HB3 ")
OR { 5187}
(segid " " and resid "64 " and name "HA ")
(segid " " and resid "74 " and name "HB1 ")
ASSI { 5185}
(segid " " and resid "64 " and name "HA ")
(segid " " and resid "77 " and name "HA ")
3.300 1.400 1.400 peak 5185 weight 0.10000E+01 volume 0.65900E+00 ppm1 5.231 ppm2 4.683
OR { 5185}
(segid " " and resid "64 " and name "HA ")
(segid " " and resid "63 " and name "HA2 ")
OR { 5185}
(segid " " and resid "64 " and name "HA ")
(segid " " and resid "65 " and name "HA ")
ASSI { 5143}
(segid " " and resid "66 " and name "HA ")
(segid " " and resid "66 " and name "HB2 ")
2.300 0.700 0.700 peak 5143 weight 0.10000E+01 volume 0.21540E+01 ppm1 4.416 ppm2 1.903
OR { 5143}
(segid " " and resid "53 " and name "HA ")
(segid " " and resid "53 " and name "HG ")
ASSI { 5139}
(segid " " and resid "66 " and name "HA ")
(segid " " and resid "66 " and name "HE22")
3.900 1.900 1.900 peak 5139 weight 0.10000E+01 volume 0.27300E+00 ppm1 4.417 ppm2 6.907
OR { 5139}
(segid " " and resid "66 " and name "HA ")
(segid " " and resid "48 " and name "HD2 ")
OR { 5139}
(segid " " and resid "66 " and name "HA ")
(segid " " and resid "48 " and name "HD1 ")
ASSI { 5614}
(segid " " and resid "104 " and name "HA ")
(segid " " and resid "104 " and name "HB1 ")
2.400 0.700 0.700 peak 5614 weight 0.10000E+01 volume 0.16460E+01 ppm1 4.299 ppm2 1.595
OR { 5614}
(segid " " and resid "53 " and name "HA ")
(segid " " and resid "11 " and name "HB1 ")
ASSI { 3725}
(segid " " and resid "38 " and name "HA ")
(segid " " and resid "79 " and name "HD1 ")
3.600 1.600 1.600 peak 3725 weight 0.10000E+01 volume 0.41400E+00 ppm1 5.394 ppm2 6.936
OR { 3725}
(segid " " and resid "38 " and name "HA ")
(segid " " and resid "38 " and name "HE1 ")
OR { 3725}
(segid " " and resid "38 " and name "HA ")
(segid " " and resid "31 " and name "HE1 ")
OR { 3725}
(segid " " and resid "38 " and name "HA ")
(segid " " and resid "38 " and name "HE2 ")
ASSI { 4826}
(segid " " and resid "45 " and name "HA ")
(segid " " and resid "41 " and name "HG22")
4.100 2.100 1.900 peak 4826 weight 0.10000E+01 volume 0.20500E+00 ppm1 4.257 ppm2 0.696
OR { 4826}
(segid " " and resid "58 " and name "HA ")
(segid " " and resid "59 " and name "HD21")
OR { 4826}
(segid " " and resid "45 " and name "HA ")
(segid " " and resid "41 " and name "HG23")
OR { 4826}
(segid " " and resid "45 " and name "HA ")
(segid " " and resid "41 " and name "HG21")
OR { 4826}
(segid " " and resid "45 " and name "HA ")
(segid " " and resid "46 " and name "HG12")
OR { 4826}
(segid " " and resid "45 " and name "HA ")
(segid " " and resid "46 " and name "HG11")
OR { 4826}
(segid " " and resid "45 " and name "HA ")
(segid " " and resid "46 " and name "HG13")
ASSI { 4825}
(segid " " and resid "45 " and name "HA ")
(segid " " and resid "46 " and name "HG22")
3.200 1.300 1.300 peak 4825 weight 0.10000E+01 volume 0.64000E+00 ppm1 4.255 ppm2 1.003
OR { 4825}
(segid " " and resid "58 " and name "HA ")
(segid " " and resid "53 " and name "HB2 ")
OR { 4825}
(segid " " and resid "45 " and name "HA ")
(segid " " and resid "46 " and name "HG23")
OR { 4825}
(segid " " and resid "45 " and name "HA ")
(segid " " and resid "46 " and name "HG21")
ASSI { 5600}
(segid " " and resid "103 " and name "HA ")
(segid " " and resid "103 " and name "HB2 ")
2.500 0.800 0.800 peak 5600 weight 0.10000E+01 volume 0.12710E+01 ppm1 4.358 ppm2 3.274
OR { 5600}
(segid " " and resid "56 " and name "HA ")
(segid " " and resid "56 " and name "HD1 ")
OR { 5600}
(segid " " and resid "56 " and name "HA ")
(segid " " and resid "56 " and name "HD2 ")
ASSI { 5647}
(segid " " and resid "45 " and name "HA ")
(segid " " and resid "45 " and name "HG2 ")
2.100 0.600 0.600 peak 5647 weight 0.10000E+01 volume 0.34990E+01 ppm1 4.249 ppm2 2.434
OR { 5647}
(segid " " and resid "108 " and name "HA ")
(segid " " and resid "108 " and name "HG2 ")
OR { 5647}
(segid " " and resid "108 " and name "HA ")
(segid " " and resid "108 " and name "HG1 ")
OR { 5647}
(segid " " and resid "45 " and name "HA ")
(segid " " and resid "45 " and name "HG1 ")
ASSI { 5031}
(segid " " and resid "58 " and name "HA ")
(segid " " and resid "58 " and name "HG2 ")
2.800 1.000 1.000 peak 5031 weight 0.10000E+01 volume 0.79500E+00 ppm1 4.299 ppm2 1.410
OR { 5031}
(segid " " and resid "103 " and name "HA ")
(segid " " and resid "102 " and name "HB2 ")
OR { 5031}
(segid " " and resid "45 " and name "HA ")
(segid " " and resid "27 " and name "HB3 ")
ASSI { 5646}
(segid " " and resid "87 " and name "HA ")
(segid " " and resid "61 " and name "HZ3 ")
3.900 1.900 1.900 peak 5646 weight 0.10000E+01 volume 0.28200E+00 ppm1 4.249 ppm2 6.799
OR { 5646}
(segid " " and resid "108 " and name "HA ")
(segid " " and resid "108 " and name "HE22")
OR { 5646}
(segid " " and resid "108 " and name "HA ")
(segid " " and resid "106 " and name "HD2 ")
ASSI { 5427}
(segid " " and resid "108 " and name "HA ")
(segid " " and resid "106 " and name "HE2 ")
3.600 1.600 1.600 peak 5427 weight 0.10000E+01 volume 0.47800E+00 ppm1 4.248 ppm2 6.695
OR { 5427}
(segid " " and resid "87 " and name "HA ")
(segid " " and resid "61 " and name "HZ3 ")
OR { 5427}
(segid " " and resid "108 " and name "HA ")
(segid " " and resid "108 " and name "HE22")
OR { 5427}
(segid " " and resid "108 " and name "HA ")
(segid " " and resid "106 " and name "HD2 ")
ASSI { 7144}
(segid " " and resid "69 " and name "HA ")
(segid " " and resid "70 " and name "HD1 ")
3.800 1.800 1.800 peak 7144 weight 0.10000E+01 volume 0.29100E+00 ppm1 4.489 ppm2 7.064
OR { 7144}
(segid " " and resid "69 " and name "HA ")
(segid " " and resid "70 " and name "HD2 ")
OR { 7144}
(segid " " and resid "106 " and name "HA ")
(segid " " and resid "105 " and name "HD1 ")
ASSI { 5399}
(segid " " and resid "85 " and name "HA ")
(segid " " and resid "28 " and name "HB2 ")
2.700 0.900 0.900 peak 5399 weight 0.10000E+01 volume 0.91200E+00 ppm1 5.342 ppm2 1.583
OR { 5399}
(segid " " and resid "85 " and name "HA ")
(segid " " and resid "86 " and name "HB2 ")
OR { 5399}
(segid " " and resid "85 " and name "HA ")
(segid " " and resid "84 " and name "HG11")
ASSI { 5401}
(segid " " and resid "85 " and name "HA ")
(segid " " and resid "84 " and name "HG12")
3.400 1.400 1.400 peak 5401 weight 0.10000E+01 volume 0.39100E+00 ppm1 5.339 ppm2 1.189
OR { 5401}
(segid " " and resid "85 " and name "HA ")
(segid " " and resid "25 " and name "HB3 ")
OR { 5401}
(segid " " and resid "85 " and name "HA ")
(segid " " and resid "25 " and name "HB2 ")
ASSI { 5430}
(segid " " and resid "87 " and name "HA ")
(segid " " and resid "85 " and name "HG21")
3.600 1.600 1.600 peak 5430 weight 0.10000E+01 volume 0.32600E+00 ppm1 4.230 ppm2 0.855
OR { 5430}
(segid " " and resid "87 " and name "HA ")
(segid " " and resid "26 " and name "HG13")
OR { 5430}
(segid " " and resid "58 " and name "HA ")
(segid " " and resid "53 " and name "HD22")
OR { 5430}
(segid " " and resid "58 " and name "HA ")
(segid " " and resid "59 " and name "HB1 ")
OR { 5430}
(segid " " and resid "58 " and name "HA ")
(segid " " and resid "53 " and name "HD11")
OR { 5430}
(segid " " and resid "87 " and name "HA ")
(segid " " and resid "85 " and name "HG23")
OR { 5430}
(segid " " and resid "58 " and name "HA ")
(segid " " and resid "59 " and name "HB2 ")
OR { 5430}
(segid " " and resid "58 " and name "HA ")
(segid " " and resid "53 " and name "HD23")
OR { 5430}
(segid " " and resid "87 " and name "HA ")
(segid " " and resid "85 " and name "HG22")
OR { 5430}
(segid " " and resid "87 " and name "HA ")
(segid " " and resid "26 " and name "HG12")
OR { 5430}
(segid " " and resid "87 " and name "HA ")
(segid " " and resid "26 " and name "HG11")
ASSI { 4399}
(segid " " and resid "16 " and name "HA ")
(segid " " and resid "96 " and name "HG13")
2.300 0.700 0.700 peak 4399 weight 0.10000E+01 volume 0.32190E+01 ppm1 3.911 ppm2 0.707
OR { 4399}
(segid " " and resid "102 " and name "HA ")
(segid " " and resid "102 " and name "HG1 ")
OR { 4399}
(segid " " and resid "16 " and name "HA ")
(segid " " and resid "96 " and name "HG12")
ASSI { 7473}
(segid " " and resid "102 " and name "HA ")
(segid " " and resid "103 " and name "HD1 ")
4.300 2.300 1.700 peak 7473 weight 0.10000E+01 volume 0.16500E+00 ppm1 4.002 ppm2 7.078
OR { 7473}
(segid " " and resid "102 " and name "HA ")
(segid " " and resid "105 " and name "HD1 ")
ASSI { 6839}
(segid " " and resid "41 " and name "HA ")
(segid " " and resid "40 " and name "HG23")
5.800 4.200 0.200 peak 6839 weight 0.10000E+01 volume 0.14000E-01 ppm1 4.399 ppm2 1.234
OR { 6839}
(segid " " and resid "50 " and name "HA ")
(segid " " and resid "22 " and name "HB ")
OR { 6839}
(segid " " and resid "41 " and name "HA ")
(segid " " and resid "40 " and name "HG21")
OR { 6839}
(segid " " and resid "41 " and name "HA ")
(segid " " and resid "40 " and name "HG22")
ASSI { 4861}
(segid " " and resid "47 " and name "HA ")
(segid " " and resid "46 " and name "HG12")
6.000 4.500 0.000 peak 4861 weight 0.10000E+01 volume 0.13000E-01 ppm1 4.559 ppm2 0.698
OR { 4861}
(segid " " and resid "50 " and name "HA ")
(segid " " and resid "49 " and name "HG13")
OR { 4861}
(segid " " and resid "50 " and name "HA ")
(segid " " and resid "49 " and name "HG12")
OR { 4861}
(segid " " and resid "47 " and name "HA ")
(segid " " and resid "46 " and name "HG13")
OR { 4861}
(segid " " and resid "47 " and name "HA ")
(segid " " and resid "46 " and name "HG11")
OR { 4861}
(segid " " and resid "50 " and name "HA ")
(segid " " and resid "49 " and name "HG11")
ASSI { 6202}
(segid " " and resid "82 " and name "HB2 ")
(segid " " and resid "61 " and name "HZ2 ")
4.000 2.000 2.000 peak 6202 weight 0.10000E+01 volume 0.95000E-01 ppm1 1.777 ppm2 7.547
OR { 6202}
(segid " " and resid "82 " and name "HB2 ")
(segid " " and resid "85 " and name "HN ")
OR { 6202}
(segid " " and resid "82 " and name "HB2 ")
(segid " " and resid "61 " and name "HD1 ")
ASSI { 6204}
(segid " " and resid "82 " and name "HB1 ")
(segid " " and resid "61 " and name "HZ2 ")
4.000 2.000 2.000 peak 6204 weight 0.10000E+01 volume 0.97000E-01 ppm1 1.395 ppm2 7.552
OR { 6204}
(segid " " and resid "82 " and name "HB1 ")
(segid " " and resid "85 " and name "HN ")
ASSI { 4906}
(segid " " and resid "100 " and name "HA ")
(segid " " and resid "11 " and name "HE2 ")
2.700 0.900 0.900 peak 4906 weight 0.10000E+01 volume 0.92500E+00 ppm1 4.483 ppm2 2.814
OR { 4906}
(segid " " and resid "50 " and name "HA ")
(segid " " and resid "50 " and name "HB2 ")
ASSI { 5556}
(segid " " and resid "98 " and name "HA ")
(segid " " and resid "99 " and name "HG1 ")
3.200 1.300 1.300 peak 5556 weight 0.10000E+01 volume 0.31000E+00 ppm1 4.431 ppm2 1.617
OR { 5556}
(segid " " and resid "100 " and name "HA ")
(segid " " and resid "11 " and name "HD1 ")
OR { 5556}
(segid " " and resid "100 " and name "HA ")
(segid " " and resid "104 " and name "HB1 ")
OR { 5556}
(segid " " and resid "98 " and name "HA ")
(segid " " and resid "99 " and name "HG2 ")
OR { 5556}
(segid " " and resid "100 " and name "HA ")
(segid " " and resid "11 " and name "HD2 ")
ASSI { 5338}
(segid " " and resid "84 " and name "HA ")
(segid " " and resid "84 " and name "HG11")
2.600 0.800 0.800 peak 5338 weight 0.10000E+01 volume 0.94800E+00 ppm1 4.336 ppm2 1.622
OR { 5338}
(segid " " and resid "84 " and name "HA ")
(segid " " and resid "28 " and name "HB2 ")
ASSI { 4501}
(segid " " and resid "22 " and name "HA ")
(segid " " and resid "22 " and name "HB ")
2.500 0.800 0.800 peak 4501 weight 0.10000E+01 volume 0.17770E+01 ppm1 4.346 ppm2 1.260
OR { 4501}
(segid " " and resid "22 " and name "HA ")
(segid " " and resid "14 " and name "HB1 ")
ASSI { 4500}
(segid " " and resid "22 " and name "HA ")
(segid " " and resid "91 " and name "HB1 ")
3.100 1.200 1.200 peak 4500 weight 0.10000E+01 volume 0.34500E+00 ppm1 4.345 ppm2 1.468
OR { 4500}
(segid " " and resid "22 " and name "HA ")
(segid " " and resid "21 " and name "HB1 ")
OR { 4500}
(segid " " and resid "22 " and name "HA ")
(segid " " and resid "91 " and name "HG ")
ASSI { 4499}
(segid " " and resid "22 " and name "HA ")
(segid " " and resid "91 " and name "HB1 ")
2.800 1.000 1.000 peak 4499 weight 0.10000E+01 volume 0.73900E+00 ppm1 4.348 ppm2 1.597
OR { 4499}
(segid " " and resid "22 " and name "HA ")
(segid " " and resid "92 " and name "HB2 ")
OR { 4499}
(segid " " and resid "22 " and name "HA ")
(segid " " and resid "21 " and name "HB1 ")
ASSI { 4498}
(segid " " and resid "22 " and name "HA ")
(segid " " and resid "22 " and name "HG11")
2.600 0.800 0.800 peak 4498 weight 0.10000E+01 volume 0.96700E+00 ppm1 4.345 ppm2 1.781
OR { 4498}
(segid " " and resid "22 " and name "HA ")
(segid " " and resid "92 " and name "HB1 ")
ASSI { 4224}
(segid " " and resid "5 " and name "HA ")
(segid " " and resid "5 " and name "HD1 ")
3.300 1.400 1.400 peak 4224 weight 0.10000E+01 volume 0.27800E+00 ppm1 4.228 ppm2 3.860
OR { 4224}
(segid " " and resid "93 " and name "HA ")
(segid " " and resid "94 " and name "HA1 ")
ASSI { 4466}
(segid " " and resid "21 " and name "HA ")
(segid " " and resid "91 " and name "HD21")
3.900 1.900 1.900 peak 4466 weight 0.10000E+01 volume 0.31000E+00 ppm1 3.513 ppm2 0.744
OR { 4466}
(segid " " and resid "21 " and name "HA ")
(segid " " and resid "91 " and name "HD23")
OR { 4466}
(segid " " and resid "21 " and name "HA ")
(segid " " and resid "49 " and name "HG13")
OR { 4466}
(segid " " and resid "21 " and name "HA ")
(segid " " and resid "91 " and name "HD22")
OR { 4466}
(segid " " and resid "21 " and name "HA ")
(segid " " and resid "49 " and name "HG11")
ASSI { 4462}
(segid " " and resid "21 " and name "HA ")
(segid " " and resid "22 " and name "HG11")
3.400 1.400 1.400 peak 4462 weight 0.10000E+01 volume 0.20700E+00 ppm1 3.512 ppm2 1.738
OR { 4462}
(segid " " and resid "21 " and name "HA ")
(segid " " and resid "21 " and name "HG1 ")
ASSI { 7398}
(segid " " and resid "93 " and name "HA ")
(segid " " and resid "95 " and name "HG2 ")
3.400 1.400 1.400 peak 7398 weight 0.10000E+01 volume 0.21600E+00 ppm1 4.162 ppm2 1.250
OR { 7398}
(segid " " and resid "5 " and name "HA ")
(segid " " and resid "6 " and name "HG2 ")
OR { 7398}
(segid " " and resid "93 " and name "HA ")
(segid " " and resid "92 " and name "HG2 ")
ASSI { 5471}
(segid " " and resid "93 " and name "HA ")
(segid " " and resid "93 " and name "HD2 ")
3.200 1.300 1.300 peak 5471 weight 0.10000E+01 volume 0.34900E+00 ppm1 4.162 ppm2 3.585
OR { 5471}
(segid " " and resid "3 " and name "HA ")
(segid " " and resid "3 " and name "HD1 ")
OR { 5471}
(segid " " and resid "3 " and name "HA ")
(segid " " and resid "2 " and name "HA2 ")
ASSI { 5470}
(segid " " and resid "93 " and name "HA ")
(segid " " and resid "93 " and name "HD1 ")
3.000 1.100 1.100 peak 5470 weight 0.10000E+01 volume 0.54200E+00 ppm1 4.164 ppm2 3.700
OR { 5470}
(segid " " and resid "93 " and name "HA ")
(segid " " and resid "94 " and name "HA1 ")
ASSI { 4194}
(segid " " and resid "3 " and name "HA ")
(segid " " and resid "3 " and name "HD2 ")
3.600 1.600 1.600 peak 4194 weight 0.10000E+01 volume 0.18300E+00 ppm1 4.108 ppm2 3.451
OR { 4194}
(segid " " and resid "3 " and name "HA ")
(segid " " and resid "2 " and name "HA2 ")
ASSI { 4885}
(segid " " and resid "49 " and name "HA ")
(segid " " and resid "47 " and name "HG11")
3.600 1.600 1.600 peak 4885 weight 0.10000E+01 volume 0.50300E+00 ppm1 4.375 ppm2 0.492
OR { 4885}
(segid " " and resid "49 " and name "HA ")
(segid " " and resid "47 " and name "HG12")
OR { 4885}
(segid " " and resid "49 " and name "HA ")
(segid " " and resid "47 " and name "HG13")
OR { 4885}
(segid " " and resid "49 " and name "HA ")
(segid " " and resid "22 " and name "HD13")
ASSI { 4705}
(segid " " and resid "34 " and name "HA ")
(segid " " and resid "34 " and name "HG2 ")
3.000 1.100 1.100 peak 4705 weight 0.10000E+01 volume 0.58900E+00 ppm1 4.237 ppm2 1.332
OR { 4705}
(segid " " and resid "34 " and name "HA ")
(segid " " and resid "33 " and name "HB1 ")
ASSI { 5200}
(segid " " and resid "64 " and name "HB2 ")
(segid " " and resid "39 " and name "HD12")
3.400 1.400 1.400 peak 5200 weight 0.10000E+01 volume 0.25800E+00 ppm1 3.830 ppm2 0.969
OR { 5200}
(segid " " and resid "64 " and name "HB1 ")
(segid " " and resid "39 " and name "HD23")
OR { 5200}
(segid " " and resid "64 " and name "HB1 ")
(segid " " and resid "39 " and name "HD22")
OR { 5200}
(segid " " and resid "64 " and name "HB2 ")
(segid " " and resid "39 " and name "HD23")
OR { 5200}
(segid " " and resid "64 " and name "HB1 ")
(segid " " and resid "39 " and name "HD13")
OR { 5200}
(segid " " and resid "64 " and name "HB2 ")
(segid " " and resid "39 " and name "HD13")
OR { 5200}
(segid " " and resid "64 " and name "HB2 ")
(segid " " and resid "39 " and name "HD22")
OR { 5200}
(segid " " and resid "64 " and name "HB2 ")
(segid " " and resid "39 " and name "HD11")
OR { 5200}
(segid " " and resid "64 " and name "HB1 ")
(segid " " and resid "39 " and name "HD11")
OR { 5200}
(segid " " and resid "64 " and name "HB2 ")
(segid " " and resid "65 " and name "HG11")
ASSI { 5197}
(segid " " and resid "64 " and name "HB2 ")
(segid " " and resid "77 " and name "HA ")
3.000 1.100 1.100 peak 5197 weight 0.10000E+01 volume 0.47000E+00 ppm1 3.773 ppm2 4.686
OR { 5197}
(segid " " and resid "64 " and name "HB1 ")
(segid " " and resid "65 " and name "HA ")
OR { 5197}
(segid " " and resid "64 " and name "HB1 ")
(segid " " and resid "77 " and name "HA ")
OR { 5197}
(segid " " and resid "64 " and name "HB1 ")
(segid " " and resid "63 " and name "HA2 ")
ASSI { 4936}
(segid " " and resid "51 " and name "HB1 ")
(segid " " and resid "53 " and name "HD13")
3.300 1.400 1.400 peak 4936 weight 0.10000E+01 volume 0.26800E+00 ppm1 3.953 ppm2 0.905
OR { 4936}
(segid " " and resid "51 " and name "HB1 ")
(segid " " and resid "53 " and name "HD11")
OR { 4936}
(segid " " and resid "51 " and name "HB1 ")
(segid " " and resid "98 " and name "HG23")
OR { 4936}
(segid " " and resid "51 " and name "HB1 ")
(segid " " and resid "53 " and name "HD12")
ASSI { 5453}
(segid " " and resid "90 " and name "HB ")
(segid " " and resid "22 " and name "HG23")
3.300 1.400 1.400 peak 5453 weight 0.10000E+01 volume 0.31300E+00 ppm1 4.007 ppm2 0.783
OR { 5453}
(segid " " and resid "90 " and name "HB ")
(segid " " and resid "91 " and name "HD12")
OR { 5453}
(segid " " and resid "90 " and name "HB ")
(segid " " and resid "22 " and name "HG22")
OR { 5453}
(segid " " and resid "90 " and name "HB ")
(segid " " and resid "22 " and name "HG21")
OR { 5453}
(segid " " and resid "90 " and name "HB ")
(segid " " and resid "91 " and name "HD13")
ASSI { 6764}
(segid " " and resid "34 " and name "HA ")
(segid " " and resid "34 " and name "HD2 ")
5.000 3.100 1.000 peak 6764 weight 0.10000E+01 volume -0.54500E+00 ppm1 6.932 ppm2 3.235
OR { 6764}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "34 " and name "HD2 ")
ASSI { 6749}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "34 " and name "HD1 ")
5.000 3.100 1.000 peak 6749 weight 0.10000E+01 volume -0.58200E+00 ppm1 6.930 ppm2 3.785
OR { 6749}
(segid " " and resid "34 " and name "HA ")
(segid " " and resid "34 " and name "HD1 ")
ASSI { 848}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "46 " and name "HB ")
2.900 1.100 1.100 peak 848 weight 0.10000E+01 volume 0.80900E+00 ppm1 6.684 ppm2 1.869
OR { 848}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "3 " and name "HB2 ")
ASSI { 6720}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "33 " and name "HB2 ")
3.300 1.400 1.400 peak 6720 weight 0.10000E+01 volume 0.10610E+01 ppm1 6.926 ppm2 1.322
OR { 6720}
(segid " " and resid "34 " and name "HA ")
(segid " " and resid "33 " and name "HB3 ")
OR { 6720}
(segid " " and resid "34 " and name "HA ")
(segid " " and resid "33 " and name "HB1 ")
OR { 6720}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "33 " and name "HB3 ")
OR { 6720}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "33 " and name "HB1 ")
ASSI { 6713}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "33 " and name "HA ")
5.000 3.100 1.000 peak 6713 weight 0.10000E+01 volume -0.76600E+00 ppm1 6.932 ppm2 4.057
OR { 6713}
(segid " " and resid "34 " and name "HA ")
(segid " " and resid "33 " and name "HA ")
ASSI { 7147}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "106 " and name "HA ")
5.000 3.100 1.000 peak 7147 weight 0.10000E+01 volume -0.93100E+00 ppm1 6.677 ppm2 4.487
OR { 7147}
(segid " " and resid "69 " and name "HE1 ")
(segid " " and resid "69 " and name "HA ")
OR { 7147}
(segid " " and resid "69 " and name "HE2 ")
(segid " " and resid "69 " and name "HA ")
ASSI { 7132}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "66 " and name "HB1 ")
3.200 1.300 1.300 peak 7132 weight 0.10000E+01 volume 0.46500E+00 ppm1 6.768 ppm2 2.194
OR { 7132}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "108 " and name "HB1 ")
OR { 7132}
(segid " " and resid "106 " and name "HE1 ")
(segid " " and resid "108 " and name "HB1 ")
OR { 7132}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "66 " and name "HB1 ")
ASSI { 7559}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "53 " and name "HD21")
3.100 1.200 1.200 peak 7559 weight 0.10000E+01 volume 0.82700E+00 ppm1 6.905 ppm2 0.791
OR { 7559}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "53 " and name "HD23")
OR { 7559}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "53 " and name "HD22")
OR { 7559}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "7 " and name "HG ")
ASSI { 7556}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "100 " and name "HG21")
3.400 1.400 1.400 peak 7556 weight 0.10000E+01 volume 0.12100E+01 ppm1 6.903 ppm2 0.910
OR { 7556}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "100 " and name "HG22")
OR { 7556}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "53 " and name "HD12")
OR { 7556}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "100 " and name "HG23")
OR { 7556}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "53 " and name "HD13")
ASSI { 6268}
(segid " " and resid "38 " and name "HE1 ")
(segid " " and resid "7 " and name "HD12")
3.200 1.300 1.300 peak 6268 weight 0.10000E+01 volume 0.12180E+01 ppm1 6.839 ppm2 0.530
OR { 6268}
(segid " " and resid "38 " and name "HE1 ")
(segid " " and resid "7 " and name "HD11")
OR { 6268}
(segid " " and resid "8 " and name "HA ")
(segid " " and resid "7 " and name "HD13")
OR { 6268}
(segid " " and resid "38 " and name "HE2 ")
(segid " " and resid "7 " and name "HD12")
OR { 6268}
(segid " " and resid "38 " and name "HE2 ")
(segid " " and resid "7 " and name "HD11")
OR { 6268}
(segid " " and resid "38 " and name "HE2 ")
(segid " " and resid "7 " and name "HD13")
ASSI { 7064}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "7 " and name "HG ")
3.100 1.200 1.200 peak 7064 weight 0.10000E+01 volume 0.79500E+00 ppm1 7.027 ppm2 0.817
OR { 7064}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "7 " and name "HG ")
OR { 7064}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "53 " and name "HD23")
OR { 7064}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "53 " and name "HD23")
OR { 7064}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "53 " and name "HD21")
OR { 7064}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "53 " and name "HD21")
ASSI { 7173}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "14 " and name "HB3 ")
3.900 1.900 1.900 peak 7173 weight 0.10000E+01 volume 0.48700E+00 ppm1 7.128 ppm2 1.263
OR { 7173}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "74 " and name "HB2 ")
OR { 7173}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "74 " and name "HB3 ")
OR { 7173}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "14 " and name "HB1 ")
OR { 7173}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "14 " and name "HB2 ")
OR { 7173}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "74 " and name "HB1 ")
ASSI { 7263}
(segid " " and resid "60 " and name "HE1 ")
(segid " " and resid "81 " and name "HG1 ")
3.000 1.100 1.100 peak 7263 weight 0.10000E+01 volume 0.61800E+00 ppm1 7.399 ppm2 1.920
OR { 7263}
(segid " " and resid "15 " and name "HA ")
(segid " " and resid "17 " and name "HB2 ")
OR { 7263}
(segid " " and resid "60 " and name "HE2 ")
(segid " " and resid "81 " and name "HG1 ")
ASSI { 6611}
(segid " " and resid "73 " and name "HG ")
(segid " " and resid "73 " and name "HD11")
2.600 0.800 0.800 peak 6611 weight 0.10000E+01 volume 0.13380E+01 ppm1 6.910 ppm2 0.780
OR { 6611}
(segid " " and resid "28 " and name "HG ")
(segid " " and resid "28 " and name "HD21")
OR { 6611}
(segid " " and resid "28 " and name "HG ")
(segid " " and resid "28 " and name "HD22")
OR { 6611}
(segid " " and resid "73 " and name "HG ")
(segid " " and resid "73 " and name "HD13")
OR { 6611}
(segid " " and resid "73 " and name "HG ")
(segid " " and resid "73 " and name "HD12")
OR { 6611}
(segid " " and resid "28 " and name "HG ")
(segid " " and resid "28 " and name "HD23")
ASSI { 7134}
(segid " " and resid "48 " and name "HD2 ")
(segid " " and resid "66 " and name "HG1 ")
5.000 3.100 1.000 peak 7134 weight 0.10000E+01 volume -0.63600E+00 ppm1 6.907 ppm2 2.395
OR { 7134}
(segid " " and resid "48 " and name "HD2 ")
(segid " " and resid "66 " and name "HG2 ")
OR { 7134}
(segid " " and resid "48 " and name "HD1 ")
(segid " " and resid "66 " and name "HG1 ")
OR { 7134}
(segid " " and resid "84 " and name "HG11")
(segid " " and resid "29 " and name "HG1 ")
OR { 7134}
(segid " " and resid "84 " and name "HG11")
(segid " " and resid "29 " and name "HG2 ")
OR { 7134}
(segid " " and resid "28 " and name "HG ")
(segid " " and resid "29 " and name "HG2 ")
ASSI { 7135}
(segid " " and resid "106 " and name "HD1 ")
(segid " " and resid "108 " and name "HG1 ")
5.000 3.100 1.000 peak 7135 weight 0.10000E+01 volume -0.12310E+01 ppm1 6.791 ppm2 2.436
OR { 7135}
(segid " " and resid "106 " and name "HD2 ")
(segid " " and resid "108 " and name "HG1 ")
OR { 7135}
(segid " " and resid "106 " and name "HD2 ")
(segid " " and resid "108 " and name "HG2 ")
OR { 7135}
(segid " " and resid "28 " and name "HG ")
(segid " " and resid "29 " and name "HG2 ")
OR { 7135}
(segid " " and resid "43 " and name "HG1 ")
(segid " " and resid "29 " and name "HG1 ")
ASSI { 7176}
(segid " " and resid "69 " and name "HD2 ")
(segid " " and resid "74 " and name "HB1 ")
3.000 1.100 1.100 peak 7176 weight 0.10000E+01 volume 0.85600E+00 ppm1 6.842 ppm2 1.270
OR { 7176}
(segid " " and resid "76 " and name "HG1 ")
(segid " " and resid "75 " and name "HB1 ")
OR { 7176}
(segid " " and resid "76 " and name "HG2 ")
(segid " " and resid "75 " and name "HB2 ")
OR { 7176}
(segid " " and resid "69 " and name "HD2 ")
(segid " " and resid "74 " and name "HB3 ")
OR { 7176}
(segid " " and resid "76 " and name "HG2 ")
(segid " " and resid "75 " and name "HB1 ")
OR { 7176}
(segid " " and resid "76 " and name "HG1 ")
(segid " " and resid "75 " and name "HB3 ")
OR { 7176}
(segid " " and resid "69 " and name "HD1 ")
(segid " " and resid "74 " and name "HB1 ")
OR { 7176}
(segid " " and resid "76 " and name "HG2 ")
(segid " " and resid "75 " and name "HB3 ")
OR { 7176}
(segid " " and resid "69 " and name "HD1 ")
(segid " " and resid "74 " and name "HB3 ")
ASSI { 7519}
(segid " " and resid "41 " and name "HG11")
(segid " " and resid "45 " and name "HB1 ")
2.900 1.100 1.100 peak 7519 weight 0.10000E+01 volume 0.33100E+00 ppm1 6.790 ppm2 2.221
OR { 7519}
(segid " " and resid "106 " and name "HD2 ")
(segid " " and resid "108 " and name "HB1 ")
ASSI { 6599}
(segid " " and resid "93 " and name "HG1 ")
(segid " " and resid "93 " and name "HB2 ")
2.600 0.800 0.800 peak 6599 weight 0.10000E+01 volume 0.53900E+00 ppm1 7.355 ppm2 1.715
OR { 6599}
(segid " " and resid "86 " and name "HA ")
(segid " " and resid "86 " and name "HB2 ")
ASSI { 6712}
(segid " " and resid "38 " and name "HD2 ")
(segid " " and resid "33 " and name "HA ")
5.000 3.100 1.000 peak 6712 weight 0.10000E+01 volume -0.57400E+00 ppm1 7.360 ppm2 4.019
OR { 6712}
(segid " " and resid "39 " and name "HA ")
(segid " " and resid "33 " and name "HA ")
OR { 6712}
(segid " " and resid "38 " and name "HD1 ")
(segid " " and resid "33 " and name "HA ")
ASSI { 6354}
(segid " " and resid "86 " and name "HA ")
(segid " " and resid "86 " and name "HG2 ")
2.800 1.000 1.000 peak 6354 weight 0.10000E+01 volume 0.51900E+00 ppm1 7.351 ppm2 1.324
OR { 6354}
(segid " " and resid "77 " and name "HA ")
(segid " " and resid "77 " and name "HG ")
ASSI { 6278}
(segid " " and resid "38 " and name "HD1 ")
(segid " " and resid "7 " and name "HD22")
3.800 1.800 1.800 peak 6278 weight 0.10000E+01 volume 0.33300E+00 ppm1 7.343 ppm2 -0.065
OR { 6278}
(segid " " and resid "38 " and name "HD1 ")
(segid " " and resid "7 " and name "HD21")
OR { 6278}
(segid " " and resid "38 " and name "HD1 ")
(segid " " and resid "7 " and name "HD23")
OR { 6278}
(segid " " and resid "5 " and name "HG1 ")
(segid " " and resid "7 " and name "HD23")
OR { 6278}
(segid " " and resid "38 " and name "HD2 ")
(segid " " and resid "7 " and name "HD21")
OR { 6278}
(segid " " and resid "38 " and name "HD2 ")
(segid " " and resid "7 " and name "HD23")
ASSI { 7353}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "87 " and name "HG2 ")
5.000 3.100 1.000 peak 7353 weight 0.10000E+01 volume -0.33000E+00 ppm1 0.850 ppm2 2.151
OR { 7353}
(segid " " and resid "85 " and name "HG22")
(segid " " and resid "87 " and name "HG2 ")
OR { 7353}
(segid " " and resid "85 " and name "HG23")
(segid " " and resid "84 " and name "HB ")
OR { 7353}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "84 " and name "HB ")
ASSI { 6593}
(segid " " and resid "75 " and name "HB1 ")
(segid " " and resid "76 " and name "HA ")
5.000 3.100 1.000 peak 6593 weight 0.10000E+01 volume -0.53400E+00 ppm1 1.257 ppm2 4.254
OR { 6593}
(segid " " and resid "74 " and name "HB1 ")
(segid " " and resid "73 " and name "HA ")
OR { 6593}
(segid " " and resid "74 " and name "HB2 ")
(segid " " and resid "73 " and name "HA ")
OR { 6593}
(segid " " and resid "74 " and name "HB3 ")
(segid " " and resid "73 " and name "HA ")
ASSI { 7139}
(segid " " and resid "75 " and name "HB1 ")
(segid " " and resid "72 " and name "HB2 ")
5.000 3.100 1.000 peak 7139 weight 0.10000E+01 volume -0.85500E+00 ppm1 1.272 ppm2 2.637
OR { 7139}
(segid " " and resid "75 " and name "HB3 ")
(segid " " and resid "72 " and name "HB2 ")
OR { 7139}
(segid " " and resid "74 " and name "HB1 ")
(segid " " and resid "68 " and name "HB2 ")
OR { 7139}
(segid " " and resid "74 " and name "HB2 ")
(segid " " and resid "68 " and name "HB2 ")
OR { 7139}
(segid " " and resid "74 " and name "HB1 ")
(segid " " and resid "68 " and name "HB1 ")
OR { 7139}
(segid " " and resid "74 " and name "HB3 ")
(segid " " and resid "68 " and name "HB2 ")
ASSI { 7434}
(segid " " and resid "14 " and name "HB3 ")
(segid " " and resid "13 " and name "HA ")
6.000 4.500 0.000 peak 7434 weight 0.10000E+01 volume -0.23800E+00 ppm1 1.259 ppm2 5.062
OR { 7434}
(segid " " and resid "14 " and name "HB1 ")
(segid " " and resid "13 " and name "HA ")
OR { 7434}
(segid " " and resid "14 " and name "HB2 ")
(segid " " and resid "13 " and name "HA ")
OR { 7434}
(segid " " and resid "14 " and name "HB1 ")
(segid " " and resid "20 " and name "HA ")
ASSI { 6802}
(segid " " and resid "33 " and name "HB2 ")
(segid " " and resid "31 " and name "HD1 ")
3.700 1.700 1.700 peak 6802 weight 0.10000E+01 volume 0.71300E+00 ppm1 1.318 ppm2 7.378
OR { 6802}
(segid " " and resid "33 " and name "HB3 ")
(segid " " and resid "38 " and name "HD1 ")
OR { 6802}
(segid " " and resid "33 " and name "HB1 ")
(segid " " and resid "31 " and name "HD1 ")
OR { 6802}
(segid " " and resid "33 " and name "HB1 ")
(segid " " and resid "38 " and name "HD2 ")
OR { 6802}
(segid " " and resid "33 " and name "HB2 ")
(segid " " and resid "38 " and name "HD1 ")
ASSI { 6850}
(segid " " and resid "47 " and name "HG23")
(segid " " and resid "41 " and name "HB ")
5.000 3.100 1.000 peak 6850 weight 0.10000E+01 volume -0.36600E+00 ppm1 0.486 ppm2 1.520
OR { 6850}
(segid " " and resid "47 " and name "HG22")
(segid " " and resid "41 " and name "HB ")
OR { 6850}
(segid " " and resid "85 " and name "HG12")
(segid " " and resid "41 " and name "HB ")
OR { 6850}
(segid " " and resid "47 " and name "HG21")
(segid " " and resid "41 " and name "HB ")
OR { 6850}
(segid " " and resid "85 " and name "HG11")
(segid " " and resid "41 " and name "HB ")
OR { 6850}
(segid " " and resid "85 " and name "HG13")
(segid " " and resid "41 " and name "HB ")
OR { 6850}
(segid " " and resid "47 " and name "HG11")
(segid " " and resid "41 " and name "HB ")
ASSI { 6561}
(segid " " and resid "47 " and name "HG21")
(segid " " and resid "26 " and name "HA ")
3.600 1.600 1.600 peak 6561 weight 0.10000E+01 volume 0.46300E+00 ppm1 0.485 ppm2 4.835
OR { 6561}
(segid " " and resid "85 " and name "HG12")
(segid " " and resid "26 " and name "HA ")
OR { 6561}
(segid " " and resid "47 " and name "HG23")
(segid " " and resid "26 " and name "HA ")
OR { 6561}
(segid " " and resid "47 " and name "HG22")
(segid " " and resid "26 " and name "HA ")
ASSI { 6544}
(segid " " and resid "85 " and name "HG13")
(segid " " and resid "25 " and name "HA ")
5.000 3.100 1.000 peak 6544 weight 0.10000E+01 volume -0.33400E+00 ppm1 0.491 ppm2 5.288
OR { 6544}
(segid " " and resid "85 " and name "HG12")
(segid " " and resid "25 " and name "HA ")
OR { 6544}
(segid " " and resid "47 " and name "HG21")
(segid " " and resid "25 " and name "HA ")
OR { 6544}
(segid " " and resid "85 " and name "HG11")
(segid " " and resid "25 " and name "HA ")
OR { 6544}
(segid " " and resid "47 " and name "HG11")
(segid " " and resid "25 " and name "HA ")
OR { 6544}
(segid " " and resid "47 " and name "HG22")
(segid " " and resid "25 " and name "HA ")
ASSI { 6412}
(segid " " and resid "98 " and name "HG22")
(segid " " and resid "16 " and name "HB2 ")
3.000 1.100 1.100 peak 6412 weight 0.10000E+01 volume 0.65500E+00 ppm1 0.905 ppm2 2.142
OR { 6412}
(segid " " and resid "98 " and name "HG22")
(segid " " and resid "16 " and name "HB1 ")
OR { 6412}
(segid " " and resid "98 " and name "HG21")
(segid " " and resid "16 " and name "HB2 ")
OR { 6412}
(segid " " and resid "98 " and name "HG23")
(segid " " and resid "16 " and name "HB2 ")
OR { 6412}
(segid " " and resid "98 " and name "HG21")
(segid " " and resid "16 " and name "HB1 ")
OR { 6412}
(segid " " and resid "98 " and name "HG23")
(segid " " and resid "11 " and name "HD2 ")
ASSI { 4950}
(segid " " and resid "65 " and name "HG22")
(segid " " and resid "66 " and name "HA ")
5.000 3.100 1.000 peak 4950 weight 0.10000E+01 volume -0.77800E+00 ppm1 1.035 ppm2 4.416
OR { 4950}
(segid " " and resid "90 " and name "HG21")
(segid " " and resid "91 " and name "HA ")
OR { 4950}
(segid " " and resid "90 " and name "HG22")
(segid " " and resid "91 " and name "HA ")
OR { 4950}
(segid " " and resid "65 " and name "HG21")
(segid " " and resid "66 " and name "HA ")
OR { 4950}
(segid " " and resid "90 " and name "HG23")
(segid " " and resid "91 " and name "HA ")
ASSI { 6586}
(segid " " and resid "28 " and name "HD11")
(segid " " and resid "27 " and name "HB3 ")
4.200 2.200 1.800 peak 6586 weight 0.10000E+01 volume 0.29400E+00 ppm1 0.865 ppm2 1.396
OR { 6586}
(segid " " and resid "28 " and name "HD13")
(segid " " and resid "27 " and name "HB1 ")
OR { 6586}
(segid " " and resid "28 " and name "HD11")
(segid " " and resid "27 " and name "HB2 ")
OR { 6586}
(segid " " and resid "28 " and name "HD11")
(segid " " and resid "27 " and name "HB1 ")
OR { 6586}
(segid " " and resid "26 " and name "HG11")
(segid " " and resid "27 " and name "HB3 ")
OR { 6586}
(segid " " and resid "28 " and name "HD12")
(segid " " and resid "27 " and name "HB2 ")
OR { 6586}
(segid " " and resid "28 " and name "HD12")
(segid " " and resid "27 " and name "HB1 ")
OR { 6586}
(segid " " and resid "26 " and name "HG13")
(segid " " and resid "27 " and name "HB3 ")
OR { 6586}
(segid " " and resid "26 " and name "HG12")
(segid " " and resid "27 " and name "HB3 ")
OR { 6586}
(segid " " and resid "26 " and name "HG13")
(segid " " and resid "27 " and name "HB2 ")
ASSI { 6405}
(segid " " and resid "96 " and name "HG23")
(segid " " and resid "15 " and name "HB1 ")
5.000 3.100 1.000 peak 6405 weight 0.10000E+01 volume -0.95700E+00 ppm1 0.699 ppm2 2.954
OR { 6405}
(segid " " and resid "49 " and name "HG13")
(segid " " and resid "50 " and name "HB1 ")
OR { 6405}
(segid " " and resid "96 " and name "HG13")
(segid " " and resid "15 " and name "HB1 ")
OR { 6405}
(segid " " and resid "96 " and name "HG22")
(segid " " and resid "15 " and name "HB1 ")
OR { 6405}
(segid " " and resid "96 " and name "HG21")
(segid " " and resid "15 " and name "HB1 ")
OR { 6405}
(segid " " and resid "96 " and name "HG12")
(segid " " and resid "15 " and name "HB1 ")
ASSI { 6404}
(segid " " and resid "49 " and name "HG13")
(segid " " and resid "50 " and name "HB2 ")
5.000 3.100 1.000 peak 6404 weight 0.10000E+01 volume -0.81100E+00 ppm1 0.699 ppm2 2.784
OR { 6404}
(segid " " and resid "96 " and name "HG23")
(segid " " and resid "15 " and name "HB2 ")
OR { 6404}
(segid " " and resid "96 " and name "HG13")
(segid " " and resid "15 " and name "HB2 ")
OR { 6404}
(segid " " and resid "96 " and name "HG22")
(segid " " and resid "15 " and name "HB2 ")
OR { 6404}
(segid " " and resid "96 " and name "HG21")
(segid " " and resid "15 " and name "HB2 ")
ASSI { 6912}
(segid " " and resid "28 " and name "HD11")
(segid " " and resid "44 " and name "HA2 ")
5.000 3.100 1.000 peak 6912 weight 0.10000E+01 volume -0.31900E+00 ppm1 0.864 ppm2 3.517
OR { 6912}
(segid " " and resid "26 " and name "HG11")
(segid " " and resid "44 " and name "HA2 ")
OR { 6912}
(segid " " and resid "26 " and name "HG12")
(segid " " and resid "44 " and name "HA2 ")
OR { 6912}
(segid " " and resid "28 " and name "HD13")
(segid " " and resid "44 " and name "HA2 ")
OR { 6912}
(segid " " and resid "26 " and name "HG13")
(segid " " and resid "44 " and name "HA2 ")
OR { 6912}
(segid " " and resid "28 " and name "HD12")
(segid " " and resid "44 " and name "HA2 ")
ASSI { 7440}
(segid " " and resid "49 " and name "HG13")
(segid " " and resid "50 " and name "HA ")
3.400 1.400 1.400 peak 7440 weight 0.10000E+01 volume 0.57800E+00 ppm1 0.704 ppm2 4.431
OR { 7440}
(segid " " and resid "49 " and name "HG12")
(segid " " and resid "50 " and name "HA ")
OR { 7440}
(segid " " and resid "96 " and name "HG12")
(segid " " and resid "98 " and name "HA ")
OR { 7440}
(segid " " and resid "49 " and name "HG11")
(segid " " and resid "50 " and name "HA ")
ASSI { 6939}
(segid " " and resid "46 " and name "HG22")
(segid " " and resid "45 " and name "HG2 ")
5.000 3.100 1.000 peak 6939 weight 0.10000E+01 volume -0.49600E+00 ppm1 1.053 ppm2 2.471
OR { 6939}
(segid " " and resid "46 " and name "HG22")
(segid " " and resid "45 " and name "HG1 ")
OR { 6939}
(segid " " and resid "46 " and name "HG23")
(segid " " and resid "45 " and name "HG2 ")
OR { 6939}
(segid " " and resid "46 " and name "HG21")
(segid " " and resid "45 " and name "HG2 ")
OR { 6939}
(segid " " and resid "46 " and name "HG23")
(segid " " and resid "45 " and name "HG1 ")
OR { 6939}
(segid " " and resid "46 " and name "HG21")
(segid " " and resid "45 " and name "HG1 ")
OR { 6939}
(segid " " and resid "65 " and name "HG13")
(segid " " and resid "45 " and name "HG1 ")
OR { 6939}
(segid " " and resid "65 " and name "HG13")
(segid " " and resid "45 " and name "HG2 ")
ASSI { 6983}
(segid " " and resid "49 " and name "HG22")
(segid " " and resid "47 " and name "HG11")
2.900 1.100 1.100 peak 6983 weight 0.10000E+01 volume 0.29400E+01 ppm1 1.056 ppm2 0.475
OR { 6983}
(segid " " and resid "49 " and name "HG22")
(segid " " and resid "47 " and name "HG12")
OR { 6983}
(segid " " and resid "65 " and name "HG13")
(segid " " and resid "47 " and name "HG13")
OR { 6983}
(segid " " and resid "49 " and name "HG22")
(segid " " and resid "85 " and name "HG13")
OR { 6983}
(segid " " and resid "49 " and name "HG23")
(segid " " and resid "85 " and name "HG13")
OR { 6983}
(segid " " and resid "65 " and name "HG11")
(segid " " and resid "47 " and name "HG13")
OR { 6983}
(segid " " and resid "65 " and name "HG12")
(segid " " and resid "47 " and name "HG13")
OR { 6983}
(segid " " and resid "49 " and name "HG21")
(segid " " and resid "85 " and name "HG13")
OR { 6983}
(segid " " and resid "49 " and name "HG21")
(segid " " and resid "47 " and name "HG11")
OR { 6983}
(segid " " and resid "49 " and name "HG22")
(segid " " and resid "47 " and name "HG13")
OR { 6983}
(segid " " and resid "49 " and name "HG23")
(segid " " and resid "47 " and name "HG11")
OR { 6983}
(segid " " and resid "49 " and name "HG21")
(segid " " and resid "47 " and name "HG12")
OR { 6983}
(segid " " and resid "65 " and name "HG12")
(segid " " and resid "47 " and name "HG22")
OR { 6983}
(segid " " and resid "65 " and name "HG13")
(segid " " and resid "47 " and name "HG12")
OR { 6983}
(segid " " and resid "65 " and name "HG11")
(segid " " and resid "47 " and name "HG21")
OR { 6983}
(segid " " and resid "65 " and name "HG11")
(segid " " and resid "47 " and name "HG12")
OR { 6983}
(segid " " and resid "65 " and name "HG13")
(segid " " and resid "47 " and name "HG21")
OR { 6983}
(segid " " and resid "49 " and name "HG23")
(segid " " and resid "47 " and name "HG13")
OR { 6983}
(segid " " and resid "49 " and name "HG21")
(segid " " and resid "47 " and name "HG13")
OR { 6983}
(segid " " and resid "65 " and name "HG12")
(segid " " and resid "47 " and name "HG21")
ASSI { 6982}
(segid " " and resid "49 " and name "HG22")
(segid " " and resid "47 " and name "HG11")
3.000 1.100 1.100 peak 6982 weight 0.10000E+01 volume 0.23340E+01 ppm1 1.114 ppm2 0.473
OR { 6982}
(segid " " and resid "49 " and name "HG22")
(segid " " and resid "47 " and name "HG12")
OR { 6982}
(segid " " and resid "49 " and name "HG22")
(segid " " and resid "85 " and name "HG13")
OR { 6982}
(segid " " and resid "49 " and name "HG23")
(segid " " and resid "85 " and name "HG13")
OR { 6982}
(segid " " and resid "65 " and name "HG11")
(segid " " and resid "47 " and name "HG13")
OR { 6982}
(segid " " and resid "65 " and name "HG12")
(segid " " and resid "47 " and name "HG13")
OR { 6982}
(segid " " and resid "49 " and name "HG21")
(segid " " and resid "85 " and name "HG13")
OR { 6982}
(segid " " and resid "49 " and name "HG21")
(segid " " and resid "47 " and name "HG11")
OR { 6982}
(segid " " and resid "49 " and name "HG22")
(segid " " and resid "47 " and name "HG13")
OR { 6982}
(segid " " and resid "49 " and name "HG23")
(segid " " and resid "47 " and name "HG11")
OR { 6982}
(segid " " and resid "49 " and name "HG21")
(segid " " and resid "47 " and name "HG12")
OR { 6982}
(segid " " and resid "65 " and name "HG13")
(segid " " and resid "47 " and name "HG12")
OR { 6982}
(segid " " and resid "65 " and name "HG11")
(segid " " and resid "47 " and name "HG21")
OR { 6982}
(segid " " and resid "65 " and name "HG11")
(segid " " and resid "47 " and name "HG12")
OR { 6982}
(segid " " and resid "49 " and name "HG23")
(segid " " and resid "47 " and name "HG13")
OR { 6982}
(segid " " and resid "49 " and name "HG21")
(segid " " and resid "47 " and name "HG13")
OR { 6982}
(segid " " and resid "65 " and name "HG12")
(segid " " and resid "47 " and name "HG21")
ASSI { 6511}
(segid " " and resid "11 " and name "HG2 ")
(segid " " and resid "11 " and name "HA ")
5.000 3.100 1.000 peak 6511 weight 0.10000E+01 volume -0.36100E+00 ppm1 1.186 ppm2 4.895
OR { 6511}
(segid " " and resid "25 " and name "HB1 ")
(segid " " and resid "24 " and name "HA ")
ASSI { 7011}
(segid " " and resid "73 " and name "HD22")
(segid " " and resid "69 " and name "HE1 ")
3.500 1.500 1.500 peak 7011 weight 0.10000E+01 volume 0.40300E+00 ppm1 0.739 ppm2 6.745
OR { 7011}
(segid " " and resid "73 " and name "HD22")
(segid " " and resid "69 " and name "HE2 ")
OR { 7011}
(segid " " and resid "73 " and name "HD23")
(segid " " and resid "69 " and name "HE2 ")
OR { 7011}
(segid " " and resid "102 " and name "HG1 ")
(segid " " and resid "106 " and name "HE1 ")
OR { 7011}
(segid " " and resid "73 " and name "HD21")
(segid " " and resid "69 " and name "HE2 ")
ASSI { 7397}
(segid " " and resid "95 " and name "HG2 ")
(segid " " and resid "93 " and name "HA ")
3.000 1.100 1.100 peak 7397 weight 0.10000E+01 volume 0.36400E+00 ppm1 1.256 ppm2 4.136
OR { 7397}
(segid " " and resid "6 " and name "HG2 ")
(segid " " and resid "5 " and name "HA ")
ASSI { 7462}
(segid " " and resid "7 " and name "HD22")
(segid " " and resid "60 " and name "HB1 ")
5.000 3.100 1.000 peak 7462 weight 0.10000E+01 volume -0.33200E+00 ppm1 -0.059 ppm2 3.036
OR { 7462}
(segid " " and resid "50 " and name "HE2 ")
(segid " " and resid "50 " and name "HB1 ")
OR { 7462}
(segid " " and resid "7 " and name "HD22")
(segid " " and resid "60 " and name "HB2 ")
OR { 7462}
(segid " " and resid "7 " and name "HD21")
(segid " " and resid "60 " and name "HB1 ")
ASSI { 6595}
(segid " " and resid "73 " and name "HD13")
(segid " " and resid "73 " and name "HA ")
3.300 1.400 1.400 peak 6595 weight 0.10000E+01 volume -0.20040E+01 ppm1 0.780 ppm2 4.250
OR { 6595}
(segid " " and resid "73 " and name "HD11")
(segid " " and resid "73 " and name "HA ")
OR { 6595}
(segid " " and resid "73 " and name "HD12")
(segid " " and resid "73 " and name "HA ")
OR { 6595}
(segid " " and resid "28 " and name "HD22")
(segid " " and resid "28 " and name "HA ")
OR { 6595}
(segid " " and resid "28 " and name "HD23")
(segid " " and resid "28 " and name "HA ")
ASSI { 6400}
(segid " " and resid "77 " and name "HD12")
(segid " " and resid "74 " and name "HB3 ")
4.100 2.100 1.900 peak 6400 weight 0.10000E+01 volume 0.36200E+00 ppm1 0.530 ppm2 1.271
OR { 6400}
(segid " " and resid "77 " and name "HD12")
(segid " " and resid "75 " and name "HB1 ")
OR { 6400}
(segid " " and resid "77 " and name "HD12")
(segid " " and resid "74 " and name "HB2 ")
OR { 6400}
(segid " " and resid "77 " and name "HD13")
(segid " " and resid "74 " and name "HB3 ")
OR { 6400}
(segid " " and resid "77 " and name "HD11")
(segid " " and resid "75 " and name "HB1 ")
OR { 6400}
(segid " " and resid "77 " and name "HD13")
(segid " " and resid "74 " and name "HB2 ")
OR { 6400}
(segid " " and resid "77 " and name "HD11")
(segid " " and resid "74 " and name "HB3 ")
OR { 6400}
(segid " " and resid "77 " and name "HD12")
(segid " " and resid "74 " and name "HB1 ")
OR { 6400}
(segid " " and resid "77 " and name "HD11")
(segid " " and resid "74 " and name "HB2 ")
OR { 6400}
(segid " " and resid "77 " and name "HD13")
(segid " " and resid "75 " and name "HB1 ")
OR { 6400}
(segid " " and resid "77 " and name "HD11")
(segid " " and resid "74 " and name "HB1 ")
ASSI { 7086}
(segid " " and resid "58 " and name "HG1 ")
(segid " " and resid "57 " and name "HA1 ")
5.000 3.100 1.000 peak 7086 weight 0.10000E+01 volume -0.89500E+00 ppm1 1.717 ppm2 4.687
OR { 7086}
(segid " " and resid "8 " and name "HB3 ")
(segid " " and resid "57 " and name "HA1 ")
OR { 7086}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "57 " and name "HA1 ")
ASSI { 6922}
(segid " " and resid "56 " and name "HG1 ")
(segid " " and resid "56 " and name "HA ")
5.000 3.100 1.000 peak 6922 weight 0.10000E+01 volume -0.13300E+01 ppm1 1.742 ppm2 4.310
OR { 6922}
(segid " " and resid "58 " and name "HG1 ")
(segid " " and resid "58 " and name "HA ")
OR { 6922}
(segid " " and resid "56 " and name "HG2 ")
(segid " " and resid "56 " and name "HA ")
ASSI { 6893}
(segid " " and resid "21 " and name "HG2 ")
(segid " " and resid "21 " and name "HB1 ")
2.100 0.600 0.600 peak 6893 weight 0.10000E+01 volume 0.15790E+01 ppm1 1.432 ppm2 1.427
OR { 6893}
(segid " " and resid "43 " and name "HG1 ")
(segid " " and resid "43 " and name "HB2 ")
ASSI { 7240}
(segid " " and resid "84 " and name "HG11")
(segid " " and resid "80 " and name "HD1 ")
3.200 1.300 1.300 peak 7240 weight 0.10000E+01 volume 0.45400E+00 ppm1 1.570 ppm2 6.929
OR { 7240}
(segid " " and resid "39 " and name "HG ")
(segid " " and resid "80 " and name "HD2 ")
ASSI { 6800}
(segid " " and resid "34 " and name "HG1 ")
(segid " " and resid "38 " and name "HD2 ")
3.300 1.400 1.400 peak 6800 weight 0.10000E+01 volume 0.34500E+00 ppm1 1.498 ppm2 7.365
OR { 6800}
(segid " " and resid "41 " and name "HG11")
(segid " " and resid "31 " and name "HD1 ")
OR { 6800}
(segid " " and resid "34 " and name "HG1 ")
(segid " " and resid "38 " and name "HD1 ")
OR { 6800}
(segid " " and resid "39 " and name "HG ")
(segid " " and resid "31 " and name "HD1 ")
ASSI { 7186}
(segid " " and resid "28 " and name "HG ")
(segid " " and resid "28 " and name "HA ")
3.300 1.400 1.400 peak 7186 weight 0.10000E+01 volume -0.30880E+01 ppm1 1.555 ppm2 4.315
OR { 7186}
(segid " " and resid "73 " and name "HG ")
(segid " " and resid "73 " and name "HA ")
OR { 7186}
(segid " " and resid "76 " and name "HG1 ")
(segid " " and resid "76 " and name "HA ")
OR { 7186}
(segid " " and resid "76 " and name "HG2 ")
(segid " " and resid "76 " and name "HA ")
ASSI { 7160}
(segid " " and resid "53 " and name "HG ")
(segid " " and resid "79 " and name "HE2 ")
3.400 1.400 1.400 peak 7160 weight 0.10000E+01 volume 0.28900E+00 ppm1 1.813 ppm2 6.667
OR { 7160}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "79 " and name "HE2 ")
OR { 7160}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "79 " and name "HE2 ")
ASSI { 6911}
(segid " " and resid "76 " and name "HG1 ")
(segid " " and resid "76 " and name "HD2 ")
2.700 0.900 0.900 peak 6911 weight 0.10000E+01 volume -0.48990E+01 ppm1 1.546 ppm2 3.176
OR { 6911}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HE2 ")
OR { 6911}
(segid " " and resid "76 " and name "HG2 ")
(segid " " and resid "76 " and name "HD2 ")
OR { 6911}
(segid " " and resid "76 " and name "HG1 ")
(segid " " and resid "76 " and name "HD1 ")
OR { 6911}
(segid " " and resid "76 " and name "HG2 ")
(segid " " and resid "76 " and name "HD1 ")
ASSI { 6664}
(segid " " and resid "39 " and name "HG ")
(segid " " and resid "39 " and name "HA ")
5.000 3.100 1.000 peak 6664 weight 0.10000E+01 volume -0.10560E+01 ppm1 1.669 ppm2 4.739
OR { 6664}
(segid " " and resid "86 " and name "HG1 ")
(segid " " and resid "86 " and name "HA ")
ASSI { 737}
(segid " " and resid "93 " and name "HG2 ")
(segid " " and resid "93 " and name "HA ")
2.500 0.800 0.800 peak 737 weight 0.10000E+01 volume 0.10790E+01 ppm1 2.034 ppm2 4.150
OR { 737}
(segid " " and resid "5 " and name "HG1 ")
(segid " " and resid "5 " and name "HA ")
OR { 737}
(segid " " and resid "93 " and name "HG1 ")
(segid " " and resid "93 " and name "HA ")
ASSI { 7396}
(segid " " and resid "93 " and name "HG2 ")
(segid " " and resid "93 " and name "HA ")
2.400 0.700 0.700 peak 7396 weight 0.10000E+01 volume 0.14360E+01 ppm1 1.928 ppm2 4.168
OR { 7396}
(segid " " and resid "3 " and name "HG2 ")
(segid " " and resid "3 " and name "HA ")
OR { 7396}
(segid " " and resid "5 " and name "HG1 ")
(segid " " and resid "5 " and name "HA ")
OR { 7396}
(segid " " and resid "5 " and name "HG2 ")
(segid " " and resid "5 " and name "HA ")
ASSI { 6320}
(segid " " and resid "92 " and name "HD2 ")
(segid " " and resid "92 " and name "HB2 ")
5.000 3.100 1.000 peak 6320 weight 0.10000E+01 volume -0.12010E+01 ppm1 1.469 ppm2 1.584
OR { 6320}
(segid " " and resid "10 " and name "HG2 ")
(segid " " and resid "10 " and name "HB2 ")
ASSI { 1094}
(segid " " and resid "92 " and name "HD2 ")
(segid " " and resid "21 " and name "HD1 ")
5.000 3.100 1.000 peak 1094 weight 0.10000E+01 volume -0.38600E+00 ppm1 1.482 ppm2 3.579
OR { 1094}
(segid " " and resid "92 " and name "HD2 ")
(segid " " and resid "93 " and name "HD2 ")
ASSI { 1091}
(segid " " and resid "92 " and name "HD1 ")
(segid " " and resid "93 " and name "HD2 ")
5.000 3.100 1.000 peak 1091 weight 0.10000E+01 volume -0.36000E+00 ppm1 1.593 ppm2 3.580
OR { 1091}
(segid " " and resid "92 " and name "HD1 ")
(segid " " and resid "21 " and name "HD1 ")
ASSI { 6465}
(segid " " and resid "56 " and name "HB1 ")
(segid " " and resid "56 " and name "HG1 ")
2.000 0.500 0.500 peak 6465 weight 0.10000E+01 volume 0.18470E+01 ppm1 2.002 ppm2 1.732
OR { 6465}
(segid " " and resid "56 " and name "HB1 ")
(segid " " and resid "56 " and name "HG2 ")
OR { 6465}
(segid " " and resid "58 " and name "HB2 ")
(segid " " and resid "58 " and name "HG1 ")
ASSI { 7522}
(segid " " and resid "108 " and name "HB1 ")
(segid " " and resid "108 " and name "HG2 ")
2.700 0.900 0.900 peak 7522 weight 0.10000E+01 volume -0.56270E+01 ppm1 2.206 ppm2 2.424
OR { 7522}
(segid " " and resid "66 " and name "HB1 ")
(segid " " and resid "66 " and name "HG1 ")
OR { 7522}
(segid " " and resid "66 " and name "HB1 ")
(segid " " and resid "66 " and name "HG2 ")
OR { 7522}
(segid " " and resid "108 " and name "HB1 ")
(segid " " and resid "108 " and name "HG1 ")
ASSI { 6619}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "28 " and name "HD22")
3.300 1.400 1.400 peak 6619 weight 0.10000E+01 volume 0.34200E+00 ppm1 1.921 ppm2 0.780
OR { 6619}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "28 " and name "HD23")
OR { 6619}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "28 " and name "HD21")
OR { 6619}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "28 " and name "HD22")
OR { 6619}
(segid " " and resid "89 " and name "HB2 ")
(segid " " and resid "91 " and name "HD22")
OR { 6619}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "28 " and name "HD23")
OR { 6619}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "28 " and name "HD21")
ASSI { 7395}
(segid " " and resid "93 " and name "HB1 ")
(segid " " and resid "93 " and name "HA ")
2.100 0.600 0.600 peak 7395 weight 0.10000E+01 volume 0.28830E+01 ppm1 2.230 ppm2 4.207
OR { 7395}
(segid " " and resid "5 " and name "HB1 ")
(segid " " and resid "5 " and name "HA ")
ASSI { 6776}
(segid " " and resid "99 " and name "HB1 ")
(segid " " and resid "99 " and name "HE2 ")
5.000 3.100 1.000 peak 6776 weight 0.10000E+01 volume -0.40600E+00 ppm1 1.946 ppm2 3.074
OR { 6776}
(segid " " and resid "99 " and name "HB1 ")
(segid " " and resid "99 " and name "HE1 ")
OR { 6776}
(segid " " and resid "4 " and name "HB1 ")
(segid " " and resid "35 " and name "HB1 ")
ASSI { 7026}
(segid " " and resid "61 " and name "HB2 ")
(segid " " and resid "49 " and name "HG11")
3.300 1.400 1.400 peak 7026 weight 0.10000E+01 volume -0.20930E+01 ppm1 2.468 ppm2 0.689
OR { 7026}
(segid " " and resid "61 " and name "HB2 ")
(segid " " and resid "49 " and name "HG12")
OR { 7026}
(segid " " and resid "61 " and name "HB2 ")
(segid " " and resid "49 " and name "HG13")
OR { 7026}
(segid " " and resid "16 " and name "HG1 ")
(segid " " and resid "96 " and name "HG13")
ASSI { 7019}
(segid " " and resid "16 " and name "HG1 ")
(segid " " and resid "98 " and name "HG13")
5.000 3.100 1.000 peak 7019 weight 0.10000E+01 volume -0.76200E+00 ppm1 2.462 ppm2 1.071
OR { 7019}
(segid " " and resid "16 " and name "HG2 ")
(segid " " and resid "98 " and name "HG13")
OR { 7019}
(segid " " and resid "61 " and name "HB2 ")
(segid " " and resid "49 " and name "HG23")
OR { 7019}
(segid " " and resid "61 " and name "HB2 ")
(segid " " and resid "49 " and name "HG22")
OR { 7019}
(segid " " and resid "61 " and name "HB2 ")
(segid " " and resid "49 " and name "HG21")
ASSI { 864}
(segid " " and resid "92 " and name "HB1 ")
(segid " " and resid "21 " and name "HD1 ")
2.500 0.800 0.800 peak 864 weight 0.10000E+01 volume 0.53900E+00 ppm1 1.811 ppm2 3.583
OR { 864}
(segid " " and resid "92 " and name "HB1 ")
(segid " " and resid "93 " and name "HD2 ")
ASSI { 1050}
(segid " " and resid "92 " and name "HB2 ")
(segid " " and resid "21 " and name "HD1 ")
2.600 0.800 0.800 peak 1050 weight 0.10000E+01 volume 0.42700E+00 ppm1 1.591 ppm2 3.579
OR { 1050}
(segid " " and resid "92 " and name "HB2 ")
(segid " " and resid "93 " and name "HD2 ")
ASSI { 6540}
(segid " " and resid "85 " and name "HB ")
(segid " " and resid "25 " and name "HA ")
3.100 1.200 1.200 peak 6540 weight 0.10000E+01 volume 0.28700E+00 ppm1 1.799 ppm2 5.273
OR { 6540}
(segid " " and resid "26 " and name "HB ")
(segid " " and resid "25 " and name "HA ")
ASSI { 6325}
(segid " " and resid "10 " and name "HB1 ")
(segid " " and resid "10 " and name "HD1 ")
2.600 0.800 0.800 peak 6325 weight 0.10000E+01 volume 0.37100E+00 ppm1 1.991 ppm2 3.303
OR { 6325}
(segid " " and resid "98 " and name "HB ")
(segid " " and resid "11 " and name "HE1 ")
OR { 6325}
(segid " " and resid "98 " and name "HB ")
(segid " " and resid "11 " and name "HE2 ")
ASSI { 7341}
(segid " " and resid "87 " and name "HG1 ")
(segid " " and resid "85 " and name "HG21")
5.000 3.100 1.000 peak 7341 weight 0.10000E+01 volume -0.30600E+00 ppm1 2.497 ppm2 0.836
OR { 7341}
(segid " " and resid "80 " and name "HB2 ")
(segid " " and resid "85 " and name "HG23")
OR { 7341}
(segid " " and resid "87 " and name "HG1 ")
(segid " " and resid "85 " and name "HG22")
OR { 7341}
(segid " " and resid "80 " and name "HB2 ")
(segid " " and resid "85 " and name "HG21")
ASSI { 4132}
(segid " " and resid "70 " and name "HB2 ")
(segid " " and resid "70 " and name "HA ")
2.100 0.600 0.600 peak 4132 weight 0.10000E+01 volume 0.27310E+01 ppm1 2.835 ppm2 4.450
OR { 4132}
(segid " " and resid "69 " and name "HB1 ")
(segid " " and resid "69 " and name "HA ")
OR { 4132}
(segid " " and resid "69 " and name "HB2 ")
(segid " " and resid "69 " and name "HA ")
ASSI { 7179}
(segid " " and resid "72 " and name "HB1 ")
(segid " " and resid "75 " and name "HB2 ")
5.000 3.100 1.000 peak 7179 weight 0.10000E+01 volume -0.42400E+00 ppm1 2.773 ppm2 1.265
OR { 7179}
(segid " " and resid "72 " and name "HB1 ")
(segid " " and resid "75 " and name "HB1 ")
OR { 7179}
(segid " " and resid "72 " and name "HB1 ")
(segid " " and resid "75 " and name "HB3 ")
OR { 7179}
(segid " " and resid "72 " and name "HB1 ")
(segid " " and resid "74 " and name "HB1 ")
OR { 7179}
(segid " " and resid "72 " and name "HB1 ")
(segid " " and resid "74 " and name "HB2 ")
ASSI { 7151}
(segid " " and resid "105 " and name "HB2 ")
(segid " " and resid "79 " and name "HE1 ")
5.000 3.100 1.000 peak 7151 weight 0.10000E+01 volume -0.41500E+00 ppm1 2.631 ppm2 6.751
OR { 7151}
(segid " " and resid "68 " and name "HB1 ")
(segid " " and resid "70 " and name "HE2 ")
OR { 7151}
(segid " " and resid "105 " and name "HB2 ")
(segid " " and resid "79 " and name "HE2 ")
ASSI { 6640}
(segid " " and resid "68 " and name "HB1 ")
(segid " " and resid "68 " and name "HA ")
2.100 0.600 0.600 peak 6640 weight 0.10000E+01 volume 0.31770E+01 ppm1 2.624 ppm2 4.614
OR { 6640}
(segid " " and resid "68 " and name "HB2 ")
(segid " " and resid "68 " and name "HA ")
OR { 6640}
(segid " " and resid "72 " and name "HB2 ")
(segid " " and resid "72 " and name "HA ")
ASSI { 7391}
(segid " " and resid "54 " and name "HE1 ")
(segid " " and resid "54 " and name "HG1 ")
3.300 1.400 1.400 peak 7391 weight 0.10000E+01 volume -0.36960E+01 ppm1 2.846 ppm2 1.366
OR { 7391}
(segid " " and resid "54 " and name "HE2 ")
(segid " " and resid "54 " and name "HG1 ")
OR { 7391}
(segid " " and resid "92 " and name "HE2 ")
(segid " " and resid "92 " and name "HG2 ")
OR { 7391}
(segid " " and resid "92 " and name "HE1 ")
(segid " " and resid "92 " and name "HG2 ")
OR { 7391}
(segid " " and resid "54 " and name "HE2 ")
(segid " " and resid "54 " and name "HG2 ")
ASSI { 6626}
(segid " " and resid "91 " and name "HB2 ")
(segid " " and resid "91 " and name "HD23")
3.300 1.400 1.400 peak 6626 weight 0.10000E+01 volume -0.27010E+01 ppm1 1.516 ppm2 0.780
OR { 6626}
(segid " " and resid "91 " and name "HB1 ")
(segid " " and resid "91 " and name "HD23")
OR { 6626}
(segid " " and resid "91 " and name "HB1 ")
(segid " " and resid "91 " and name "HD21")
OR { 6626}
(segid " " and resid "73 " and name "HB2 ")
(segid " " and resid "73 " and name "HD11")
OR { 6626}
(segid " " and resid "91 " and name "HB1 ")
(segid " " and resid "91 " and name "HD22")
ASSI { 7445}
(segid " " and resid "10 " and name "HD2 ")
(segid " " and resid "99 " and name "HA ")
3.100 1.200 1.200 peak 7445 weight 0.10000E+01 volume 0.31200E+00 ppm1 3.088 ppm2 4.597
OR { 7445}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "99 " and name "HA ")
ASSI { 6308}
(segid " " and resid "10 " and name "HD2 ")
(segid " " and resid "10 " and name "HA ")
3.000 1.100 1.100 peak 6308 weight 0.10000E+01 volume 0.33900E+00 ppm1 3.092 ppm2 5.208
OR { 6308}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "10 " and name "HA ")
ASSI { 7444}
(segid " " and resid "107 " and name "HB2 ")
(segid " " and resid "106 " and name "HA ")
3.100 1.200 1.200 peak 7444 weight 0.10000E+01 volume 0.29500E+00 ppm1 3.307 ppm2 4.580
OR { 7444}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "99 " and name "HA ")
OR { 7444}
(segid " " and resid "10 " and name "HD1 ")
(segid " " and resid "99 " and name "HA ")
ASSI { 6307}
(segid " " and resid "10 " and name "HD1 ")
(segid " " and resid "10 " and name "HA ")
3.000 1.100 1.100 peak 6307 weight 0.10000E+01 volume 0.36500E+00 ppm1 3.304 ppm2 5.235
OR { 6307}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "10 " and name "HA ")
ASSI { 6660}
(segid " " and resid "58 " and name "HD1 ")
(segid " " and resid "54 " and name "HA ")
2.700 0.900 0.900 peak 6660 weight 0.10000E+01 volume 0.70300E+00 ppm1 3.160 ppm2 4.749
OR { 6660}
(segid " " and resid "58 " and name "HD2 ")
(segid " " and resid "54 " and name "HA ")
OR { 6660}
(segid " " and resid "86 " and name "HD2 ")
(segid " " and resid "86 " and name "HA ")
ASSI { 6350}
(segid " " and resid "12 " and name "HB1 ")
(segid " " and resid "12 " and name "HG ")
3.300 1.400 1.400 peak 6350 weight 0.10000E+01 volume -0.24630E+01 ppm1 1.355 ppm2 1.324
OR { 6350}
(segid " " and resid "77 " and name "HB1 ")
(segid " " and resid "77 " and name "HG ")
OR { 6350}
(segid " " and resid "77 " and name "HB2 ")
(segid " " and resid "77 " and name "HG ")
ASSI { 6349}
(segid " " and resid "12 " and name "HB2 ")
(segid " " and resid "12 " and name "HG ")
5.000 3.100 1.000 peak 6349 weight 0.10000E+01 volume -0.16950E+01 ppm1 1.512 ppm2 1.373
OR { 6349}
(segid " " and resid "41 " and name "HB ")
(segid " " and resid "41 " and name "HG11")
ASSI { 6527}
(segid " " and resid "93 " and name "HD2 ")
(segid " " and resid "93 " and name "HB1 ")
5.000 3.100 1.000 peak 6527 weight 0.10000E+01 volume -0.62900E+00 ppm1 3.583 ppm2 2.198
OR { 6527}
(segid " " and resid "3 " and name "HD1 ")
(segid " " and resid "3 " and name "HB1 ")
ASSI { 5068}
(segid " " and resid "7 " and name "HG ")
(segid " " and resid "60 " and name "HD1 ")
3.500 1.500 1.500 peak 5068 weight 0.10000E+01 volume 0.41800E+00 ppm1 0.792 ppm2 6.991
OR { 5068}
(segid " " and resid "53 " and name "HD23")
(segid " " and resid "60 " and name "HD1 ")
OR { 5068}
(segid " " and resid "53 " and name "HD22")
(segid " " and resid "60 " and name "HD2 ")
OR { 5068}
(segid " " and resid "53 " and name "HD23")
(segid " " and resid "60 " and name "HD2 ")
OR { 5068}
(segid " " and resid "53 " and name "HD21")
(segid " " and resid "60 " and name "HD1 ")
ASSI { 6901}
(segid " " and resid "58 " and name "HA ")
(segid " " and resid "58 " and name "HD1 ")
2.700 0.900 0.900 peak 6901 weight 0.10000E+01 volume 0.63900E+00 ppm1 4.299 ppm2 3.214
OR { 6901}
(segid " " and resid "56 " and name "HA ")
(segid " " and resid "56 " and name "HD1 ")
OR { 6901}
(segid " " and resid "58 " and name "HA ")
(segid " " and resid "58 " and name "HD2 ")
OR { 6901}
(segid " " and resid "56 " and name "HA ")
(segid " " and resid "56 " and name "HD2 ")
ASSI { 7358}
(segid " " and resid "90 " and name "HA ")
(segid " " and resid "89 " and name "HA ")
5.000 3.100 1.000 peak 7358 weight 0.10000E+01 volume -0.30400E+00 ppm1 4.023 ppm2 4.514
OR { 7358}
(segid " " and resid "96 " and name "HA ")
(segid " " and resid "95 " and name "HA ")
ASSI { 5900}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "56 " and name "HA ")
5.000 3.100 1.000 peak 5900 weight 0.10000E+01 volume -0.11290E+01 ppm1 7.737 ppm2 4.301
OR { 5900}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "58 " and name "HA ")
ASSI { 3248}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "14 " and name "HA ")
5.000 3.100 1.000 peak 3248 weight 0.10000E+01 volume -0.38600E+00 ppm1 8.498 ppm2 4.537
OR { 3248}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "92 " and name "HA ")
ASSI { 5979}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "46 " and name "HG21")
6.000 4.500 0.000 peak 5979 weight 0.10000E+01 volume 0.33400E+00 ppm1 8.478 ppm2 1.065
OR { 5979}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "65 " and name "HG12")
OR { 5979}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "46 " and name "HG22")
OR { 5979}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "65 " and name "HG11")
OR { 5979}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "65 " and name "HG13")
ASSI { 6166}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "99 " and name "HB2 ")
2.800 1.000 1.000 peak 6166 weight 0.10000E+01 volume 0.13570E+01 ppm1 7.866 ppm2 1.821
OR { 6166}
(segid " " and resid "86 " and name "HE ")
(segid " " and resid "86 " and name "HB1 ")
ASSI { 1910}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "16 " and name "HB1 ")
2.700 0.900 0.900 peak 1910 weight 0.10000E+01 volume 0.21640E+01 ppm1 7.843 ppm2 2.194
OR { 1910}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "17 " and name "HB1 ")
OR { 1910}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "16 " and name "HB2 ")
ASSI { 1998}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "4 " and name "HE1 ")
6.000 4.500 0.000 peak 1998 weight 0.10000E+01 volume 0.56100E+00 ppm1 8.730 ppm2 2.119
OR { 1998}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "4 " and name "HE3 ")
OR { 1998}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "4 " and name "HE2 ")
OR { 1998}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "1 " and name "HE3 ")
OR { 1998}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "1 " and name "HE1 ")
ASSI { 1597}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "10 " and name "HG1 ")
5.000 3.100 1.000 peak 1597 weight 0.10000E+01 volume -0.38600E+00 ppm1 9.368 ppm2 1.593
OR { 1597}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "11 " and name "HD1 ")
OR { 1597}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "10 " and name "HG2 ")
OR { 1597}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "11 " and name "HD2 ")
ASSI { 6004}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "76 " and name "HD1 ")
3.800 1.800 1.800 peak 6004 weight 0.10000E+01 volume 0.26000E+00 ppm1 7.891 ppm2 3.172
OR { 6004}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "76 " and name "HD2 ")
OR { 6004}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "10 " and name "HD2 ")
ASSI { 6074}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "86 " and name "HG2 ")
6.000 4.500 0.000 peak 6074 weight 0.10000E+01 volume -0.29200E+00 ppm1 8.603 ppm2 1.409
OR { 6074}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "12 " and name "HG ")
ASSI { 6073}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "86 " and name "HG1 ")
5.000 3.100 1.000 peak 6073 weight 0.10000E+01 volume -0.59800E+00 ppm1 8.599 ppm2 1.643
OR { 6073}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "28 " and name "HG ")
ASSI { 5824}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "49 " and name "HG22")
6.000 4.500 0.000 peak 5824 weight 0.10000E+01 volume -0.26600E+00 ppm1 9.188 ppm2 1.068
OR { 5824}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "49 " and name "HG21")
OR { 5824}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "65 " and name "HG12")
OR { 5824}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "65 " and name "HG13")
OR { 5824}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "65 " and name "HG11")
ASSI { 6148}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "97 " and name "HB1 ")
3.300 1.400 1.400 peak 6148 weight 0.10000E+01 volume 0.56300E+00 ppm1 9.292 ppm2 2.776
OR { 6148}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "11 " and name "HE2 ")
ASSI { 2279}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "24 " and name "HB1 ")
3.500 1.500 1.500 peak 2279 weight 0.10000E+01 volume 0.43000E+00 ppm1 9.440 ppm2 1.796
OR { 2279}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "85 " and name "HB ")
OR { 2279}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "85 " and name "HB ")
ASSI { 6143}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "96 " and name "HB ")
6.000 4.500 0.000 peak 6143 weight 0.10000E+01 volume -0.28600E+00 ppm1 8.372 ppm2 1.590
OR { 6143}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "37 " and name "HB2 ")
ASSI { 3133}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "79 " and name "HD2 ")
4.300 2.300 1.700 peak 3133 weight 0.10000E+01 volume 0.22200E+00 ppm1 9.274 ppm2 6.940
OR { 3133}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "80 " and name "HE2 ")
OR { 3133}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "80 " and name "HE1 ")
ASSI { 3135}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "61 " and name "HN ")
3.700 1.700 1.700 peak 3135 weight 0.10000E+01 volume 0.17900E+00 ppm1 9.276 ppm2 8.779
OR { 3135}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "80 " and name "HN ")
ASSI { 3059}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "56 " and name "HD1 ")
3.900 1.900 1.900 peak 3059 weight 0.10000E+01 volume 0.18300E+00 ppm1 7.743 ppm2 3.178
OR { 3059}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "56 " and name "HD2 ")
OR { 3059}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "58 " and name "HD2 ")
ASSI { 3057}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "53 " and name "HD22")
4.000 2.000 2.000 peak 3057 weight 0.10000E+01 volume 0.21200E+00 ppm1 7.744 ppm2 0.778
OR { 3057}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "7 " and name "HG ")
OR { 3057}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "53 " and name "HD21")
OR { 3057}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "53 " and name "HD23")
ASSI { 3061}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "7 " and name "HB1 ")
4.000 2.000 2.000 peak 3061 weight 0.10000E+01 volume 0.15400E+00 ppm1 7.732 ppm2 1.088
OR { 3061}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "53 " and name "HB2 ")
ASSI { 3060}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "7 " and name "HB2 ")
4.100 2.100 1.900 peak 3060 weight 0.10000E+01 volume 0.15700E+00 ppm1 7.735 ppm2 0.909
OR { 3060}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "53 " and name "HD11")
OR { 3060}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "53 " and name "HD12")
OR { 3060}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "53 " and name "HD13")
ASSI { 3047}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "56 " and name "HG1 ")
2.600 0.800 0.800 peak 3047 weight 0.10000E+01 volume 0.24870E+01 ppm1 7.736 ppm2 1.714
OR { 3047}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "8 " and name "HB3 ")
OR { 3047}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "8 " and name "HB1 ")
OR { 3047}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "8 " and name "HB2 ")
ASSI { 3049}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "56 " and name "HA ")
2.700 0.900 0.900 peak 3049 weight 0.10000E+01 volume 0.13020E+01 ppm1 7.736 ppm2 4.301
OR { 3049}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "8 " and name "HA ")
ASSI { 3056}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "55 " and name "HA2 ")
3.600 1.600 1.600 peak 3056 weight 0.10000E+01 volume 0.22700E+00 ppm1 7.736 ppm2 3.841
OR { 3056}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "7 " and name "HA ")
ASSI { 2596}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "22 " and name "HG11")
3.500 1.500 1.500 peak 2596 weight 0.10000E+01 volume 0.33000E+00 ppm1 7.620 ppm2 1.747
OR { 2596}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "24 " and name "HB1 ")
ASSI { 2591}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "49 " and name "HN ")
3.000 1.100 1.100 peak 2591 weight 0.10000E+01 volume 0.59700E+00 ppm1 7.619 ppm2 8.972
OR { 2591}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "91 " and name "HN ")
ASSI { 2747}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "38 " and name "HE1 ")
4.200 2.200 1.800 peak 2747 weight 0.10000E+01 volume 0.25300E+00 ppm1 7.408 ppm2 6.860
OR { 2747}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "38 " and name "HE2 ")
OR { 2747}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "31 " and name "HE1 ")
ASSI { 2599}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "90 " and name "HG23")
3.800 1.800 1.800 peak 2599 weight 0.10000E+01 volume 0.23800E+00 ppm1 7.620 ppm2 1.011
OR { 2599}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "90 " and name "HG21")
OR { 2599}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "21 " and name "HB2 ")
OR { 2599}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "90 " and name "HG22")
ASSI { 2600}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "50 " and name "HA ")
3.600 1.600 1.600 peak 2600 weight 0.10000E+01 volume 0.20000E+00 ppm1 7.625 ppm2 4.461
OR { 2600}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "49 " and name "HA ")
ASSI { 2593}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "21 " and name "HB1 ")
3.300 1.400 1.400 peak 2593 weight 0.10000E+01 volume 0.50600E+00 ppm1 7.623 ppm2 1.462
OR { 2593}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "91 " and name "HB1 ")
OR { 2593}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "91 " and name "HG ")
ASSI { 2738}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "34 " and name "HD1 ")
3.000 1.100 1.100 peak 2738 weight 0.10000E+01 volume 0.79800E+00 ppm1 7.409 ppm2 3.778
OR { 2738}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "38 " and name "HB1 ")
ASSI { 3307}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "45 " and name "HN ")
4.000 2.000 2.000 peak 3307 weight 0.10000E+01 volume 0.10500E+00 ppm1 8.799 ppm2 8.156
OR { 3307}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "77 " and name "HN ")
ASSI { 3308}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "39 " and name "HG ")
3.900 1.900 1.900 peak 3308 weight 0.10000E+01 volume 0.16400E+00 ppm1 8.801 ppm2 1.566
OR { 3308}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "41 " and name "HB ")
OR { 3308}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "39 " and name "HB1 ")
ASSI { 3256}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "69 " and name "HB1 ")
3.300 1.400 1.400 peak 3256 weight 0.10000E+01 volume 0.45400E+00 ppm1 7.763 ppm2 2.832
OR { 3256}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "70 " and name "HB2 ")
ASSI { 3247}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "70 " and name "HN ")
2.500 0.800 0.800 peak 3247 weight 0.10000E+01 volume 0.16570E+01 ppm1 7.765 ppm2 8.130
OR { 3247}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "72 " and name "HN ")
ASSI { 3450}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "95 " and name "HG2 ")
3.300 1.400 1.400 peak 3450 weight 0.10000E+01 volume 0.49200E+00 ppm1 8.496 ppm2 1.257
OR { 3450}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "14 " and name "HB1 ")
OR { 3450}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "22 " and name "HB ")
OR { 3450}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "95 " and name "HG1 ")
ASSI { 3260}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "70 " and name "HE2 ")
5.100 3.300 0.900 peak 3260 weight 0.10000E+01 volume 0.82000E-01 ppm1 7.762 ppm2 6.689
OR { 3260}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "70 " and name "HE1 ")
OR { 3260}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "69 " and name "HE2 ")
OR { 3260}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "69 " and name "HE1 ")
ASSI { 3448}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "99 " and name "HD2 ")
3.100 1.200 1.200 peak 3448 weight 0.10000E+01 volume 0.69800E+00 ppm1 8.496 ppm2 1.725
OR { 3448}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "93 " and name "HB2 ")
OR { 3448}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "99 " and name "HD1 ")
ASSI { 3374}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "96 " and name "HG23")
3.600 1.600 1.600 peak 3374 weight 0.10000E+01 volume 0.37100E+00 ppm1 7.511 ppm2 0.678
OR { 3374}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "84 " and name "HD12")
OR { 3374}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "96 " and name "HG13")
OR { 3374}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "96 " and name "HG21")
OR { 3374}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "96 " and name "HG22")
ASSI { 3370}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "84 " and name "HG11")
3.300 1.400 1.400 peak 3370 weight 0.10000E+01 volume 0.48700E+00 ppm1 7.519 ppm2 1.614
OR { 3370}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "96 " and name "HB ")
ASSI { 3376}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "86 " and name "HN ")
3.500 1.500 1.500 peak 3376 weight 0.10000E+01 volume 0.23400E+00 ppm1 7.514 ppm2 8.606
OR { 3376}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "82 " and name "HN ")
OR { 3376}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "96 " and name "HN ")
ASSI { 3378}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "15 " and name "HB2 ")
3.700 1.700 1.700 peak 3378 weight 0.10000E+01 volume 0.21100E+00 ppm1 7.520 ppm2 2.874
OR { 3378}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "82 " and name "HA ")
OR { 3378}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "15 " and name "HB1 ")
ASSI { 3632}
(segid " " and resid "66 " and name "HE21")
(segid " " and resid "68 " and name "HN ")
3.500 1.500 1.500 peak 3632 weight 0.10000E+01 volume 0.24500E+00 ppm1 7.408 ppm2 8.121
OR { 3632}
(segid " " and resid "89 " and name "HE21")
(segid " " and resid "92 " and name "HN ")
ASSI { 2527}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "13 " and name "HN ")
4.000 2.000 2.000 peak 2527 weight 0.10000E+01 volume 0.10400E+00 ppm1 7.599 ppm2 9.181
OR { 2527}
(segid " " and resid "29 " and name "HE21")
(segid " " and resid "31 " and name "HN ")
ASSI { 2518}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "19 " and name "HN ")
3.800 1.800 1.800 peak 2518 weight 0.10000E+01 volume 0.14000E+00 ppm1 7.601 ppm2 9.818
OR { 2518}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "28 " and name "HN ")
ASSI { 2500}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "14 " and name "HB3 ")
2.900 1.100 1.100 peak 2500 weight 0.10000E+01 volume 0.12500E+01 ppm1 7.603 ppm2 1.248
OR { 2500}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "84 " and name "HG12")
OR { 2500}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "14 " and name "HB2 ")
OR { 2500}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "14 " and name "HB1 ")
ASSI { 2507}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "15 " and name "HB2 ")
3.400 1.400 1.400 peak 2507 weight 0.10000E+01 volume 0.40400E+00 ppm1 7.601 ppm2 2.777
OR { 2507}
(segid " " and resid "29 " and name "HE21")
(segid " " and resid "29 " and name "HG1 ")
OR { 2507}
(segid " " and resid "29 " and name "HE21")
(segid " " and resid "29 " and name "HG2 ")
ASSI { 2504}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "96 " and name "HG23")
3.200 1.300 1.300 peak 2504 weight 0.10000E+01 volume 0.79200E+00 ppm1 7.601 ppm2 0.699
OR { 2504}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "84 " and name "HG22")
OR { 2504}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "84 " and name "HG23")
OR { 2504}
(segid " " and resid "29 " and name "HE21")
(segid " " and resid "84 " and name "HG23")
OR { 2504}
(segid " " and resid "29 " and name "HE21")
(segid " " and resid "84 " and name "HG21")
OR { 2504}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "96 " and name "HG13")
OR { 2504}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "96 " and name "HG21")
OR { 2504}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "96 " and name "HG22")
ASSI { 2510}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "82 " and name "HA ")
3.500 1.500 1.500 peak 2510 weight 0.10000E+01 volume 0.32000E+00 ppm1 7.600 ppm2 2.944
OR { 2510}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "15 " and name "HB1 ")
ASSI { 3635}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "37 " and name "HG1 ")
3.800 1.800 1.800 peak 3635 weight 0.10000E+01 volume 0.22400E+00 ppm1 7.412 ppm2 1.931
OR { 3635}
(segid " " and resid "89 " and name "HE21")
(segid " " and resid "89 " and name "HB1 ")
OR { 3635}
(segid " " and resid "89 " and name "HE21")
(segid " " and resid "89 " and name "HB2 ")
ASSI { 2512}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "37 " and name "HG2 ")
3.600 1.600 1.600 peak 2512 weight 0.10000E+01 volume 0.31400E+00 ppm1 7.601 ppm2 1.602
OR { 2512}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "84 " and name "HG11")
ASSI { 3145}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "80 " and name "HZ ")
4.000 2.000 2.000 peak 3145 weight 0.10000E+01 volume 0.33100E+00 ppm1 9.412 ppm2 7.123
OR { 3145}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "50 " and name "HD1 ")
ASSI { 3132}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "62 " and name "HA1 ")
2.500 0.800 0.800 peak 3132 weight 0.10000E+01 volume 0.21000E+01 ppm1 9.415 ppm2 4.680
OR { 3132}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "63 " and name "HA2 ")
ASSI { 3142}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "77 " and name "HD13")
3.600 1.600 1.600 peak 3142 weight 0.10000E+01 volume 0.35900E+00 ppm1 9.411 ppm2 0.509
OR { 3142}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "47 " and name "HG13")
OR { 3142}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "77 " and name "HD11")
OR { 3142}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "77 " and name "HD12")
ASSI { 3039}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "58 " and name "HA ")
3.400 1.400 1.400 peak 3039 weight 0.10000E+01 volume 0.32500E+00 ppm1 9.140 ppm2 4.304
OR { 3039}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "49 " and name "HA ")
OR { 3039}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "56 " and name "HA ")
ASSI { 3037}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "54 " and name "HB2 ")
2.800 1.000 1.000 peak 3037 weight 0.10000E+01 volume 0.11440E+01 ppm1 9.140 ppm2 1.444
OR { 3037}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "47 " and name "HB ")
ASSI { 3044}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "8 " and name "HB1 ")
3.800 1.800 1.800 peak 3044 weight 0.10000E+01 volume 0.23000E+00 ppm1 9.141 ppm2 1.721
OR { 3044}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "8 " and name "HB3 ")
OR { 3044}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "8 " and name "HB2 ")
OR { 3044}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "54 " and name "HD1 ")
ASSI { 3041}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "24 " and name "HG2 ")
3.600 1.600 1.600 peak 3041 weight 0.10000E+01 volume 0.28600E+00 ppm1 9.135 ppm2 2.092
OR { 3041}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "58 " and name "HB1 ")
ASSI { 3647}
(segid " " and resid "29 " and name "HE21")
(segid " " and resid "30 " and name "HN ")
3.600 1.600 1.600 peak 3647 weight 0.10000E+01 volume 0.18800E+00 ppm1 7.549 ppm2 8.263
OR { 3647}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "20 " and name "HN ")
ASSI { 3645}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "96 " and name "HG23")
3.600 1.600 1.600 peak 3645 weight 0.10000E+01 volume 0.39300E+00 ppm1 7.548 ppm2 0.786
OR { 3645}
(segid " " and resid "29 " and name "HE21")
(segid " " and resid "84 " and name "HG23")
OR { 3645}
(segid " " and resid "29 " and name "HE21")
(segid " " and resid "84 " and name "HG21")
OR { 3645}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "96 " and name "HG21")
OR { 3645}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "96 " and name "HG22")
ASSI { 3621}
(segid " " and resid "29 " and name "HE21")
(segid " " and resid "29 " and name "HE22")
1.600 0.300 0.600 peak 3621 weight 0.10000E+01 volume 0.21240E+02 ppm1 7.546 ppm2 6.879
OR { 3621}
(segid " " and resid "16 " and name "HE21")
(segid " " and resid "16 " and name "HE22")
ASSI { 3649}
(segid " " and resid "29 " and name "HE21")
(segid " " and resid "29 " and name "HG1 ")
3.900 1.900 1.900 peak 3649 weight 0.10000E+01 volume 0.18100E+00 ppm1 7.548 ppm2 1.885
OR { 3649}
(segid " " and resid "29 " and name "HE21")
(segid " " and resid "29 " and name "HG2 ")
OR { 3649}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "37 " and name "HG1 ")
ASSI { 3640}
(segid " " and resid "66 " and name "HE21")
(segid " " and resid "66 " and name "HB2 ")
3.600 1.600 1.600 peak 3640 weight 0.10000E+01 volume 0.30300E+00 ppm1 7.408 ppm2 1.866
OR { 3640}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "37 " and name "HG1 ")
OR { 3640}
(segid " " and resid "89 " and name "HE21")
(segid " " and resid "89 " and name "HB1 ")
ASSI { 3643}
(segid " " and resid "66 " and name "HE21")
(segid " " and resid "46 " and name "HG21")
4.200 2.200 1.800 peak 3643 weight 0.10000E+01 volume 0.14700E+00 ppm1 7.406 ppm2 1.008
OR { 3643}
(segid " " and resid "89 " and name "HE21")
(segid " " and resid "90 " and name "HG21")
OR { 3643}
(segid " " and resid "89 " and name "HE21")
(segid " " and resid "90 " and name "HG22")
OR { 3643}
(segid " " and resid "66 " and name "HE21")
(segid " " and resid "46 " and name "HG22")
OR { 3643}
(segid " " and resid "89 " and name "HE21")
(segid " " and resid "90 " and name "HG23")
OR { 3643}
(segid " " and resid "66 " and name "HE21")
(segid " " and resid "46 " and name "HG23")
ASSI { 2459}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "106 " and name "HA ")
3.500 1.500 1.500 peak 2459 weight 0.10000E+01 volume 0.24200E+00 ppm1 8.707 ppm2 4.496
OR { 2459}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "35 " and name "HA ")
ASSI { 2967}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "61 " and name "HB2 ")
3.900 1.900 1.900 peak 2967 weight 0.10000E+01 volume 0.17000E+00 ppm1 8.577 ppm2 2.505
OR { 2967}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "49 " and name "HB ")
ASSI { 2350}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "107 " and name "HB2 ")
2.900 1.100 1.100 peak 2350 weight 0.10000E+01 volume 0.92200E+00 ppm1 8.708 ppm2 3.311
OR { 2350}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "36 " and name "HB2 ")
ASSI { 2969}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "49 " and name "HG22")
4.300 2.300 1.700 peak 2969 weight 0.10000E+01 volume 0.12400E+00 ppm1 8.578 ppm2 1.116
OR { 2969}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "49 " and name "HG23")
OR { 2969}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "49 " and name "HG21")
OR { 2969}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "52 " and name "HD1 ")
ASSI { 2950}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "63 " and name "HA2 ")
3.800 1.800 1.800 peak 2950 weight 0.10000E+01 volume 0.16100E+00 ppm1 8.577 ppm2 4.792
OR { 2950}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "52 " and name "HA ")
ASSI { 2964}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "63 " and name "HA2 ")
3.300 1.400 1.400 peak 2964 weight 0.10000E+01 volume 0.34800E+00 ppm1 8.577 ppm2 4.704
OR { 2964}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "62 " and name "HA1 ")
ASSI { 2962}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "50 " and name "HD1 ")
4.200 2.200 1.800 peak 2962 weight 0.10000E+01 volume 0.24400E+00 ppm1 8.577 ppm2 7.129
OR { 2962}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "80 " and name "HZ ")
OR { 2962}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "50 " and name "HD2 ")
ASSI { 3683}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "7 " and name "HG ")
4.500 2.500 1.500 peak 3683 weight 0.10000E+01 volume 0.11000E+00 ppm1 6.895 ppm2 0.897
OR { 3683}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "7 " and name "HB2 ")
OR { 3683}
(segid " " and resid "16 " and name "HE22")
(segid " " and resid "98 " and name "HG22")
OR { 3683}
(segid " " and resid "66 " and name "HE22")
(segid " " and resid "46 " and name "HG21")
OR { 3683}
(segid " " and resid "16 " and name "HE22")
(segid " " and resid "98 " and name "HG21")
OR { 3683}
(segid " " and resid "66 " and name "HE22")
(segid " " and resid "46 " and name "HG22")
OR { 3683}
(segid " " and resid "66 " and name "HE22")
(segid " " and resid "46 " and name "HG23")
ASSI { 3675}
(segid " " and resid "45 " and name "HE22")
(segid " " and resid "45 " and name "HG2 ")
3.300 1.400 1.400 peak 3675 weight 0.10000E+01 volume 0.49700E+00 ppm1 6.895 ppm2 2.455
OR { 3675}
(segid " " and resid "29 " and name "HE22")
(segid " " and resid "29 " and name "HG1 ")
OR { 3675}
(segid " " and resid "45 " and name "HE22")
(segid " " and resid "45 " and name "HG1 ")
OR { 3675}
(segid " " and resid "66 " and name "HE22")
(segid " " and resid "66 " and name "HG1 ")
OR { 3675}
(segid " " and resid "16 " and name "HE22")
(segid " " and resid "16 " and name "HG1 ")
OR { 3675}
(segid " " and resid "66 " and name "HE22")
(segid " " and resid "66 " and name "HG2 ")
ASSI { 3661}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "7 " and name "HG ")
4.300 2.300 1.700 peak 3661 weight 0.10000E+01 volume 0.14200E+00 ppm1 7.546 ppm2 0.897
OR { 3661}
(segid " " and resid "16 " and name "HE21")
(segid " " and resid "98 " and name "HG22")
OR { 3661}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "7 " and name "HB2 ")
OR { 3661}
(segid " " and resid "16 " and name "HE21")
(segid " " and resid "98 " and name "HG21")
OR { 3661}
(segid " " and resid "16 " and name "HE21")
(segid " " and resid "98 " and name "HG23")
ASSI { 3680}
(segid " " and resid "29 " and name "HE22")
(segid " " and resid "84 " and name "HG23")
3.700 1.700 1.700 peak 3680 weight 0.10000E+01 volume 0.31000E+00 ppm1 6.900 ppm2 0.704
OR { 3680}
(segid " " and resid "29 " and name "HE22")
(segid " " and resid "84 " and name "HG21")
OR { 3680}
(segid " " and resid "66 " and name "HE22")
(segid " " and resid "46 " and name "HG13")
OR { 3680}
(segid " " and resid "29 " and name "HE22")
(segid " " and resid "84 " and name "HG22")
OR { 3680}
(segid " " and resid "66 " and name "HE22")
(segid " " and resid "46 " and name "HG12")
ASSI { 3637}
(segid " " and resid "29 " and name "HE21")
(segid " " and resid "29 " and name "HG1 ")
3.100 1.200 1.200 peak 3637 weight 0.10000E+01 volume 0.66400E+00 ppm1 7.546 ppm2 2.458
OR { 3637}
(segid " " and resid "16 " and name "HE21")
(segid " " and resid "16 " and name "HG1 ")
OR { 3637}
(segid " " and resid "16 " and name "HE21")
(segid " " and resid "16 " and name "HG2 ")
ASSI { 3639}
(segid " " and resid "45 " and name "HE21")
(segid " " and resid "45 " and name "HG2 ")
2.800 1.000 1.000 peak 3639 weight 0.10000E+01 volume 0.11760E+01 ppm1 7.662 ppm2 2.432
OR { 3639}
(segid " " and resid "45 " and name "HE21")
(segid " " and resid "45 " and name "HG1 ")
OR { 3639}
(segid " " and resid "108 " and name "HE21")
(segid " " and resid "108 " and name "HG1 ")
OR { 3639}
(segid " " and resid "108 " and name "HE21")
(segid " " and resid "108 " and name "HG2 ")
ASSI { 3690}
(segid " " and resid "66 " and name "HE22")
(segid " " and resid "66 " and name "HB1 ")
4.000 2.000 2.000 peak 3690 weight 0.10000E+01 volume 0.15400E+00 ppm1 6.924 ppm2 2.249
OR { 3690}
(segid " " and resid "16 " and name "HE22")
(segid " " and resid "16 " and name "HB1 ")
ASSI { 3663}
(segid " " and resid "108 " and name "HE21")
(segid " " and resid "108 " and name "HB1 ")
3.800 1.800 1.800 peak 3663 weight 0.10000E+01 volume 0.18700E+00 ppm1 7.747 ppm2 2.130
OR { 3663}
(segid " " and resid "45 " and name "HE21")
(segid " " and resid "45 " and name "HB1 ")
ASSI { 3687}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "37 " and name "HG1 ")
3.900 1.900 1.900 peak 3687 weight 0.10000E+01 volume 0.21100E+00 ppm1 6.921 ppm2 1.956
OR { 3687}
(segid " " and resid "45 " and name "HE22")
(segid " " and resid "45 " and name "HB2 ")
ASSI { 3659}
(segid " " and resid "108 " and name "HE21")
(segid " " and resid "108 " and name "HB2 ")
3.800 1.800 1.800 peak 3659 weight 0.10000E+01 volume 0.20000E+00 ppm1 7.751 ppm2 1.957
OR { 3659}
(segid " " and resid "45 " and name "HE21")
(segid " " and resid "45 " and name "HB2 ")
ASSI { 3682}
(segid " " and resid "45 " and name "HE22")
(segid " " and resid "45 " and name "HG2 ")
3.000 1.100 1.100 peak 3682 weight 0.10000E+01 volume 0.79800E+00 ppm1 6.918 ppm2 2.410
OR { 3682}
(segid " " and resid "45 " and name "HE22")
(segid " " and resid "45 " and name "HG1 ")
OR { 3682}
(segid " " and resid "16 " and name "HE22")
(segid " " and resid "16 " and name "HG1 ")
OR { 3682}
(segid " " and resid "16 " and name "HE22")
(segid " " and resid "16 " and name "HG2 ")
ASSI { 3164}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "49 " and name "HG12")
4.600 2.600 1.400 peak 3164 weight 0.10000E+01 volume 0.93000E-01 ppm1 9.064 ppm2 0.673
OR { 3164}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "49 " and name "HG13")
OR { 3164}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "49 " and name "HG11")
OR { 3164}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "91 " and name "HD21")
OR { 3164}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "73 " and name "HD22")
OR { 3164}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "46 " and name "HG11")
OR { 3164}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "73 " and name "HD21")
OR { 3164}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "73 " and name "HD23")
OR { 3164}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "46 " and name "HG13")
ASSI { 3554}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "11 " and name "HE2 ")
3.700 1.700 1.700 peak 3554 weight 0.10000E+01 volume 0.23300E+00 ppm1 7.864 ppm2 2.873
OR { 3554}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "9 " and name "HB1 ")
OR { 3554}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 3157}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "63 " and name "HN ")
3.500 1.500 1.500 peak 3157 weight 0.10000E+01 volume 0.23800E+00 ppm1 9.077 ppm2 9.410
OR { 3157}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "87 " and name "HN ")
ASSI { 3165}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "39 " and name "HD12")
4.000 2.000 2.000 peak 3165 weight 0.10000E+01 volume 0.20100E+00 ppm1 9.080 ppm2 0.995
OR { 3165}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "39 " and name "HD13")
OR { 3165}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "39 " and name "HD11")
OR { 3165}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "21 " and name "HB2 ")
OR { 3165}
(segid " " and resid "56 " and name "HN ")
(segid " " and resid "53 " and name "HB2 ")
OR { 3165}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "65 " and name "HG11")
ASSI { 3160}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "48 " and name "HB1 ")
3.600 1.600 1.600 peak 3160 weight 0.10000E+01 volume 0.26900E+00 ppm1 9.072 ppm2 2.481
OR { 3160}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "87 " and name "HG1 ")
ASSI { 3158}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "89 " and name "HA ")
3.300 1.400 1.400 peak 3158 weight 0.10000E+01 volume 0.38900E+00 ppm1 9.069 ppm2 4.581
OR { 3158}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "65 " and name "HA ")
OR { 3158}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "47 " and name "HA ")
ASSI { 2671}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "37 " and name "HG2 ")
2.700 0.900 0.900 peak 2671 weight 0.10000E+01 volume 0.15400E+01 ppm1 7.414 ppm2 1.603
OR { 2671}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "28 " and name "HB2 ")
ASSI { 2679}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "84 " and name "HD11")
3.500 1.500 1.500 peak 2679 weight 0.10000E+01 volume 0.45300E+00 ppm1 7.417 ppm2 0.676
OR { 2679}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "84 " and name "HD12")
OR { 2679}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "41 " and name "HG22")
OR { 2679}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "84 " and name "HD13")
ASSI { 2683}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "85 " and name "HA ")
3.700 1.700 1.700 peak 2683 weight 0.10000E+01 volume 0.19700E+00 ppm1 7.420 ppm2 5.335
OR { 2683}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "38 " and name "HA ")
ASSI { 2678}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "7 " and name "HD12")
4.000 2.000 2.000 peak 2678 weight 0.10000E+01 volume 0.23900E+00 ppm1 7.413 ppm2 0.488
OR { 2678}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "85 " and name "HG12")
OR { 2678}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "7 " and name "HD11")
OR { 2678}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "85 " and name "HG11")
OR { 2678}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "85 " and name "HG13")
ASSI { 2672}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "28 " and name "HA ")
3.100 1.200 1.200 peak 2672 weight 0.10000E+01 volume 0.61200E+00 ppm1 7.415 ppm2 4.282
OR { 2672}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "84 " and name "HA ")
ASSI { 2667}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "29 " and name "HA ")
2.500 0.800 0.800 peak 2667 weight 0.10000E+01 volume 0.20620E+01 ppm1 7.416 ppm2 4.549
OR { 2667}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "27 " and name "HA ")
ASSI { 2673}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "29 " and name "HG2 ")
3.100 1.200 1.200 peak 2673 weight 0.10000E+01 volume 0.78800E+00 ppm1 7.415 ppm2 1.866
OR { 2673}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "29 " and name "HG1 ")
OR { 2673}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "37 " and name "HG1 ")
OR { 2673}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "29 " and name "HB2 ")
ASSI { 2677}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "44 " and name "HN ")
3.300 1.400 1.400 peak 2677 weight 0.10000E+01 volume 0.35600E+00 ppm1 7.417 ppm2 8.809
OR { 2677}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "27 " and name "HN ")
ASSI { 2669}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "27 " and name "HB2 ")
2.800 1.000 1.000 peak 2669 weight 0.10000E+01 volume 0.18000E+01 ppm1 7.415 ppm2 1.397
OR { 2669}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "37 " and name "HB2 ")
OR { 2669}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "27 " and name "HB1 ")
ASSI { 2670}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "28 " and name "HD13")
3.000 1.100 1.100 peak 2670 weight 0.10000E+01 volume 0.11780E+01 ppm1 7.413 ppm2 0.795
OR { 2670}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "84 " and name "HG21")
OR { 2670}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "28 " and name "HD11")
OR { 2670}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "84 " and name "HG23")
OR { 2670}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "28 " and name "HD22")
OR { 2670}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "41 " and name "HG22")
OR { 2670}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "28 " and name "HD12")
OR { 2670}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "28 " and name "HD21")
ASSI { 2614}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "29 " and name "HG2 ")
3.200 1.300 1.300 peak 2614 weight 0.10000E+01 volume 0.61200E+00 ppm1 7.416 ppm2 2.132
OR { 2614}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "29 " and name "HG1 ")
OR { 2614}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "84 " and name "HB ")
ASSI { 3339}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "81 " and name "HB2 ")
3.100 1.200 1.200 peak 3339 weight 0.10000E+01 volume 0.84600E+00 ppm1 7.668 ppm2 1.837
OR { 3339}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "37 " and name "HG1 ")
ASSI { 3344}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "84 " and name "HG22")
3.500 1.500 1.500 peak 3344 weight 0.10000E+01 volume 0.41000E+00 ppm1 7.671 ppm2 0.797
OR { 3344}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "59 " and name "HB2 ")
OR { 3344}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "85 " and name "HG22")
OR { 3344}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "84 " and name "HG23")
OR { 3344}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "85 " and name "HG23")
ASSI { 2531}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "15 " and name "HA ")
3.100 1.200 1.200 peak 2531 weight 0.10000E+01 volume 0.57600E+00 ppm1 7.836 ppm2 4.725
OR { 2531}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "18 " and name "HA ")
ASSI { 3356}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "81 " and name "HB2 ")
3.200 1.300 1.300 peak 3356 weight 0.10000E+01 volume 0.73500E+00 ppm1 7.260 ppm2 1.840
OR { 3356}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "37 " and name "HG1 ")
ASSI { 3353}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "84 " and name "HB ")
2.800 1.000 1.000 peak 3353 weight 0.10000E+01 volume 0.12620E+01 ppm1 7.261 ppm2 2.125
OR { 3353}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "81 " and name "HB1 ")
ASSI { 3360}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "79 " and name "HD1 ")
4.200 2.200 1.800 peak 3360 weight 0.10000E+01 volume 0.24000E+00 ppm1 7.257 ppm2 6.921
OR { 3360}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "80 " and name "HD1 ")
OR { 3360}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "80 " and name "HE1 ")
ASSI { 3350}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "84 " and name "HG11")
2.700 0.900 0.900 peak 3350 weight 0.10000E+01 volume 0.17360E+01 ppm1 7.264 ppm2 1.624
OR { 3350}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "37 " and name "HG2 ")
ASSI { 2754}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "45 " and name "HB1 ")
3.600 1.600 1.600 peak 2754 weight 0.10000E+01 volume 0.31100E+00 ppm1 8.727 ppm2 2.118
OR { 2754}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "1 " and name "HB2 ")
OR { 2754}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "1 " and name "HB1 ")
ASSI { 2756}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "29 " and name "HN ")
3.700 1.700 1.700 peak 2756 weight 0.10000E+01 volume 0.17800E+00 ppm1 8.723 ppm2 7.391
OR { 2756}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "35 " and name "HN ")
ASSI { 3022}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "58 " and name "HG2 ")
2.800 1.000 1.000 peak 3022 weight 0.10000E+01 volume 0.11610E+01 ppm1 7.420 ppm2 1.311
OR { 3022}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "54 " and name "HG1 ")
OR { 3022}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "54 " and name "HG2 ")
ASSI { 3018}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "58 " and name "HG2 ")
2.700 0.900 0.900 peak 3018 weight 0.10000E+01 volume 0.15840E+01 ppm1 7.419 ppm2 1.438
OR { 3018}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "54 " and name "HB2 ")
OR { 3018}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "54 " and name "HG1 ")
ASSI { 3027}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "53 " and name "HD22")
3.900 1.900 1.900 peak 3027 weight 0.10000E+01 volume 0.24700E+00 ppm1 7.418 ppm2 0.777
OR { 3027}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "12 " and name "HD13")
OR { 3027}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "53 " and name "HD21")
OR { 3027}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "59 " and name "HD13")
OR { 3027}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "59 " and name "HB2 ")
OR { 3027}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "53 " and name "HD23")
OR { 3027}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "59 " and name "HD11")
ASSI { 3031}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "10 " and name "HN ")
3.600 1.600 1.600 peak 3031 weight 0.10000E+01 volume 0.20500E+00 ppm1 7.430 ppm2 7.816
OR { 3031}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "57 " and name "HN ")
ASSI { 2786}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "79 " and name "HD1 ")
4.000 2.000 2.000 peak 2786 weight 0.10000E+01 volume 0.24600E+00 ppm1 8.443 ppm2 6.907
OR { 2786}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "38 " and name "HE1 ")
OR { 2786}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "37 " and name "HE ")
OR { 2786}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "38 " and name "HE2 ")
ASSI { 2774}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "38 " and name "HD1 ")
2.900 1.100 1.100 peak 2774 weight 0.10000E+01 volume 0.17020E+01 ppm1 8.440 ppm2 7.355
OR { 2774}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "35 " and name "HN ")
OR { 2774}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "38 " and name "HD2 ")
ASSI { 2785}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "39 " and name "HN ")
3.500 1.500 1.500 peak 2785 weight 0.10000E+01 volume 0.21500E+00 ppm1 8.437 ppm2 9.138
OR { 2785}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "13 " and name "HN ")
ASSI { 3080}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "53 " and name "HD22")
4.400 2.400 1.600 peak 3080 weight 0.10000E+01 volume 0.12200E+00 ppm1 7.324 ppm2 0.758
OR { 3080}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "12 " and name "HD13")
OR { 3080}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "59 " and name "HD21")
OR { 3080}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "53 " and name "HD21")
OR { 3080}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "59 " and name "HD13")
OR { 3080}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "53 " and name "HD23")
OR { 3080}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "59 " and name "HD22")
OR { 3080}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "59 " and name "HD23")
ASSI { 3072}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "55 " and name "HA1 ")
4.000 2.000 2.000 peak 3072 weight 0.10000E+01 volume 0.11100E+00 ppm1 7.326 ppm2 3.995
OR { 3072}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "59 " and name "HA ")
OR { 3072}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "55 " and name "HA1 ")
ASSI { 3069}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "57 " and name "HA1 ")
3.100 1.200 1.200 peak 3069 weight 0.10000E+01 volume 0.54500E+00 ppm1 7.329 ppm2 4.723
OR { 3069}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "54 " and name "HA ")
ASSI { 3058}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "58 " and name "HG1 ")
2.500 0.800 0.800 peak 3058 weight 0.10000E+01 volume 0.26620E+01 ppm1 7.327 ppm2 1.743
OR { 3058}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "8 " and name "HB1 ")
OR { 3058}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "8 " and name "HB3 ")
ASSI { 3070}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "55 " and name "HN ")
3.300 1.400 1.400 peak 3070 weight 0.10000E+01 volume 0.33600E+00 ppm1 7.327 ppm2 9.146
OR { 3070}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "56 " and name "HN ")
ASSI { 3063}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "58 " and name "HB2 ")
2.500 0.800 0.800 peak 3063 weight 0.10000E+01 volume 0.23620E+01 ppm1 7.328 ppm2 1.929
OR { 3063}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "54 " and name "HB1 ")
ASSI { 3055}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "53 " and name "HA ")
2.400 0.700 0.700 peak 3055 weight 0.10000E+01 volume 0.23320E+01 ppm1 7.327 ppm2 4.300
OR { 3055}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "58 " and name "HA ")
ASSI { 3104}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "7 " and name "HB1 ")
3.700 1.700 1.700 peak 3104 weight 0.10000E+01 volume 0.25100E+00 ppm1 8.661 ppm2 1.083
OR { 3104}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "53 " and name "HB2 ")
ASSI { 3111}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "58 " and name "HG2 ")
4.400 2.400 1.600 peak 3111 weight 0.10000E+01 volume 0.86000E-01 ppm1 8.667 ppm2 1.434
OR { 3111}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "82 " and name "HB1 ")
ASSI { 3103}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "58 " and name "HG1 ")
3.800 1.800 1.800 peak 3103 weight 0.10000E+01 volume 0.22400E+00 ppm1 8.666 ppm2 1.751
OR { 3103}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "53 " and name "HG ")
OR { 3103}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "82 " and name "HB2 ")
ASSI { 3101}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "58 " and name "HN ")
3.500 1.500 1.500 peak 3101 weight 0.10000E+01 volume 0.29400E+00 ppm1 8.664 ppm2 7.346
OR { 3101}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "60 " and name "HE2 ")
ASSI { 3100}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "61 " and name "HB1 ")
3.800 1.800 1.800 peak 3100 weight 0.10000E+01 volume 0.19700E+00 ppm1 8.664 ppm2 3.212
OR { 3100}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "58 " and name "HD2 ")
OR { 3100}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "58 " and name "HD1 ")
ASSI { 3102}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "59 " and name "HG ")
3.700 1.700 1.700 peak 3102 weight 0.10000E+01 volume 0.25800E+00 ppm1 8.659 ppm2 1.280
OR { 3102}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "25 " and name "HB1 ")
ASSI { 3099}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "59 " and name "HB2 ")
3.100 1.200 1.200 peak 3099 weight 0.10000E+01 volume 0.78700E+00 ppm1 8.665 ppm2 0.806
OR { 3099}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "53 " and name "HD22")
OR { 3099}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "53 " and name "HD23")
ASSI { 2585}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "25 " and name "HN ")
3.700 1.700 1.700 peak 2585 weight 0.10000E+01 volume 0.15800E+00 ppm1 8.558 ppm2 9.440
OR { 2585}
(segid " " and resid "79 " and name "HN ")
(segid " " and resid "63 " and name "HN ")
ASSI { 2584}
(segid " " and resid "79 " and name "HN ")
(segid " " and resid "37 " and name "HD2 ")
3.900 1.900 1.900 peak 2584 weight 0.10000E+01 volume 0.16500E+00 ppm1 8.562 ppm2 2.522
OR { 2584}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "49 " and name "HB ")
OR { 2584}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "87 " and name "HG1 ")
ASSI { 2573}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "23 " and name "HA ")
2.300 0.700 0.700 peak 2573 weight 0.10000E+01 volume 0.28400E+01 ppm1 8.561 ppm2 4.916
OR { 2573}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "24 " and name "HA ")
ASSI { 2575}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "89 " and name "HN ")
2.800 1.000 1.000 peak 2575 weight 0.10000E+01 volume 0.84900E+00 ppm1 8.563 ppm2 7.653
OR { 2575}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "23 " and name "HN ")
ASSI { 2576}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "24 " and name "HB2 ")
2.800 1.000 1.000 peak 2576 weight 0.10000E+01 volume 0.11450E+01 ppm1 8.561 ppm2 1.934
OR { 2576}
(segid " " and resid "79 " and name "HN ")
(segid " " and resid "79 " and name "HB2 ")
ASSI { 2582}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "24 " and name "HG1 ")
3.100 1.200 1.200 peak 2582 weight 0.10000E+01 volume 0.66000E+00 ppm1 8.564 ppm2 2.189
OR { 2582}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "58 " and name "HB1 ")
OR { 2582}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "87 " and name "HG2 ")
ASSI { 2579}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "91 " and name "HN ")
3.000 1.100 1.100 peak 2579 weight 0.10000E+01 volume 0.63600E+00 ppm1 8.566 ppm2 9.051
OR { 2579}
(segid " " and resid "79 " and name "HN ")
(segid " " and resid "39 " and name "HN ")
ASSI { 2244}
(segid " " and resid "79 " and name "HN ")
(segid " " and resid "39 " and name "HD11")
4.300 2.300 1.700 peak 2244 weight 0.10000E+01 volume 0.13100E+00 ppm1 8.555 ppm2 1.030
OR { 2244}
(segid " " and resid "79 " and name "HN ")
(segid " " and resid "39 " and name "HD12")
OR { 2244}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "90 " and name "HG21")
OR { 2244}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "90 " and name "HG23")
OR { 2244}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "90 " and name "HG22")
ASSI { 2457}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "11 " and name "HE2 ")
4.500 2.500 1.500 peak 2457 weight 0.10000E+01 volume 0.76000E-01 ppm1 9.368 ppm2 3.115
OR { 2457}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "10 " and name "HD2 ")
OR { 2457}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 2454}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "53 " and name "HA ")
3.700 1.700 1.700 peak 2454 weight 0.10000E+01 volume 0.18300E+00 ppm1 9.375 ppm2 4.405
OR { 2454}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "98 " and name "HA ")
OR { 2454}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "100 " and name "HA ")
ASSI { 2444}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "11 " and name "HB1 ")
2.600 0.800 0.800 peak 2444 weight 0.10000E+01 volume 0.20250E+01 ppm1 9.368 ppm2 1.563
OR { 2444}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "10 " and name "HB2 ")
OR { 2444}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "11 " and name "HB2 ")
ASSI { 3411}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "87 " and name "HB2 ")
3.000 1.100 1.100 peak 3411 weight 0.10000E+01 volume 0.75600E+00 ppm1 7.657 ppm2 2.122
OR { 3411}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "89 " and name "HG2 ")
OR { 3411}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "87 " and name "HG2 ")
ASSI { 2449}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "10 " and name "HN ")
3.200 1.300 1.300 peak 2449 weight 0.10000E+01 volume 0.36300E+00 ppm1 9.368 ppm2 7.841
OR { 2449}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "100 " and name "HN ")
ASSI { 3407}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "102 " and name "HN ")
2.700 0.900 0.900 peak 3407 weight 0.10000E+01 volume 0.10250E+01 ppm1 7.658 ppm2 8.561
OR { 3407}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "24 " and name "HN ")
ASSI { 3409}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "104 " and name "HA ")
2.800 1.000 1.000 peak 3409 weight 0.10000E+01 volume 0.94900E+00 ppm1 7.659 ppm2 4.221
OR { 3409}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "87 " and name "HA ")
ASSI { 3416}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "26 " and name "HG13")
4.200 2.200 1.800 peak 3416 weight 0.10000E+01 volume 0.16100E+00 ppm1 7.657 ppm2 0.801
OR { 3416}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "91 " and name "HD12")
OR { 3416}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "91 " and name "HD11")
OR { 3416}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "26 " and name "HG12")
OR { 3416}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "26 " and name "HG11")
ASSI { 2458}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "10 " and name "HE ")
4.000 2.000 2.000 peak 2458 weight 0.10000E+01 volume 0.12600E+00 ppm1 9.365 ppm2 8.310
OR { 2458}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "53 " and name "HN ")
OR { 2458}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "97 " and name "HN ")
ASSI { 3415}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "25 " and name "HB2 ")
3.800 1.800 1.800 peak 3415 weight 0.10000E+01 volume 0.26500E+00 ppm1 7.659 ppm2 1.189
OR { 3415}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "25 " and name "HB1 ")
OR { 3415}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "25 " and name "HB3 ")
OR { 3415}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "102 " and name "HD1 ")
OR { 3415}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "102 " and name "HD2 ")
ASSI { 3410}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "89 " and name "HG1 ")
3.000 1.100 1.100 peak 3410 weight 0.10000E+01 volume 0.88500E+00 ppm1 7.658 ppm2 2.205
OR { 3410}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "89 " and name "HG2 ")
OR { 3410}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "87 " and name "HG2 ")
ASSI { 3418}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "102 " and name "HA ")
3.700 1.700 1.700 peak 3418 weight 0.10000E+01 volume 0.18200E+00 ppm1 7.657 ppm2 4.023
OR { 3418}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "90 " and name "HA ")
ASSI { 2814}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "41 " and name "HA ")
3.900 1.900 1.900 peak 2814 weight 0.10000E+01 volume 0.14100E+00 ppm1 7.821 ppm2 4.464
OR { 2814}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "32 " and name "HA ")
ASSI { 2789}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "65 " and name "HG11")
3.900 1.900 1.900 peak 2789 weight 0.10000E+01 volume 0.24900E+00 ppm1 7.816 ppm2 1.013
OR { 2789}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "39 " and name "HD13")
OR { 2789}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "39 " and name "HD12")
OR { 2789}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "39 " and name "HD11")
OR { 2789}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "65 " and name "HG12")
ASSI { 2811}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "41 " and name "HN ")
3.300 1.400 1.400 peak 2811 weight 0.10000E+01 volume 0.35400E+00 ppm1 7.816 ppm2 9.130
OR { 2811}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "39 " and name "HN ")
ASSI { 3555}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "101 " and name "HB2 ")
2.800 1.000 1.000 peak 3555 weight 0.10000E+01 volume 0.12480E+01 ppm1 8.490 ppm2 2.627
OR { 3555}
(segid " " and resid "79 " and name "HN ")
(segid " " and resid "79 " and name "HB1 ")
ASSI { 3583}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "101 " and name "HB1 ")
3.300 1.400 1.400 peak 3583 weight 0.10000E+01 volume 0.47300E+00 ppm1 7.654 ppm2 3.079
OR { 3583}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "103 " and name "HB1 ")
OR { 3583}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "106 " and name "HB1 ")
OR { 3583}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "106 " and name "HB2 ")
ASSI { 3584}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "105 " and name "HD2 ")
4.300 2.300 1.700 peak 3584 weight 0.10000E+01 volume 0.22300E+00 ppm1 7.656 ppm2 7.076
OR { 3584}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "103 " and name "HD1 ")
OR { 3584}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "105 " and name "HD1 ")
ASSI { 3580}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "104 " and name "HA ")
2.700 0.900 0.900 peak 3580 weight 0.10000E+01 volume 0.12650E+01 ppm1 7.657 ppm2 4.304
OR { 3580}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "103 " and name "HA ")
ASSI { 3578}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "105 " and name "HN ")
2.400 0.700 0.700 peak 3578 weight 0.10000E+01 volume 0.21100E+01 ppm1 7.657 ppm2 7.463
OR { 3578}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "103 " and name "HN ")
ASSI { 3590}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "101 " and name "HB1 ")
4.100 2.100 1.900 peak 3590 weight 0.10000E+01 volume 0.12900E+00 ppm1 7.654 ppm2 2.936
OR { 3590}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "106 " and name "HB2 ")
OR { 3590}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "105 " and name "HB1 ")
ASSI { 2523}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "16 " and name "HE21")
3.800 1.800 1.800 peak 2523 weight 0.10000E+01 volume 0.14200E+00 ppm1 8.998 ppm2 7.599
OR { 2523}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "15 " and name "HN ")
ASSI { 2484}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "96 " and name "HB ")
3.100 1.200 1.200 peak 2484 weight 0.10000E+01 volume 0.67100E+00 ppm1 9.173 ppm2 1.601
OR { 2484}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "12 " and name "HB2 ")
ASSI { 2488}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "95 " and name "HN ")
3.800 1.800 1.800 peak 2488 weight 0.10000E+01 volume 0.14000E+00 ppm1 9.173 ppm2 7.591
OR { 2488}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "15 " and name "HN ")
ASSI { 2480}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "13 " and name "HA ")
2.700 0.900 0.900 peak 2480 weight 0.10000E+01 volume 0.11160E+01 ppm1 9.175 ppm2 5.074
OR { 2480}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "97 " and name "HA ")
ASSI { 2479}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "12 " and name "HD21")
2.900 1.100 1.100 peak 2479 weight 0.10000E+01 volume 0.14020E+01 ppm1 9.173 ppm2 0.718
OR { 2479}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "12 " and name "HD22")
OR { 2479}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "96 " and name "HG13")
OR { 2479}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "12 " and name "HD23")
OR { 2479}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "96 " and name "HG12")
ASSI { 2486}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "13 " and name "HB1 ")
3.300 1.400 1.400 peak 2486 weight 0.10000E+01 volume 0.47400E+00 ppm1 9.174 ppm2 4.090
OR { 2486}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "96 " and name "HA ")
ASSI { 3566}
(segid " " and resid "103 " and name "HN ")
(segid " " and resid "101 " and name "HB1 ")
2.700 0.900 0.900 peak 3566 weight 0.10000E+01 volume 0.14010E+01 ppm1 7.446 ppm2 3.087
OR { 3566}
(segid " " and resid "103 " and name "HN ")
(segid " " and resid "103 " and name "HB1 ")
ASSI { 2634}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "27 " and name "HA ")
3.800 1.800 1.800 peak 2634 weight 0.10000E+01 volume 0.14500E+00 ppm1 8.404 ppm2 4.498
OR { 2634}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "46 " and name "HA ")
ASSI { 2631}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "25 " and name "HN ")
3.500 1.500 1.500 peak 2631 weight 0.10000E+01 volume 0.23600E+00 ppm1 8.401 ppm2 9.417
OR { 2631}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "87 " and name "HN ")
ASSI { 2628}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "85 " and name "HG12")
3.700 1.700 1.700 peak 2628 weight 0.10000E+01 volume 0.34200E+00 ppm1 8.406 ppm2 0.489
OR { 2628}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "85 " and name "HG13")
OR { 2628}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "47 " and name "HG21")
OR { 2628}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "85 " and name "HG11")
ASSI { 2627}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "101 " and name "HN ")
3.000 1.100 1.100 peak 2627 weight 0.10000E+01 volume 0.60000E+00 ppm1 8.404 ppm2 9.043
OR { 2627}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "88 " and name "HN ")
OR { 2627}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "47 " and name "HN ")
ASSI { 2633}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "49 " and name "HG21")
4.200 2.200 1.800 peak 2633 weight 0.10000E+01 volume 0.15200E+00 ppm1 8.403 ppm2 1.029
OR { 2633}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "46 " and name "HG23")
OR { 2633}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "49 " and name "HG22")
OR { 2633}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "49 " and name "HG23")
OR { 2633}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "46 " and name "HG22")
OR { 2633}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "46 " and name "HG21")
ASSI { 2636}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "87 " and name "HG2 ")
4.100 2.100 1.900 peak 2636 weight 0.10000E+01 volume 0.12100E+00 ppm1 8.403 ppm2 2.129
OR { 2636}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "24 " and name "HG2 ")
OR { 2636}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "87 " and name "HB2 ")
OR { 2636}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "87 " and name "HB1 ")
ASSI { 2414}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "37 " and name "HE ")
4.700 2.800 1.300 peak 2414 weight 0.10000E+01 volume 0.11500E+00 ppm1 8.281 ppm2 6.752
OR { 2414}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "105 " and name "HZ ")
ASSI { 2402}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "6 " and name "HG1 ")
2.500 0.800 0.800 peak 2402 weight 0.10000E+01 volume 0.24720E+01 ppm1 8.276 ppm2 1.603
OR { 2402}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "5 " and name "HB2 ")
ASSI { 2409}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "5 " and name "HG2 ")
3.800 1.800 1.800 peak 2409 weight 0.10000E+01 volume 0.19700E+00 ppm1 8.276 ppm2 1.856
OR { 2409}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "4 " and name "HB2 ")
ASSI { 2430}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "8 " and name "HB1 ")
2.500 0.800 0.800 peak 2430 weight 0.10000E+01 volume 0.26480E+01 ppm1 7.820 ppm2 1.706
OR { 2430}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "76 " and name "HB2 ")
OR { 2430}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "10 " and name "HG1 ")
ASSI { 2436}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "100 " and name "HG22")
3.300 1.400 1.400 peak 2436 weight 0.10000E+01 volume 0.61500E+00 ppm1 7.820 ppm2 0.933
OR { 2436}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "53 " and name "HD11")
OR { 2436}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "100 " and name "HG23")
OR { 2436}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "100 " and name "HG21")
OR { 2436}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "39 " and name "HD23")
OR { 2436}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "39 " and name "HD21")
ASSI { 2434}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "76 " and name "HA ")
3.000 1.100 1.100 peak 2434 weight 0.10000E+01 volume 0.68600E+00 ppm1 7.816 ppm2 4.284
OR { 2434}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "75 " and name "HA ")
ASSI { 2441}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "54 " and name "HB2 ")
3.400 1.400 1.400 peak 2441 weight 0.10000E+01 volume 0.40400E+00 ppm1 7.818 ppm2 1.429
OR { 2441}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "54 " and name "HG1 ")
OR { 2441}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "77 " and name "HB1 ")
ASSI { 2262}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "77 " and name "HA ")
3.500 1.500 1.500 peak 2262 weight 0.10000E+01 volume 0.27200E+00 ppm1 7.818 ppm2 4.607
OR { 2262}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "99 " and name "HA ")
ASSI { 3284}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "10 " and name "HB2 ")
2.800 1.000 1.000 peak 3284 weight 0.10000E+01 volume 0.13370E+01 ppm1 7.891 ppm2 1.547
OR { 3284}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "76 " and name "HG2 ")
ASSI { 3290}
(segid " " and resid "69 " and name "HN ")
(segid " " and resid "67 " and name "HA1 ")
4.000 2.000 2.000 peak 3290 weight 0.10000E+01 volume 0.12700E+00 ppm1 7.893 ppm2 3.810
OR { 3290}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "55 " and name "HA2 ")
OR { 3290}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "64 " and name "HB2 ")
OR { 3290}
(segid " " and resid "69 " and name "HN ")
(segid " " and resid "67 " and name "HA2 ")
ASSI { 3198}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "67 " and name "HA1 ")
2.400 0.700 0.700 peak 3198 weight 0.10000E+01 volume 0.24710E+01 ppm1 8.111 ppm2 3.898
OR { 3198}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "71 " and name "HA1 ")
ASSI { 3203}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "67 " and name "HA2 ")
2.500 0.800 0.800 peak 3203 weight 0.10000E+01 volume 0.20910E+01 ppm1 8.111 ppm2 3.790
OR { 3203}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "71 " and name "HA2 ")
ASSI { 3212}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "46 " and name "HG22")
4.200 2.200 1.800 peak 3212 weight 0.10000E+01 volume 0.16000E+00 ppm1 8.114 ppm2 1.037
OR { 3212}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "65 " and name "HG21")
OR { 3212}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "46 " and name "HG23")
OR { 3212}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "65 " and name "HG22")
OR { 3212}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "65 " and name "HG23")
OR { 3212}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "65 " and name "HG22")
OR { 3212}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "65 " and name "HG23")
OR { 3212}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "65 " and name "HG11")
OR { 3212}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "65 " and name "HG21")
ASSI { 3209}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "68 " and name "HA ")
2.600 0.800 0.800 peak 3209 weight 0.10000E+01 volume 0.15750E+01 ppm1 8.107 ppm2 4.620
OR { 3209}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "72 " and name "HA ")
ASSI { 3211}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "44 " and name "HA1 ")
3.300 1.400 1.400 peak 3211 weight 0.10000E+01 volume 0.38700E+00 ppm1 8.113 ppm2 4.434
OR { 3211}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "66 " and name "HA ")
ASSI { 3200}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "72 " and name "HB2 ")
2.300 0.700 0.700 peak 3200 weight 0.10000E+01 volume 0.38670E+01 ppm1 8.112 ppm2 2.631
OR { 3200}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "68 " and name "HB2 ")
OR { 3200}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "68 " and name "HB1 ")
ASSI { 3216}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "73 " and name "HB2 ")
4.000 2.000 2.000 peak 3216 weight 0.10000E+01 volume 0.15500E+00 ppm1 8.120 ppm2 1.572
OR { 3216}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "73 " and name "HB1 ")
OR { 3216}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "41 " and name "HB ")
OR { 3216}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "73 " and name "HG ")
ASSI { 3202}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "67 " and name "HA1 ")
2.400 0.700 0.700 peak 3202 weight 0.10000E+01 volume 0.27660E+01 ppm1 8.121 ppm2 3.889
OR { 3202}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "71 " and name "HA1 ")
OR { 3202}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "67 " and name "HA2 ")
ASSI { 3213}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "14 " and name "HB3 ")
4.200 2.200 1.800 peak 3213 weight 0.10000E+01 volume 0.14300E+00 ppm1 8.129 ppm2 1.277
OR { 3213}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "14 " and name "HB2 ")
OR { 3213}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "14 " and name "HB1 ")
OR { 3213}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "74 " and name "HB1 ")
OR { 3213}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "74 " and name "HB2 ")
ASSI { 3226}
(segid " " and resid "69 " and name "HN ")
(segid " " and resid "69 " and name "HE1 ")
4.600 2.600 1.400 peak 3226 weight 0.10000E+01 volume 0.13700E+00 ppm1 7.927 ppm2 6.700
OR { 3226}
(segid " " and resid "69 " and name "HN ")
(segid " " and resid "69 " and name "HE2 ")
OR { 3226}
(segid " " and resid "69 " and name "HN ")
(segid " " and resid "70 " and name "HE2 ")
ASSI { 3224}
(segid " " and resid "69 " and name "HN ")
(segid " " and resid "67 " and name "HA1 ")
3.700 1.700 1.700 peak 3224 weight 0.10000E+01 volume 0.20500E+00 ppm1 7.923 ppm2 3.840
OR { 3224}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "64 " and name "HB1 ")
OR { 3224}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "64 " and name "HB2 ")
OR { 3224}
(segid " " and resid "69 " and name "HN ")
(segid " " and resid "67 " and name "HA2 ")
ASSI { 2977}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "85 " and name "HG12")
3.000 1.100 1.100 peak 2977 weight 0.10000E+01 volume 0.11010E+01 ppm1 8.599 ppm2 0.493
OR { 2977}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "22 " and name "HD12")
OR { 2977}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "22 " and name "HD11")
OR { 2977}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "22 " and name "HD13")
ASSI { 2976}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "86 " and name "HB2 ")
2.700 0.900 0.900 peak 2976 weight 0.10000E+01 volume 0.14570E+01 ppm1 8.599 ppm2 1.621
OR { 2976}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "11 " and name "HB2 ")
ASSI { 2970}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "85 " and name "HB ")
2.400 0.700 0.700 peak 2970 weight 0.10000E+01 volume 0.35760E+01 ppm1 8.598 ppm2 1.814
OR { 2970}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "86 " and name "HB1 ")
ASSI { 2974}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "85 " and name "HG21")
2.700 0.900 0.900 peak 2974 weight 0.10000E+01 volume 0.19780E+01 ppm1 8.598 ppm2 0.825
OR { 2974}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "85 " and name "HG22")
OR { 2974}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "85 " and name "HG23")
OR { 2974}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "28 " and name "HD23")
OR { 2974}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "28 " and name "HD21")
OR { 2974}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "28 " and name "HD22")
ASSI { 2990}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "28 " and name "HN ")
3.400 1.400 1.400 peak 2990 weight 0.10000E+01 volume 0.26300E+00 ppm1 8.599 ppm2 9.754
OR { 2990}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "61 " and name "HE1 ")
ASSI { 2996}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "85 " and name "HN ")
3.900 1.900 1.900 peak 2996 weight 0.10000E+01 volume 0.13900E+00 ppm1 8.594 ppm2 7.514
OR { 2996}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "61 " and name "HD1 ")
ASSI { 2991}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "87 " and name "HN ")
3.500 1.500 1.500 peak 2991 weight 0.10000E+01 volume 0.23900E+00 ppm1 8.600 ppm2 9.367
OR { 2991}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "62 " and name "HN ")
ASSI { 2902}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "43 " and name "HN ")
3.800 1.800 1.800 peak 2902 weight 0.10000E+01 volume 0.14300E+00 ppm1 8.085 ppm2 8.996
OR { 2902}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "47 " and name "HN ")
ASSI { 2900}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "47 " and name "HG21")
4.200 2.200 1.800 peak 2900 weight 0.10000E+01 volume 0.14500E+00 ppm1 8.080 ppm2 0.484
OR { 2900}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "47 " and name "HG23")
OR { 2900}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "47 " and name "HG22")
OR { 2900}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "22 " and name "HD11")
OR { 2900}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "22 " and name "HD13")
ASSI { 2899}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "46 " and name "HG22")
4.000 2.000 2.000 peak 2899 weight 0.10000E+01 volume 0.21100E+00 ppm1 8.087 ppm2 1.029
OR { 2899}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "65 " and name "HG21")
OR { 2899}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "21 " and name "HB2 ")
OR { 2899}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "65 " and name "HG22")
OR { 2899}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "65 " and name "HG23")
OR { 2899}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "65 " and name "HG22")
OR { 2899}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "65 " and name "HG23")
OR { 2899}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "65 " and name "HG11")
OR { 2899}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "65 " and name "HG21")
ASSI { 2898}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "26 " and name "HG22")
3.800 1.800 1.800 peak 2898 weight 0.10000E+01 volume 0.29000E+00 ppm1 8.086 ppm2 0.850
OR { 2898}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "26 " and name "HG21")
OR { 2898}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "26 " and name "HG23")
OR { 2898}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "73 " and name "HD11")
ASSI { 2894}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "44 " and name "HA2 ")
3.100 1.200 1.200 peak 2894 weight 0.10000E+01 volume 0.56300E+00 ppm1 8.080 ppm2 3.488
OR { 2894}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "19 " and name "HB1 ")
ASSI { 2893}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "19 " and name "HA ")
2.900 1.100 1.100 peak 2893 weight 0.10000E+01 volume 0.85800E+00 ppm1 8.084 ppm2 4.392
OR { 2893}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "44 " and name "HA1 ")
OR { 2893}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "66 " and name "HA ")
ASSI { 2426}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "62 " and name "HA1 ")
2.900 1.100 1.100 peak 2426 weight 0.10000E+01 volume 0.85900E+00 ppm1 9.273 ppm2 4.725
OR { 2426}
(segid " " and resid "9 " and name "HN ")
(segid " " and resid "9 " and name "HA ")
ASSI { 2427}
(segid " " and resid "9 " and name "HN ")
(segid " " and resid "10 " and name "HG2 ")
3.700 1.700 1.700 peak 2427 weight 0.10000E+01 volume 0.23300E+00 ppm1 9.276 ppm2 1.576
OR { 2427}
(segid " " and resid "9 " and name "HN ")
(segid " " and resid "10 " and name "HB2 ")
OR { 2427}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "52 " and name "HB1 ")
OR { 2427}
(segid " " and resid "9 " and name "HN ")
(segid " " and resid "10 " and name "HG1 ")
ASSI { 2429}
(segid " " and resid "9 " and name "HN ")
(segid " " and resid "100 " and name "HG22")
4.400 2.400 1.600 peak 2429 weight 0.10000E+01 volume 0.10200E+00 ppm1 9.276 ppm2 0.935
OR { 2429}
(segid " " and resid "9 " and name "HN ")
(segid " " and resid "53 " and name "HD11")
OR { 2429}
(segid " " and resid "9 " and name "HN ")
(segid " " and resid "53 " and name "HD12")
OR { 2429}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "53 " and name "HD13")
OR { 2429}
(segid " " and resid "9 " and name "HN ")
(segid " " and resid "100 " and name "HG21")
OR { 2429}
(segid " " and resid "9 " and name "HN ")
(segid " " and resid "100 " and name "HG23")
OR { 2429}
(segid " " and resid "9 " and name "HN ")
(segid " " and resid "53 " and name "HD13")
ASSI { 2461}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "11 " and name "HB2 ")
2.400 0.700 0.700 peak 2461 weight 0.10000E+01 volume 0.29030E+01 ppm1 8.888 ppm2 1.518
OR { 2461}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HB2 ")
ASSI { 2981}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "52 " and name "HB2 ")
3.000 1.100 1.100 peak 2981 weight 0.10000E+01 volume 0.91500E+00 ppm1 8.613 ppm2 1.485
OR { 2981}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "11 " and name "HB2 ")
OR { 2981}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "12 " and name "HB2 ")
ASSI { 2476}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "52 " and name "HB1 ")
3.200 1.300 1.300 peak 2476 weight 0.10000E+01 volume 0.58300E+00 ppm1 8.888 ppm2 1.654
OR { 2476}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "11 " and name "HD2 ")
OR { 2476}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "11 " and name "HD1 ")
ASSI { 2992}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "86 " and name "HA ")
3.100 1.200 1.200 peak 2992 weight 0.10000E+01 volume 0.49000E+00 ppm1 8.607 ppm2 4.829
OR { 2992}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "52 " and name "HA ")
ASSI { 2468}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "53 " and name "HD13")
3.400 1.400 1.400 peak 2468 weight 0.10000E+01 volume 0.51800E+00 ppm1 8.884 ppm2 0.904
OR { 2468}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "53 " and name "HD11")
OR { 2468}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "52 " and name "HD2 ")
OR { 2468}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "53 " and name "HD12")
ASSI { 2462}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "52 " and name "HB2 ")
2.500 0.800 0.800 peak 2462 weight 0.10000E+01 volume 0.24510E+01 ppm1 8.888 ppm2 1.339
OR { 2462}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HB1 ")
OR { 2462}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HG ")
ASSI { 2986}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "86 " and name "HB2 ")
3.100 1.200 1.200 peak 2986 weight 0.10000E+01 volume 0.63400E+00 ppm1 8.614 ppm2 1.645
OR { 2986}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "52 " and name "HB1 ")
ASSI { 2995}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "12 " and name "HD12")
4.000 2.000 2.000 peak 2995 weight 0.10000E+01 volume 0.22200E+00 ppm1 8.621 ppm2 0.722
OR { 2995}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "49 " and name "HG13")
OR { 2995}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "28 " and name "HD23")
OR { 2995}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "49 " and name "HG12")
OR { 2995}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "49 " and name "HG11")
OR { 2995}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "28 " and name "HD21")
OR { 2995}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "28 " and name "HD22")
ASSI { 2469}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "11 " and name "HG2 ")
3.400 1.400 1.400 peak 2469 weight 0.10000E+01 volume 0.40400E+00 ppm1 8.884 ppm2 1.152
OR { 2469}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "52 " and name "HD1 ")
ASSI { 2557}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "19 " and name "HA ")
3.100 1.200 1.200 peak 2557 weight 0.10000E+01 volume 0.56000E+00 ppm1 8.165 ppm2 4.362
OR { 2557}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "44 " and name "HA1 ")
ASSI { 3441}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "96 " and name "HB ")
3.300 1.400 1.400 peak 3441 weight 0.10000E+01 volume 0.48700E+00 ppm1 7.504 ppm2 1.586
OR { 3441}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "95 " and name "HD2 ")
OR { 3441}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "95 " and name "HD1 ")
ASSI { 3463}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "95 " and name "HA ")
2.400 0.700 0.700 peak 3463 weight 0.10000E+01 volume 0.23870E+01 ppm1 7.504 ppm2 4.524
OR { 3463}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "14 " and name "HA ")
ASSI { 2572}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "49 " and name "HB ")
3.900 1.900 1.900 peak 2572 weight 0.10000E+01 volume 0.17000E+00 ppm1 9.127 ppm2 2.517
OR { 2572}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "48 " and name "HB1 ")
ASSI { 3091}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "57 " and name "HA2 ")
4.100 2.100 1.900 peak 3091 weight 0.10000E+01 volume 0.10900E+00 ppm1 7.948 ppm2 3.542
OR { 3091}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "3 " and name "HD1 ")
ASSI { 3088}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "5 " and name "HD2 ")
3.700 1.700 1.700 peak 3088 weight 0.10000E+01 volume 0.22000E+00 ppm1 7.946 ppm2 3.231
OR { 3088}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "58 " and name "HD2 ")
OR { 3088}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "58 " and name "HD1 ")
ASSI { 3081}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "58 " and name "HG1 ")
3.000 1.100 1.100 peak 3081 weight 0.10000E+01 volume 0.80300E+00 ppm1 7.949 ppm2 1.745
OR { 3081}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "4 " and name "HB2 ")
ASSI { 3254}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "70 " and name "HE1 ")
4.800 2.900 1.200 peak 3254 weight 0.10000E+01 volume 0.10100E+00 ppm1 8.144 ppm2 6.701
OR { 3254}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "70 " and name "HE2 ")
OR { 3254}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "69 " and name "HE2 ")
ASSI { 3225}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "70 " and name "HB2 ")
2.500 0.800 0.800 peak 3225 weight 0.10000E+01 volume 0.27870E+01 ppm1 8.147 ppm2 2.836
OR { 3225}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "69 " and name "HB1 ")
ASSI { 3242}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "70 " and name "HE2 ")
3.900 1.900 1.900 peak 3242 weight 0.10000E+01 volume 0.40900E+00 ppm1 8.147 ppm2 6.848
OR { 3242}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "69 " and name "HD2 ")
OR { 3242}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "69 " and name "HD1 ")
ASSI { 3124}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "53 " and name "HD23")
4.300 2.300 1.700 peak 3124 weight 0.10000E+01 volume 0.12700E+00 ppm1 8.772 ppm2 0.829
OR { 3124}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "53 " and name "HD22")
OR { 3124}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "85 " and name "HG23")
OR { 3124}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "53 " and name "HD21")
OR { 3124}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "85 " and name "HG21")
ASSI { 3117}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "60 " and name "HB2 ")
3.100 1.200 1.200 peak 3117 weight 0.10000E+01 volume 0.59800E+00 ppm1 8.766 ppm2 2.972
OR { 3117}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "82 " and name "HA ")
ASSI { 3119}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "60 " and name "HD1 ")
3.700 1.700 1.700 peak 3119 weight 0.10000E+01 volume 0.56200E+00 ppm1 8.766 ppm2 6.947
OR { 3119}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "80 " and name "HD1 ")
OR { 3119}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "80 " and name "HE1 ")
ASSI { 3121}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "61 " and name "HE3 ")
4.400 2.400 1.600 peak 3121 weight 0.10000E+01 volume 0.17600E+00 ppm1 8.772 ppm2 7.382
OR { 3121}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "60 " and name "HE1 ")
ASSI { 3115}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "60 " and name "HD1 ")
3.700 1.700 1.700 peak 3115 weight 0.10000E+01 volume 0.56300E+00 ppm1 8.773 ppm2 7.031
OR { 3115}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "80 " and name "HE1 ")
OR { 3115}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "60 " and name "HD2 ")
ASSI { 3246}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "93 " and name "HD1 ")
3.600 1.600 1.600 peak 3246 weight 0.10000E+01 volume 0.24900E+00 ppm1 8.180 ppm2 3.790
OR { 3246}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "71 " and name "HA2 ")
ASSI { 3251}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "93 " and name "HD2 ")
3.900 1.900 1.900 peak 3251 weight 0.10000E+01 volume 0.16700E+00 ppm1 8.179 ppm2 3.578
OR { 3251}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "21 " and name "HD1 ")
ASSI { 3231}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "22 " and name "HG23")
2.900 1.100 1.100 peak 3231 weight 0.10000E+01 volume 0.12980E+01 ppm1 8.176 ppm2 0.775
OR { 3231}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "22 " and name "HG22")
OR { 3231}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "91 " and name "HD12")
OR { 3231}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "91 " and name "HD23")
OR { 3231}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "91 " and name "HD13")
OR { 3231}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "22 " and name "HG21")
ASSI { 3230}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "70 " and name "HA ")
2.400 0.700 0.700 peak 3230 weight 0.10000E+01 volume 0.21920E+01 ppm1 8.173 ppm2 4.342
OR { 3230}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "22 " and name "HA ")
ASSI { 3011}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "52 " and name "HN ")
3.500 1.500 1.500 peak 3011 weight 0.10000E+01 volume 0.23200E+00 ppm1 8.289 ppm2 8.622
OR { 3011}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "60 " and name "HN ")
ASSI { 2399}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "60 " and name "HB2 ")
4.200 2.200 1.800 peak 2399 weight 0.10000E+01 volume 0.11300E+00 ppm1 7.931 ppm2 3.065
OR { 2399}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "106 " and name "HB2 ")
OR { 2399}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "60 " and name "HB1 ")
ASSI { 3531}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "100 " and name "HB ")
2.800 1.000 1.000 peak 3531 weight 0.10000E+01 volume 0.11770E+01 ppm1 9.121 ppm2 4.619
OR { 3531}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "39 " and name "HA ")
ASSI { 2394}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "60 " and name "HB2 ")
4.100 2.100 1.900 peak 2394 weight 0.10000E+01 volume 0.11300E+00 ppm1 7.934 ppm2 2.936
OR { 2394}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "105 " and name "HB1 ")
ASSI { 2397}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "60 " and name "HB2 ")
4.000 2.000 2.000 peak 2397 weight 0.10000E+01 volume 0.14200E+00 ppm1 7.921 ppm2 2.986
OR { 2397}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "105 " and name "HB1 ")
OR { 2397}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "106 " and name "HB2 ")
ASSI { 3533}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "100 " and name "HG23")
3.400 1.400 1.400 peak 3533 weight 0.10000E+01 volume 0.53600E+00 ppm1 9.126 ppm2 0.942
OR { 3533}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "100 " and name "HG21")
OR { 3533}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "39 " and name "HD11")
OR { 3533}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "100 " and name "HG22")
OR { 3533}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "39 " and name "HD12")
ASSI { 2385}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "4 " and name "HB1 ")
2.800 1.000 1.000 peak 2385 weight 0.10000E+01 volume 0.12100E+01 ppm1 7.932 ppm2 1.905
OR { 2385}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "3 " and name "HB2 ")
ASSI { 2386}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "3 " and name "HB1 ")
3.000 1.100 1.100 peak 2386 weight 0.10000E+01 volume 0.82600E+00 ppm1 7.933 ppm2 2.096
OR { 2386}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "58 " and name "HB1 ")
ASSI { 2390}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "106 " and name "HD2 ")
4.100 2.100 1.900 peak 2390 weight 0.10000E+01 volume 0.27800E+00 ppm1 7.934 ppm2 6.790
OR { 2390}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "37 " and name "HE ")
ASSI { 3594}
(segid " " and resid "106 " and name "HN ")
(segid " " and resid "103 " and name "HA ")
3.500 1.500 1.500 peak 3594 weight 0.10000E+01 volume 0.25300E+00 ppm1 7.583 ppm2 4.333
OR { 3594}
(segid " " and resid "106 " and name "HN ")
(segid " " and resid "104 " and name "HA ")
ASSI { 2804}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "40 " and name "HN ")
3.700 1.700 1.700 peak 2804 weight 0.10000E+01 volume 0.15400E+00 ppm1 9.141 ppm2 7.830
OR { 2804}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "100 " and name "HN ")
ASSI { 2794}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "31 " and name "HE1 ")
3.600 1.600 1.600 peak 2794 weight 0.10000E+01 volume 0.64600E+00 ppm1 9.143 ppm2 6.920
OR { 2794}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "80 " and name "HD2 ")
ASSI { 2797}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "38 " and name "HD2 ")
3.600 1.600 1.600 peak 2797 weight 0.10000E+01 volume 0.39000E+00 ppm1 9.145 ppm2 7.358
OR { 2797}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "31 " and name "HD1 ")
OR { 2797}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "103 " and name "HN ")
OR { 2797}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "38 " and name "HD1 ")
ASSI { 2795}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "79 " and name "HN ")
2.900 1.100 1.100 peak 2795 weight 0.10000E+01 volume 0.73000E+00 ppm1 9.144 ppm2 8.481
OR { 2795}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "102 " and name "HN ")
ASSI { 2792}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "39 " and name "HB1 ")
2.900 1.100 1.100 peak 2792 weight 0.10000E+01 volume 0.10520E+01 ppm1 9.145 ppm2 1.623
OR { 2792}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "104 " and name "HB1 ")
ASSI { 2801}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "33 " and name "HA ")
3.900 1.900 1.900 peak 2801 weight 0.10000E+01 volume 0.14400E+00 ppm1 9.141 ppm2 4.028
OR { 2801}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "102 " and name "HA ")
ASSI { 3269}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "71 " and name "HA1 ")
4.000 2.000 2.000 peak 3269 weight 0.10000E+01 volume 0.11600E+00 ppm1 8.110 ppm2 3.886
OR { 3269}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "64 " and name "HB1 ")
OR { 3269}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "64 " and name "HB2 ")
ASSI { 2770}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "37 " and name "HE ")
4.100 2.100 1.900 peak 2770 weight 0.10000E+01 volume 0.18200E+00 ppm1 9.329 ppm2 6.848
OR { 2770}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "79 " and name "HD1 ")
OR { 2770}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "38 " and name "HE2 ")
ASSI { 2764}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "35 " and name "HN ")
3.300 1.400 1.400 peak 2764 weight 0.10000E+01 volume 0.49000E+00 ppm1 9.329 ppm2 7.367
OR { 2764}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "37 " and name "HE ")
OR { 2764}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "38 " and name "HD2 ")
ASSI { 2767}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "37 " and name "HD2 ")
3.700 1.700 1.700 peak 2767 weight 0.10000E+01 volume 0.22300E+00 ppm1 9.324 ppm2 2.545
OR { 2767}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "4 " and name "HG2 ")
ASSI { 2769}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "37 " and name "HD1 ")
4.100 2.100 1.900 peak 2769 weight 0.10000E+01 volume 0.12900E+00 ppm1 9.324 ppm2 3.463
OR { 2769}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "107 " and name "HB1 ")
ASSI { 3273}
(segid " " and resid "75 " and name "HN ")
(segid " " and resid "75 " and name "HB2 ")
2.400 0.700 0.700 peak 3273 weight 0.10000E+01 volume 0.42530E+01 ppm1 7.855 ppm2 1.274
OR { 3273}
(segid " " and resid "75 " and name "HN ")
(segid " " and resid "75 " and name "HB3 ")
OR { 3273}
(segid " " and resid "75 " and name "HN ")
(segid " " and resid "75 " and name "HB1 ")
OR { 3273}
(segid " " and resid "75 " and name "HN ")
(segid " " and resid "74 " and name "HB2 ")
ASSI { 2840}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "43 " and name "HG2 ")
3.100 1.200 1.200 peak 2840 weight 0.10000E+01 volume 0.66500E+00 ppm1 8.994 ppm2 1.314
OR { 2840}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "27 " and name "HB2 ")
ASSI { 3274}
(segid " " and resid "75 " and name "HN ")
(segid " " and resid "75 " and name "HA ")
2.300 0.700 0.700 peak 3274 weight 0.10000E+01 volume 0.36300E+01 ppm1 7.855 ppm2 4.130
OR { 3274}
(segid " " and resid "75 " and name "HN ")
(segid " " and resid "74 " and name "HA ")
ASSI { 3330}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "59 " and name "HA ")
3.800 1.800 1.800 peak 3330 weight 0.10000E+01 volume 0.15200E+00 ppm1 8.658 ppm2 3.988
OR { 3330}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "83 " and name "HA ")
ASSI { 3329}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "80 " and name "HD1 ")
4.100 2.100 1.900 peak 3329 weight 0.10000E+01 volume 0.30000E+00 ppm1 8.655 ppm2 7.016
OR { 3329}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "60 " and name "HD1 ")
OR { 3329}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "60 " and name "HD2 ")
ASSI { 3332}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "82 " and name "HB2 ")
3.200 1.300 1.300 peak 3332 weight 0.10000E+01 volume 0.53500E+00 ppm1 8.658 ppm2 1.889
OR { 3332}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "45 " and name "HB2 ")
ASSI { 3327}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "45 " and name "HB1 ")
3.200 1.300 1.300 peak 3327 weight 0.10000E+01 volume 0.55600E+00 ppm1 8.659 ppm2 2.049
OR { 3327}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "81 " and name "HB1 ")
ASSI { 3331}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "59 " and name "HB2 ")
3.700 1.700 1.700 peak 3331 weight 0.10000E+01 volume 0.25800E+00 ppm1 8.660 ppm2 0.869
OR { 3331}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "41 " and name "HG12")
OR { 3331}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "59 " and name "HB1 ")
OR { 3331}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "85 " and name "HG23")
ASSI { 3431}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "91 " and name "HD12")
4.200 2.200 1.800 peak 3431 weight 0.10000E+01 volume 0.15800E+00 ppm1 9.003 ppm2 0.778
OR { 3431}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "41 " and name "HG22")
OR { 3431}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "41 " and name "HG21")
OR { 3431}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "91 " and name "HD13")
ASSI { 2851}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "42 " and name "HD2 ")
3.900 1.900 1.900 peak 2851 weight 0.10000E+01 volume 0.19600E+00 ppm1 8.756 ppm2 7.211
OR { 2851}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "84 " and name "HN ")
ASSI { 2842}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "42 " and name "HB2 ")
2.700 0.900 0.900 peak 2842 weight 0.10000E+01 volume 0.14290E+01 ppm1 8.756 ppm2 2.866
OR { 2842}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "82 " and name "HA ")
ASSI { 2848}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "81 " and name "HB1 ")
3.500 1.500 1.500 peak 2848 weight 0.10000E+01 volume 0.32300E+00 ppm1 8.758 ppm2 1.964
OR { 2848}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "45 " and name "HB2 ")
ASSI { 2844}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "42 " and name "HA ")
3.000 1.100 1.100 peak 2844 weight 0.10000E+01 volume 0.64000E+00 ppm1 8.753 ppm2 5.255
OR { 2844}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "60 " and name "HA ")
ASSI { 3486}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "12 " and name "HB1 ")
3.100 1.200 1.200 peak 3486 weight 0.10000E+01 volume 0.64100E+00 ppm1 8.542 ppm2 1.268
OR { 3486}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "95 " and name "HG1 ")
OR { 3486}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "95 " and name "HG2 ")
ASSI { 3492}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "97 " and name "HA ")
3.800 1.800 1.800 peak 3492 weight 0.10000E+01 volume 0.14900E+00 ppm1 8.539 ppm2 5.071
OR { 3492}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "13 " and name "HA ")
ASSI { 2914}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "66 " and name "HN ")
3.500 1.500 1.500 peak 2914 weight 0.10000E+01 volume 0.22800E+00 ppm1 8.387 ppm2 8.791
OR { 2914}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "27 " and name "HN ")
ASSI { 3279}
(segid " " and resid "74 " and name "HN ")
(segid " " and resid "69 " and name "HB1 ")
4.200 2.200 1.800 peak 3279 weight 0.10000E+01 volume 0.11100E+00 ppm1 8.093 ppm2 2.794
OR { 3279}
(segid " " and resid "74 " and name "HN ")
(segid " " and resid "72 " and name "HB1 ")
OR { 3279}
(segid " " and resid "74 " and name "HN ")
(segid " " and resid "69 " and name "HB2 ")
ASSI { 2703}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "41 " and name "HG23")
3.300 1.400 1.400 peak 2703 weight 0.10000E+01 volume 0.57700E+00 ppm1 9.144 ppm2 0.679
OR { 2703}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "84 " and name "HD11")
OR { 2703}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "41 " and name "HG22")
OR { 2703}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "41 " and name "HG21")
OR { 2703}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "41 " and name "HG12")
ASSI { 2697}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "30 " and name "HB2 ")
2.600 0.800 0.800 peak 2697 weight 0.10000E+01 volume 0.21920E+01 ppm1 9.144 ppm2 2.638
OR { 2697}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "31 " and name "HB1 ")
OR { 2697}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "30 " and name "HB1 ")
ASSI { 3465}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "12 " and name "HB2 ")
3.900 1.900 1.900 peak 3465 weight 0.10000E+01 volume 0.17200E+00 ppm1 8.489 ppm2 1.486
OR { 3465}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "12 " and name "HB2 ")
OR { 3465}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "52 " and name "HB2 ")
ASSI { 3460}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "95 " and name "HB1 ")
3.500 1.500 1.500 peak 3460 weight 0.10000E+01 volume 0.34600E+00 ppm1 8.486 ppm2 1.916
OR { 3460}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "93 " and name "HG2 ")
ASSI { 3459}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "96 " and name "HB ")
3.600 1.600 1.600 peak 3459 weight 0.10000E+01 volume 0.28300E+00 ppm1 8.483 ppm2 1.649
OR { 3459}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "93 " and name "HB2 ")
ASSI { 3527}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "98 " and name "HN ")
3.400 1.400 1.400 peak 3527 weight 0.10000E+01 volume 0.25500E+00 ppm1 8.511 ppm2 9.304
OR { 3527}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "11 " and name "HN ")
ASSI { 3519}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "99 " and name "HB2 ")
2.500 0.800 0.800 peak 3519 weight 0.10000E+01 volume 0.27550E+01 ppm1 8.515 ppm2 1.821
OR { 3519}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "93 " and name "HB2 ")
OR { 3519}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "98 " and name "HB ")
ASSI { 3600}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "107 " and name "HB1 ")
2.900 1.100 1.100 peak 3600 weight 0.10000E+01 volume 0.95700E+00 ppm1 8.231 ppm2 3.474
OR { 3600}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "2 " and name "HA2 ")
ASSI { 3599}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "2 " and name "HN ")
2.900 1.100 1.100 peak 3599 weight 0.10000E+01 volume 0.69800E+00 ppm1 8.235 ppm2 8.708
OR { 3599}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "78 " and name "HN ")
ASSI { 3613}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "3 " and name "HB1 ")
4.400 2.400 1.600 peak 3613 weight 0.10000E+01 volume 0.94000E-01 ppm1 8.232 ppm2 2.129
OR { 3613}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "108 " and name "HB1 ")
ASSI { 3607}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "108 " and name "HG1 ")
3.900 1.900 1.900 peak 3607 weight 0.10000E+01 volume 0.16000E+00 ppm1 8.234 ppm2 2.517
OR { 3607}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "108 " and name "HG2 ")
OR { 3607}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "1 " and name "HG2 ")
ASSI { 3612}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "4 " and name "HG1 ")
4.200 2.200 1.800 peak 3612 weight 0.10000E+01 volume 0.11500E+00 ppm1 8.230 ppm2 2.708
OR { 3612}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "1 " and name "HG1 ")
OR { 3612}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "105 " and name "HB2 ")
OR { 3612}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "1 " and name "HG2 ")
ASSI { 2374}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "50 " and name "HE1 ")
4.100 2.100 1.900 peak 2374 weight 0.10000E+01 volume 0.25400E+00 ppm1 9.174 ppm2 7.109
OR { 2374}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "80 " and name "HZ ")
ASSI { 2371}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "65 " and name "HG22")
3.700 1.700 1.700 peak 2371 weight 0.10000E+01 volume 0.31200E+00 ppm1 9.178 ppm2 1.011
OR { 2371}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "65 " and name "HG21")
OR { 2371}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "53 " and name "HB2 ")
OR { 2371}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "21 " and name "HB2 ")
OR { 2371}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "65 " and name "HG23")
OR { 2371}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "65 " and name "HG11")
ASSI { 2369}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "65 " and name "HA ")
3.100 1.200 1.200 peak 2369 weight 0.10000E+01 volume 0.48400E+00 ppm1 9.178 ppm2 4.708
OR { 2369}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "54 " and name "HA ")
ASSI { 3185}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "48 " and name "HA ")
3.900 1.900 1.900 peak 3185 weight 0.10000E+01 volume 0.14300E+00 ppm1 8.776 ppm2 4.861
OR { 3185}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "26 " and name "HA ")
ASSI { 3186}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "67 " and name "HA2 ")
3.700 1.700 1.700 peak 3186 weight 0.10000E+01 volume 0.19000E+00 ppm1 8.784 ppm2 3.825
OR { 3186}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "64 " and name "HB1 ")
OR { 3186}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "67 " and name "HA1 ")
OR { 3186}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "64 " and name "HB2 ")
ASSI { 3182}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "67 " and name "HN ")
3.400 1.400 1.400 peak 3182 weight 0.10000E+01 volume 0.29200E+00 ppm1 8.776 ppm2 8.468
OR { 3182}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "46 " and name "HN ")
ASSI { 3174}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "65 " and name "HA ")
2.500 0.800 0.800 peak 3174 weight 0.10000E+01 volume 0.19350E+01 ppm1 8.777 ppm2 4.657
OR { 3174}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "47 " and name "HA ")
ASSI { 3180}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "65 " and name "HN ")
2.800 2.800 2.200 peak 3180 weight 0.10000E+01 volume 0.82400E+00 ppm1 8.778 ppm2 8.966
OR { 3180}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "47 " and name "HN ")
ASSI { 3179}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "66 " and name "HG2 ")
2.900 1.100 1.100 peak 3179 weight 0.10000E+01 volume 0.96000E+00 ppm1 8.775 ppm2 2.350
OR { 3179}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "66 " and name "HG1 ")
OR { 3179}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "65 " and name "HB ")
ASSI { 3299}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "76 " and name "HD1 ")
4.100 2.100 1.900 peak 3299 weight 0.10000E+01 volume 0.13400E+00 ppm1 8.155 ppm2 3.170
OR { 3299}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "106 " and name "HB1 ")
OR { 3299}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "76 " and name "HD2 ")
ASSI { 2937}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "46 " and name "HG12")
3.900 1.900 1.900 peak 2937 weight 0.10000E+01 volume 0.22800E+00 ppm1 8.967 ppm2 0.779
OR { 2937}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "46 " and name "HG11")
OR { 2937}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "46 " and name "HG13")
OR { 2937}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "49 " and name "HG13")
ASSI { 2935}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "63 " and name "HA2 ")
3.700 1.700 1.700 peak 2935 weight 0.10000E+01 volume 0.18800E+00 ppm1 8.969 ppm2 4.730
OR { 2935}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "65 " and name "HA ")
ASSI { 2927}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "46 " and name "HG23")
3.900 1.900 1.900 peak 2927 weight 0.10000E+01 volume 0.21100E+00 ppm1 8.970 ppm2 1.014
OR { 2927}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "21 " and name "HB2 ")
OR { 2927}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "46 " and name "HG22")
OR { 2927}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "46 " and name "HG21")
ASSI { 2932}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "25 " and name "HN ")
3.400 1.400 1.400 peak 2932 weight 0.10000E+01 volume 0.26200E+00 ppm1 8.964 ppm2 9.438
OR { 2932}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "25 " and name "HN ")
ASSI { 2378}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "49 " and name "HB ")
2.600 0.800 0.800 peak 2378 weight 0.10000E+01 volume 0.21290E+01 ppm1 8.970 ppm2 2.507
OR { 2378}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "48 " and name "HB1 ")
ASSI { 2936}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "80 " and name "HZ ")
4.700 2.800 1.300 peak 2936 weight 0.10000E+01 volume 0.12900E+00 ppm1 8.969 ppm2 7.123
OR { 2936}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "50 " and name "HD1 ")
ASSI { 2933}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "48 " and name "HD2 ")
4.500 2.500 1.500 peak 2933 weight 0.10000E+01 volume 0.16000E+00 ppm1 8.973 ppm2 6.940
OR { 2933}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "48 " and name "HD1 ")
OR { 2933}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "80 " and name "HE2 ")
OR { 2933}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "80 " and name "HE1 ")
ASSI { 2934}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "25 " and name "HB1 ")
4.000 2.000 2.000 peak 2934 weight 0.10000E+01 volume 0.18000E+00 ppm1 8.969 ppm2 1.274
OR { 2934}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "25 " and name "HB3 ")
OR { 2934}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "22 " and name "HB ")
OR { 2934}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "25 " and name "HB3 ")
ASSI { 2382}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "108 " and name "HA ")
4.000 2.000 2.000 peak 2382 weight 0.10000E+01 volume 0.11800E+00 ppm1 8.679 ppm2 4.199
OR { 2382}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "3 " and name "HA ")
ASSI { 2921}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "46 " and name "HG23")
3.100 1.200 1.200 peak 2921 weight 0.10000E+01 volume 0.92600E+00 ppm1 8.997 ppm2 0.995
OR { 2921}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "21 " and name "HB2 ")
OR { 2921}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "46 " and name "HG22")
OR { 2921}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "65 " and name "HG21")
OR { 2921}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "46 " and name "HG21")
ASSI { 2926}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "91 " and name "HD21")
3.500 1.500 1.500 peak 2926 weight 0.10000E+01 volume 0.42800E+00 ppm1 8.997 ppm2 0.848
OR { 2926}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "26 " and name "HG11")
OR { 2926}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "26 " and name "HG13")
OR { 2926}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "91 " and name "HD22")
OR { 2926}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "26 " and name "HG21")
OR { 2926}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "26 " and name "HG13")
OR { 2926}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "26 " and name "HG22")
OR { 2926}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "26 " and name "HG12")
OR { 2926}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "26 " and name "HG12")
OR { 2926}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "26 " and name "HG11")
OR { 2926}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "26 " and name "HG23")
ASSI { 2917}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "46 " and name "HA ")
2.100 0.600 0.600 peak 2917 weight 0.10000E+01 volume 0.47830E+01 ppm1 8.990 ppm2 4.495
OR { 2917}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "47 " and name "HA ")
ASSI { 2928}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "46 " and name "HB ")
3.300 1.400 1.400 peak 2928 weight 0.10000E+01 volume 0.47800E+00 ppm1 8.995 ppm2 1.885
OR { 2928}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "89 " and name "HB2 ")
OR { 2928}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "89 " and name "HB1 ")
OR { 2928}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "45 " and name "HB2 ")
OR { 2928}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "24 " and name "HB2 ")
ASSI { 3505}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "12 " and name "HD21")
3.200 1.300 1.300 peak 3505 weight 0.10000E+01 volume 0.79200E+00 ppm1 9.291 ppm2 0.722
OR { 3505}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "12 " and name "HD22")
OR { 3505}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "96 " and name "HG12")
OR { 3505}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "12 " and name "HD23")
ASSI { 3514}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "11 " and name "HG1 ")
3.600 1.600 1.600 peak 3514 weight 0.10000E+01 volume 0.29200E+00 ppm1 9.298 ppm2 1.326
OR { 3514}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "12 " and name "HG ")
ASSI { 3511}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "11 " and name "HB2 ")
3.400 1.400 1.400 peak 3511 weight 0.10000E+01 volume 0.41500E+00 ppm1 9.292 ppm2 1.555
OR { 3511}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "10 " and name "HB2 ")
OR { 3511}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "11 " and name "HB1 ")
OR { 3511}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "11 " and name "HD2 ")
OR { 3511}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "10 " and name "HG2 ")
ASSI { 2663}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "44 " and name "HN ")
3.600 1.600 1.600 peak 2663 weight 0.10000E+01 volume 0.20200E+00 ppm1 9.741 ppm2 8.810
OR { 2663}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "27 " and name "HN ")
ASSI { 2665}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "29 " and name "HG2 ")
3.800 1.800 1.800 peak 2665 weight 0.10000E+01 volume 0.19100E+00 ppm1 9.748 ppm2 2.213
OR { 2665}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "84 " and name "HB ")
OR { 2665}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "29 " and name "HG1 ")
ASSI { 3400}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "46 " and name "HB ")
3.600 1.600 1.600 peak 3400 weight 0.10000E+01 volume 0.28800E+00 ppm1 9.047 ppm2 1.836
OR { 3400}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "89 " and name "HB2 ")
OR { 3400}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "89 " and name "HB1 ")
ASSI { 3390}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "64 " and name "HA ")
2.500 0.800 0.800 peak 3390 weight 0.10000E+01 volume 0.19870E+01 ppm1 9.046 ppm2 5.284
OR { 3390}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "25 " and name "HA ")
ASSI { 3401}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "26 " and name "HG11")
3.900 1.900 1.900 peak 3401 weight 0.10000E+01 volume 0.22300E+00 ppm1 9.050 ppm2 0.834
OR { 3401}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "26 " and name "HG13")
OR { 3401}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "26 " and name "HG21")
OR { 3401}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "26 " and name "HG13")
OR { 3401}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "26 " and name "HG22")
OR { 3401}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "26 " and name "HG12")
OR { 3401}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "26 " and name "HG12")
OR { 3401}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "26 " and name "HG11")
OR { 3401}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "26 " and name "HG23")
ASSI { 3397}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "46 " and name "HN ")
3.100 1.200 1.200 peak 3397 weight 0.10000E+01 volume 0.45300E+00 ppm1 9.047 ppm2 8.412
OR { 3397}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "26 " and name "HN ")
OR { 3397}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "26 " and name "HN ")
ASSI { 3393}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "25 " and name "HB2 ")
3.100 1.200 1.200 peak 3393 weight 0.10000E+01 volume 0.99000E+00 ppm1 9.040 ppm2 1.180
OR { 3393}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "25 " and name "HB3 ")
OR { 3393}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "25 " and name "HB1 ")
OR { 3393}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "25 " and name "HB3 ")
ASSI { 3399}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "24 " and name "HN ")
3.700 1.700 1.700 peak 3399 weight 0.10000E+01 volume 0.17900E+00 ppm1 9.039 ppm2 8.577
OR { 3399}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "51 " and name "HN ")
ASSI { 2828}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "48 " and name "HB2 ")
3.300 1.400 1.400 peak 2828 weight 0.10000E+01 volume 0.45900E+00 ppm1 9.144 ppm2 3.177
OR { 2828}
(segid " " and resid "56 " and name "HN ")
(segid " " and resid "56 " and name "HD1 ")
OR { 2828}
(segid " " and resid "56 " and name "HN ")
(segid " " and resid "56 " and name "HD2 ")
ASSI { 2716}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "31 " and name "HN ")
3.100 1.200 1.200 peak 2716 weight 0.10000E+01 volume 0.43600E+00 ppm1 7.984 ppm2 9.146
OR { 2716}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "41 " and name "HN ")
ASSI { 2722}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "84 " and name "HD11")
4.300 2.300 1.700 peak 2722 weight 0.10000E+01 volume 0.12500E+00 ppm1 7.986 ppm2 0.688
OR { 2722}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "84 " and name "HD13")
OR { 2722}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "84 " and name "HD12")
OR { 2722}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "41 " and name "HG12")
ASSI { 2819}
(segid " " and resid "56 " and name "HN ")
(segid " " and resid "56 " and name "HA ")
2.600 0.800 0.800 peak 2819 weight 0.10000E+01 volume 0.14960E+01 ppm1 9.145 ppm2 4.303
OR { 2819}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "41 " and name "HA ")
ASSI { 2820}
(segid " " and resid "56 " and name "HN ")
(segid " " and resid "55 " and name "HA2 ")
2.500 0.800 0.800 peak 2820 weight 0.10000E+01 volume 0.19250E+01 ppm1 9.144 ppm2 3.843
OR { 2820}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "64 " and name "HB2 ")
OR { 2820}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "64 " and name "HB1 ")
ASSI { 2949}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "64 " and name "HN ")
3.900 1.900 1.900 peak 2949 weight 0.10000E+01 volume 0.11200E+00 ppm1 9.843 ppm2 9.077
OR { 2949}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "22 " and name "HN ")
ASSI { 2652}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "85 " and name "HA ")
3.700 1.700 1.700 peak 2652 weight 0.10000E+01 volume 0.18900E+00 ppm1 8.809 ppm2 5.328
OR { 2652}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "25 " and name "HA ")
ASSI { 2648}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "46 " and name "HG23")
4.000 2.000 2.000 peak 2648 weight 0.10000E+01 volume 0.21600E+00 ppm1 8.806 ppm2 1.007
OR { 2648}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "46 " and name "HG22")
OR { 2648}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "46 " and name "HG21")
OR { 2648}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "65 " and name "HG21")
ASSI { 2641}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "27 " and name "HA ")
2.700 0.900 0.900 peak 2641 weight 0.10000E+01 volume 0.11830E+01 ppm1 8.810 ppm2 4.548
OR { 2641}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "46 " and name "HA ")
ASSI { 2645}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "26 " and name "HN ")
3.300 1.400 1.400 peak 2645 weight 0.10000E+01 volume 0.30100E+00 ppm1 8.811 ppm2 8.397
OR { 2645}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "46 " and name "HN ")
ASSI { 2640}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "47 " and name "HG21")
3.200 1.300 1.300 peak 2640 weight 0.10000E+01 volume 0.80300E+00 ppm1 8.810 ppm2 0.486
OR { 2640}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "85 " and name "HG12")
OR { 2640}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "47 " and name "HG23")
OR { 2640}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "47 " and name "HG22")
ASSI { 2655}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "45 " and name "HB2 ")
4.400 2.400 1.600 peak 2655 weight 0.10000E+01 volume 0.83000E-01 ppm1 8.810 ppm2 1.933
OR { 2655}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "46 " and name "HB ")
ASSI { 2650}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "47 " and name "HB ")
3.900 1.900 1.900 peak 2650 weight 0.10000E+01 volume 0.18400E+00 ppm1 8.814 ppm2 1.564
OR { 2650}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "28 " and name "HG ")
ASSI { 3388}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "86 " and name "HN ")
3.400 1.400 1.400 peak 3388 weight 0.10000E+01 volume 0.26700E+00 ppm1 9.364 ppm2 8.594
OR { 3388}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "24 " and name "HN ")
ASSI { 2829}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "40 " and name "HN ")
3.100 1.200 1.200 peak 2829 weight 0.10000E+01 volume 0.47000E+00 ppm1 9.118 ppm2 7.842
OR { 2829}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "33 " and name "HN ")
ASSI { 2826}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "31 " and name "HD1 ")
3.300 1.400 1.400 peak 2826 weight 0.10000E+01 volume 0.50700E+00 ppm1 9.115 ppm2 7.391
OR { 2826}
(segid " " and resid "56 " and name "HN ")
(segid " " and resid "58 " and name "HN ")
ASSI { 2813}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "31 " and name "HA ")
3.600 1.600 1.600 peak 2813 weight 0.10000E+01 volume 0.23100E+00 ppm1 9.116 ppm2 4.666
OR { 2813}
(segid " " and resid "56 " and name "HN ")
(segid " " and resid "57 " and name "HA1 ")
OR { 2813}
(segid " " and resid "56 " and name "HN ")
(segid " " and resid "54 " and name "HA ")
ASSI { 2839}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "32 " and name "HA ")
3.300 1.400 1.400 peak 2839 weight 0.10000E+01 volume 0.33800E+00 ppm1 9.116 ppm2 4.550
OR { 2839}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "31 " and name "HA ")
ASSI { 3384}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "85 " and name "HG21")
3.500 1.500 1.500 peak 3384 weight 0.10000E+01 volume 0.46100E+00 ppm1 9.363 ppm2 0.835
OR { 3384}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "26 " and name "HG13")
OR { 3384}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "85 " and name "HG22")
OR { 3384}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "26 " and name "HG11")
OR { 3384}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "85 " and name "HG23")
OR { 3384}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "85 " and name "HG21")
OR { 3384}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "26 " and name "HG12")
ASSI { 2609}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "24 " and name "HB2 ")
3.100 1.200 1.200 peak 2609 weight 0.10000E+01 volume 0.65000E+00 ppm1 9.432 ppm2 1.914
OR { 2609}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "86 " and name "HB1 ")
OR { 2609}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "85 " and name "HB ")
ASSI { 2610}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "24 " and name "HG2 ")
3.100 1.200 1.200 peak 2610 weight 0.10000E+01 volume 0.71000E+00 ppm1 9.432 ppm2 2.011
OR { 2610}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "87 " and name "HB2 ")
ASSI { 2613}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "46 " and name "HA ")
3.400 1.400 1.400 peak 2613 weight 0.10000E+01 volume 0.31100E+00 ppm1 9.433 ppm2 4.499
OR { 2613}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "47 " and name "HA ")
ASSI { 2605}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "46 " and name "HG12")
3.300 1.400 1.400 peak 2605 weight 0.10000E+01 volume 0.62600E+00 ppm1 9.434 ppm2 0.689
OR { 2605}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "46 " and name "HG11")
OR { 2605}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "91 " and name "HD21")
OR { 2605}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "46 " and name "HG13")
OR { 2605}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "28 " and name "HD21")
ASSI { 2619}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "47 " and name "HA ")
3.700 1.700 1.700 peak 2619 weight 0.10000E+01 volume 0.18900E+00 ppm1 9.438 ppm2 4.634
OR { 2619}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "65 " and name "HA ")
ASSI { 2612}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "47 " and name "HB ")
3.600 1.600 1.600 peak 2612 weight 0.10000E+01 volume 0.26600E+00 ppm1 9.435 ppm2 1.541
OR { 2612}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "86 " and name "HB2 ")
ASSI { 2606}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "24 " and name "HB1 ")
3.100 1.200 1.200 peak 2606 weight 0.10000E+01 volume 0.68600E+00 ppm1 9.435 ppm2 1.787
OR { 2606}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "86 " and name "HB1 ")
OR { 2606}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "85 " and name "HB ")
ASSI { 2604}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "47 " and name "HN ")
2.600 0.800 0.800 peak 2604 weight 0.10000E+01 volume 0.12390E+01 ppm1 9.432 ppm2 8.994
OR { 2604}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "49 " and name "HN ")
OR { 2604}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "88 " and name "HN ")
ASSI { 3620}
(segid " " and resid "108 " and name "HN ")
(segid " " and resid "108 " and name "HE22")
4.200 2.200 1.800 peak 3620 weight 0.10000E+01 volume 0.13900E+00 ppm1 8.485 ppm2 6.788
OR { 3620}
(segid " " and resid "108 " and name "HN ")
(segid " " and resid "106 " and name "HD2 ")
OR { 3620}
(segid " " and resid "108 " and name "HN ")
(segid " " and resid "106 " and name "HD1 ")
ASSI { 3633}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "12 " and name "HD12")
4.300 2.300 1.700 peak 3633 weight 0.10000E+01 volume 0.12400E+00 ppm1 9.726 ppm2 0.812
OR { 3633}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "59 " and name "HB2 ")
OR { 3633}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "12 " and name "HD11")
OR { 3633}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "85 " and name "HG23")
OR { 3633}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "85 " and name "HG21")
OR { 3633}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "85 " and name "HG22")
OR { 3633}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "12 " and name "HD13")
OR { 3633}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "22 " and name "HG23")
ASSI { 3627}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "60 " and name "HN ")
3.900 1.900 1.900 peak 3627 weight 0.10000E+01 volume 0.11400E+00 ppm1 9.736 ppm2 8.631
OR { 3627}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "52 " and name "HN ")
ASSI { 3630}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "49 " and name "HG11")
4.100 2.100 1.900 peak 3630 weight 0.10000E+01 volume 0.17400E+00 ppm1 9.735 ppm2 0.702
OR { 3630}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "49 " and name "HG13")
OR { 3630}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "49 " and name "HG12")
OR { 3630}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "12 " and name "HD12")
OR { 3630}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "12 " and name "HD13")
ASSI { 2736}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "34 " and name "HD2 ")
4.000 2.000 2.000 peak 2736 weight 0.10000E+01 volume 0.14500E+00 ppm1 7.864 ppm2 3.144
OR { 2736}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "38 " and name "HB2 ")
ASSI { 2727}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "41 " and name "HN ")
3.300 1.400 1.400 peak 2727 weight 0.10000E+01 volume 0.34100E+00 ppm1 7.854 ppm2 9.114
OR { 2727}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "39 " and name "HN ")
ASSI { 2729}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "34 " and name "HD1 ")
3.700 1.700 1.700 peak 2729 weight 0.10000E+01 volume 0.25000E+00 ppm1 7.862 ppm2 3.787
OR { 2729}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "38 " and name "HB1 ")
ASSI { 2732}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "34 " and name "HG1 ")
3.900 1.900 1.900 peak 2732 weight 0.10000E+01 volume 0.16400E+00 ppm1 7.860 ppm2 1.490
OR { 2732}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "39 " and name "HB2 ")
OR { 2732}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "39 " and name "HG ")
ASSI { 3500}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "37 " and name "HG2 ")
3.400 1.400 1.400 peak 3500 weight 0.10000E+01 volume 0.36500E+00 ppm1 8.367 ppm2 1.609
OR { 3500}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "96 " and name "HB ")
ASSI { 3443}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "92 " and name "HB1 ")
4.000 2.000 2.000 peak 3443 weight 0.10000E+01 volume 0.13900E+00 ppm1 9.062 ppm2 1.799
OR { 3443}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "24 " and name "HB1 ")
ASSI { 3585}
(segid " " and resid "105 " and name "HN ")
(segid " " and resid "104 " and name "HA ")
3.700 1.700 1.700 peak 3585 weight 0.10000E+01 volume 0.17800E+00 ppm1 7.514 ppm2 4.304
OR { 3585}
(segid " " and resid "105 " and name "HN ")
(segid " " and resid "103 " and name "HA ")
ASSI { 3561}
(segid " " and resid "86 " and name "HE ")
(segid " " and resid "28 " and name "HD12")
3.900 1.900 1.900 peak 3561 weight 0.10000E+01 volume 0.29700E+00 ppm1 7.889 ppm2 0.807
OR { 3561}
(segid " " and resid "86 " and name "HE ")
(segid " " and resid "28 " and name "HD21")
OR { 3561}
(segid " " and resid "86 " and name "HE ")
(segid " " and resid "28 " and name "HD23")
OR { 3561}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "53 " and name "HD11")
OR { 3561}
(segid " " and resid "86 " and name "HE ")
(segid " " and resid "28 " and name "HD13")
OR { 3561}
(segid " " and resid "86 " and name "HE ")
(segid " " and resid "28 " and name "HD11")
OR { 3561}
(segid " " and resid "86 " and name "HE ")
(segid " " and resid "28 " and name "HD22")
OR { 3561}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "41 " and name "HG12")
ASSI { 3692}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "37 " and name "HG2 ")
3.200 1.300 1.300 peak 3692 weight 0.10000E+01 volume 0.78100E+00 ppm1 7.235 ppm2 1.543
OR { 3692}
(segid " " and resid "76 " and name "HE ")
(segid " " and resid "76 " and name "HG2 ")
OR { 3692}
(segid " " and resid "76 " and name "HE ")
(segid " " and resid "76 " and name "HG1 ")
ASSI { 3689}
(segid " " and resid "56 " and name "HE ")
(segid " " and resid "56 " and name "HG2 ")
3.600 1.600 1.600 peak 3689 weight 0.10000E+01 volume 0.36000E+00 ppm1 7.337 ppm2 1.698
OR { 3689}
(segid " " and resid "56 " and name "HE ")
(segid " " and resid "56 " and name "HG1 ")
OR { 3689}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "37 " and name "HG2 ")
ASSI { 2884}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "41 " and name "HG23")
4.200 2.200 1.800 peak 2884 weight 0.10000E+01 volume 0.15700E+00 ppm1 8.810 ppm2 0.701
OR { 2884}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "41 " and name "HG22")
OR { 2884}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "41 " and name "HG21")
OR { 2884}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "28 " and name "HD12")
ASSI { 2883}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "27 " and name "HA ")
3.600 1.600 1.600 peak 2883 weight 0.10000E+01 volume 0.22000E+00 ppm1 8.810 ppm2 4.569
OR { 2883}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "29 " and name "HA ")
ASSI { 2860}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "28 " and name "HA ")
3.300 1.400 1.400 peak 2860 weight 0.10000E+01 volume 0.38900E+00 ppm1 8.808 ppm2 4.285
OR { 2860}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "45 " and name "HA ")
ASSI { 3523}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "99 " and name "HA ")
2.300 0.700 0.700 peak 3523 weight 0.10000E+01 volume 0.31970E+01 ppm1 7.861 ppm2 4.596
OR { 3523}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "100 " and name "HA ")
ASSI { 3535}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "10 " and name "HG1 ")
2.700 0.900 0.900 peak 3535 weight 0.10000E+01 volume 0.17210E+01 ppm1 7.863 ppm2 1.602
OR { 3535}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "99 " and name "HG2 ")
OR { 3535}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "10 " and name "HG2 ")
OR { 3535}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "99 " and name "HG1 ")
ASSI { 7746}
(segid " " and resid "79 " and name "HE2 ")
(segid " " and resid "53 " and name "HD13")
2.700 0.900 0.900 peak 7746 weight 0.10000E+01 volume 0.23720E+01 ppm1 6.674 ppm2 0.911
OR { 7746}
(segid " " and resid "79 " and name "HE2 ")
(segid " " and resid "53 " and name "HD12")
OR { 7746}
(segid " " and resid "79 " and name "HE2 ")
(segid " " and resid "53 " and name "HD11")
ASSI { 7463}
(segid " " and resid "31 " and name "HE2 ")
(segid " " and resid "31 " and name "HB2 ")
3.300 1.400 1.400 peak 7463 weight 0.10000E+01 volume 0.26000E+00 ppm1 6.949 ppm2 2.920
OR { 7463}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "31 " and name "HB2 ")
ASSI { 6804}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "33 " and name "HA ")
2.700 0.900 0.900 peak 6804 weight 0.10000E+01 volume 0.12240E+01 ppm1 6.943 ppm2 4.050
ASSI { 7687}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "108 " and name "HG2 ")
2.700 0.900 0.900 peak 7687 weight 0.10000E+01 volume 0.11740E+01 ppm1 6.784 ppm2 2.375
OR { 7687}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "108 " and name "HG1 ")
ASSI { 7773}
(segid " " and resid "80 " and name "HE1 ")
(segid " " and resid "49 " and name "HG23")
3.300 1.400 1.400 peak 7773 weight 0.10000E+01 volume 0.58900E+00 ppm1 6.985 ppm2 1.154
OR { 7773}
(segid " " and resid "80 " and name "HE1 ")
(segid " " and resid "49 " and name "HG22")
OR { 7773}
(segid " " and resid "80 " and name "HE1 ")
(segid " " and resid "49 " and name "HG21")
ASSI { 7694}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "63 " and name "HA2 ")
3.100 1.200 1.200 peak 7694 weight 0.10000E+01 volume 0.13800E+01 ppm1 7.029 ppm2 4.669
ASSI { 7698}
(segid " " and resid "8 " and name "HB3 ")
(segid " " and resid "53 " and name "HD22")
3.200 1.300 1.300 peak 7698 weight 0.10000E+01 volume 0.58300E+00 ppm1 7.030 ppm2 0.785
OR { 7698}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "53 " and name "HD22")
OR { 7698}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "53 " and name "HD21")
OR { 7698}
(segid " " and resid "8 " and name "HB3 ")
(segid " " and resid "53 " and name "HD21")
OR { 7698}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "53 " and name "HD23")
OR { 7698}
(segid " " and resid "8 " and name "HB1 ")
(segid " " and resid "53 " and name "HD22")
OR { 7698}
(segid " " and resid "8 " and name "HB3 ")
(segid " " and resid "53 " and name "HD23")
ASSI { 7671}
(segid " " and resid "48 " and name "HD2 ")
(segid " " and resid "48 " and name "HA ")
3.100 1.200 1.200 peak 7671 weight 0.10000E+01 volume 0.12480E+01 ppm1 6.922 ppm2 4.915
OR { 7671}
(segid " " and resid "48 " and name "HD1 ")
(segid " " and resid "48 " and name "HA ")
ASSI { 7794}
(segid " " and resid "106 " and name "HD2 ")
(segid " " and resid "3 " and name "HA ")
2.600 0.800 0.800 peak 7794 weight 0.10000E+01 volume 0.13470E+01 ppm1 6.799 ppm2 4.120
ASSI { 7845}
(segid " " and resid "79 " and name "HE1 ")
(segid " " and resid "105 " and name "HA ")
3.900 1.900 1.900 peak 7845 weight 0.10000E+01 volume 0.50600E+00 ppm1 6.649 ppm2 4.942
ASSI { 7421}
(segid " " and resid "86 " and name "HB2 ")
(segid " " and resid "86 " and name "HD2 ")
2.100 0.600 0.600 peak 7421 weight 0.10000E+01 volume 0.12520E+01 ppm1 6.936 ppm2 3.228
OR { 7421}
(segid " " and resid "86 " and name "HB2 ")
(segid " " and resid "86 " and name "HD1 ")
ASSI { 7741}
(segid " " and resid "69 " and name "HE2 ")
(segid " " and resid "69 " and name "HB1 ")
2.900 1.100 1.100 peak 7741 weight 0.10000E+01 volume 0.85600E+00 ppm1 6.681 ppm2 2.844
OR { 7741}
(segid " " and resid "69 " and name "HE1 ")
(segid " " and resid "69 " and name "HB2 ")
OR { 7741}
(segid " " and resid "69 " and name "HE2 ")
(segid " " and resid "69 " and name "HB2 ")
OR { 7741}
(segid " " and resid "69 " and name "HE1 ")
(segid " " and resid "69 " and name "HB1 ")
ASSI { 7710}
(segid " " and resid "61 " and name "HD1 ")
(segid " " and resid "52 " and name "HB2 ")
3.100 1.200 1.200 peak 7710 weight 0.10000E+01 volume 0.68800E+00 ppm1 7.564 ppm2 1.417
ASSI { 7777}
(segid " " and resid "80 " and name "HZ ")
(segid " " and resid "49 " and name "HG12")
4.100 2.100 1.900 peak 7777 weight 0.10000E+01 volume 0.23100E+00 ppm1 7.153 ppm2 0.692
OR { 7777}
(segid " " and resid "80 " and name "HZ ")
(segid " " and resid "49 " and name "HG11")
OR { 7777}
(segid " " and resid "80 " and name "HZ ")
(segid " " and resid "49 " and name "HG13")
ASSI { 7771}
(segid " " and resid "80 " and name "HE1 ")
(segid " " and resid "82 " and name "HA ")
3.200 1.300 1.300 peak 7771 weight 0.10000E+01 volume 0.34800E+00 ppm1 6.977 ppm2 2.884
ASSI { 7772}
(segid " " and resid "80 " and name "HE1 ")
(segid " " and resid "61 " and name "HB2 ")
2.600 0.800 0.800 peak 7772 weight 0.10000E+01 volume 0.66700E+00 ppm1 6.977 ppm2 2.514
ASSI { 7823}
(segid " " and resid "38 " and name "HE1 ")
(segid " " and resid "7 " and name "HD22")
3.200 1.300 1.300 peak 7823 weight 0.10000E+01 volume 0.54500E+00 ppm1 6.847 ppm2 -0.051
OR { 7823}
(segid " " and resid "38 " and name "HE1 ")
(segid " " and resid "7 " and name "HD21")
OR { 7823}
(segid " " and resid "38 " and name "HE2 ")
(segid " " and resid "7 " and name "HD22")
OR { 7823}
(segid " " and resid "38 " and name "HE2 ")
(segid " " and resid "7 " and name "HD21")
OR { 7823}
(segid " " and resid "38 " and name "HE2 ")
(segid " " and resid "7 " and name "HD23")
ASSI { 7802}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "19 " and name "HA ")
3.500 1.500 1.500 peak 7802 weight 0.10000E+01 volume 0.89500E+00 ppm1 7.132 ppm2 4.383
OR { 7802}
(segid " " and resid "50 " and name "HE2 ")
(segid " " and resid "19 " and name "HA ")
ASSI { 7813}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "50 " and name "HN ")
3.300 1.400 1.400 peak 7813 weight 0.10000E+01 volume 0.51800E+00 ppm1 7.133 ppm2 0.538
ASSI { 7677}
(segid " " and resid "37 " and name "HG2 ")
(segid " " and resid "37 " and name "HG1 ")
2.100 0.600 0.600 peak 7677 weight 0.10000E+01 volume 0.10230E+01 ppm1 6.927 ppm2 1.859
ASSI { 7672}
(segid " " and resid "86 " and name "HG1 ")
(segid " " and resid "86 " and name "HA ")
3.000 1.100 1.100 peak 7672 weight 0.10000E+01 volume 0.52500E+00 ppm1 6.942 ppm2 4.677
ASSI { 7789}
(segid " " and resid "80 " and name "HD1 ")
(segid " " and resid "85 " and name "HG11")
2.800 1.000 1.000 peak 7789 weight 0.10000E+01 volume 0.17300E+01 ppm1 6.932 ppm2 0.511
OR { 7789}
(segid " " and resid "80 " and name "HD1 ")
(segid " " and resid "85 " and name "HG13")
OR { 7789}
(segid " " and resid "80 " and name "HD1 ")
(segid " " and resid "85 " and name "HG12")
ASSI { 7784}
(segid " " and resid "10 " and name "HG1 ")
(segid " " and resid "10 " and name "HG2 ")
2.100 0.600 0.600 peak 7784 weight 0.10000E+01 volume 0.10470E+01 ppm1 6.935 ppm2 1.481
ASSI { 7779}
(segid " " and resid "10 " and name "HG1 ")
(segid " " and resid "10 " and name "HA ")
3.100 1.200 1.200 peak 7779 weight 0.10000E+01 volume 0.49900E+00 ppm1 6.940 ppm2 5.275
ASSI { 3670}
(segid " " and resid "20 " and name "HE1 ")
(segid " " and resid "92 " and name "HD2 ")
2.300 0.700 0.700 peak 3670 weight 0.10000E+01 volume 0.10240E+01 ppm1 8.461 ppm2 1.456
ASSI { 3673}
(segid " " and resid "42 " and name "HB1 ")
(segid " " and resid "41 " and name "HG22")
2.800 2.800 2.200 peak 3673 weight 0.10000E+01 volume 0.54500E+00 ppm1 8.461 ppm2 0.777
OR { 3673}
(segid " " and resid "42 " and name "HB1 ")
(segid " " and resid "41 " and name "HG23")
OR { 3673}
(segid " " and resid "42 " and name "HB1 ")
(segid " " and resid "41 " and name "HG21")
ASSI { 7724}
(segid " " and resid "61 " and name "HZ2 ")
(segid " " and resid "52 " and name "HD1 ")
3.500 1.500 1.500 peak 7724 weight 0.10000E+01 volume 0.27600E+00 ppm1 7.552 ppm2 1.164
ASSI { 7597}
(segid " " and resid "86 " and name "HB2 ")
(segid " " and resid "28 " and name "HD23")
2.900 1.100 1.100 peak 7597 weight 0.10000E+01 volume 0.44200E+00 ppm1 6.937 ppm2 0.726
OR { 7597}
(segid " " and resid "86 " and name "HB2 ")
(segid " " and resid "28 " and name "HD21")
OR { 7597}
(segid " " and resid "86 " and name "HB2 ")
(segid " " and resid "28 " and name "HD22")
ASSI { 7464}
(segid " " and resid "4 " and name "HB2 ")
(segid " " and resid "4 " and name "HG1 ")
2.300 0.700 0.700 peak 7464 weight 0.10000E+01 volume 0.77600E+00 ppm1 6.940 ppm2 2.698
ASSI { 7446}
(segid " " and resid "86 " and name "HB2 ")
(segid " " and resid "86 " and name "HD2 ")
2.000 0.500 0.500 peak 7446 weight 0.10000E+01 volume 0.14830E+01 ppm1 6.938 ppm2 3.141
ASSI { 7368}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "81 " and name "HD1 ")
2.900 1.100 1.100 peak 7368 weight 0.10000E+01 volume 0.77200E+00 ppm1 6.943 ppm2 3.430
OR { 7368}
(segid " " and resid "31 " and name "HE2 ")
(segid " " and resid "81 " and name "HD1 ")
ASSI { 7662}
(segid " " and resid "42 " and name "HD2 ")
(segid " " and resid "42 " and name "HB1 ")
3.100 1.200 1.200 peak 7662 weight 0.10000E+01 volume 0.37200E+00 ppm1 7.218 ppm2 3.206
ASSI { 1135}
(segid " " and resid "20 " and name "HD2 ")
(segid " " and resid "20 " and name "HA ")
4.200 2.200 1.800 peak 1135 weight 0.10000E+01 volume 0.21400E+00 ppm1 7.321 ppm2 4.995
ASSI { 7719}
(segid " " and resid "61 " and name "HE3 ")
(segid " " and resid "49 " and name "HG11")
3.600 1.600 1.600 peak 7719 weight 0.10000E+01 volume 0.56200E+00 ppm1 7.417 ppm2 0.697
OR { 7719}
(segid " " and resid "61 " and name "HE3 ")
(segid " " and resid "49 " and name "HG12")
OR { 7719}
(segid " " and resid "61 " and name "HE3 ")
(segid " " and resid "49 " and name "HG13")
ASSI { 7731}
(segid " " and resid "61 " and name "HZ3 ")
(segid " " and resid "85 " and name "HG21")
3.100 1.200 1.200 peak 7731 weight 0.10000E+01 volume 0.10320E+01 ppm1 6.742 ppm2 0.873
OR { 7731}
(segid " " and resid "61 " and name "HZ3 ")
(segid " " and resid "85 " and name "HG23")
OR { 7731}
(segid " " and resid "61 " and name "HZ3 ")
(segid " " and resid "85 " and name "HG22")
ASSI { 7718}
(segid " " and resid "61 " and name "HE3 ")
(segid " " and resid "85 " and name "HG23")
3.300 1.400 1.400 peak 7718 weight 0.10000E+01 volume 0.90100E+00 ppm1 7.418 ppm2 0.872
OR { 7718}
(segid " " and resid "61 " and name "HE3 ")
(segid " " and resid "85 " and name "HG21")
OR { 7718}
(segid " " and resid "61 " and name "HE3 ")
(segid " " and resid "85 " and name "HG22")
ASSI { 7756}
(segid " " and resid "103 " and name "HZ3 ")
(segid " " and resid "106 " and name "HD1 ")
4.000 2.000 2.000 peak 7756 weight 0.10000E+01 volume 0.40700E+00 ppm1 6.303 ppm2 6.724
OR { 7756}
(segid " " and resid "103 " and name "HZ3 ")
(segid " " and resid "106 " and name "HE1 ")
ASSI { 7825}
(segid " " and resid "105 " and name "HE1 ")
(segid " " and resid "7 " and name "HD22")
4.000 2.000 2.000 peak 7825 weight 0.10000E+01 volume 0.21300E+00 ppm1 6.919 ppm2 -0.050
OR { 7825}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "7 " and name "HD23")
OR { 7825}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "7 " and name "HD21")
OR { 7825}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "7 " and name "HD22")
ASSI { 7645}
(segid " " and resid "38 " and name "HZ ")
(segid " " and resid "7 " and name "HD12")
3.400 1.400 1.400 peak 7645 weight 0.10000E+01 volume 0.66500E+00 ppm1 6.581 ppm2 0.543
OR { 7645}
(segid " " and resid "38 " and name "HZ ")
(segid " " and resid "7 " and name "HD11")
OR { 7645}
(segid " " and resid "38 " and name "HZ ")
(segid " " and resid "7 " and name "HD13")
ASSI { 7820}
(segid " " and resid "11 " and name "HG1 ")
(segid " " and resid "11 " and name "HN ")
2.700 0.900 0.900 peak 7820 weight 0.10000E+01 volume 0.30500E+00 ppm1 6.575 ppm2 -0.061
ASSI { 5206}
(segid " " and resid "60 " and name "HE1 ")
(segid " " and resid "81 " and name "HG1 ")
3.100 1.200 1.200 peak 5206 weight 0.10000E+01 volume 0.51300E+00 ppm1 7.416 ppm2 1.910
OR { 5206}
(segid " " and resid "60 " and name "HE2 ")
(segid " " and resid "81 " and name "HG1 ")
ASSI { 7795}
(segid " " and resid "37 " and name "HG2 ")
(segid " " and resid "37 " and name "HD1 ")
2.500 0.800 0.800 peak 7795 weight 0.10000E+01 volume 0.41700E+00 ppm1 6.800 ppm2 3.507
ASSI { 5874}
(segid " " and resid "31 " and name "HD2 ")
(segid " " and resid "31 " and name "HA ")
2.700 0.900 0.900 peak 5874 weight 0.10000E+01 volume 0.23050E+01 ppm1 7.406 ppm2 4.613
ASSI { 2388}
(segid " " and resid "20 " and name "HE1 ")
(segid " " and resid "92 " and name "HD1 ")
2.400 0.700 0.700 peak 2388 weight 0.10000E+01 volume 0.68700E+00 ppm1 8.461 ppm2 1.597
ASSI { 7725}
(segid " " and resid "61 " and name "HZ2 ")
(segid " " and resid "52 " and name "HD2 ")
3.200 1.300 1.300 peak 7725 weight 0.10000E+01 volume 0.45300E+00 ppm1 7.552 ppm2 1.009
ASSI { 7032}
(segid " " and resid "4 " and name "HB2 ")
(segid " " and resid "5 " and name "HD1 ")
1.800 0.400 0.400 peak 7032 weight 0.10000E+01 volume 0.29270E+01 ppm1 6.942 ppm2 3.789
ASSI { 3746}
(segid " " and resid "86 " and name "HB2 ")
(segid " " and resid "86 " and name "HG2 ")
2.400 0.700 0.700 peak 3746 weight 0.10000E+01 volume 0.45800E+00 ppm1 6.941 ppm2 1.492
ASSI { 7684}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "48 " and name "HB2 ")
3.500 1.500 1.500 peak 7684 weight 0.10000E+01 volume 0.28000E+00 ppm1 6.778 ppm2 3.191
OR { 7684}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "48 " and name "HB2 ")
ASSI { 7660}
(segid " " and resid "42 " and name "HD2 ")
(segid " " and resid "42 " and name "HA ")
4.600 2.600 1.400 peak 7660 weight 0.10000E+01 volume 0.17800E+00 ppm1 7.224 ppm2 5.283
ASSI { 7663}
(segid " " and resid "42 " and name "HD2 ")
(segid " " and resid "42 " and name "HB2 ")
3.100 1.200 1.200 peak 7663 weight 0.10000E+01 volume 0.50300E+00 ppm1 7.222 ppm2 2.884
ASSI { 7717}
(segid " " and resid "61 " and name "HE3 ")
(segid " " and resid "49 " and name "HG23")
3.100 1.200 1.200 peak 7717 weight 0.10000E+01 volume 0.14030E+01 ppm1 7.415 ppm2 1.139
OR { 7717}
(segid " " and resid "61 " and name "HE3 ")
(segid " " and resid "49 " and name "HG22")
OR { 7717}
(segid " " and resid "61 " and name "HE3 ")
(segid " " and resid "49 " and name "HG21")
ASSI { 7715}
(segid " " and resid "61 " and name "HE3 ")
(segid " " and resid "61 " and name "HB2 ")
2.900 1.100 1.100 peak 7715 weight 0.10000E+01 volume 0.83500E+00 ppm1 7.416 ppm2 2.503
ASSI { 7762}
(segid " " and resid "103 " and name "HD1 ")
(segid " " and resid "103 " and name "HA ")
4.100 2.100 1.900 peak 7762 weight 0.10000E+01 volume 0.38700E+00 ppm1 7.115 ppm2 4.366
ASSI { 7769}
(segid " " and resid "80 " and name "HE2 ")
(segid " " and resid "63 " and name "HA1 ")
3.800 1.800 1.800 peak 7769 weight 0.10000E+01 volume 0.49400E+00 ppm1 6.982 ppm2 5.118
ASSI { 7695}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "60 " and name "HB1 ")
2.700 0.900 0.900 peak 7695 weight 0.10000E+01 volume 0.13070E+01 ppm1 7.036 ppm2 3.135
OR { 7695}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "60 " and name "HB1 ")
ASSI { 7805}
(segid " " and resid "50 " and name "HE2 ")
(segid " " and resid "21 " and name "HD2 ")
2.900 1.100 1.100 peak 7805 weight 0.10000E+01 volume 0.88000E+00 ppm1 7.134 ppm2 3.383
OR { 7805}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "21 " and name "HD2 ")
ASSI { 7800}
(segid " " and resid "50 " and name "HE2 ")
(segid " " and resid "20 " and name "HA ")
3.600 1.600 1.600 peak 7800 weight 0.10000E+01 volume 0.76300E+00 ppm1 7.132 ppm2 4.998
OR { 7800}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "20 " and name "HA ")
ASSI { 7804}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "21 " and name "HA ")
3.300 1.400 1.400 peak 7804 weight 0.10000E+01 volume 0.96100E+00 ppm1 7.135 ppm2 3.536
OR { 7804}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "21 " and name "HA ")
OR { 7804}
(segid " " and resid "50 " and name "HE2 ")
(segid " " and resid "21 " and name "HA ")
ASSI { 7803}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "64 " and name "HB2 ")
2.800 1.000 1.000 peak 7803 weight 0.10000E+01 volume 0.10590E+01 ppm1 7.134 ppm2 3.820
OR { 7803}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "64 " and name "HB2 ")
OR { 7803}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "64 " and name "HB1 ")
ASSI { 7806}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "48 " and name "HB2 ")
2.500 0.800 0.800 peak 7806 weight 0.10000E+01 volume 0.17860E+01 ppm1 7.135 ppm2 3.200
ASSI { 7811}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "21 " and name "HB2 ")
3.300 1.400 1.400 peak 7811 weight 0.10000E+01 volume 0.40200E+00 ppm1 7.132 ppm2 1.006
OR { 7811}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "21 " and name "HB2 ")
OR { 7811}
(segid " " and resid "50 " and name "HE2 ")
(segid " " and resid "21 " and name "HB2 ")
ASSI { 7658}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HG1 ")
2.100 0.600 0.600 peak 7658 weight 0.10000E+01 volume 0.12390E+01 ppm1 7.366 ppm2 1.342
OR { 7658}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HG1 ")
ASSI { 7650}
(segid " " and resid "38 " and name "HD1 ")
(segid " " and resid "38 " and name "HA ")
3.200 1.300 1.300 peak 7650 weight 0.10000E+01 volume 0.13100E+01 ppm1 7.360 ppm2 5.413
OR { 7650}
(segid " " and resid "38 " and name "HD2 ")
(segid " " and resid "38 " and name "HA ")
ASSI { 7830}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HB1 ")
2.100 0.600 0.600 peak 7830 weight 0.10000E+01 volume 0.10850E+01 ppm1 7.069 ppm2 1.623
OR { 7830}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HB2 ")
OR { 7830}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HB1 ")
OR { 7830}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HB2 ")
ASSI { 7665}
(segid " " and resid "5 " and name "HD2 ")
(segid " " and resid "5 " and name "HG1 ")
2.800 1.000 1.000 peak 7665 weight 0.10000E+01 volume 0.18700E+00 ppm1 8.565 ppm2 1.977
ASSI { 7728}
(segid " " and resid "61 " and name "HZ3 ")
(segid " " and resid "87 " and name "HG1 ")
2.900 1.100 1.100 peak 7728 weight 0.10000E+01 volume 0.91000E+00 ppm1 6.744 ppm2 2.508
ASSI { 7712}
(segid " " and resid "61 " and name "HE3 ")
(segid " " and resid "80 " and name "HE1 ")
4.100 2.100 1.900 peak 7712 weight 0.10000E+01 volume 0.51900E+00 ppm1 7.415 ppm2 6.982
ASSI { 7707}
(segid " " and resid "61 " and name "HD1 ")
(segid " " and resid "61 " and name "HB1 ")
3.600 1.600 1.600 peak 7707 weight 0.10000E+01 volume 0.22900E+00 ppm1 7.560 ppm2 3.269
ASSI { 7709}
(segid " " and resid "61 " and name "HD1 ")
(segid " " and resid "52 " and name "HB1 ")
3.000 1.100 1.100 peak 7709 weight 0.10000E+01 volume 0.65200E+00 ppm1 7.563 ppm2 1.661
ASSI { 7809}
(segid " " and resid "50 " and name "HE1 ")
(segid " " and resid "48 " and name "HB1 ")
2.800 1.000 1.000 peak 7809 weight 0.10000E+01 volume 0.98500E+00 ppm1 7.131 ppm2 2.486
OR { 7809}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "48 " and name "HB1 ")
ASSI { 7656}
(segid " " and resid "93 " and name "HG1 ")
(segid " " and resid "93 " and name "HB2 ")
2.500 0.800 0.800 peak 7656 weight 0.10000E+01 volume 0.39500E+00 ppm1 7.357 ppm2 1.695
ASSI { 7666}
(segid " " and resid "20 " and name "HB1 ")
(segid " " and resid "14 " and name "HB3 ")
2.600 0.800 0.800 peak 7666 weight 0.10000E+01 volume 0.88300E+00 ppm1 8.564 ppm2 1.247
OR { 7666}
(segid " " and resid "20 " and name "HB1 ")
(segid " " and resid "14 " and name "HB2 ")
OR { 7666}
(segid " " and resid "20 " and name "HB1 ")
(segid " " and resid "14 " and name "HB1 ")
ASSI { 7726}
(segid " " and resid "61 " and name "HZ2 ")
(segid " " and resid "52 " and name "HE2 ")
3.400 1.400 1.400 peak 7726 weight 0.10000E+01 volume 0.28700E+00 ppm1 7.552 ppm2 0.237
ASSI { 7729}
(segid " " and resid "61 " and name "HZ3 ")
(segid " " and resid "87 " and name "HG2 ")
3.100 1.200 1.200 peak 7729 weight 0.10000E+01 volume 0.52900E+00 ppm1 6.745 ppm2 2.158
ASSI { 7705}
(segid " " and resid "61 " and name "HD1 ")
(segid " " and resid "61 " and name "HA ")
2.900 1.100 1.100 peak 7705 weight 0.10000E+01 volume 0.32190E+01 ppm1 7.558 ppm2 5.329
ASSI { 7706}
(segid " " and resid "61 " and name "HD1 ")
(segid " " and resid "52 " and name "HA ")
3.000 1.100 1.100 peak 7706 weight 0.10000E+01 volume 0.21960E+01 ppm1 7.560 ppm2 4.831
ASSI { 7808}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "50 " and name "HB2 ")
2.500 0.800 0.800 peak 7808 weight 0.10000E+01 volume 0.19690E+01 ppm1 7.133 ppm2 2.815
OR { 7808}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "50 " and name "HB2 ")
ASSI { 7785}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HG1 ")
2.400 0.700 0.700 peak 7785 weight 0.10000E+01 volume 0.46200E+00 ppm1 6.946 ppm2 1.207
OR { 7785}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HG2 ")
OR { 7785}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "11 " and name "HG1 ")
OR { 7785}
(segid " " and resid "11 " and name "HD2 ")
(segid " " and resid "11 " and name "HG2 ")
ASSI { 7790}
(segid " " and resid "80 " and name "HD2 ")
(segid " " and resid "41 " and name "HD12")
3.200 1.300 1.300 peak 7790 weight 0.10000E+01 volume 0.98100E+00 ppm1 6.933 ppm2 0.302
OR { 7790}
(segid " " and resid "80 " and name "HD2 ")
(segid " " and resid "41 " and name "HD13")
OR { 7790}
(segid " " and resid "80 " and name "HD2 ")
(segid " " and resid "41 " and name "HD11")
ASSI { 7722}
(segid " " and resid "17 " and name "HB1 ")
(segid " " and resid "17 " and name "HB2 ")
2.500 0.800 0.800 peak 7722 weight 0.10000E+01 volume 0.37900E+00 ppm1 7.556 ppm2 1.785
ASSI { 7721}
(segid " " and resid "61 " and name "HZ2 ")
(segid " " and resid "61 " and name "HZ3 ")
4.700 2.800 1.300 peak 7721 weight 0.10000E+01 volume 0.24200E+00 ppm1 7.558 ppm2 6.746
ASSI { 7727}
(segid " " and resid "61 " and name "HZ3 ")
(segid " " and resid "61 " and name "HH2 ")
3.400 1.400 1.400 peak 7727 weight 0.10000E+01 volume 0.16070E+01 ppm1 6.746 ppm2 7.154
ASSI { 7807}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "50 " and name "HB1 ")
2.500 0.800 0.800 peak 7807 weight 0.10000E+01 volume 0.22150E+01 ppm1 7.131 ppm2 3.047
OR { 7807}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "50 " and name "HB1 ")
ASSI { 7713}
(segid " " and resid "61 " and name "HE3 ")
(segid " " and resid "61 " and name "HZ3 ")
3.000 1.100 1.100 peak 7713 weight 0.10000E+01 volume 0.31540E+01 ppm1 7.418 ppm2 6.754
ASSI { 7760}
(segid " " and resid "103 " and name "HH2 ")
(segid " " and resid "103 " and name "HZ3 ")
3.000 1.100 1.100 peak 7760 weight 0.10000E+01 volume 0.35880E+01 ppm1 6.985 ppm2 6.304
ASSI { 5130}
(segid " " and resid "79 " and name "HE2 ")
(segid " " and resid "53 " and name "HD23")
3.200 1.300 1.300 peak 5130 weight 0.10000E+01 volume 0.86800E+00 ppm1 6.663 ppm2 0.786
OR { 5130}
(segid " " and resid "79 " and name "HE2 ")
(segid " " and resid "53 " and name "HD21")
OR { 5130}
(segid " " and resid "79 " and name "HE1 ")
(segid " " and resid "53 " and name "HD21")
OR { 5130}
(segid " " and resid "79 " and name "HE2 ")
(segid " " and resid "53 " and name "HD22")
ASSI { 4925}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "77 " and name "HD13")
4.200 2.200 1.800 peak 4925 weight 0.10000E+01 volume 0.21300E+00 ppm1 7.126 ppm2 0.512
OR { 4925}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "77 " and name "HD12")
OR { 4925}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "77 " and name "HD13")
OR { 4925}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "77 " and name "HD11")
OR { 4925}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "77 " and name "HD12")
OR { 4925}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "77 " and name "HD11")
ASSI { 5631}
(segid " " and resid "106 " and name "HD1 ")
(segid " " and resid "103 " and name "HA ")
3.600 1.600 1.600 peak 5631 weight 0.10000E+01 volume 0.46400E+00 ppm1 6.793 ppm2 4.345
ASSI { 5270}
(segid " " and resid "80 " and name "HD1 ")
(segid " " and resid "85 " and name "HG23")
3.200 1.300 1.300 peak 5270 weight 0.10000E+01 volume 0.73700E+00 ppm1 6.924 ppm2 0.848
OR { 5270}
(segid " " and resid "80 " and name "HD1 ")
(segid " " and resid "85 " and name "HG22")
OR { 5270}
(segid " " and resid "80 " and name "HD1 ")
(segid " " and resid "85 " and name "HG21")
ASSI { 5395}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "41 " and name "HB ")
2.700 0.900 0.900 peak 5395 weight 0.10000E+01 volume 0.12960E+01 ppm1 0.668 ppm2 1.449
OR { 5395}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "41 " and name "HB ")
OR { 5395}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "41 " and name "HB ")
ASSI { 4517}
(segid " " and resid "22 " and name "HG22")
(segid " " and resid "14 " and name "HA ")
4.300 2.300 1.700 peak 4517 weight 0.10000E+01 volume 0.16000E+00 ppm1 0.785 ppm2 4.497
OR { 4517}
(segid " " and resid "22 " and name "HG23")
(segid " " and resid "14 " and name "HA ")
OR { 4517}
(segid " " and resid "22 " and name "HG21")
(segid " " and resid "14 " and name "HA ")
ASSI { 7129}
(segid " " and resid "65 " and name "HG22")
(segid " " and resid "64 " and name "HA ")
4.400 2.400 1.600 peak 7129 weight 0.10000E+01 volume 0.14400E+00 ppm1 1.027 ppm2 5.234
OR { 7129}
(segid " " and resid "65 " and name "HG21")
(segid " " and resid "64 " and name "HA ")
OR { 7129}
(segid " " and resid "65 " and name "HG23")
(segid " " and resid "64 " and name "HA ")
ASSI { 4853}
(segid " " and resid "46 " and name "HG12")
(segid " " and resid "48 " and name "HD2 ")
4.800 2.900 1.200 peak 4853 weight 0.10000E+01 volume 0.99000E-01 ppm1 0.690 ppm2 6.921
OR { 4853}
(segid " " and resid "46 " and name "HG11")
(segid " " and resid "48 " and name "HD2 ")
OR { 4853}
(segid " " and resid "46 " and name "HG13")
(segid " " and resid "48 " and name "HD1 ")
OR { 4853}
(segid " " and resid "46 " and name "HG12")
(segid " " and resid "48 " and name "HD1 ")
OR { 4853}
(segid " " and resid "46 " and name "HG11")
(segid " " and resid "48 " and name "HD1 ")
ASSI { 5462}
(segid " " and resid "91 " and name "HD11")
(segid " " and resid "24 " and name "HB2 ")
2.800 1.000 1.000 peak 5462 weight 0.10000E+01 volume 0.97400E+00 ppm1 0.785 ppm2 1.922
OR { 5462}
(segid " " and resid "91 " and name "HD12")
(segid " " and resid "24 " and name "HB2 ")
OR { 5462}
(segid " " and resid "91 " and name "HD13")
(segid " " and resid "24 " and name "HB2 ")
ASSI { 4750}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "78 " and name "HA2 ")
3.100 1.200 1.200 peak 4750 weight 0.10000E+01 volume 0.86500E+00 ppm1 0.896 ppm2 3.712
OR { 4750}
(segid " " and resid "39 " and name "HD21")
(segid " " and resid "78 " and name "HA2 ")
OR { 4750}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "78 " and name "HA2 ")
ASSI { 4749}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "78 " and name "HA1 ")
3.600 1.600 1.600 peak 4749 weight 0.10000E+01 volume 0.50100E+00 ppm1 0.897 ppm2 4.212
OR { 4749}
(segid " " and resid "39 " and name "HD21")
(segid " " and resid "78 " and name "HA1 ")
OR { 4749}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "78 " and name "HA1 ")
ASSI { 4751}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "76 " and name "HD1 ")
3.700 1.700 1.700 peak 4751 weight 0.10000E+01 volume 0.17800E+00 ppm1 0.899 ppm2 3.170
OR { 4751}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "76 " and name "HD2 ")
OR { 4751}
(segid " " and resid "39 " and name "HD21")
(segid " " and resid "76 " and name "HD2 ")
OR { 4751}
(segid " " and resid "39 " and name "HD21")
(segid " " and resid "76 " and name "HD1 ")
OR { 4751}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "76 " and name "HD2 ")
ASSI { 4585}
(segid " " and resid "25 " and name "HB3 ")
(segid " " and resid "85 " and name "HG13")
2.700 0.900 0.900 peak 4585 weight 0.10000E+01 volume 0.32510E+01 ppm1 1.189 ppm2 0.489
OR { 4585}
(segid " " and resid "25 " and name "HB3 ")
(segid " " and resid "85 " and name "HG12")
OR { 4585}
(segid " " and resid "25 " and name "HB1 ")
(segid " " and resid "85 " and name "HG13")
OR { 4585}
(segid " " and resid "25 " and name "HB3 ")
(segid " " and resid "85 " and name "HG11")
OR { 4585}
(segid " " and resid "25 " and name "HB2 ")
(segid " " and resid "85 " and name "HG13")
OR { 4585}
(segid " " and resid "25 " and name "HB1 ")
(segid " " and resid "85 " and name "HG12")
OR { 4585}
(segid " " and resid "25 " and name "HB2 ")
(segid " " and resid "85 " and name "HG12")
OR { 4585}
(segid " " and resid "25 " and name "HB2 ")
(segid " " and resid "85 " and name "HG11")
ASSI { 4357}
(segid " " and resid "12 " and name "HD22")
(segid " " and resid "95 " and name "HA ")
3.200 1.300 1.300 peak 4357 weight 0.10000E+01 volume 0.93200E+00 ppm1 0.721 ppm2 4.531
OR { 4357}
(segid " " and resid "12 " and name "HD23")
(segid " " and resid "95 " and name "HA ")
OR { 4357}
(segid " " and resid "12 " and name "HD21")
(segid " " and resid "95 " and name "HA ")
ASSI { 5504}
(segid " " and resid "92 " and name "HG1 ")
(segid " " and resid "92 " and name "HA ")
2.500 0.800 0.800 peak 5504 weight 0.10000E+01 volume 0.12940E+01 ppm1 1.262 ppm2 4.536
OR { 5504}
(segid " " and resid "92 " and name "HG2 ")
(segid " " and resid "92 " and name "HA ")
ASSI { 4295}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "53 " and name "HD11")
2.500 0.800 0.800 peak 4295 weight 0.10000E+01 volume 0.38990E+01 ppm1 1.716 ppm2 0.922
OR { 4295}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "53 " and name "HD12")
OR { 4295}
(segid " " and resid "8 " and name "HB3 ")
(segid " " and resid "53 " and name "HD11")
OR { 4295}
(segid " " and resid "8 " and name "HB1 ")
(segid " " and resid "53 " and name "HD11")
OR { 4295}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "53 " and name "HD13")
OR { 4295}
(segid " " and resid "8 " and name "HB3 ")
(segid " " and resid "53 " and name "HD12")
OR { 4295}
(segid " " and resid "8 " and name "HB1 ")
(segid " " and resid "53 " and name "HD12")
ASSI { 5293}
(segid " " and resid "81 " and name "HG1 ")
(segid " " and resid "80 " and name "HA ")
3.400 1.400 1.400 peak 5293 weight 0.10000E+01 volume 0.19900E+00 ppm1 1.896 ppm2 5.254
OR { 5293}
(segid " " and resid "81 " and name "HG2 ")
(segid " " and resid "80 " and name "HA ")
ASSI { 4818}
(segid " " and resid "43 " and name "HB2 ")
(segid " " and resid "29 " and name "HA ")
2.700 0.900 0.900 peak 4818 weight 0.10000E+01 volume 0.69900E+00 ppm1 1.453 ppm2 4.545
ASSI { 4468}
(segid " " and resid "43 " and name "HB2 ")
(segid " " and resid "43 " and name "HE ")
3.100 1.200 1.200 peak 4468 weight 0.10000E+01 volume 0.20300E+00 ppm1 1.503 ppm2 7.119
ASSI { 5280}
(segid " " and resid "87 " and name "HB2 ")
(segid " " and resid "25 " and name "HB2 ")
2.800 1.000 1.000 peak 5280 weight 0.10000E+01 volume 0.64300E+00 ppm1 2.072 ppm2 1.191
OR { 5280}
(segid " " and resid "87 " and name "HB1 ")
(segid " " and resid "25 " and name "HB2 ")
OR { 5280}
(segid " " and resid "87 " and name "HB2 ")
(segid " " and resid "25 " and name "HB1 ")
OR { 5280}
(segid " " and resid "87 " and name "HB1 ")
(segid " " and resid "25 " and name "HB1 ")
ASSI { 4234}
(segid " " and resid "3 " and name "HB1 ")
(segid " " and resid "106 " and name "HD2 ")
3.400 1.400 1.400 peak 4234 weight 0.10000E+01 volume 0.26200E+00 ppm1 2.192 ppm2 6.777
OR { 4234}
(segid " " and resid "3 " and name "HB1 ")
(segid " " and resid "106 " and name "HE2 ")
ASSI { 1330}
(segid " " and resid "102 " and name "HB2 ")
(segid " " and resid "103 " and name "HD1 ")
3.700 1.700 1.700 peak 1330 weight 0.10000E+01 volume 0.16200E+00 ppm1 1.386 ppm2 7.069
ASSI { 4197}
(segid " " and resid "3 " and name "HB1 ")
(segid " " and resid "106 " and name "HD2 ")
3.100 1.200 1.200 peak 4197 weight 0.10000E+01 volume 0.34800E+00 ppm1 2.101 ppm2 6.808
ASSI { 6945}
(segid " " and resid "45 " and name "HG1 ")
(segid " " and resid "27 " and name "HB3 ")
3.200 1.300 1.300 peak 6945 weight 0.10000E+01 volume 0.23200E+00 ppm1 2.389 ppm2 1.406
OR { 6945}
(segid " " and resid "45 " and name "HG1 ")
(segid " " and resid "27 " and name "HB1 ")
OR { 6945}
(segid " " and resid "45 " and name "HG1 ")
(segid " " and resid "27 " and name "HB2 ")
OR { 6945}
(segid " " and resid "45 " and name "HG2 ")
(segid " " and resid "27 " and name "HB3 ")
OR { 6945}
(segid " " and resid "45 " and name "HG2 ")
(segid " " and resid "27 " and name "HB1 ")
OR { 6945}
(segid " " and resid "45 " and name "HG2 ")
(segid " " and resid "27 " and name "HB2 ")
ASSI { 4970}
(segid " " and resid "53 " and name "HB2 ")
(segid " " and resid "8 " and name "HB2 ")
2.300 0.700 0.700 peak 4970 weight 0.10000E+01 volume 0.10190E+01 ppm1 1.078 ppm2 1.730
OR { 4970}
(segid " " and resid "53 " and name "HB2 ")
(segid " " and resid "8 " and name "HB3 ")
OR { 4970}
(segid " " and resid "53 " and name "HB2 ")
(segid " " and resid "8 " and name "HB1 ")
ASSI { 5014}
(segid " " and resid "60 " and name "HB2 ")
(segid " " and resid "53 " and name "HD22")
2.500 0.800 0.800 peak 5014 weight 0.10000E+01 volume 0.18630E+01 ppm1 2.893 ppm2 0.761
OR { 5014}
(segid " " and resid "60 " and name "HB2 ")
(segid " " and resid "53 " and name "HD23")
OR { 5014}
(segid " " and resid "60 " and name "HB2 ")
(segid " " and resid "53 " and name "HD21")
ASSI { 1501}
(segid " " and resid "79 " and name "HB2 ")
(segid " " and resid "38 " and name "HD1 ")
3.300 1.400 1.400 peak 1501 weight 0.10000E+01 volume 0.23000E+00 ppm1 1.997 ppm2 7.368
OR { 1501}
(segid " " and resid "79 " and name "HB2 ")
(segid " " and resid "38 " and name "HD2 ")
ASSI { 4714}
(segid " " and resid "11 " and name "HE1 ")
(segid " " and resid "11 " and name "HD2 ")
1.800 0.400 0.400 peak 4714 weight 0.10000E+01 volume 0.35570E+01 ppm1 3.070 ppm2 1.611
OR { 4714}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "11 " and name "HD1 ")
OR { 4714}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "11 " and name "HD2 ")
OR { 4714}
(segid " " and resid "11 " and name "HE1 ")
(segid " " and resid "11 " and name "HD1 ")
ASSI { 4103}
(segid " " and resid "38 " and name "HB1 ")
(segid " " and resid "31 " and name "HE1 ")
3.100 1.200 1.200 peak 4103 weight 0.10000E+01 volume 0.47500E+00 ppm1 3.782 ppm2 6.937
ASSI { 5665}
(segid " " and resid "10 " and name "HD2 ")
(segid " " and resid "10 " and name "HA ")
3.200 1.300 1.300 peak 5665 weight 0.10000E+01 volume 0.27900E+00 ppm1 3.106 ppm2 5.214
ASSI { 5023}
(segid " " and resid "37 " and name "HD1 ")
(segid " " and resid "105 " and name "HB1 ")
3.400 1.400 1.400 peak 5023 weight 0.10000E+01 volume 0.11500E+00 ppm1 3.469 ppm2 2.928
ASSI { 5250}
(segid " " and resid "78 " and name "HA2 ")
(segid " " and resid "39 " and name "HD11")
3.300 1.400 1.400 peak 5250 weight 0.10000E+01 volume 0.72200E+00 ppm1 3.696 ppm2 0.912
OR { 5250}
(segid " " and resid "78 " and name "HA2 ")
(segid " " and resid "39 " and name "HD23")
OR { 5250}
(segid " " and resid "78 " and name "HA2 ")
(segid " " and resid "39 " and name "HD12")
OR { 5250}
(segid " " and resid "78 " and name "HA2 ")
(segid " " and resid "39 " and name "HD21")
OR { 5250}
(segid " " and resid "78 " and name "HA2 ")
(segid " " and resid "39 " and name "HD13")
ASSI { 5590}
(segid " " and resid "101 " and name "HA ")
(segid " " and resid "102 " and name "HB1 ")
3.300 1.400 1.400 peak 5590 weight 0.10000E+01 volume 0.23500E+00 ppm1 4.949 ppm2 1.604
ASSI { 6748}
(segid " " and resid "34 " and name "HD1 ")
(segid " " and resid "31 " and name "HE1 ")
3.200 1.300 1.300 peak 6748 weight 0.10000E+01 volume 0.39400E+00 ppm1 3.781 ppm2 6.935
ASSI { 4368}
(segid " " and resid "97 " and name "HA ")
(segid " " and resid "98 " and name "HG21")
3.700 1.700 1.700 peak 4368 weight 0.10000E+01 volume 0.39500E+00 ppm1 5.083 ppm2 0.895
OR { 4368}
(segid " " and resid "97 " and name "HA ")
(segid " " and resid "98 " and name "HG23")
OR { 4368}
(segid " " and resid "97 " and name "HA ")
(segid " " and resid "98 " and name "HG22")
ASSI { 4540}
(segid " " and resid "23 " and name "HA ")
(segid " " and resid "91 " and name "HG ")
2.400 0.700 0.700 peak 4540 weight 0.10000E+01 volume 0.17650E+01 ppm1 4.930 ppm2 1.459
ASSI { 5140}
(segid " " and resid "91 " and name "HA ")
(segid " " and resid "89 " and name "HE22")
3.200 1.300 1.300 peak 5140 weight 0.10000E+01 volume 0.77900E+00 ppm1 4.413 ppm2 6.782
ASSI { 4715}
(segid " " and resid "38 " and name "HA ")
(segid " " and resid "38 " and name "HB1 ")
2.700 0.900 0.900 peak 4715 weight 0.10000E+01 volume 0.90600E+00 ppm1 5.398 ppm2 3.775
ASSI { 4716}
(segid " " and resid "38 " and name "HA ")
(segid " " and resid "79 " and name "HB2 ")
3.400 1.400 1.400 peak 4716 weight 0.10000E+01 volume 0.19300E+00 ppm1 5.396 ppm2 1.998
ASSI { 5619}
(segid " " and resid "106 " and name "HA ")
(segid " " and resid "106 " and name "HD2 ")
2.800 1.000 1.000 peak 5619 weight 0.10000E+01 volume 0.19940E+01 ppm1 4.494 ppm2 6.832
ASSI { 4138}
(segid " " and resid "70 " and name "HA ")
(segid " " and resid "70 " and name "HD2 ")
2.800 1.000 1.000 peak 4138 weight 0.10000E+01 volume 0.15910E+01 ppm1 4.364 ppm2 7.018
OR { 4138}
(segid " " and resid "70 " and name "HA ")
(segid " " and resid "70 " and name "HD1 ")
ASSI { 4815}
(segid " " and resid "43 " and name "HA ")
(segid " " and resid "41 " and name "HG23")
3.800 1.800 1.800 peak 4815 weight 0.10000E+01 volume 0.33900E+00 ppm1 3.234 ppm2 0.699
OR { 4815}
(segid " " and resid "43 " and name "HA ")
(segid " " and resid "41 " and name "HG22")
OR { 4815}
(segid " " and resid "43 " and name "HA ")
(segid " " and resid "41 " and name "HG21")
ASSI { 4905}
(segid " " and resid "50 " and name "HA ")
(segid " " and resid "50 " and name "HB1 ")
2.700 0.900 0.900 peak 4905 weight 0.10000E+01 volume 0.92200E+00 ppm1 4.477 ppm2 3.032
ASSI { 4758}
(segid " " and resid "40 " and name "HA ")
(segid " " and resid "40 " and name "HG23")
2.600 0.800 0.800 peak 4758 weight 0.10000E+01 volume 0.30080E+01 ppm1 4.917 ppm2 1.236
OR { 4758}
(segid " " and resid "40 " and name "HA ")
(segid " " and resid "40 " and name "HG22")
OR { 4758}
(segid " " and resid "40 " and name "HA ")
(segid " " and resid "40 " and name "HG21")
ASSI { 4545}
(segid " " and resid "23 " and name "HB2 ")
(segid " " and resid "22 " and name "HG23")
2.700 0.900 0.900 peak 4545 weight 0.10000E+01 volume 0.12070E+01 ppm1 3.809 ppm2 0.777
OR { 4545}
(segid " " and resid "23 " and name "HB2 ")
(segid " " and resid "22 " and name "HG21")
OR { 4545}
(segid " " and resid "23 " and name "HB1 ")
(segid " " and resid "22 " and name "HG23")
OR { 4545}
(segid " " and resid "23 " and name "HB1 ")
(segid " " and resid "22 " and name "HG21")
OR { 4545}
(segid " " and resid "23 " and name "HB2 ")
(segid " " and resid "22 " and name "HG22")
OR { 4545}
(segid " " and resid "23 " and name "HB1 ")
(segid " " and resid "22 " and name "HG22")
ASSI { 5127}
(segid " " and resid "79 " and name "HE1 ")
(segid " " and resid "37 " and name "HB2 ")
3.300 1.400 1.400 peak 5127 weight 0.10000E+01 volume 0.34800E+00 ppm1 6.669 ppm2 1.586
OR { 5127}
(segid " " and resid "79 " and name "HE1 ")
(segid " " and resid "37 " and name "HG2 ")
ASSI { 5121}
(segid " " and resid "106 " and name "HE1 ")
(segid " " and resid "106 " and name "HB1 ")
2.900 1.100 1.100 peak 5121 weight 0.10000E+01 volume 0.81000E+00 ppm1 6.682 ppm2 3.042
OR { 5121}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "106 " and name "HB2 ")
OR { 5121}
(segid " " and resid "106 " and name "HE1 ")
(segid " " and resid "106 " and name "HB2 ")
OR { 5121}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "106 " and name "HB1 ")
ASSI { 4791}
(segid " " and resid "41 " and name "HD12")
(segid " " and resid "80 " and name "HA ")
4.700 2.800 1.300 peak 4791 weight 0.10000E+01 volume 0.10000E+00 ppm1 0.297 ppm2 5.264
OR { 4791}
(segid " " and resid "41 " and name "HD11")
(segid " " and resid "80 " and name "HA ")
OR { 4791}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "80 " and name "HA ")
ASSI { 4795}
(segid " " and resid "41 " and name "HD11")
(segid " " and resid "31 " and name "HB1 ")
3.500 1.500 1.500 peak 4795 weight 0.10000E+01 volume 0.21800E+00 ppm1 0.293 ppm2 2.660
OR { 4795}
(segid " " and resid "41 " and name "HD12")
(segid " " and resid "31 " and name "HB1 ")
OR { 4795}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "31 " and name "HB1 ")
ASSI { 6249}
(segid " " and resid "105 " and name "HD1 ")
(segid " " and resid "105 " and name "HB1 ")
2.900 1.100 1.100 peak 6249 weight 0.10000E+01 volume 0.73200E+00 ppm1 7.070 ppm2 2.908
OR { 6249}
(segid " " and resid "105 " and name "HD2 ")
(segid " " and resid "105 " and name "HB1 ")
ASSI { 5268}
(segid " " and resid "80 " and name "HD2 ")
(segid " " and resid "39 " and name "HB2 ")
3.400 1.400 1.400 peak 5268 weight 0.10000E+01 volume 0.32200E+00 ppm1 6.925 ppm2 1.444
ASSI { 4528}
(segid " " and resid "22 " and name "HD12")
(segid " " and resid "50 " and name "HA ")
3.800 1.800 1.800 peak 4528 weight 0.10000E+01 volume 0.34000E+00 ppm1 0.518 ppm2 4.505
OR { 4528}
(segid " " and resid "22 " and name "HD11")
(segid " " and resid "50 " and name "HA ")
OR { 4528}
(segid " " and resid "22 " and name "HD13")
(segid " " and resid "50 " and name "HA ")
ASSI { 5393}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "81 " and name "HG2 ")
2.800 1.000 1.000 peak 5393 weight 0.10000E+01 volume 0.79700E+00 ppm1 0.675 ppm2 1.848
OR { 5393}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "81 " and name "HB2 ")
OR { 5393}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "81 " and name "HG2 ")
OR { 5393}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "81 " and name "HB2 ")
OR { 5393}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "81 " and name "HG2 ")
ASSI { 4520}
(segid " " and resid "22 " and name "HG23")
(segid " " and resid "90 " and name "HA ")
3.400 1.400 1.400 peak 4520 weight 0.10000E+01 volume 0.41700E+00 ppm1 0.778 ppm2 4.020
OR { 4520}
(segid " " and resid "22 " and name "HG23")
(segid " " and resid "90 " and name "HB ")
OR { 4520}
(segid " " and resid "22 " and name "HG21")
(segid " " and resid "90 " and name "HA ")
OR { 4520}
(segid " " and resid "22 " and name "HG22")
(segid " " and resid "90 " and name "HA ")
OR { 4520}
(segid " " and resid "22 " and name "HG22")
(segid " " and resid "90 " and name "HB ")
ASSI { 6537}
(segid " " and resid "24 " and name "HE2 ")
(segid " " and resid "46 " and name "HA ")
4.600 2.600 1.400 peak 6537 weight 0.10000E+01 volume 0.10900E+00 ppm1 1.839 ppm2 4.519
OR { 6537}
(segid " " and resid "24 " and name "HE1 ")
(segid " " and resid "46 " and name "HA ")
OR { 6537}
(segid " " and resid "24 " and name "HE3 ")
(segid " " and resid "46 " and name "HA ")
ASSI { 7177}
(segid " " and resid "74 " and name "HB1 ")
(segid " " and resid "69 " and name "HD2 ")
4.300 2.300 1.700 peak 7177 weight 0.10000E+01 volume 0.19400E+00 ppm1 1.271 ppm2 6.843
OR { 7177}
(segid " " and resid "74 " and name "HB3 ")
(segid " " and resid "69 " and name "HD2 ")
OR { 7177}
(segid " " and resid "74 " and name "HB1 ")
(segid " " and resid "69 " and name "HD1 ")
OR { 7177}
(segid " " and resid "74 " and name "HB2 ")
(segid " " and resid "69 " and name "HD1 ")
OR { 7177}
(segid " " and resid "74 " and name "HB3 ")
(segid " " and resid "69 " and name "HD1 ")
ASSI { 4600}
(segid " " and resid "26 " and name "HG21")
(segid " " and resid "46 " and name "HA ")
3.400 1.400 1.400 peak 4600 weight 0.10000E+01 volume 0.64700E+00 ppm1 0.836 ppm2 4.519
OR { 4600}
(segid " " and resid "26 " and name "HG22")
(segid " " and resid "46 " and name "HA ")
OR { 4600}
(segid " " and resid "26 " and name "HG23")
(segid " " and resid "46 " and name "HA ")
ASSI { 4691}
(segid " " and resid "33 " and name "HB2 ")
(segid " " and resid "31 " and name "HE1 ")
3.700 1.700 1.700 peak 4691 weight 0.10000E+01 volume 0.47800E+00 ppm1 1.318 ppm2 6.934
OR { 4691}
(segid " " and resid "33 " and name "HB3 ")
(segid " " and resid "31 " and name "HE1 ")
OR { 4691}
(segid " " and resid "33 " and name "HB1 ")
(segid " " and resid "31 " and name "HE1 ")
ASSI { 5567}
(segid " " and resid "98 " and name "HG23")
(segid " " and resid "13 " and name "HB1 ")
3.000 1.100 1.100 peak 5567 weight 0.10000E+01 volume 0.64400E+00 ppm1 0.904 ppm2 4.090
OR { 5567}
(segid " " and resid "98 " and name "HG22")
(segid " " and resid "13 " and name "HB1 ")
OR { 5567}
(segid " " and resid "98 " and name "HG21")
(segid " " and resid "13 " and name "HB1 ")
ASSI { 5572}
(segid " " and resid "98 " and name "HG22")
(segid " " and resid "16 " and name "HG1 ")
4.500 2.500 1.500 peak 5572 weight 0.10000E+01 volume 0.48000E-01 ppm1 0.903 ppm2 2.458
OR { 5572}
(segid " " and resid "98 " and name "HG22")
(segid " " and resid "16 " and name "HG2 ")
OR { 5572}
(segid " " and resid "98 " and name "HG21")
(segid " " and resid "16 " and name "HG1 ")
OR { 5572}
(segid " " and resid "98 " and name "HG23")
(segid " " and resid "16 " and name "HG1 ")
ASSI { 4856}
(segid " " and resid "46 " and name "HG12")
(segid " " and resid "46 " and name "HA ")
2.600 0.800 0.800 peak 4856 weight 0.10000E+01 volume 0.30170E+01 ppm1 0.692 ppm2 4.513
OR { 4856}
(segid " " and resid "46 " and name "HG11")
(segid " " and resid "46 " and name "HA ")
OR { 4856}
(segid " " and resid "46 " and name "HG13")
(segid " " and resid "46 " and name "HA ")
ASSI { 4636}
(segid " " and resid "49 " and name "HG11")
(segid " " and resid "61 " and name "HB1 ")
2.900 1.100 1.100 peak 4636 weight 0.10000E+01 volume 0.67200E+00 ppm1 0.787 ppm2 3.175
OR { 4636}
(segid " " and resid "49 " and name "HG12")
(segid " " and resid "61 " and name "HB1 ")
OR { 4636}
(segid " " and resid "49 " and name "HG13")
(segid " " and resid "61 " and name "HB1 ")
ASSI { 5461}
(segid " " and resid "91 " and name "HD11")
(segid " " and resid "24 " and name "HG1 ")
2.700 0.900 0.900 peak 5461 weight 0.10000E+01 volume 0.97500E+00 ppm1 0.785 ppm2 2.189
OR { 5461}
(segid " " and resid "91 " and name "HD12")
(segid " " and resid "24 " and name "HG1 ")
OR { 5461}
(segid " " and resid "91 " and name "HD13")
(segid " " and resid "24 " and name "HG1 ")
ASSI { 4576}
(segid " " and resid "25 " and name "HB1 ")
(segid " " and resid "80 " and name "HE1 ")
4.400 2.400 1.600 peak 4576 weight 0.10000E+01 volume 0.13000E+00 ppm1 1.190 ppm2 6.955
OR { 4576}
(segid " " and resid "25 " and name "HB3 ")
(segid " " and resid "80 " and name "HE1 ")
OR { 4576}
(segid " " and resid "25 " and name "HB2 ")
(segid " " and resid "80 " and name "HE1 ")
ASSI { 5242}
(segid " " and resid "77 " and name "HD22")
(segid " " and resid "63 " and name "HA1 ")
4.100 2.100 1.900 peak 5242 weight 0.10000E+01 volume 0.17800E+00 ppm1 0.314 ppm2 5.099
OR { 5242}
(segid " " and resid "77 " and name "HD23")
(segid " " and resid "63 " and name "HA1 ")
OR { 5242}
(segid " " and resid "77 " and name "HD21")
(segid " " and resid "63 " and name "HA1 ")
ASSI { 7606}
(segid " " and resid "52 " and name "HG2 ")
(segid " " and resid "49 " and name "HG13")
3.500 1.500 1.500 peak 7606 weight 0.10000E+01 volume 0.21700E+00 ppm1 -0.806 ppm2 0.691
OR { 7606}
(segid " " and resid "52 " and name "HG2 ")
(segid " " and resid "49 " and name "HG11")
OR { 7606}
(segid " " and resid "52 " and name "HG2 ")
(segid " " and resid "49 " and name "HG12")
ASSI { 4744}
(segid " " and resid "39 " and name "HD13")
(segid " " and resid "47 " and name "HG13")
3.100 1.200 1.200 peak 4744 weight 0.10000E+01 volume 0.15470E+01 ppm1 0.973 ppm2 0.479
OR { 4744}
(segid " " and resid "39 " and name "HD13")
(segid " " and resid "47 " and name "HG12")
OR { 4744}
(segid " " and resid "39 " and name "HD13")
(segid " " and resid "47 " and name "HG11")
OR { 4744}
(segid " " and resid "39 " and name "HD12")
(segid " " and resid "47 " and name "HG13")
OR { 4744}
(segid " " and resid "39 " and name "HD11")
(segid " " and resid "47 " and name "HG13")
OR { 4744}
(segid " " and resid "39 " and name "HD11")
(segid " " and resid "47 " and name "HG12")
OR { 4744}
(segid " " and resid "39 " and name "HD11")
(segid " " and resid "47 " and name "HG11")
ASSI { 4354}
(segid " " and resid "12 " and name "HD13")
(segid " " and resid "54 " and name "HE2 ")
3.000 1.100 1.100 peak 4354 weight 0.10000E+01 volume 0.55900E+00 ppm1 0.797 ppm2 2.872
OR { 4354}
(segid " " and resid "12 " and name "HD13")
(segid " " and resid "54 " and name "HE1 ")
OR { 4354}
(segid " " and resid "12 " and name "HD11")
(segid " " and resid "54 " and name "HE2 ")
OR { 4354}
(segid " " and resid "12 " and name "HD11")
(segid " " and resid "54 " and name "HE1 ")
OR { 4354}
(segid " " and resid "12 " and name "HD12")
(segid " " and resid "54 " and name "HE2 ")
OR { 4354}
(segid " " and resid "12 " and name "HD12")
(segid " " and resid "54 " and name "HE1 ")
ASSI { 4745}
(segid " " and resid "39 " and name "HD13")
(segid " " and resid "41 " and name "HD12")
3.100 1.200 1.200 peak 4745 weight 0.10000E+01 volume 0.16110E+01 ppm1 0.973 ppm2 0.296
OR { 4745}
(segid " " and resid "39 " and name "HD11")
(segid " " and resid "41 " and name "HD12")
OR { 4745}
(segid " " and resid "39 " and name "HD13")
(segid " " and resid "41 " and name "HD13")
OR { 4745}
(segid " " and resid "39 " and name "HD12")
(segid " " and resid "41 " and name "HD12")
OR { 4745}
(segid " " and resid "39 " and name "HD11")
(segid " " and resid "41 " and name "HD13")
OR { 4745}
(segid " " and resid "39 " and name "HD12")
(segid " " and resid "41 " and name "HD13")
ASSI { 4997}
(segid " " and resid "54 " and name "HG1 ")
(segid " " and resid "11 " and name "HA ")
3.200 1.300 1.300 peak 4997 weight 0.10000E+01 volume 0.31600E+00 ppm1 1.361 ppm2 4.911
OR { 4997}
(segid " " and resid "54 " and name "HG2 ")
(segid " " and resid "11 " and name "HA ")
ASSI { 5002}
(segid " " and resid "92 " and name "HG1 ")
(segid " " and resid "93 " and name "HD2 ")
2.600 0.800 0.800 peak 5002 weight 0.10000E+01 volume 0.42300E+00 ppm1 1.359 ppm2 3.578
OR { 5002}
(segid " " and resid "92 " and name "HG2 ")
(segid " " and resid "93 " and name "HD2 ")
ASSI { 5236}
(segid " " and resid "77 " and name "HD11")
(segid " " and resid "77 " and name "HA ")
3.200 1.300 1.300 peak 5236 weight 0.10000E+01 volume 0.97400E+00 ppm1 0.526 ppm2 4.693
OR { 5236}
(segid " " and resid "77 " and name "HD13")
(segid " " and resid "77 " and name "HA ")
OR { 5236}
(segid " " and resid "77 " and name "HD12")
(segid " " and resid "77 " and name "HA ")
ASSI { 5237}
(segid " " and resid "77 " and name "HD12")
(segid " " and resid "64 " and name "HB2 ")
4.100 2.100 1.900 peak 5237 weight 0.10000E+01 volume 0.93000E-01 ppm1 0.529 ppm2 3.791
OR { 5237}
(segid " " and resid "77 " and name "HD11")
(segid " " and resid "64 " and name "HB2 ")
OR { 5237}
(segid " " and resid "77 " and name "HD12")
(segid " " and resid "64 " and name "HB1 ")
OR { 5237}
(segid " " and resid "77 " and name "HD13")
(segid " " and resid "64 " and name "HB1 ")
OR { 5237}
(segid " " and resid "77 " and name "HD11")
(segid " " and resid "64 " and name "HB1 ")
ASSI { 4291}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "105 " and name "HE2 ")
3.700 1.700 1.700 peak 4291 weight 0.10000E+01 volume 0.46900E+00 ppm1 1.718 ppm2 6.914
OR { 4291}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "105 " and name "HE1 ")
OR { 4291}
(segid " " and resid "8 " and name "HB3 ")
(segid " " and resid "105 " and name "HE2 ")
OR { 4291}
(segid " " and resid "8 " and name "HB1 ")
(segid " " and resid "105 " and name "HE2 ")
ASSI { 4987}
(segid " " and resid "53 " and name "HD22")
(segid " " and resid "53 " and name "HA ")
3.700 1.700 1.700 peak 4987 weight 0.10000E+01 volume 0.34200E+00 ppm1 0.789 ppm2 4.327
OR { 4987}
(segid " " and resid "53 " and name "HD21")
(segid " " and resid "53 " and name "HA ")
OR { 4987}
(segid " " and resid "53 " and name "HD23")
(segid " " and resid "53 " and name "HA ")
ASSI { 4989}
(segid " " and resid "53 " and name "HD23")
(segid " " and resid "60 " and name "HB1 ")
2.700 0.900 0.900 peak 4989 weight 0.10000E+01 volume 0.88400E+00 ppm1 0.791 ppm2 3.115
OR { 4989}
(segid " " and resid "53 " and name "HD22")
(segid " " and resid "60 " and name "HB1 ")
OR { 4989}
(segid " " and resid "53 " and name "HD21")
(segid " " and resid "60 " and name "HB1 ")
ASSI { 5365}
(segid " " and resid "84 " and name "HG11")
(segid " " and resid "81 " and name "HD2 ")
2.700 0.900 0.900 peak 5365 weight 0.10000E+01 volume 0.31500E+00 ppm1 1.633 ppm2 2.697
ASSI { 5371}
(segid " " and resid "84 " and name "HG12")
(segid " " and resid "84 " and name "HB ")
2.300 0.700 0.700 peak 5371 weight 0.10000E+01 volume 0.83200E+00 ppm1 1.197 ppm2 2.134
ASSI { 4820}
(segid " " and resid "43 " and name "HG1 ")
(segid " " and resid "29 " and name "HA ")
2.900 1.100 1.100 peak 4820 weight 0.10000E+01 volume 0.50000E+00 ppm1 1.432 ppm2 4.544
ASSI { 7553}
(segid " " and resid "37 " and name "HG1 ")
(segid " " and resid "37 " and name "HE ")
3.000 1.100 1.100 peak 7553 weight 0.10000E+01 volume 0.20200E+00 ppm1 1.805 ppm2 6.933
ASSI { 5364}
(segid " " and resid "37 " and name "HG2 ")
(segid " " and resid "37 " and name "HE ")
2.600 0.800 0.800 peak 5364 weight 0.10000E+01 volume 0.47600E+00 ppm1 1.627 ppm2 6.937
ASSI { 856}
(segid " " and resid "3 " and name "HG1 ")
(segid " " and resid "106 " and name "HE2 ")
3.800 1.800 1.800 peak 856 weight 0.10000E+01 volume 0.15600E+00 ppm1 2.026 ppm2 6.694
OR { 856}
(segid " " and resid "3 " and name "HG1 ")
(segid " " and resid "106 " and name "HD2 ")
ASSI { 5484}
(segid " " and resid "93 " and name "HG2 ")
(segid " " and resid "92 " and name "HA ")
3.300 1.400 1.400 peak 5484 weight 0.10000E+01 volume 0.24200E+00 ppm1 1.940 ppm2 4.612
OR { 5484}
(segid " " and resid "93 " and name "HG1 ")
(segid " " and resid "92 " and name "HA ")
ASSI { 4514}
(segid " " and resid "22 " and name "HG12")
(segid " " and resid "22 " and name "HB ")
2.400 0.700 0.700 peak 4514 weight 0.10000E+01 volume 0.84300E+00 ppm1 0.592 ppm2 1.258
ASSI { 1400}
(segid " " and resid "6 " and name "HD2 ")
(segid " " and resid "105 " and name "HD2 ")
3.300 1.400 1.400 peak 1400 weight 0.10000E+01 volume 0.31400E+00 ppm1 1.593 ppm2 7.076
OR { 1400}
(segid " " and resid "6 " and name "HD2 ")
(segid " " and resid "105 " and name "HD1 ")
OR { 1400}
(segid " " and resid "6 " and name "HD1 ")
(segid " " and resid "105 " and name "HD1 ")
ASSI { 5228}
(segid " " and resid "81 " and name "HB2 ")
(segid " " and resid "84 " and name "HD13")
3.200 1.300 1.300 peak 5228 weight 0.10000E+01 volume 0.38500E+00 ppm1 1.841 ppm2 0.673
OR { 5228}
(segid " " and resid "81 " and name "HB2 ")
(segid " " and resid "84 " and name "HD11")
OR { 5228}
(segid " " and resid "81 " and name "HB2 ")
(segid " " and resid "84 " and name "HD12")
ASSI { 5445}
(segid " " and resid "89 " and name "HB2 ")
(segid " " and resid "89 " and name "HA ")
2.200 0.600 0.600 peak 5445 weight 0.10000E+01 volume 0.25060E+01 ppm1 1.921 ppm2 4.534
OR { 5445}
(segid " " and resid "89 " and name "HB1 ")
(segid " " and resid "89 " and name "HA ")
ASSI { 5446}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "84 " and name "HG21")
2.700 0.900 0.900 peak 5446 weight 0.10000E+01 volume 0.11380E+01 ppm1 1.921 ppm2 0.775
OR { 5446}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "84 " and name "HG23")
OR { 5446}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "84 " and name "HG23")
OR { 5446}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "84 " and name "HG21")
ASSI { 4230}
(segid " " and resid "5 " and name "HB1 ")
(segid " " and resid "5 " and name "HD2 ")
3.400 1.400 1.400 peak 4230 weight 0.10000E+01 volume 0.88000E-01 ppm1 2.219 ppm2 3.285
ASSI { 4232}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "29 " and name "HE22")
3.400 1.400 1.400 peak 4232 weight 0.10000E+01 volume 0.20300E+00 ppm1 2.033 ppm2 6.922
OR { 4232}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "29 " and name "HE22")
ASSI { 4235}
(segid " " and resid "24 " and name "HG1 ")
(segid " " and resid "24 " and name "HA ")
2.600 0.800 0.800 peak 4235 weight 0.10000E+01 volume 0.10910E+01 ppm1 2.194 ppm2 4.913
ASSI { 4672}
(segid " " and resid "32 " and name "HG1 ")
(segid " " and resid "32 " and name "HA ")
2.800 1.000 1.000 peak 4672 weight 0.10000E+01 volume 0.74000E+00 ppm1 2.472 ppm2 4.506
ASSI { 4206}
(segid " " and resid "3 " and name "HB2 ")
(segid " " and resid "3 " and name "HD1 ")
2.600 0.800 0.800 peak 4206 weight 0.10000E+01 volume 0.42500E+00 ppm1 1.860 ppm2 3.580
ASSI { 4850}
(segid " " and resid "46 " and name "HB ")
(segid " " and resid "46 " and name "HG13")
2.200 0.600 0.600 peak 4850 weight 0.10000E+01 volume 0.33970E+01 ppm1 1.886 ppm2 0.697
OR { 4850}
(segid " " and resid "46 " and name "HB ")
(segid " " and resid "46 " and name "HG12")
OR { 4850}
(segid " " and resid "46 " and name "HB ")
(segid " " and resid "46 " and name "HG11")
ASSI { 6429}
(segid " " and resid "17 " and name "HG2 ")
(segid " " and resid "19 " and name "HB1 ")
3.100 1.200 1.200 peak 6429 weight 0.10000E+01 volume 0.15700E+00 ppm1 2.373 ppm2 3.521
OR { 6429}
(segid " " and resid "17 " and name "HG1 ")
(segid " " and resid "19 " and name "HB1 ")
ASSI { 4429}
(segid " " and resid "17 " and name "HG1 ")
(segid " " and resid "17 " and name "HA ")
2.400 0.700 0.700 peak 4429 weight 0.10000E+01 volume 0.17930E+01 ppm1 2.379 ppm2 4.384
OR { 4429}
(segid " " and resid "17 " and name "HG2 ")
(segid " " and resid "17 " and name "HA ")
ASSI { 4841}
(segid " " and resid "45 " and name "HG1 ")
(segid " " and resid "41 " and name "HG22")
3.300 1.400 1.400 peak 4841 weight 0.10000E+01 volume 0.29700E+00 ppm1 2.398 ppm2 0.697
OR { 4841}
(segid " " and resid "45 " and name "HG1 ")
(segid " " and resid "41 " and name "HG23")
OR { 4841}
(segid " " and resid "45 " and name "HG2 ")
(segid " " and resid "41 " and name "HG22")
OR { 4841}
(segid " " and resid "45 " and name "HG1 ")
(segid " " and resid "41 " and name "HG21")
OR { 4841}
(segid " " and resid "45 " and name "HG2 ")
(segid " " and resid "41 " and name "HG23")
OR { 4841}
(segid " " and resid "45 " and name "HG2 ")
(segid " " and resid "41 " and name "HG21")
ASSI { 4840}
(segid " " and resid "45 " and name "HG2 ")
(segid " " and resid "65 " and name "HG23")
3.200 1.300 1.300 peak 4840 weight 0.10000E+01 volume 0.41200E+00 ppm1 2.390 ppm2 1.039
OR { 4840}
(segid " " and resid "45 " and name "HG1 ")
(segid " " and resid "65 " and name "HG21")
OR { 4840}
(segid " " and resid "45 " and name "HG1 ")
(segid " " and resid "65 " and name "HG23")
OR { 4840}
(segid " " and resid "45 " and name "HG2 ")
(segid " " and resid "65 " and name "HG21")
OR { 4840}
(segid " " and resid "45 " and name "HG2 ")
(segid " " and resid "65 " and name "HG22")
OR { 4840}
(segid " " and resid "45 " and name "HG1 ")
(segid " " and resid "65 " and name "HG22")
ASSI { 4554}
(segid " " and resid "24 " and name "HB2 ")
(segid " " and resid "91 " and name "HD22")
2.600 0.800 0.800 peak 4554 weight 0.10000E+01 volume 0.12230E+01 ppm1 1.926 ppm2 0.730
OR { 4554}
(segid " " and resid "24 " and name "HB2 ")
(segid " " and resid "91 " and name "HD11")
OR { 4554}
(segid " " and resid "24 " and name "HB2 ")
(segid " " and resid "91 " and name "HD21")
OR { 4554}
(segid " " and resid "24 " and name "HB2 ")
(segid " " and resid "91 " and name "HD12")
ASSI { 4959}
(segid " " and resid "53 " and name "HB1 ")
(segid " " and resid "53 " and name "HG ")
2.300 0.700 0.700 peak 4959 weight 0.10000E+01 volume 0.11180E+01 ppm1 2.793 ppm2 1.729
ASSI { 3753}
(segid " " and resid "79 " and name "HB1 ")
(segid " " and resid "79 " and name "HB2 ")
2.100 0.600 0.600 peak 3753 weight 0.10000E+01 volume 0.14520E+01 ppm1 2.684 ppm2 2.006
ASSI { 4654}
(segid " " and resid "30 " and name "HB2 ")
(segid " " and resid "42 " and name "HA ")
3.000 1.100 1.100 peak 4654 weight 0.10000E+01 volume 0.41000E+00 ppm1 2.670 ppm2 5.267
OR { 4654}
(segid " " and resid "30 " and name "HB1 ")
(segid " " and resid "42 " and name "HA ")
ASSI { 4662}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "100 " and name "HG23")
2.600 0.800 0.800 peak 4662 weight 0.10000E+01 volume 0.12490E+01 ppm1 2.675 ppm2 0.886
OR { 4662}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "100 " and name "HG21")
OR { 4662}
(segid " " and resid "11 " and name "HE1 ")
(segid " " and resid "100 " and name "HG23")
OR { 4662}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "100 " and name "HG22")
OR { 4662}
(segid " " and resid "11 " and name "HE1 ")
(segid " " and resid "100 " and name "HG21")
ASSI { 5425}
(segid " " and resid "86 " and name "HD1 ")
(segid " " and resid "28 " and name "HD21")
2.700 0.900 0.900 peak 5425 weight 0.10000E+01 volume 0.10690E+01 ppm1 3.262 ppm2 0.790
OR { 5425}
(segid " " and resid "86 " and name "HD2 ")
(segid " " and resid "28 " and name "HD21")
OR { 5425}
(segid " " and resid "86 " and name "HD2 ")
(segid " " and resid "28 " and name "HD11")
OR { 5425}
(segid " " and resid "86 " and name "HD1 ")
(segid " " and resid "28 " and name "HD13")
OR { 5425}
(segid " " and resid "86 " and name "HD2 ")
(segid " " and resid "28 " and name "HD23")
OR { 5425}
(segid " " and resid "86 " and name "HD1 ")
(segid " " and resid "28 " and name "HD11")
OR { 5425}
(segid " " and resid "86 " and name "HD2 ")
(segid " " and resid "28 " and name "HD13")
OR { 5425}
(segid " " and resid "86 " and name "HD2 ")
(segid " " and resid "28 " and name "HD22")
ASSI { 4186}
(segid " " and resid "2 " and name "HA1 ")
(segid " " and resid "3 " and name "HG1 ")
3.300 1.400 1.400 peak 4186 weight 0.10000E+01 volume 0.34300E+00 ppm1 4.377 ppm2 2.049
OR { 4186}
(segid " " and resid "2 " and name "HA1 ")
(segid " " and resid "3 " and name "HB1 ")
ASSI { 5249}
(segid " " and resid "78 " and name "HA2 ")
(segid " " and resid "39 " and name "HG ")
2.800 1.000 1.000 peak 5249 weight 0.10000E+01 volume 0.57700E+00 ppm1 3.699 ppm2 1.580
OR { 5249}
(segid " " and resid "78 " and name "HA2 ")
(segid " " and resid "39 " and name "HB1 ")
ASSI { 4824}
(segid " " and resid "44 " and name "HA2 ")
(segid " " and resid "26 " and name "HG22")
3.000 1.100 1.100 peak 4824 weight 0.10000E+01 volume 0.12180E+01 ppm1 3.489 ppm2 0.844
OR { 4824}
(segid " " and resid "44 " and name "HA2 ")
(segid " " and resid "26 " and name "HG21")
OR { 4824}
(segid " " and resid "44 " and name "HA2 ")
(segid " " and resid "26 " and name "HG23")
ASSI { 5027}
(segid " " and resid "57 " and name "HA2 ")
(segid " " and resid "8 " and name "HB3 ")
2.900 1.100 1.100 peak 5027 weight 0.10000E+01 volume 0.11370E+01 ppm1 3.539 ppm2 1.715
OR { 5027}
(segid " " and resid "57 " and name "HA2 ")
(segid " " and resid "8 " and name "HB1 ")
OR { 5027}
(segid " " and resid "57 " and name "HA2 ")
(segid " " and resid "8 " and name "HB2 ")
ASSI { 5181}
(segid " " and resid "63 " and name "HA1 ")
(segid " " and resid "50 " and name "HD1 ")
3.200 1.300 1.300 peak 5181 weight 0.10000E+01 volume 0.92200E+00 ppm1 5.101 ppm2 7.131
ASSI { 5305}
(segid " " and resid "21 " and name "HD2 ")
(segid " " and resid "50 " and name "HE2 ")
3.200 1.300 1.300 peak 5305 weight 0.10000E+01 volume 0.39500E+00 ppm1 3.392 ppm2 7.113
OR { 5305}
(segid " " and resid "21 " and name "HD2 ")
(segid " " and resid "50 " and name "HZ ")
ASSI { 4686}
(segid " " and resid "33 " and name "HA ")
(segid " " and resid "34 " and name "HD1 ")
2.300 0.700 0.700 peak 4686 weight 0.10000E+01 volume 0.19310E+01 ppm1 4.036 ppm2 3.784
ASSI { 4220}
(segid " " and resid "4 " and name "HA ")
(segid " " and resid "4 " and name "HB1 ")
2.700 0.900 0.900 peak 4220 weight 0.10000E+01 volume 0.84800E+00 ppm1 5.052 ppm2 1.940
ASSI { 4611}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "41 " and name "HD13")
4.000 2.000 2.000 peak 4611 weight 0.10000E+01 volume 0.25900E+00 ppm1 4.563 ppm2 0.310
OR { 4611}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "41 " and name "HD11")
OR { 4611}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "41 " and name "HD12")
ASSI { 4448}
(segid " " and resid "20 " and name "HA ")
(segid " " and resid "21 " and name "HG2 ")
3.200 1.300 1.300 peak 4448 weight 0.10000E+01 volume 0.28000E+00 ppm1 4.980 ppm2 1.400
ASSI { 4446}
(segid " " and resid "20 " and name "HA ")
(segid " " and resid "21 " and name "HD2 ")
2.300 0.700 0.700 peak 4446 weight 0.10000E+01 volume 0.22870E+01 ppm1 4.987 ppm2 3.354
ASSI { 4343}
(segid " " and resid "12 " and name "HA ")
(segid " " and resid "12 " and name "HB2 ")
2.600 0.800 0.800 peak 4343 weight 0.10000E+01 volume 0.11750E+01 ppm1 5.266 ppm2 1.509
ASSI { 4329}
(segid " " and resid "11 " and name "HA ")
(segid " " and resid "53 " and name "HD11")
3.000 1.100 1.100 peak 4329 weight 0.10000E+01 volume 0.14250E+01 ppm1 4.903 ppm2 0.903
OR { 4329}
(segid " " and resid "11 " and name "HA ")
(segid " " and resid "53 " and name "HD13")
OR { 4329}
(segid " " and resid "11 " and name "HA ")
(segid " " and resid "53 " and name "HD12")
ASSI { 4957}
(segid " " and resid "91 " and name "HA ")
(segid " " and resid "91 " and name "HD12")
2.400 0.700 0.700 peak 4957 weight 0.10000E+01 volume 0.47130E+01 ppm1 4.366 ppm2 0.786
OR { 4957}
(segid " " and resid "91 " and name "HA ")
(segid " " and resid "91 " and name "HD13")
ASSI { 5578}
(segid " " and resid "99 " and name "HA ")
(segid " " and resid "99 " and name "HB1 ")
2.300 0.700 0.700 peak 5578 weight 0.10000E+01 volume 0.19620E+01 ppm1 4.595 ppm2 1.950
ASSI { 5601}
(segid " " and resid "103 " and name "HA ")
(segid " " and resid "103 " and name "HB1 ")
2.300 0.700 0.700 peak 5601 weight 0.10000E+01 volume 0.22550E+01 ppm1 4.360 ppm2 3.084
ASSI { 5400}
(segid " " and resid "85 " and name "HA ")
(segid " " and resid "27 " and name "HB2 ")
3.400 1.400 1.400 peak 5400 weight 0.10000E+01 volume 0.54700E+00 ppm1 5.340 ppm2 1.395
OR { 5400}
(segid " " and resid "85 " and name "HA ")
(segid " " and resid "27 " and name "HB1 ")
OR { 5400}
(segid " " and resid "85 " and name "HA ")
(segid " " and resid "27 " and name "HB3 ")
ASSI { 4665}
(segid " " and resid "31 " and name "HA ")
(segid " " and resid "84 " and name "HD11")
3.800 1.800 1.800 peak 4665 weight 0.10000E+01 volume 0.28500E+00 ppm1 4.602 ppm2 0.682
OR { 4665}
(segid " " and resid "31 " and name "HA ")
(segid " " and resid "84 " and name "HD13")
OR { 4665}
(segid " " and resid "31 " and name "HA ")
(segid " " and resid "84 " and name "HD12")
ASSI { 5555}
(segid " " and resid "98 " and name "HA ")
(segid " " and resid "98 " and name "HB ")
2.600 0.800 0.800 peak 5555 weight 0.10000E+01 volume 0.10820E+01 ppm1 4.428 ppm2 1.911
ASSI { 6440}
(segid " " and resid "19 " and name "HB2 ")
(segid " " and resid "17 " and name "HB2 ")
2.600 0.800 0.800 peak 6440 weight 0.10000E+01 volume 0.44000E+00 ppm1 3.770 ppm2 1.840
ASSI { 6442}
(segid " " and resid "23 " and name "HB1 ")
(segid " " and resid "90 " and name "HG23")
3.200 1.300 1.300 peak 6442 weight 0.10000E+01 volume 0.34900E+00 ppm1 3.806 ppm2 1.042
OR { 6442}
(segid " " and resid "23 " and name "HB2 ")
(segid " " and resid "90 " and name "HG23")
OR { 6442}
(segid " " and resid "23 " and name "HB1 ")
(segid " " and resid "90 " and name "HG21")
OR { 6442}
(segid " " and resid "23 " and name "HB2 ")
(segid " " and resid "90 " and name "HG21")
OR { 6442}
(segid " " and resid "23 " and name "HB2 ")
(segid " " and resid "90 " and name "HG22")
ASSI { 5198}
(segid " " and resid "64 " and name "HB1 ")
(segid " " and resid "74 " and name "HB2 ")
2.500 0.800 0.800 peak 5198 weight 0.10000E+01 volume 0.83500E+00 ppm1 3.832 ppm2 1.274
OR { 5198}
(segid " " and resid "64 " and name "HB2 ")
(segid " " and resid "74 " and name "HB2 ")
OR { 5198}
(segid " " and resid "64 " and name "HB1 ")
(segid " " and resid "74 " and name "HB3 ")
OR { 5198}
(segid " " and resid "64 " and name "HB1 ")
(segid " " and resid "74 " and name "HB1 ")
OR { 5198}
(segid " " and resid "64 " and name "HB2 ")
(segid " " and resid "74 " and name "HB3 ")
ASSI { 4937}
(segid " " and resid "51 " and name "HB1 ")
(segid " " and resid "22 " and name "HD12")
3.500 1.500 1.500 peak 4937 weight 0.10000E+01 volume 0.18600E+00 ppm1 3.955 ppm2 0.525
OR { 4937}
(segid " " and resid "51 " and name "HB1 ")
(segid " " and resid "22 " and name "HD11")
OR { 4937}
(segid " " and resid "51 " and name "HB1 ")
(segid " " and resid "22 " and name "HD13")
ASSI { 4942}
(segid " " and resid "51 " and name "HB2 ")
(segid " " and resid "53 " and name "HD13")
3.300 1.400 1.400 peak 4942 weight 0.10000E+01 volume 0.30100E+00 ppm1 3.615 ppm2 0.918
OR { 4942}
(segid " " and resid "51 " and name "HB2 ")
(segid " " and resid "53 " and name "HD11")
OR { 4942}
(segid " " and resid "51 " and name "HB2 ")
(segid " " and resid "53 " and name "HD12")
ASSI { 4729}
(segid " " and resid "38 " and name "HD1 ")
(segid " " and resid "38 " and name "HB2 ")
2.800 1.000 1.000 peak 4729 weight 0.10000E+01 volume 0.95300E+00 ppm1 7.349 ppm2 3.142
OR { 4729}
(segid " " and resid "38 " and name "HD2 ")
(segid " " and resid "38 " and name "HB2 ")
ASSI { 3722}
(segid " " and resid "31 " and name "HD1 ")
(segid " " and resid "31 " and name "HB1 ")
2.600 0.800 0.800 peak 3722 weight 0.10000E+01 volume 0.13140E+01 ppm1 7.401 ppm2 2.653
ASSI { 3813}
(segid " " and resid "42 " and name "HE1 ")
(segid " " and resid "40 " and name "HG21")
4.200 2.200 1.800 peak 3813 weight 0.10000E+01 volume 0.24000E+00 ppm1 8.554 ppm2 1.237
OR { 3813}
(segid " " and resid "42 " and name "HE1 ")
(segid " " and resid "40 " and name "HG23")
OR { 3813}
(segid " " and resid "42 " and name "HE1 ")
(segid " " and resid "40 " and name "HG22")
ASSI { 4535}
(segid " " and resid "22 " and name "HD11")
(segid " " and resid "22 " and name "HB ")
2.400 0.700 0.700 peak 4535 weight 0.10000E+01 volume 0.26980E+01 ppm1 0.518 ppm2 1.267
OR { 4535}
(segid " " and resid "22 " and name "HD13")
(segid " " and resid "22 " and name "HB ")
OR { 4535}
(segid " " and resid "22 " and name "HD12")
(segid " " and resid "22 " and name "HB ")
ASSI { 5387}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "84 " and name "HA ")
3.000 1.100 1.100 peak 5387 weight 0.10000E+01 volume 0.13250E+01 ppm1 0.674 ppm2 4.340
OR { 5387}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "84 " and name "HA ")
OR { 5387}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "84 " and name "HA ")
ASSI { 5385}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "80 " and name "HD1 ")
3.500 1.500 1.500 peak 5385 weight 0.10000E+01 volume 0.79500E+00 ppm1 0.670 ppm2 6.937
OR { 5385}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "80 " and name "HD1 ")
OR { 5385}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "80 " and name "HD1 ")
ASSI { 4383}
(segid " " and resid "14 " and name "HB1 ")
(segid " " and resid "22 " and name "HA ")
2.800 1.000 1.000 peak 4383 weight 0.10000E+01 volume 0.20450E+01 ppm1 1.251 ppm2 4.352
OR { 4383}
(segid " " and resid "14 " and name "HB3 ")
(segid " " and resid "22 " and name "HA ")
OR { 4383}
(segid " " and resid "14 " and name "HB2 ")
(segid " " and resid "22 " and name "HA ")
ASSI { 4615}
(segid " " and resid "27 " and name "HB3 ")
(segid " " and resid "43 " and name "HA ")
2.800 1.000 1.000 peak 4615 weight 0.10000E+01 volume 0.17350E+01 ppm1 1.396 ppm2 3.230
OR { 4615}
(segid " " and resid "27 " and name "HB2 ")
(segid " " and resid "43 " and name "HA ")
ASSI { 4697}
(segid " " and resid "33 " and name "HB2 ")
(segid " " and resid "38 " and name "HB1 ")
2.500 0.800 0.800 peak 4697 weight 0.10000E+01 volume 0.17270E+01 ppm1 1.320 ppm2 3.785
OR { 4697}
(segid " " and resid "33 " and name "HB3 ")
(segid " " and resid "38 " and name "HB1 ")
OR { 4697}
(segid " " and resid "33 " and name "HB1 ")
(segid " " and resid "38 " and name "HB1 ")
ASSI { 4695}
(segid " " and resid "33 " and name "HB1 ")
(segid " " and resid "32 " and name "HA ")
4.200 2.200 1.800 peak 4695 weight 0.10000E+01 volume 0.17400E+00 ppm1 1.317 ppm2 4.507
OR { 4695}
(segid " " and resid "33 " and name "HB2 ")
(segid " " and resid "32 " and name "HA ")
OR { 4695}
(segid " " and resid "33 " and name "HB3 ")
(segid " " and resid "32 " and name "HA ")
ASSI { 7534}
(segid " " and resid "47 " and name "HG12")
(segid " " and resid "80 " and name "HZ ")
3.200 1.300 1.300 peak 7534 weight 0.10000E+01 volume 0.12210E+01 ppm1 0.481 ppm2 7.147
OR { 7534}
(segid " " and resid "47 " and name "HG11")
(segid " " and resid "80 " and name "HZ ")
OR { 7534}
(segid " " and resid "47 " and name "HG13")
(segid " " and resid "80 " and name "HZ ")
ASSI { 5569}
(segid " " and resid "98 " and name "HG23")
(segid " " and resid "13 " and name "HB2 ")
3.000 1.100 1.100 peak 5569 weight 0.10000E+01 volume 0.58100E+00 ppm1 0.904 ppm2 3.371
OR { 5569}
(segid " " and resid "98 " and name "HG22")
(segid " " and resid "13 " and name "HB2 ")
OR { 5569}
(segid " " and resid "98 " and name "HG21")
(segid " " and resid "13 " and name "HB2 ")
ASSI { 4598}
(segid " " and resid "26 " and name "HG12")
(segid " " and resid "26 " and name "HB ")
2.200 0.600 0.600 peak 4598 weight 0.10000E+01 volume 0.40160E+01 ppm1 0.867 ppm2 1.809
OR { 4598}
(segid " " and resid "26 " and name "HG13")
(segid " " and resid "26 " and name "HB ")
OR { 4598}
(segid " " and resid "26 " and name "HG11")
(segid " " and resid "26 " and name "HB ")
ASSI { 4899}
(segid " " and resid "49 " and name "HG11")
(segid " " and resid "80 " and name "HE1 ")
4.400 2.400 1.600 peak 4899 weight 0.10000E+01 volume 0.19200E+00 ppm1 0.687 ppm2 6.975
OR { 4899}
(segid " " and resid "49 " and name "HG12")
(segid " " and resid "80 " and name "HE1 ")
OR { 4899}
(segid " " and resid "49 " and name "HG12")
(segid " " and resid "80 " and name "HE2 ")
OR { 4899}
(segid " " and resid "49 " and name "HG13")
(segid " " and resid "80 " and name "HE1 ")
OR { 4899}
(segid " " and resid "49 " and name "HG13")
(segid " " and resid "80 " and name "HE2 ")
ASSI { 5057}
(segid " " and resid "102 " and name "HG1 ")
(segid " " and resid "103 " and name "HN ")
3.500 1.500 1.500 peak 5057 weight 0.10000E+01 volume 0.18600E+00 ppm1 0.654 ppm2 7.388
ASSI { 4582}
(segid " " and resid "11 " and name "HG2 ")
(segid " " and resid "11 " and name "HE2 ")
2.600 0.800 0.800 peak 4582 weight 0.10000E+01 volume 0.53000E+00 ppm1 1.189 ppm2 2.500
OR { 4582}
(segid " " and resid "11 " and name "HG2 ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 4746}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "80 " and name "HD2 ")
3.500 1.500 1.500 peak 4746 weight 0.10000E+01 volume 0.65100E+00 ppm1 0.896 ppm2 6.946
OR { 4746}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "80 " and name "HD2 ")
OR { 4746}
(segid " " and resid "39 " and name "HD21")
(segid " " and resid "80 " and name "HD2 ")
OR { 4746}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "80 " and name "HE2 ")
ASSI { 5245}
(segid " " and resid "77 " and name "HD23")
(segid " " and resid "50 " and name "HB1 ")
3.300 1.400 1.400 peak 5245 weight 0.10000E+01 volume 0.36100E+00 ppm1 0.316 ppm2 3.047
OR { 5245}
(segid " " and resid "77 " and name "HD22")
(segid " " and resid "50 " and name "HB1 ")
OR { 5245}
(segid " " and resid "77 " and name "HD21")
(segid " " and resid "50 " and name "HB1 ")
ASSI { 5056}
(segid " " and resid "59 " and name "HD12")
(segid " " and resid "59 " and name "HA ")
3.200 1.300 1.300 peak 5056 weight 0.10000E+01 volume 0.75900E+00 ppm1 0.734 ppm2 3.970
OR { 5056}
(segid " " and resid "59 " and name "HD11")
(segid " " and resid "59 " and name "HA ")
OR { 5056}
(segid " " and resid "59 " and name "HD13")
(segid " " and resid "59 " and name "HA ")
ASSI { 4284}
(segid " " and resid "7 " and name "HD22")
(segid " " and resid "79 " and name "HB1 ")
3.400 1.400 1.400 peak 4284 weight 0.10000E+01 volume 0.29100E+00 ppm1 -0.066 ppm2 2.699
OR { 4284}
(segid " " and resid "7 " and name "HD23")
(segid " " and resid "79 " and name "HB1 ")
OR { 4284}
(segid " " and resid "7 " and name "HD21")
(segid " " and resid "79 " and name "HB1 ")
ASSI { 4741}
(segid " " and resid "39 " and name "HD11")
(segid " " and resid "78 " and name "HA2 ")
3.600 1.600 1.600 peak 4741 weight 0.10000E+01 volume 0.30200E+00 ppm1 0.971 ppm2 3.700
OR { 4741}
(segid " " and resid "39 " and name "HD12")
(segid " " and resid "78 " and name "HA2 ")
OR { 4741}
(segid " " and resid "39 " and name "HD13")
(segid " " and resid "78 " and name "HA2 ")
ASSI { 5043}
(segid " " and resid "8 " and name "HB1 ")
(segid " " and resid "8 " and name "HA ")
2.400 0.700 0.700 peak 5043 weight 0.10000E+01 volume 0.44990E+01 ppm1 1.723 ppm2 4.294
OR { 5043}
(segid " " and resid "8 " and name "HB3 ")
(segid " " and resid "8 " and name "HA ")
OR { 5043}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "8 " and name "HA ")
ASSI { 4270}
(segid " " and resid "7 " and name "HG ")
(segid " " and resid "7 " and name "HA ")
3.100 1.200 1.200 peak 4270 weight 0.10000E+01 volume 0.40500E+00 ppm1 0.863 ppm2 3.864
ASSI { 5373}
(segid " " and resid "59 " and name "HG ")
(segid " " and resid "59 " and name "HD13")
2.500 0.800 0.800 peak 5373 weight 0.10000E+01 volume 0.14570E+01 ppm1 1.195 ppm2 0.799
OR { 5373}
(segid " " and resid "59 " and name "HG ")
(segid " " and resid "59 " and name "HD12")
OR { 5373}
(segid " " and resid "59 " and name "HG ")
(segid " " and resid "59 " and name "HD11")
OR { 5373}
(segid " " and resid "59 " and name "HG ")
(segid " " and resid "59 " and name "HB2 ")
ASSI { 5366}
(segid " " and resid "84 " and name "HG11")
(segid " " and resid "85 " and name "HG11")
2.800 1.000 1.000 peak 5366 weight 0.10000E+01 volume 0.91600E+00 ppm1 1.629 ppm2 0.500
OR { 5366}
(segid " " and resid "84 " and name "HG11")
(segid " " and resid "85 " and name "HG12")
OR { 5366}
(segid " " and resid "84 " and name "HG11")
(segid " " and resid "85 " and name "HG13")
ASSI { 4821}
(segid " " and resid "43 " and name "HG2 ")
(segid " " and resid "29 " and name "HA ")
3.000 1.100 1.100 peak 4821 weight 0.10000E+01 volume 0.40900E+00 ppm1 1.315 ppm2 4.543
ASSI { 5052}
(segid " " and resid "59 " and name "HG ")
(segid " " and resid "59 " and name "HA ")
2.900 1.100 1.100 peak 5052 weight 0.10000E+01 volume 0.52700E+00 ppm1 1.285 ppm2 3.975
ASSI { 4348}
(segid " " and resid "12 " and name "HG ")
(segid " " and resid "12 " and name "HA ")
2.900 1.100 1.100 peak 4348 weight 0.10000E+01 volume 0.53100E+00 ppm1 1.324 ppm2 5.264
ASSI { 5053}
(segid " " and resid "77 " and name "HG ")
(segid " " and resid "77 " and name "HA ")
2.600 0.800 0.800 peak 5053 weight 0.10000E+01 volume 0.10190E+01 ppm1 1.288 ppm2 4.691
ASSI { 5458}
(segid " " and resid "41 " and name "HG11")
(segid " " and resid "47 " and name "HG22")
3.000 1.100 1.100 peak 5458 weight 0.10000E+01 volume 0.53300E+00 ppm1 1.447 ppm2 0.488
OR { 5458}
(segid " " and resid "41 " and name "HG11")
(segid " " and resid "47 " and name "HG23")
OR { 5458}
(segid " " and resid "41 " and name "HG11")
(segid " " and resid "47 " and name "HG21")
ASSI { 5292}
(segid " " and resid "81 " and name "HG2 ")
(segid " " and resid "31 " and name "HE2 ")
3.000 1.100 1.100 peak 5292 weight 0.10000E+01 volume 0.55600E+00 ppm1 1.893 ppm2 6.946
OR { 5292}
(segid " " and resid "81 " and name "HG1 ")
(segid " " and resid "31 " and name "HE2 ")
ASSI { 4407}
(segid " " and resid "16 " and name "HB2 ")
(segid " " and resid "96 " and name "HG11")
2.700 0.900 0.900 peak 4407 weight 0.10000E+01 volume 0.98500E+00 ppm1 2.110 ppm2 0.705
OR { 4407}
(segid " " and resid "16 " and name "HB2 ")
(segid " " and resid "96 " and name "HG13")
OR { 4407}
(segid " " and resid "16 " and name "HB2 ")
(segid " " and resid "96 " and name "HG12")
OR { 4407}
(segid " " and resid "16 " and name "HB1 ")
(segid " " and resid "96 " and name "HG13")
OR { 4407}
(segid " " and resid "16 " and name "HB1 ")
(segid " " and resid "96 " and name "HG12")
ASSI { 4428}
(segid " " and resid "17 " and name "HB2 ")
(segid " " and resid "19 " and name "HB1 ")
2.600 0.800 0.800 peak 4428 weight 0.10000E+01 volume 0.57900E+00 ppm1 1.836 ppm2 3.518
ASSI { 5010}
(segid " " and resid "54 " and name "HD2 ")
(segid " " and resid "54 " and name "HB1 ")
2.300 0.700 0.700 peak 5010 weight 0.10000E+01 volume 0.80200E+00 ppm1 1.451 ppm2 1.953
ASSI { 5468}
(segid " " and resid "92 " and name "HD2 ")
(segid " " and resid "92 " and name "HA ")
3.000 1.100 1.100 peak 5468 weight 0.10000E+01 volume 0.47700E+00 ppm1 1.489 ppm2 4.619
OR { 5468}
(segid " " and resid "92 " and name "HD1 ")
(segid " " and resid "92 " and name "HA ")
ASSI { 5150}
(segid " " and resid "66 " and name "HB2 ")
(segid " " and resid "66 " and name "HA ")
2.500 0.800 0.800 peak 5150 weight 0.10000E+01 volume 0.13860E+01 ppm1 1.902 ppm2 4.421
ASSI { 5227}
(segid " " and resid "81 " and name "HB2 ")
(segid " " and resid "84 " and name "HG22")
3.000 1.100 1.100 peak 5227 weight 0.10000E+01 volume 0.52500E+00 ppm1 1.829 ppm2 0.790
OR { 5227}
(segid " " and resid "81 " and name "HB2 ")
(segid " " and resid "84 " and name "HG23")
ASSI { 4569}
(segid " " and resid "24 " and name "HG2 ")
(segid " " and resid "24 " and name "HA ")
2.500 0.800 0.800 peak 4569 weight 0.10000E+01 volume 0.12430E+01 ppm1 2.034 ppm2 4.914
ASSI { 4198}
(segid " " and resid "34 " and name "HB1 ")
(segid " " and resid "34 " and name "HA ")
2.100 0.600 0.600 peak 4198 weight 0.10000E+01 volume 0.34070E+01 ppm1 2.131 ppm2 4.241
ASSI { 1143}
(segid " " and resid "99 " and name "HB1 ")
(segid " " and resid "10 " and name "HA ")
3.900 1.900 1.900 peak 1143 weight 0.10000E+01 volume 0.98000E-01 ppm1 1.945 ppm2 5.220
ASSI { 4117}
(segid " " and resid "61 " and name "HB1 ")
(segid " " and resid "80 " and name "HZ ")
3.800 1.800 1.800 peak 4117 weight 0.10000E+01 volume 0.14300E+00 ppm1 3.257 ppm2 7.136
ASSI { 4548}
(segid " " and resid "24 " and name "HB2 ")
(segid " " and resid "24 " and name "HA ")
2.500 0.800 0.800 peak 4548 weight 0.10000E+01 volume 0.14390E+01 ppm1 1.937 ppm2 4.910
ASSI { 4322}
(segid " " and resid "92 " and name "HB1 ")
(segid " " and resid "92 " and name "HA ")
2.500 0.800 0.800 peak 4322 weight 0.10000E+01 volume 0.13500E+01 ppm1 1.812 ppm2 4.602
ASSI { 4331}
(segid " " and resid "11 " and name "HB1 ")
(segid " " and resid "53 " and name "HD13")
2.500 0.800 0.800 peak 4331 weight 0.10000E+01 volume 0.15180E+01 ppm1 1.541 ppm2 0.910
OR { 4331}
(segid " " and resid "11 " and name "HB1 ")
(segid " " and resid "53 " and name "HD11")
OR { 4331}
(segid " " and resid "11 " and name "HB1 ")
(segid " " and resid "53 " and name "HD12")
ASSI { 5354}
(segid " " and resid "80 " and name "HB2 ")
(segid " " and resid "84 " and name "HD13")
3.200 1.300 1.300 peak 5354 weight 0.10000E+01 volume 0.32700E+00 ppm1 2.502 ppm2 0.679
OR { 5354}
(segid " " and resid "80 " and name "HB2 ")
(segid " " and resid "84 " and name "HD12")
OR { 5354}
(segid " " and resid "80 " and name "HB2 ")
(segid " " and resid "84 " and name "HD11")
ASSI { 5347}
(segid " " and resid "84 " and name "HB ")
(segid " " and resid "85 " and name "HG11")
3.100 1.200 1.200 peak 5347 weight 0.10000E+01 volume 0.45800E+00 ppm1 2.136 ppm2 0.499
OR { 5347}
(segid " " and resid "84 " and name "HB ")
(segid " " and resid "85 " and name "HG12")
OR { 5347}
(segid " " and resid "84 " and name "HB ")
(segid " " and resid "85 " and name "HG13")
ASSI { 5624}
(segid " " and resid "106 " and name "HB2 ")
(segid " " and resid "106 " and name "HA ")
2.700 0.900 0.900 peak 5624 weight 0.10000E+01 volume 0.88400E+00 ppm1 3.067 ppm2 4.505
OR { 5624}
(segid " " and resid "106 " and name "HB1 ")
(segid " " and resid "106 " and name "HA ")
ASSI { 5626}
(segid " " and resid "106 " and name "HB1 ")
(segid " " and resid "103 " and name "HE3 ")
3.300 1.400 1.400 peak 5626 weight 0.10000E+01 volume 0.30300E+00 ppm1 2.994 ppm2 7.059
OR { 5626}
(segid " " and resid "106 " and name "HB2 ")
(segid " " and resid "103 " and name "HE3 ")
ASSI { 4506}
(segid " " and resid "22 " and name "HB ")
(segid " " and resid "22 " and name "HG21")
2.400 0.700 0.700 peak 4506 weight 0.10000E+01 volume 0.21350E+01 ppm1 1.271 ppm2 0.782
OR { 4506}
(segid " " and resid "22 " and name "HB ")
(segid " " and resid "22 " and name "HG23")
OR { 4506}
(segid " " and resid "22 " and name "HB ")
(segid " " and resid "22 " and name "HG22")
ASSI { 4725}
(segid " " and resid "38 " and name "HB2 ")
(segid " " and resid "33 " and name "HA ")
3.100 1.200 1.200 peak 4725 weight 0.10000E+01 volume 0.27200E+00 ppm1 3.129 ppm2 4.042
ASSI { 4727}
(segid " " and resid "11 " and name "HE1 ")
(segid " " and resid "11 " and name "HD2 ")
2.300 0.700 0.700 peak 4727 weight 0.10000E+01 volume 0.11900E+01 ppm1 3.127 ppm2 1.318
OR { 4727}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "11 " and name "HD1 ")
OR { 4727}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "11 " and name "HD2 ")
OR { 4727}
(segid " " and resid "11 " and name "HE1 ")
(segid " " and resid "11 " and name "HD1 ")
OR { 4727}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "11 " and name "HG1 ")
ASSI { 4391}
(segid " " and resid "15 " and name "HB2 ")
(segid " " and resid "15 " and name "HA ")
2.400 0.700 0.700 peak 4391 weight 0.10000E+01 volume 0.16630E+01 ppm1 2.774 ppm2 4.673
ASSI { 3735}
(segid " " and resid "31 " and name "HB2 ")
(segid " " and resid "84 " and name "HD11")
2.600 0.800 0.800 peak 3735 weight 0.10000E+01 volume 0.12110E+01 ppm1 2.909 ppm2 0.681
OR { 3735}
(segid " " and resid "31 " and name "HB2 ")
(segid " " and resid "84 " and name "HD13")
OR { 3735}
(segid " " and resid "31 " and name "HB2 ")
(segid " " and resid "84 " and name "HD12")
ASSI { 4644}
(segid " " and resid "28 " and name "HB1 ")
(segid " " and resid "28 " and name "HA ")
2.400 0.700 0.700 peak 4644 weight 0.10000E+01 volume 0.15710E+01 ppm1 1.617 ppm2 4.275
OR { 4644}
(segid " " and resid "28 " and name "HB2 ")
(segid " " and resid "28 " and name "HA ")
ASSI { 4772}
(segid " " and resid "41 " and name "HB ")
(segid " " and resid "41 " and name "HD11")
2.500 0.800 0.800 peak 4772 weight 0.10000E+01 volume 0.15620E+01 ppm1 1.489 ppm2 0.290
OR { 4772}
(segid " " and resid "41 " and name "HB ")
(segid " " and resid "41 " and name "HD13")
ASSI { 5460}
(segid " " and resid "37 " and name "HD1 ")
(segid " " and resid "37 " and name "HB2 ")
2.700 0.900 0.900 peak 5460 weight 0.10000E+01 volume 0.37600E+00 ppm1 3.468 ppm2 1.469
ASSI { 4823}
(segid " " and resid "44 " and name "HA1 ")
(segid " " and resid "26 " and name "HG22")
3.300 1.400 1.400 peak 4823 weight 0.10000E+01 volume 0.82700E+00 ppm1 4.392 ppm2 0.844
OR { 4823}
(segid " " and resid "44 " and name "HA1 ")
(segid " " and resid "26 " and name "HG21")
OR { 4823}
(segid " " and resid "44 " and name "HA1 ")
(segid " " and resid "26 " and name "HG23")
ASSI { 5028}
(segid " " and resid "57 " and name "HA2 ")
(segid " " and resid "53 " and name "HD22")
3.600 1.600 1.600 peak 5028 weight 0.10000E+01 volume 0.33200E+00 ppm1 3.542 ppm2 0.792
OR { 5028}
(segid " " and resid "57 " and name "HA2 ")
(segid " " and resid "53 " and name "HD21")
OR { 5028}
(segid " " and resid "57 " and name "HA2 ")
(segid " " and resid "53 " and name "HD23")
ASSI { 5497}
(segid " " and resid "94 " and name "HA2 ")
(segid " " and resid "22 " and name "HG11")
3.300 1.400 1.400 peak 5497 weight 0.10000E+01 volume 0.23800E+00 ppm1 3.048 ppm2 1.765
ASSI { 5493}
(segid " " and resid "94 " and name "HA1 ")
(segid " " and resid "22 " and name "HG22")
3.400 1.400 1.400 peak 5493 weight 0.10000E+01 volume 0.65800E+00 ppm1 3.788 ppm2 0.777
OR { 5493}
(segid " " and resid "94 " and name "HA1 ")
(segid " " and resid "22 " and name "HG21")
OR { 5493}
(segid " " and resid "94 " and name "HA1 ")
(segid " " and resid "22 " and name "HG23")
ASSI { 5309}
(segid " " and resid "81 " and name "HD1 ")
(segid " " and resid "80 " and name "HB2 ")
2.600 0.800 0.800 peak 5309 weight 0.10000E+01 volume 0.47100E+00 ppm1 3.410 ppm2 2.516
ASSI { 4574}
(segid " " and resid "25 " and name "HA ")
(segid " " and resid "26 " and name "HG13")
3.700 1.700 1.700 peak 4574 weight 0.10000E+01 volume 0.40000E+00 ppm1 5.286 ppm2 0.847
OR { 4574}
(segid " " and resid "25 " and name "HA ")
(segid " " and resid "26 " and name "HG11")
OR { 4574}
(segid " " and resid "25 " and name "HA ")
(segid " " and resid "26 " and name "HG12")
ASSI { 4212}
(segid " " and resid "3 " and name "HD1 ")
(segid " " and resid "106 " and name "HE2 ")
3.500 1.500 1.500 peak 4212 weight 0.10000E+01 volume 0.25000E+00 ppm1 3.586 ppm2 6.690
ASSI { 955}
(segid " " and resid "93 " and name "HD1 ")
(segid " " and resid "92 " and name "HG1 ")
2.600 0.800 0.800 peak 955 weight 0.10000E+01 volume 0.47600E+00 ppm1 3.689 ppm2 1.337
OR { 955}
(segid " " and resid "93 " and name "HD1 ")
(segid " " and resid "92 " and name "HG2 ")
ASSI { 954}
(segid " " and resid "93 " and name "HD1 ")
(segid " " and resid "92 " and name "HD1 ")
2.400 2.400 2.600 peak 954 weight 0.10000E+01 volume 0.66200E+00 ppm1 3.691 ppm2 1.594
OR { 954}
(segid " " and resid "93 " and name "HD1 ")
(segid " " and resid "92 " and name "HB2 ")
ASSI { 4688}
(segid " " and resid "33 " and name "HA ")
(segid " " and resid "34 " and name "HG1 ")
3.200 1.300 1.300 peak 4688 weight 0.10000E+01 volume 0.28700E+00 ppm1 4.036 ppm2 1.499
ASSI { 4390}
(segid " " and resid "15 " and name "HA ")
(segid " " and resid "96 " and name "HG23")
3.000 1.100 1.100 peak 4390 weight 0.10000E+01 volume 0.13720E+01 ppm1 4.658 ppm2 0.703
OR { 4390}
(segid " " and resid "15 " and name "HA ")
(segid " " and resid "96 " and name "HG22")
OR { 4390}
(segid " " and resid "15 " and name "HA ")
(segid " " and resid "96 " and name "HG21")
OR { 4390}
(segid " " and resid "15 " and name "HA ")
(segid " " and resid "96 " and name "HG13")
ASSI { 6762}
(segid " " and resid "34 " and name "HD2 ")
(segid " " and resid "35 " and name "HN ")
3.000 1.100 1.100 peak 6762 weight 0.10000E+01 volume 0.40800E+00 ppm1 3.227 ppm2 7.371
ASSI { 6759}
(segid " " and resid "34 " and name "HD1 ")
(segid " " and resid "34 " and name "HG2 ")
2.100 0.600 0.600 peak 6759 weight 0.10000E+01 volume 0.14680E+01 ppm1 3.780 ppm2 1.321
ASSI { 6746}
(segid " " and resid "34 " and name "HD1 ")
(segid " " and resid "35 " and name "HN ")
3.100 1.200 1.200 peak 6746 weight 0.10000E+01 volume 0.35300E+00 ppm1 3.780 ppm2 7.362
ASSI { 4610}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "85 " and name "HG12")
2.700 0.900 0.900 peak 4610 weight 0.10000E+01 volume 0.26330E+01 ppm1 4.561 ppm2 0.502
OR { 4610}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "85 " and name "HG11")
OR { 4610}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "85 " and name "HG13")
ASSI { 4340}
(segid " " and resid "42 " and name "HA ")
(segid " " and resid "42 " and name "HB1 ")
2.400 0.700 0.700 peak 4340 weight 0.10000E+01 volume 0.16280E+01 ppm1 5.263 ppm2 3.193
ASSI { 4369}
(segid " " and resid "97 " and name "HA ")
(segid " " and resid "12 " and name "HD21")
2.700 0.900 0.900 peak 4369 weight 0.10000E+01 volume 0.26040E+01 ppm1 5.076 ppm2 0.729
OR { 4369}
(segid " " and resid "97 " and name "HA ")
(segid " " and resid "12 " and name "HD22")
OR { 4369}
(segid " " and resid "97 " and name "HA ")
(segid " " and resid "12 " and name "HD23")
ASSI { 4650}
(segid " " and resid "30 " and name "HA ")
(segid " " and resid "42 " and name "HA ")
2.600 0.800 0.800 peak 4650 weight 0.10000E+01 volume 0.22630E+01 ppm1 4.841 ppm2 5.265
ASSI { 4546}
(segid " " and resid "24 " and name "HA ")
(segid " " and resid "24 " and name "HB1 ")
2.400 0.700 0.700 peak 4546 weight 0.10000E+01 volume 0.19420E+01 ppm1 4.909 ppm2 1.793
ASSI { 4307}
(segid " " and resid "10 " and name "HA ")
(segid " " and resid "10 " and name "HB1 ")
2.500 0.800 0.800 peak 4307 weight 0.10000E+01 volume 0.14620E+01 ppm1 5.208 ppm2 1.992
ASSI { 7221}
(segid " " and resid "80 " and name "HA ")
(segid " " and resid "84 " and name "HD13")
4.300 2.300 1.700 peak 7221 weight 0.10000E+01 volume 0.15600E+00 ppm1 5.254 ppm2 0.673
OR { 7221}
(segid " " and resid "80 " and name "HA ")
(segid " " and resid "84 " and name "HD12")
OR { 7221}
(segid " " and resid "80 " and name "HA ")
(segid " " and resid "84 " and name "HD11")
ASSI { 5440}
(segid " " and resid "95 " and name "HA ")
(segid " " and resid "95 " and name "HG2 ")
2.400 0.700 0.700 peak 5440 weight 0.10000E+01 volume 0.15480E+01 ppm1 4.536 ppm2 1.264
OR { 5440}
(segid " " and resid "95 " and name "HA ")
(segid " " and resid "95 " and name "HG1 ")
ASSI { 7816}
(segid " " and resid "105 " and name "HA ")
(segid " " and resid "105 " and name "HD1 ")
3.500 1.500 1.500 peak 7816 weight 0.10000E+01 volume 0.53700E+00 ppm1 4.939 ppm2 7.074
OR { 7816}
(segid " " and resid "105 " and name "HA ")
(segid " " and resid "105 " and name "HD2 ")
ASSI { 5576}
(segid " " and resid "106 " and name "HA ")
(segid " " and resid "106 " and name "HB1 ")
3.100 1.200 1.200 peak 5576 weight 0.10000E+01 volume 0.34500E+00 ppm1 4.602 ppm2 3.113
ASSI { 4877}
(segid " " and resid "48 " and name "HA ")
(segid " " and resid "49 " and name "HG22")
4.100 2.100 1.900 peak 4877 weight 0.10000E+01 volume 0.21700E+00 ppm1 4.900 ppm2 1.113
OR { 4877}
(segid " " and resid "48 " and name "HA ")
(segid " " and resid "49 " and name "HG21")
OR { 4877}
(segid " " and resid "48 " and name "HA ")
(segid " " and resid "49 " and name "HG23")
ASSI { 5111}
(segid " " and resid "69 " and name "HA ")
(segid " " and resid "74 " and name "HB1 ")
3.800 1.800 1.800 peak 5111 weight 0.10000E+01 volume 0.30300E+00 ppm1 4.483 ppm2 1.279
OR { 5111}
(segid " " and resid "69 " and name "HA ")
(segid " " and resid "74 " and name "HB2 ")
OR { 5111}
(segid " " and resid "69 " and name "HA ")
(segid " " and resid "74 " and name "HB3 ")
ASSI { 3750}
(segid " " and resid "79 " and name "HA ")
(segid " " and resid "79 " and name "HD2 ")
3.100 1.200 1.200 peak 3750 weight 0.10000E+01 volume 0.11610E+01 ppm1 5.803 ppm2 6.943
ASSI { 4433}
(segid " " and resid "19 " and name "HA ")
(segid " " and resid "50 " and name "HE2 ")
3.700 1.700 1.700 peak 4433 weight 0.10000E+01 volume 0.39400E+00 ppm1 4.362 ppm2 7.124
ASSI { 4859}
(segid " " and resid "47 " and name "HA ")
(segid " " and resid "47 " and name "HB ")
3.900 1.900 1.900 peak 4859 weight 0.10000E+01 volume 0.99000E-01 ppm1 4.555 ppm2 1.544
ASSI { 4907}
(segid " " and resid "100 " and name "HA ")
(segid " " and resid "11 " and name "HE2 ")
2.900 1.100 1.100 peak 4907 weight 0.10000E+01 volume 0.58100E+00 ppm1 4.501 ppm2 2.665
OR { 4907}
(segid " " and resid "100 " and name "HA ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 5133}
(segid " " and resid "81 " and name "HA ")
(segid " " and resid "60 " and name "HA ")
3.000 1.100 1.100 peak 5133 weight 0.10000E+01 volume 0.10230E+01 ppm1 4.636 ppm2 5.161
ASSI { 4756}
(segid " " and resid "40 " and name "HA ")
(segid " " and resid "40 " and name "HB ")
2.500 0.800 0.800 peak 4756 weight 0.10000E+01 volume 0.12230E+01 ppm1 4.918 ppm2 4.048
ASSI { 4464}
(segid " " and resid "21 " and name "HA ")
(segid " " and resid "21 " and name "HG2 ")
3.000 1.100 1.100 peak 4464 weight 0.10000E+01 volume 0.44400E+00 ppm1 3.515 ppm2 1.398
ASSI { 4879}
(segid " " and resid "49 " and name "HA ")
(segid " " and resid "80 " and name "HE2 ")
4.100 2.100 1.900 peak 4879 weight 0.10000E+01 volume 0.22000E+00 ppm1 4.374 ppm2 6.963
OR { 4879}
(segid " " and resid "49 " and name "HA ")
(segid " " and resid "80 " and name "HE1 ")
ASSI { 4700}
(segid " " and resid "34 " and name "HA ")
(segid " " and resid "34 " and name "HD1 ")
3.200 1.300 1.300 peak 4700 weight 0.10000E+01 volume 0.27900E+00 ppm1 4.240 ppm2 3.785
ASSI { 5201}
(segid " " and resid "64 " and name "HB1 ")
(segid " " and resid "73 " and name "HD22")
3.500 1.500 1.500 peak 5201 weight 0.10000E+01 volume 0.19700E+00 ppm1 3.828 ppm2 0.760
OR { 5201}
(segid " " and resid "64 " and name "HB1 ")
(segid " " and resid "73 " and name "HD21")
OR { 5201}
(segid " " and resid "64 " and name "HB1 ")
(segid " " and resid "73 " and name "HD23")
OR { 5201}
(segid " " and resid "64 " and name "HB1 ")
(segid " " and resid "73 " and name "HD13")
OR { 5201}
(segid " " and resid "64 " and name "HB2 ")
(segid " " and resid "73 " and name "HD22")
OR { 5201}
(segid " " and resid "64 " and name "HB2 ")
(segid " " and resid "73 " and name "HD11")
OR { 5201}
(segid " " and resid "64 " and name "HB2 ")
(segid " " and resid "73 " and name "HD13")
OR { 5201}
(segid " " and resid "64 " and name "HB2 ")
(segid " " and resid "73 " and name "HD21")
OR { 5201}
(segid " " and resid "64 " and name "HB2 ")
(segid " " and resid "73 " and name "HD23")
ASSI { 5171}
(segid " " and resid "100 " and name "HB ")
(segid " " and resid "104 " and name "HB1 ")
2.600 0.800 0.800 peak 5171 weight 0.10000E+01 volume 0.42800E+00 ppm1 4.610 ppm2 1.596
ASSI { 4358}
(segid " " and resid "73 " and name "HD23")
(segid " " and resid "73 " and name "HA ")
2.700 0.900 0.900 peak 4358 weight 0.10000E+01 volume 0.26080E+01 ppm1 0.749 ppm2 4.228
OR { 4358}
(segid " " and resid "73 " and name "HD21")
(segid " " and resid "73 " and name "HA ")
OR { 4358}
(segid " " and resid "73 " and name "HD22")
(segid " " and resid "73 " and name "HA ")
ASSI { 3728}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "80 " and name "HA ")
4.100 2.100 1.900 peak 3728 weight 0.10000E+01 volume 0.23400E+00 ppm1 6.934 ppm2 5.249
ASSI { 7525}
(segid " " and resid "60 " and name "HZ ")
(segid " " and resid "60 " and name "HD2 ")
4.200 2.200 1.800 peak 7525 weight 0.10000E+01 volume 0.27000E+00 ppm1 7.346 ppm2 7.026
OR { 7525}
(segid " " and resid "60 " and name "HZ ")
(segid " " and resid "60 " and name "HD1 ")
ASSI { 4728}
(segid " " and resid "38 " and name "HD2 ")
(segid " " and resid "80 " and name "HA ")
3.800 1.800 1.800 peak 4728 weight 0.10000E+01 volume 0.34700E+00 ppm1 7.354 ppm2 5.246
OR { 4728}
(segid " " and resid "38 " and name "HD1 ")
(segid " " and resid "80 " and name "HA ")
ASSI { 3759}
(segid " " and resid "38 " and name "HD2 ")
(segid " " and resid "38 " and name "HB1 ")
2.700 0.900 0.900 peak 3759 weight 0.10000E+01 volume 0.11850E+01 ppm1 7.355 ppm2 3.777
OR { 3759}
(segid " " and resid "38 " and name "HD1 ")
(segid " " and resid "38 " and name "HB1 ")
ASSI { 6251}
(segid " " and resid "105 " and name "HD1 ")
(segid " " and resid "6 " and name "HG2 ")
3.400 1.400 1.400 peak 6251 weight 0.10000E+01 volume 0.27000E+00 ppm1 7.073 ppm2 1.350
OR { 6251}
(segid " " and resid "105 " and name "HD2 ")
(segid " " and resid "6 " and name "HG2 ")
ASSI { 3741}
(segid " " and resid "31 " and name "HD1 ")
(segid " " and resid "84 " and name "HD13")
3.400 1.400 1.400 peak 3741 weight 0.10000E+01 volume 0.83600E+00 ppm1 7.402 ppm2 0.675
OR { 3741}
(segid " " and resid "31 " and name "HD2 ")
(segid " " and resid "84 " and name "HD11")
OR { 3741}
(segid " " and resid "31 " and name "HD2 ")
(segid " " and resid "84 " and name "HD13")
OR { 3741}
(segid " " and resid "31 " and name "HD2 ")
(segid " " and resid "84 " and name "HD12")
ASSI { 4532}
(segid " " and resid "22 " and name "HD13")
(segid " " and resid "94 " and name "HA2 ")
3.300 1.400 1.400 peak 4532 weight 0.10000E+01 volume 0.77100E+00 ppm1 0.519 ppm2 3.048
OR { 4532}
(segid " " and resid "22 " and name "HD12")
(segid " " and resid "94 " and name "HA2 ")
OR { 4532}
(segid " " and resid "22 " and name "HD11")
(segid " " and resid "94 " and name "HA2 ")
ASSI { 4531}
(segid " " and resid "22 " and name "HD13")
(segid " " and resid "94 " and name "HA1 ")
3.300 1.400 1.400 peak 4531 weight 0.10000E+01 volume 0.67800E+00 ppm1 0.517 ppm2 3.794
OR { 4531}
(segid " " and resid "22 " and name "HD12")
(segid " " and resid "94 " and name "HA1 ")
OR { 4531}
(segid " " and resid "22 " and name "HD11")
(segid " " and resid "94 " and name "HA1 ")
ASSI { 4524}
(segid " " and resid "22 " and name "HG21")
(segid " " and resid "52 " and name "HE1 ")
2.800 1.000 1.000 peak 4524 weight 0.10000E+01 volume 0.97400E+00 ppm1 0.784 ppm2 1.640
OR { 4524}
(segid " " and resid "22 " and name "HG22")
(segid " " and resid "52 " and name "HE1 ")
OR { 4524}
(segid " " and resid "22 " and name "HG23")
(segid " " and resid "52 " and name "HE1 ")
ASSI { 5379}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "31 " and name "HB2 ")
3.300 1.400 1.400 peak 5379 weight 0.10000E+01 volume 0.37100E+00 ppm1 0.792 ppm2 2.905
OR { 5379}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "31 " and name "HB2 ")
ASSI { 4788}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "65 " and name "HG21")
3.400 1.400 1.400 peak 4788 weight 0.10000E+01 volume 0.89000E+00 ppm1 0.695 ppm2 1.040
OR { 4788}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "65 " and name "HG23")
OR { 4788}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "65 " and name "HG21")
OR { 4788}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "65 " and name "HG23")
OR { 4788}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "65 " and name "HG22")
OR { 4788}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "65 " and name "HG23")
ASSI { 7552}
(segid " " and resid "49 " and name "HG22")
(segid " " and resid "80 " and name "HZ ")
3.100 1.200 1.200 peak 7552 weight 0.10000E+01 volume 0.14200E+01 ppm1 1.117 ppm2 7.150
OR { 7552}
(segid " " and resid "49 " and name "HG23")
(segid " " and resid "80 " and name "HZ ")
OR { 7552}
(segid " " and resid "49 " and name "HG21")
(segid " " and resid "80 " and name "HZ ")
ASSI { 4896}
(segid " " and resid "49 " and name "HG21")
(segid " " and resid "49 " and name "HB ")
2.300 0.700 0.700 peak 4896 weight 0.10000E+01 volume 0.31940E+01 ppm1 1.116 ppm2 2.509
OR { 4896}
(segid " " and resid "49 " and name "HG23")
(segid " " and resid "49 " and name "HB ")
OR { 4896}
(segid " " and resid "49 " and name "HG22")
(segid " " and resid "49 " and name "HB ")
ASSI { 4979}
(segid " " and resid "53 " and name "HD11")
(segid " " and resid "53 " and name "HA ")
2.700 0.900 0.900 peak 4979 weight 0.10000E+01 volume 0.25140E+01 ppm1 0.900 ppm2 4.367
OR { 4979}
(segid " " and resid "53 " and name "HD13")
(segid " " and resid "53 " and name "HA ")
OR { 4979}
(segid " " and resid "53 " and name "HD12")
(segid " " and resid "53 " and name "HA ")
ASSI { 4982}
(segid " " and resid "53 " and name "HD12")
(segid " " and resid "7 " and name "HD23")
4.300 2.300 1.700 peak 4982 weight 0.10000E+01 volume 0.19700E+00 ppm1 0.899 ppm2 -0.075
OR { 4982}
(segid " " and resid "53 " and name "HD12")
(segid " " and resid "7 " and name "HD22")
OR { 4982}
(segid " " and resid "53 " and name "HD12")
(segid " " and resid "7 " and name "HD21")
OR { 4982}
(segid " " and resid "53 " and name "HD13")
(segid " " and resid "7 " and name "HD22")
OR { 4982}
(segid " " and resid "53 " and name "HD11")
(segid " " and resid "7 " and name "HD22")
OR { 4982}
(segid " " and resid "53 " and name "HD13")
(segid " " and resid "7 " and name "HD21")
ASSI { 4273}
(segid " " and resid "7 " and name "HD11")
(segid " " and resid "60 " and name "HZ ")
3.600 1.600 1.600 peak 4273 weight 0.10000E+01 volume 0.55500E+00 ppm1 0.527 ppm2 7.392
OR { 4273}
(segid " " and resid "7 " and name "HD11")
(segid " " and resid "60 " and name "HE2 ")
OR { 4273}
(segid " " and resid "7 " and name "HD12")
(segid " " and resid "60 " and name "HE1 ")
OR { 4273}
(segid " " and resid "7 " and name "HD11")
(segid " " and resid "60 " and name "HE1 ")
OR { 4273}
(segid " " and resid "7 " and name "HD12")
(segid " " and resid "60 " and name "HZ ")
OR { 4273}
(segid " " and resid "7 " and name "HD13")
(segid " " and resid "60 " and name "HE2 ")
ASSI { 4748}
(segid " " and resid "39 " and name "HD21")
(segid " " and resid "39 " and name "HA ")
2.700 0.900 0.900 peak 4748 weight 0.10000E+01 volume 0.26220E+01 ppm1 0.894 ppm2 4.657
OR { 4748}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "39 " and name "HA ")
ASSI { 4626}
(segid " " and resid "39 " and name "HD11")
(segid " " and resid "80 " and name "HD2 ")
3.000 1.100 1.100 peak 4626 weight 0.10000E+01 volume 0.17240E+01 ppm1 0.972 ppm2 6.942
OR { 4626}
(segid " " and resid "39 " and name "HD13")
(segid " " and resid "80 " and name "HD2 ")
OR { 4626}
(segid " " and resid "39 " and name "HD11")
(segid " " and resid "80 " and name "HE2 ")
OR { 4626}
(segid " " and resid "39 " and name "HD12")
(segid " " and resid "80 " and name "HD2 ")
ASSI { 4743}
(segid " " and resid "39 " and name "HD13")
(segid " " and resid "39 " and name "HB2 ")
2.400 0.700 0.700 peak 4743 weight 0.10000E+01 volume 0.20270E+01 ppm1 0.975 ppm2 1.455
OR { 4743}
(segid " " and resid "39 " and name "HD11")
(segid " " and resid "39 " and name "HB2 ")
OR { 4743}
(segid " " and resid "39 " and name "HD12")
(segid " " and resid "39 " and name "HB2 ")
ASSI { 5238}
(segid " " and resid "77 " and name "HD13")
(segid " " and resid "50 " and name "HB1 ")
3.000 1.100 1.100 peak 5238 weight 0.10000E+01 volume 0.56000E+00 ppm1 0.528 ppm2 3.036
OR { 5238}
(segid " " and resid "77 " and name "HD12")
(segid " " and resid "50 " and name "HB1 ")
OR { 5238}
(segid " " and resid "77 " and name "HD11")
(segid " " and resid "50 " and name "HB1 ")
ASSI { 6614}
(segid " " and resid "28 " and name "HD23")
(segid " " and resid "85 " and name "HA ")
4.500 2.500 1.500 peak 6614 weight 0.10000E+01 volume 0.12500E+00 ppm1 0.781 ppm2 5.350
OR { 6614}
(segid " " and resid "28 " and name "HD22")
(segid " " and resid "85 " and name "HA ")
OR { 6614}
(segid " " and resid "28 " and name "HD21")
(segid " " and resid "85 " and name "HA ")
ASSI { 4296}
(segid " " and resid "8 " and name "HB3 ")
(segid " " and resid "53 " and name "HD22")
2.600 0.800 0.800 peak 4296 weight 0.10000E+01 volume 0.36490E+01 ppm1 1.716 ppm2 0.792
OR { 4296}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "53 " and name "HD22")
OR { 4296}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "53 " and name "HD21")
OR { 4296}
(segid " " and resid "8 " and name "HB3 ")
(segid " " and resid "53 " and name "HD21")
OR { 4296}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "53 " and name "HD23")
OR { 4296}
(segid " " and resid "8 " and name "HB1 ")
(segid " " and resid "53 " and name "HD22")
ASSI { 4494}
(segid " " and resid "43 " and name "HG2 ")
(segid " " and resid "43 " and name "HE ")
2.800 1.000 1.000 peak 4494 weight 0.10000E+01 volume 0.31700E+00 ppm1 1.396 ppm2 7.119
OR { 4494}
(segid " " and resid "43 " and name "HG1 ")
(segid " " and resid "43 " and name "HE ")
ASSI { 5370}
(segid " " and resid "84 " and name "HG12")
(segid " " and resid "81 " and name "HD2 ")
2.900 1.100 1.100 peak 5370 weight 0.10000E+01 volume 0.21900E+00 ppm1 1.197 ppm2 2.696
ASSI { 4775}
(segid " " and resid "34 " and name "HG1 ")
(segid " " and resid "34 " and name "HD1 ")
2.200 0.600 0.600 peak 4775 weight 0.10000E+01 volume 0.12460E+01 ppm1 1.495 ppm2 3.790
ASSI { 4779}
(segid " " and resid "41 " and name "HG12")
(segid " " and resid "47 " and name "HG22")
3.100 1.200 1.200 peak 4779 weight 0.10000E+01 volume 0.44600E+00 ppm1 0.779 ppm2 0.481
OR { 4779}
(segid " " and resid "41 " and name "HG12")
(segid " " and resid "47 " and name "HG12")
OR { 4779}
(segid " " and resid "41 " and name "HG12")
(segid " " and resid "47 " and name "HG21")
OR { 4779}
(segid " " and resid "41 " and name "HG12")
(segid " " and resid "47 " and name "HG11")
ASSI { 5660}
(segid " " and resid "10 " and name "HG1 ")
(segid " " and resid "99 " and name "HA ")
2.800 1.000 1.000 peak 5660 weight 0.10000E+01 volume 0.56800E+00 ppm1 1.554 ppm2 4.602
OR { 5660}
(segid " " and resid "10 " and name "HG2 ")
(segid " " and resid "99 " and name "HA ")
ASSI { 4515}
(segid " " and resid "22 " and name "HG12")
(segid " " and resid "22 " and name "HG22")
2.900 1.100 1.100 peak 4515 weight 0.10000E+01 volume 0.72100E+00 ppm1 0.588 ppm2 0.778
OR { 4515}
(segid " " and resid "22 " and name "HG12")
(segid " " and resid "22 " and name "HG21")
OR { 4515}
(segid " " and resid "22 " and name "HG12")
(segid " " and resid "22 " and name "HG23")
ASSI { 5012}
(segid " " and resid "54 " and name "HD2 ")
(segid " " and resid "12 " and name "HD11")
3.000 1.100 1.100 peak 5012 weight 0.10000E+01 volume 0.61300E+00 ppm1 1.458 ppm2 0.750
OR { 5012}
(segid " " and resid "54 " and name "HD2 ")
(segid " " and resid "12 " and name "HD13")
OR { 5012}
(segid " " and resid "54 " and name "HD2 ")
(segid " " and resid "12 " and name "HD12")
OR { 5012}
(segid " " and resid "54 " and name "HD2 ")
(segid " " and resid "12 " and name "HD23")
OR { 5012}
(segid " " and resid "54 " and name "HD2 ")
(segid " " and resid "12 " and name "HD22")
ASSI { 5008}
(segid " " and resid "54 " and name "HD1 ")
(segid " " and resid "12 " and name "HD11")
2.400 0.700 0.700 peak 5008 weight 0.10000E+01 volume 0.21470E+01 ppm1 1.633 ppm2 0.751
OR { 5008}
(segid " " and resid "54 " and name "HD1 ")
(segid " " and resid "12 " and name "HD13")
OR { 5008}
(segid " " and resid "54 " and name "HD1 ")
(segid " " and resid "12 " and name "HD12")
OR { 5008}
(segid " " and resid "54 " and name "HD1 ")
(segid " " and resid "12 " and name "HD23")
ASSI { 4455}
(segid " " and resid "20 " and name "HB2 ")
(segid " " and resid "14 " and name "HB3 ")
2.800 1.000 1.000 peak 4455 weight 0.10000E+01 volume 0.55700E+00 ppm1 2.738 ppm2 1.259
OR { 4455}
(segid " " and resid "20 " and name "HB2 ")
(segid " " and resid "14 " and name "HB2 ")
OR { 4455}
(segid " " and resid "20 " and name "HB2 ")
(segid " " and resid "14 " and name "HB1 ")
ASSI { 7639}
(segid " " and resid "52 " and name "HD2 ")
(segid " " and resid "52 " and name "HB2 ")
2.600 0.800 0.800 peak 7639 weight 0.10000E+01 volume 0.41100E+00 ppm1 1.002 ppm2 1.441
ASSI { 4472}
(segid " " and resid "21 " and name "HB1 ")
(segid " " and resid "91 " and name "HD21")
2.600 0.800 0.800 peak 4472 weight 0.10000E+01 volume 0.12820E+01 ppm1 1.503 ppm2 0.770
OR { 4472}
(segid " " and resid "21 " and name "HB1 ")
(segid " " and resid "91 " and name "HD23")
OR { 4472}
(segid " " and resid "21 " and name "HB1 ")
(segid " " and resid "91 " and name "HD22")
ASSI { 4484}
(segid " " and resid "21 " and name "HB2 ")
(segid " " and resid "91 " and name "HD21")
2.900 1.100 1.100 peak 4484 weight 0.10000E+01 volume 0.71100E+00 ppm1 1.006 ppm2 0.771
OR { 4484}
(segid " " and resid "21 " and name "HB2 ")
(segid " " and resid "91 " and name "HD23")
OR { 4484}
(segid " " and resid "21 " and name "HB2 ")
(segid " " and resid "91 " and name "HD22")
ASSI { 5278}
(segid " " and resid "81 " and name "HB1 ")
(segid " " and resid "81 " and name "HA ")
2.700 0.900 0.900 peak 5278 weight 0.10000E+01 volume 0.80000E+00 ppm1 2.055 ppm2 4.651
ASSI { 4889}
(segid " " and resid "49 " and name "HB ")
(segid " " and resid "22 " and name "HD11")
3.000 1.100 1.100 peak 4889 weight 0.10000E+01 volume 0.40100E+00 ppm1 2.510 ppm2 0.522
OR { 4889}
(segid " " and resid "49 " and name "HB ")
(segid " " and resid "22 " and name "HD12")
OR { 4889}
(segid " " and resid "49 " and name "HB ")
(segid " " and resid "22 " and name "HD13")
ASSI { 4241}
(segid " " and resid "5 " and name "HB2 ")
(segid " " and resid "5 " and name "HD2 ")
2.800 1.000 1.000 peak 4241 weight 0.10000E+01 volume 0.30900E+00 ppm1 1.502 ppm2 3.283
ASSI { 5516}
(segid " " and resid "96 " and name "HB ")
(segid " " and resid "13 " and name "HB2 ")
2.800 1.000 1.000 peak 5516 weight 0.10000E+01 volume 0.26100E+00 ppm1 1.616 ppm2 3.374
ASSI { 4678}
(segid " " and resid "32 " and name "HB1 ")
(segid " " and resid "32 " and name "HA ")
2.200 0.600 0.600 peak 4678 weight 0.10000E+01 volume 0.26210E+01 ppm1 1.724 ppm2 4.505
OR { 4678}
(segid " " and resid "32 " and name "HB2 ")
(segid " " and resid "32 " and name "HA ")
ASSI { 6711}
(segid " " and resid "93 " and name "HB2 ")
(segid " " and resid "90 " and name "HG22")
3.100 3.100 1.900 peak 6711 weight 0.10000E+01 volume 0.41500E+00 ppm1 1.722 ppm2 1.021
OR { 6711}
(segid " " and resid "93 " and name "HB2 ")
(segid " " and resid "90 " and name "HG21")
OR { 6711}
(segid " " and resid "93 " and name "HB2 ")
(segid " " and resid "90 " and name "HG23")
ASSI { 6656}
(segid " " and resid "65 " and name "HB ")
(segid " " and resid "65 " and name "HA ")
2.500 0.800 0.800 peak 6656 weight 0.10000E+01 volume 0.14250E+01 ppm1 2.266 ppm2 4.661
ASSI { 1156}
(segid " " and resid "4 " and name "HB2 ")
(segid " " and resid "4 " and name "HG2 ")
3.200 1.300 1.300 peak 1156 weight 0.10000E+01 volume 0.13100E+00 ppm1 1.772 ppm2 2.551
ASSI { 5356}
(segid " " and resid "87 " and name "HG1 ")
(segid " " and resid "61 " and name "HH2 ")
3.100 1.200 1.200 peak 5356 weight 0.10000E+01 volume 0.44600E+00 ppm1 2.491 ppm2 7.143
ASSI { 5344}
(segid " " and resid "84 " and name "HB ")
(segid " " and resid "84 " and name "HG11")
2.300 0.700 0.700 peak 5344 weight 0.10000E+01 volume 0.84000E+00 ppm1 2.132 ppm2 1.633
ASSI { 5113}
(segid " " and resid "69 " and name "HB1 ")
(segid " " and resid "74 " and name "HB1 ")
3.500 1.500 1.500 peak 5113 weight 0.10000E+01 volume 0.23100E+00 ppm1 2.842 ppm2 1.272
OR { 5113}
(segid " " and resid "69 " and name "HB2 ")
(segid " " and resid "74 " and name "HB1 ")
OR { 5113}
(segid " " and resid "69 " and name "HB1 ")
(segid " " and resid "74 " and name "HB2 ")
OR { 5113}
(segid " " and resid "69 " and name "HB2 ")
(segid " " and resid "74 " and name "HB2 ")
OR { 5113}
(segid " " and resid "69 " and name "HB2 ")
(segid " " and resid "74 " and name "HB3 ")
ASSI { 4961}
(segid " " and resid "53 " and name "HB1 ")
(segid " " and resid "53 " and name "HD11")
2.800 1.000 1.000 peak 4961 weight 0.10000E+01 volume 0.88500E+00 ppm1 2.792 ppm2 0.896
OR { 4961}
(segid " " and resid "53 " and name "HB1 ")
(segid " " and resid "53 " and name "HD13")
OR { 4961}
(segid " " and resid "53 " and name "HB1 ")
(segid " " and resid "53 " and name "HD12")
ASSI { 5625}
(segid " " and resid "106 " and name "HB1 ")
(segid " " and resid "103 " and name "HA ")
2.700 0.900 0.900 peak 5625 weight 0.10000E+01 volume 0.87900E+00 ppm1 3.066 ppm2 4.354
OR { 5625}
(segid " " and resid "106 " and name "HB2 ")
(segid " " and resid "103 " and name "HA ")
ASSI { 4503}
(segid " " and resid "22 " and name "HB ")
(segid " " and resid "22 " and name "HA ")
3.000 1.100 1.100 peak 4503 weight 0.10000E+01 volume 0.46800E+00 ppm1 1.276 ppm2 4.348
ASSI { 4144}
(segid " " and resid "79 " and name "HB1 ")
(segid " " and resid "79 " and name "HD2 ")
2.700 0.900 0.900 peak 4144 weight 0.10000E+01 volume 0.10430E+01 ppm1 2.686 ppm2 6.940
OR { 4144}
(segid " " and resid "79 " and name "HB1 ")
(segid " " and resid "79 " and name "HD1 ")
ASSI { 5538}
(segid " " and resid "102 " and name "HE2 ")
(segid " " and resid "106 " and name "HE1 ")
3.500 1.500 1.500 peak 5538 weight 0.10000E+01 volume 0.24000E+00 ppm1 2.334 ppm2 6.692
OR { 5538}
(segid " " and resid "102 " and name "HE1 ")
(segid " " and resid "106 " and name "HE1 ")
ASSI { 5615}
(segid " " and resid "104 " and name "HB2 ")
(segid " " and resid "105 " and name "HD2 ")
3.600 1.600 1.600 peak 5615 weight 0.10000E+01 volume 0.18800E+00 ppm1 2.446 ppm2 7.086
OR { 5615}
(segid " " and resid "104 " and name "HB2 ")
(segid " " and resid "105 " and name "HD1 ")
ASSI { 7619}
(segid " " and resid "52 " and name "HE1 ")
(segid " " and resid "52 " and name "HD2 ")
2.500 0.800 0.800 peak 7619 weight 0.10000E+01 volume 0.64400E+00 ppm1 1.636 ppm2 0.980
ASSI { 5641}
(segid " " and resid "107 " and name "HB2 ")
(segid " " and resid "107 " and name "HA ")
2.600 0.800 0.800 peak 5641 weight 0.10000E+01 volume 0.94200E+00 ppm1 3.316 ppm2 4.792
ASSI { 4516}
(segid " " and resid "22 " and name "HG23")
(segid " " and resid "23 " and name "HA ")
4.100 2.100 1.900 peak 4516 weight 0.10000E+01 volume 0.21300E+00 ppm1 0.784 ppm2 4.930
OR { 4516}
(segid " " and resid "22 " and name "HG21")
(segid " " and resid "23 " and name "HA ")
OR { 4516}
(segid " " and resid "22 " and name "HG22")
(segid " " and resid "23 " and name "HA ")
ASSI { 5232}
(segid " " and resid "77 " and name "HB1 ")
(segid " " and resid "77 " and name "HD11")
2.500 0.800 0.800 peak 5232 weight 0.10000E+01 volume 0.16160E+01 ppm1 1.267 ppm2 0.527
OR { 5232}
(segid " " and resid "77 " and name "HB2 ")
(segid " " and resid "77 " and name "HD11")
OR { 5232}
(segid " " and resid "77 " and name "HB2 ")
(segid " " and resid "77 " and name "HD13")
OR { 5232}
(segid " " and resid "77 " and name "HB1 ")
(segid " " and resid "77 " and name "HD13")
OR { 5232}
(segid " " and resid "77 " and name "HB1 ")
(segid " " and resid "77 " and name "HD12")
ASSI { 5325}
(segid " " and resid "81 " and name "HD2 ")
(segid " " and resid "84 " and name "HG22")
3.500 1.500 1.500 peak 5325 weight 0.10000E+01 volume 0.17600E+00 ppm1 2.695 ppm2 0.801
OR { 5325}
(segid " " and resid "81 " and name "HD2 ")
(segid " " and resid "84 " and name "HG21")
ASSI { 5323}
(segid " " and resid "81 " and name "HD2 ")
(segid " " and resid "81 " and name "HD1 ")
2.000 0.500 0.500 peak 5323 weight 0.10000E+01 volume 0.21020E+01 ppm1 2.691 ppm2 3.412
ASSI { 5312}
(segid " " and resid "81 " and name "HD2 ")
(segid " " and resid "31 " and name "HD1 ")
3.300 1.400 1.400 peak 5312 weight 0.10000E+01 volume 0.34300E+00 ppm1 2.698 ppm2 7.389
OR { 5312}
(segid " " and resid "81 " and name "HD2 ")
(segid " " and resid "31 " and name "HD2 ")
ASSI { 4214}
(segid " " and resid "3 " and name "HD2 ")
(segid " " and resid "106 " and name "HE2 ")
3.400 1.400 1.400 peak 4214 weight 0.10000E+01 volume 0.28300E+00 ppm1 3.439 ppm2 6.693
ASSI { 5314}
(segid " " and resid "21 " and name "HD1 ")
(segid " " and resid "50 " and name "HE2 ")
3.500 1.500 1.500 peak 5314 weight 0.10000E+01 volume 0.23700E+00 ppm1 3.546 ppm2 7.118
OR { 5314}
(segid " " and resid "21 " and name "HD1 ")
(segid " " and resid "50 " and name "HZ ")
OR { 5314}
(segid " " and resid "21 " and name "HD1 ")
(segid " " and resid "50 " and name "HD2 ")
ASSI { 6292}
(segid " " and resid "8 " and name "HA ")
(segid " " and resid "56 " and name "HD1 ")
3.500 1.500 1.500 peak 6292 weight 0.10000E+01 volume 0.18900E+00 ppm1 4.272 ppm2 3.173
OR { 6292}
(segid " " and resid "8 " and name "HA ")
(segid " " and resid "56 " and name "HD2 ")
ASSI { 4218}
(segid " " and resid "4 " and name "HA ")
(segid " " and resid "4 " and name "HG2 ")
3.100 1.200 1.200 peak 4218 weight 0.10000E+01 volume 0.39300E+00 ppm1 5.043 ppm2 2.530
ASSI { 6772}
(segid " " and resid "34 " and name "HD2 ")
(segid " " and resid "34 " and name "HG2 ")
2.100 0.600 0.600 peak 6772 weight 0.10000E+01 volume 0.15760E+01 ppm1 3.230 ppm2 1.329
ASSI { 4341}
(segid " " and resid "42 " and name "HA ")
(segid " " and resid "42 " and name "HB2 ")
2.500 0.800 0.800 peak 4341 weight 0.10000E+01 volume 0.12250E+01 ppm1 5.263 ppm2 2.876
ASSI { 4308}
(segid " " and resid "10 " and name "HA ")
(segid " " and resid "100 " and name "HG22")
3.300 1.400 1.400 peak 4308 weight 0.10000E+01 volume 0.69500E+00 ppm1 5.208 ppm2 0.950
OR { 4308}
(segid " " and resid "10 " and name "HA ")
(segid " " and resid "100 " and name "HG23")
OR { 4308}
(segid " " and resid "10 " and name "HA ")
(segid " " and resid "100 " and name "HG21")
ASSI { 5253}
(segid " " and resid "80 " and name "HA ")
(segid " " and resid "81 " and name "HD2 ")
2.700 0.900 0.900 peak 5253 weight 0.10000E+01 volume 0.86400E+00 ppm1 5.254 ppm2 2.689
ASSI { 5455}
(segid " " and resid "53 " and name "HA ")
(segid " " and resid "11 " and name "HA ")
2.800 1.000 1.000 peak 5455 weight 0.10000E+01 volume 0.15550E+01 ppm1 4.370 ppm2 4.908
ASSI { 4259}
(segid " " and resid "53 " and name "HA ")
(segid " " and resid "53 " and name "HB2 ")
2.700 0.900 0.900 peak 4259 weight 0.10000E+01 volume 0.87900E+00 ppm1 4.366 ppm2 1.076
ASSI { 6231}
(segid " " and resid "6 " and name "HA ")
(segid " " and resid "6 " and name "HG1 ")
2.800 1.000 1.000 peak 6231 weight 0.10000E+01 volume 0.71200E+00 ppm1 2.879 ppm2 1.606
ASSI { 4717}
(segid " " and resid "38 " and name "HA ")
(segid " " and resid "33 " and name "HB2 ")
3.800 1.800 1.800 peak 4717 weight 0.10000E+01 volume 0.32300E+00 ppm1 5.396 ppm2 1.331
OR { 4717}
(segid " " and resid "38 " and name "HA ")
(segid " " and resid "33 " and name "HB3 ")
OR { 4717}
(segid " " and resid "38 " and name "HA ")
(segid " " and resid "33 " and name "HB1 ")
ASSI { 5210}
(segid " " and resid "70 " and name "HA ")
(segid " " and resid "70 " and name "HB2 ")
2.300 0.700 0.700 peak 5210 weight 0.10000E+01 volume 0.22490E+01 ppm1 4.371 ppm2 2.842
ASSI { 4663}
(segid " " and resid "31 " and name "HA ")
(segid " " and resid "31 " and name "HE2 ")
4.000 2.000 2.000 peak 4663 weight 0.10000E+01 volume 0.25900E+00 ppm1 4.605 ppm2 6.935
OR { 4663}
(segid " " and resid "31 " and name "HA ")
(segid " " and resid "31 " and name "HE1 ")
ASSI { 5592}
(segid " " and resid "102 " and name "HA ")
(segid " " and resid "102 " and name "HB1 ")
2.100 0.600 0.600 peak 5592 weight 0.10000E+01 volume 0.33500E+01 ppm1 4.003 ppm2 1.599
ASSI { 4397}
(segid " " and resid "16 " and name "HA ")
(segid " " and resid "98 " and name "HG13")
3.600 1.600 1.600 peak 4397 weight 0.10000E+01 volume 0.45800E+00 ppm1 3.913 ppm2 1.057
OR { 4397}
(segid " " and resid "16 " and name "HA ")
(segid " " and resid "98 " and name "HG12")
OR { 4397}
(segid " " and resid "16 " and name "HA ")
(segid " " and resid "98 " and name "HG11")
ASSI { 4765}
(segid " " and resid "41 " and name "HA ")
(segid " " and resid "41 " and name "HG11")
4.100 2.100 1.900 peak 4765 weight 0.10000E+01 volume 0.69000E-01 ppm1 4.399 ppm2 1.465
OR { 4765}
(segid " " and resid "41 " and name "HA ")
(segid " " and resid "41 " and name "HB ")
ASSI { 4903}
(segid " " and resid "50 " and name "HA ")
(segid " " and resid "50 " and name "HD1 ")
3.400 1.400 1.400 peak 4903 weight 0.10000E+01 volume 0.62700E+00 ppm1 4.482 ppm2 7.130
OR { 4903}
(segid " " and resid "50 " and name "HA ")
(segid " " and resid "50 " and name "HD2 ")
ASSI { 5327}
(segid " " and resid "82 " and name "HA ")
(segid " " and resid "80 " and name "HD1 ")
3.500 1.500 1.500 peak 5327 weight 0.10000E+01 volume 0.55500E+00 ppm1 2.878 ppm2 6.954
OR { 5327}
(segid " " and resid "82 " and name "HA ")
(segid " " and resid "80 " and name "HE1 ")
ASSI { 4847}
(segid " " and resid "46 " and name "HA ")
(segid " " and resid "47 " and name "HG21")
3.600 1.600 1.600 peak 4847 weight 0.10000E+01 volume 0.48600E+00 ppm1 4.501 ppm2 0.490
OR { 4847}
(segid " " and resid "46 " and name "HA ")
(segid " " and resid "47 " and name "HG22")
OR { 4847}
(segid " " and resid "46 " and name "HA ")
(segid " " and resid "47 " and name "HG23")
ASSI { 4843}
(segid " " and resid "46 " and name "HA ")
(segid " " and resid "46 " and name "HB ")
2.600 0.800 0.800 peak 4843 weight 0.10000E+01 volume 0.97300E+00 ppm1 4.502 ppm2 1.884
ASSI { 4228}
(segid " " and resid "5 " and name "HA ")
(segid " " and resid "5 " and name "HB2 ")
2.600 0.800 0.800 peak 4228 weight 0.10000E+01 volume 0.11060E+01 ppm1 4.223 ppm2 1.518
ASSI { 5510}
(segid " " and resid "96 " and name "HA ")
(segid " " and resid "96 " and name "HB ")
2.600 0.800 0.800 peak 5510 weight 0.10000E+01 volume 0.99000E+00 ppm1 4.018 ppm2 1.622
ASSI { 4882}
(segid " " and resid "49 " and name "HA ")
(segid " " and resid "49 " and name "HB ")
2.800 1.000 1.000 peak 4882 weight 0.10000E+01 volume 0.71800E+00 ppm1 4.375 ppm2 2.513
ASSI { 4878}
(segid " " and resid "49 " and name "HA ")
(segid " " and resid "80 " and name "HZ ")
3.600 1.600 1.600 peak 4878 weight 0.10000E+01 volume 0.51600E+00 ppm1 4.373 ppm2 7.138
ASSI { 5448}
(segid " " and resid "90 " and name "HA ")
(segid " " and resid "91 " and name "HG ")
3.100 1.200 1.200 peak 5448 weight 0.10000E+01 volume 0.35700E+00 ppm1 4.033 ppm2 1.462
ASSI { 4798}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "41 " and name "HG11")
2.100 0.600 0.600 peak 4798 weight 0.10000E+01 volume 0.49200E+01 ppm1 0.291 ppm2 1.467
OR { 4798}
(segid " " and resid "41 " and name "HD11")
(segid " " and resid "41 " and name "HB ")
OR { 4798}
(segid " " and resid "41 " and name "HD12")
(segid " " and resid "41 " and name "HG11")
OR { 4798}
(segid " " and resid "41 " and name "HD11")
(segid " " and resid "41 " and name "HG11")
ASSI { 4794}
(segid " " and resid "41 " and name "HD12")
(segid " " and resid "80 " and name "HB1 ")
3.100 1.200 1.200 peak 4794 weight 0.10000E+01 volume 0.52000E+00 ppm1 0.291 ppm2 3.466
OR { 4794}
(segid " " and resid "41 " and name "HD11")
(segid " " and resid "80 " and name "HB1 ")
OR { 4794}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "80 " and name "HB1 ")
ASSI { 5635}
(segid " " and resid "106 " and name "HD2 ")
(segid " " and resid "3 " and name "HG2 ")
3.400 1.400 1.400 peak 5635 weight 0.10000E+01 volume 0.26700E+00 ppm1 6.793 ppm2 1.882
OR { 5635}
(segid " " and resid "106 " and name "HD2 ")
(segid " " and resid "3 " and name "HB2 ")
ASSI { 4534}
(segid " " and resid "22 " and name "HD11")
(segid " " and resid "52 " and name "HE1 ")
2.600 0.800 0.800 peak 4534 weight 0.10000E+01 volume 0.14380E+01 ppm1 0.518 ppm2 1.648
OR { 4534}
(segid " " and resid "22 " and name "HD13")
(segid " " and resid "52 " and name "HE1 ")
OR { 4534}
(segid " " and resid "22 " and name "HD12")
(segid " " and resid "52 " and name "HE1 ")
ASSI { 5391}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "84 " and name "HB ")
2.400 0.700 0.700 peak 5391 weight 0.10000E+01 volume 0.20800E+01 ppm1 0.671 ppm2 2.133
OR { 5391}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "84 " and name "HB ")
OR { 5391}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "84 " and name "HB ")
ASSI { 4523}
(segid " " and resid "22 " and name "HG22")
(segid " " and resid "22 " and name "HG11")
2.700 0.900 0.900 peak 4523 weight 0.10000E+01 volume 0.10860E+01 ppm1 0.784 ppm2 1.766
OR { 4523}
(segid " " and resid "22 " and name "HG21")
(segid " " and resid "22 " and name "HG11")
OR { 4523}
(segid " " and resid "22 " and name "HG23")
(segid " " and resid "22 " and name "HG11")
ASSI { 5381}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "84 " and name "HG11")
2.600 0.800 0.800 peak 5381 weight 0.10000E+01 volume 0.13360E+01 ppm1 0.794 ppm2 1.632
OR { 5381}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "84 " and name "HG11")
OR { 5381}
(segid " " and resid "84 " and name "HG23")
(segid " " and resid "84 " and name "HG11")
ASSI { 5407}
(segid " " and resid "85 " and name "HG22")
(segid " " and resid "85 " and name "HA ")
3.200 1.300 1.300 peak 5407 weight 0.10000E+01 volume 0.89100E+00 ppm1 0.852 ppm2 5.333
OR { 5407}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "85 " and name "HA ")
OR { 5407}
(segid " " and resid "85 " and name "HG23")
(segid " " and resid "85 " and name "HA ")
ASSI { 4619}
(segid " " and resid "27 " and name "HB1 ")
(segid " " and resid "41 " and name "HG21")
2.500 0.800 0.800 peak 4619 weight 0.10000E+01 volume 0.52350E+01 ppm1 1.396 ppm2 0.692
OR { 4619}
(segid " " and resid "27 " and name "HB1 ")
(segid " " and resid "41 " and name "HG23")
OR { 4619}
(segid " " and resid "27 " and name "HB1 ")
(segid " " and resid "41 " and name "HG22")
OR { 4619}
(segid " " and resid "27 " and name "HB3 ")
(segid " " and resid "41 " and name "HG23")
OR { 4619}
(segid " " and resid "27 " and name "HB3 ")
(segid " " and resid "41 " and name "HG21")
OR { 4619}
(segid " " and resid "27 " and name "HB3 ")
(segid " " and resid "41 " and name "HG22")
ASSI { 4869}
(segid " " and resid "85 " and name "HG13")
(segid " " and resid "85 " and name "HB ")
2.300 0.700 0.700 peak 4869 weight 0.10000E+01 volume 0.26820E+01 ppm1 0.505 ppm2 1.821
OR { 4869}
(segid " " and resid "85 " and name "HG12")
(segid " " and resid "85 " and name "HB ")
OR { 4869}
(segid " " and resid "85 " and name "HG11")
(segid " " and resid "85 " and name "HB ")
ASSI { 4871}
(segid " " and resid "85 " and name "HG12")
(segid " " and resid "85 " and name "HA ")
2.700 0.900 0.900 peak 4871 weight 0.10000E+01 volume 0.25010E+01 ppm1 0.502 ppm2 5.342
OR { 4871}
(segid " " and resid "85 " and name "HG11")
(segid " " and resid "85 " and name "HA ")
OR { 4871}
(segid " " and resid "85 " and name "HG13")
(segid " " and resid "85 " and name "HA ")
ASSI { 5574}
(segid " " and resid "98 " and name "HG23")
(segid " " and resid "98 " and name "HB ")
2.400 0.700 0.700 peak 5574 weight 0.10000E+01 volume 0.24300E+01 ppm1 0.903 ppm2 1.910
OR { 5574}
(segid " " and resid "98 " and name "HG22")
(segid " " and resid "98 " and name "HB ")
OR { 5574}
(segid " " and resid "98 " and name "HG21")
(segid " " and resid "98 " and name "HB ")
ASSI { 5563}
(segid " " and resid "65 " and name "HG13")
(segid " " and resid "65 " and name "HB ")
2.200 0.600 0.600 peak 5563 weight 0.10000E+01 volume 0.32940E+01 ppm1 1.054 ppm2 2.266
OR { 5563}
(segid " " and resid "65 " and name "HG11")
(segid " " and resid "65 " and name "HB ")
OR { 5563}
(segid " " and resid "65 " and name "HG12")
(segid " " and resid "65 " and name "HB ")
ASSI { 4634}
(segid " " and resid "28 " and name "HD11")
(segid " " and resid "28 " and name "HA ")
2.500 0.800 0.800 peak 4634 weight 0.10000E+01 volume 0.46780E+01 ppm1 0.792 ppm2 4.274
OR { 4634}
(segid " " and resid "28 " and name "HD13")
(segid " " and resid "28 " and name "HA ")
OR { 4634}
(segid " " and resid "28 " and name "HD12")
(segid " " and resid "28 " and name "HA ")
ASSI { 4893}
(segid " " and resid "49 " and name "HG23")
(segid " " and resid "61 " and name "HZ3 ")
3.700 1.700 1.700 peak 4893 weight 0.10000E+01 volume 0.51700E+00 ppm1 1.114 ppm2 6.745
OR { 4893}
(segid " " and resid "49 " and name "HG21")
(segid " " and resid "61 " and name "HZ3 ")
OR { 4893}
(segid " " and resid "49 " and name "HG22")
(segid " " and resid "61 " and name "HZ3 ")
ASSI { 4578}
(segid " " and resid "25 " and name "HB2 ")
(segid " " and resid "25 " and name "HA ")
2.500 0.800 0.800 peak 4578 weight 0.10000E+01 volume 0.43220E+01 ppm1 1.190 ppm2 5.296
OR { 4578}
(segid " " and resid "25 " and name "HB3 ")
(segid " " and resid "25 " and name "HA ")
OR { 4578}
(segid " " and resid "25 " and name "HB1 ")
(segid " " and resid "25 " and name "HA ")
ASSI { 4577}
(segid " " and resid "25 " and name "HB2 ")
(segid " " and resid "61 " and name "HZ3 ")
4.200 2.200 1.800 peak 4577 weight 0.10000E+01 volume 0.22600E+00 ppm1 1.191 ppm2 6.749
OR { 4577}
(segid " " and resid "25 " and name "HB1 ")
(segid " " and resid "61 " and name "HZ3 ")
OR { 4577}
(segid " " and resid "25 " and name "HB3 ")
(segid " " and resid "61 " and name "HZ3 ")
ASSI { 5240}
(segid " " and resid "77 " and name "HD23")
(segid " " and resid "50 " and name "HD2 ")
3.400 1.400 1.400 peak 5240 weight 0.10000E+01 volume 0.80800E+00 ppm1 0.315 ppm2 7.129
OR { 5240}
(segid " " and resid "77 " and name "HD23")
(segid " " and resid "50 " and name "HD1 ")
OR { 5240}
(segid " " and resid "77 " and name "HD22")
(segid " " and resid "50 " and name "HD1 ")
OR { 5240}
(segid " " and resid "77 " and name "HD21")
(segid " " and resid "50 " and name "HD1 ")
OR { 5240}
(segid " " and resid "77 " and name "HD22")
(segid " " and resid "50 " and name "HD2 ")
OR { 5240}
(segid " " and resid "77 " and name "HD22")
(segid " " and resid "50 " and name "HE1 ")
ASSI { 5246}
(segid " " and resid "77 " and name "HD22")
(segid " " and resid "50 " and name "HB2 ")
3.300 1.400 1.400 peak 5246 weight 0.10000E+01 volume 0.34000E+00 ppm1 0.315 ppm2 2.814
OR { 5246}
(segid " " and resid "77 " and name "HD23")
(segid " " and resid "50 " and name "HB2 ")
OR { 5246}
(segid " " and resid "77 " and name "HD21")
(segid " " and resid "50 " and name "HB2 ")
ASSI { 4287}
(segid " " and resid "7 " and name "HD22")
(segid " " and resid "7 " and name "HG ")
2.200 0.600 0.600 peak 4287 weight 0.10000E+01 volume 0.38360E+01 ppm1 -0.065 ppm2 0.883
OR { 4287}
(segid " " and resid "7 " and name "HD23")
(segid " " and resid "7 " and name "HG ")
OR { 4287}
(segid " " and resid "7 " and name "HD21")
(segid " " and resid "7 " and name "HG ")
ASSI { 4738}
(segid " " and resid "39 " and name "HD12")
(segid " " and resid "64 " and name "HA ")
3.100 1.200 1.200 peak 4738 weight 0.10000E+01 volume 0.11200E+01 ppm1 0.973 ppm2 5.237
OR { 4738}
(segid " " and resid "39 " and name "HD13")
(segid " " and resid "64 " and name "HA ")
OR { 4738}
(segid " " and resid "39 " and name "HD11")
(segid " " and resid "64 " and name "HA ")
ASSI { 5235}
(segid " " and resid "77 " and name "HD13")
(segid " " and resid "50 " and name "HD2 ")
3.700 1.700 1.700 peak 5235 weight 0.10000E+01 volume 0.51100E+00 ppm1 0.528 ppm2 7.132
OR { 5235}
(segid " " and resid "77 " and name "HD12")
(segid " " and resid "50 " and name "HD2 ")
OR { 5235}
(segid " " and resid "77 " and name "HD13")
(segid " " and resid "50 " and name "HD1 ")
OR { 5235}
(segid " " and resid "77 " and name "HD11")
(segid " " and resid "50 " and name "HD2 ")
OR { 5235}
(segid " " and resid "77 " and name "HD12")
(segid " " and resid "50 " and name "HD1 ")
ASSI { 5239}
(segid " " and resid "77 " and name "HD13")
(segid " " and resid "50 " and name "HB2 ")
3.000 1.100 1.100 peak 5239 weight 0.10000E+01 volume 0.54800E+00 ppm1 0.526 ppm2 2.813
OR { 5239}
(segid " " and resid "77 " and name "HD12")
(segid " " and resid "50 " and name "HB2 ")
OR { 5239}
(segid " " and resid "77 " and name "HD11")
(segid " " and resid "50 " and name "HB2 ")
ASSI { 4293}
(segid " " and resid "8 " and name "HB3 ")
(segid " " and resid "53 " and name "HB1 ")
2.700 0.900 0.900 peak 4293 weight 0.10000E+01 volume 0.10820E+01 ppm1 1.718 ppm2 2.798
OR { 4293}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "53 " and name "HB1 ")
OR { 4293}
(segid " " and resid "8 " and name "HB1 ")
(segid " " and resid "53 " and name "HB1 ")
ASSI { 4485}
(segid " " and resid "21 " and name "HG1 ")
(segid " " and resid "21 " and name "HD1 ")
2.300 0.700 0.700 peak 4485 weight 0.10000E+01 volume 0.87100E+00 ppm1 1.731 ppm2 3.548
ASSI { 4493}
(segid " " and resid "21 " and name "HG2 ")
(segid " " and resid "21 " and name "HD2 ")
2.300 0.700 0.700 peak 4493 weight 0.10000E+01 volume 0.93000E+00 ppm1 1.400 ppm2 3.381
ASSI { 4492}
(segid " " and resid "21 " and name "HG2 ")
(segid " " and resid "21 " and name "HD1 ")
2.300 0.700 0.700 peak 4492 weight 0.10000E+01 volume 0.89300E+00 ppm1 1.400 ppm2 3.543
ASSI { 5372}
(segid " " and resid "84 " and name "HG12")
(segid " " and resid "85 " and name "HG11")
2.700 0.900 0.900 peak 5372 weight 0.10000E+01 volume 0.11340E+01 ppm1 1.196 ppm2 0.500
OR { 5372}
(segid " " and resid "84 " and name "HG12")
(segid " " and resid "85 " and name "HG12")
OR { 5372}
(segid " " and resid "84 " and name "HG12")
(segid " " and resid "85 " and name "HG13")
ASSI { 5664}
(segid " " and resid "10 " and name "HG1 ")
(segid " " and resid "10 " and name "HB1 ")
2.000 0.500 0.500 peak 5664 weight 0.10000E+01 volume 0.19220E+01 ppm1 1.553 ppm2 1.987
OR { 5664}
(segid " " and resid "10 " and name "HG2 ")
(segid " " and resid "10 " and name "HB1 ")
ASSI { 5659}
(segid " " and resid "10 " and name "HG1 ")
(segid " " and resid "10 " and name "HA ")
2.700 0.900 0.900 peak 5659 weight 0.10000E+01 volume 0.84200E+00 ppm1 1.557 ppm2 5.212
OR { 5659}
(segid " " and resid "10 " and name "HG2 ")
(segid " " and resid "10 " and name "HA ")
ASSI { 4424}
(segid " " and resid "17 " and name "HB1 ")
(segid " " and resid "17 " and name "HA ")
2.400 0.700 0.700 peak 4424 weight 0.10000E+01 volume 0.15940E+01 ppm1 2.223 ppm2 4.385
ASSI { 5534}
(segid " " and resid "102 " and name "HD1 ")
(segid " " and resid "102 " and name "HG1 ")
2.000 0.500 0.500 peak 5534 weight 0.10000E+01 volume 0.24990E+01 ppm1 1.245 ppm2 0.690
OR { 5534}
(segid " " and resid "102 " and name "HD2 ")
(segid " " and resid "102 " and name "HG1 ")
ASSI { 4181}
(segid " " and resid "1 " and name "HG1 ")
(segid " " and resid "108 " and name "HA ")
3.600 1.600 1.600 peak 4181 weight 0.10000E+01 volume 0.15900E+00 ppm1 2.671 ppm2 4.246
OR { 4181}
(segid " " and resid "1 " and name "HG2 ")
(segid " " and resid "108 " and name "HA ")
ASSI { 1335}
(segid " " and resid "6 " and name "HB2 ")
(segid " " and resid "6 " and name "HE2 ")
2.500 0.800 0.800 peak 1335 weight 0.10000E+01 volume 0.51300E+00 ppm1 1.234 ppm2 2.810
OR { 1335}
(segid " " and resid "6 " and name "HB2 ")
(segid " " and resid "6 " and name "HE1 ")
ASSI { 1331}
(segid " " and resid "6 " and name "HB2 ")
(segid " " and resid "105 " and name "HD1 ")
3.900 1.900 1.900 peak 1331 weight 0.10000E+01 volume 0.12300E+00 ppm1 1.237 ppm2 7.066
OR { 1331}
(segid " " and resid "6 " and name "HB2 ")
(segid " " and resid "105 " and name "HD2 ")
ASSI { 4849}
(segid " " and resid "46 " and name "HB ")
(segid " " and resid "46 " and name "HG21")
2.200 0.600 0.600 peak 4849 weight 0.10000E+01 volume 0.36450E+01 ppm1 1.888 ppm2 0.992
OR { 4849}
(segid " " and resid "46 " and name "HB ")
(segid " " and resid "46 " and name "HG22")
OR { 4849}
(segid " " and resid "46 " and name "HB ")
(segid " " and resid "46 " and name "HG23")
ASSI { 4203}
(segid " " and resid "34 " and name "HB1 ")
(segid " " and resid "34 " and name "HG2 ")
2.200 0.600 0.600 peak 4203 weight 0.10000E+01 volume 0.12870E+01 ppm1 2.128 ppm2 1.340
ASSI { 1154}
(segid " " and resid "4 " and name "HB1 ")
(segid " " and resid "4 " and name "HG2 ")
3.800 1.800 1.800 peak 1154 weight 0.10000E+01 volume 0.46000E-01 ppm1 1.938 ppm2 2.555
ASSI { 4118}
(segid " " and resid "61 " and name "HB1 ")
(segid " " and resid "80 " and name "HE1 ")
3.600 1.600 1.600 peak 4118 weight 0.10000E+01 volume 0.20300E+00 ppm1 3.257 ppm2 6.958
OR { 4118}
(segid " " and resid "61 " and name "HB1 ")
(segid " " and resid "80 " and name "HD1 ")
ASSI { 7631}
(segid " " and resid "52 " and name "HB2 ")
(segid " " and resid "52 " and name "HD1 ")
2.900 1.100 1.100 peak 7631 weight 0.10000E+01 volume 0.25300E+00 ppm1 1.419 ppm2 1.167
ASSI { 5501}
(segid " " and resid "95 " and name "HB2 ")
(segid " " and resid "95 " and name "HA ")
2.400 0.700 0.700 peak 5501 weight 0.10000E+01 volume 0.16450E+01 ppm1 1.707 ppm2 4.536
ASSI { 4326}
(segid " " and resid "24 " and name "HB1 ")
(segid " " and resid "24 " and name "HG1 ")
2.100 0.600 0.600 peak 4326 weight 0.10000E+01 volume 0.14330E+01 ppm1 1.800 ppm2 2.196
ASSI { 4320}
(segid " " and resid "85 " and name "HB ")
(segid " " and resid "85 " and name "HA ")
2.400 0.700 0.700 peak 4320 weight 0.10000E+01 volume 0.16820E+01 ppm1 1.819 ppm2 5.339
ASSI { 6943}
(segid " " and resid "45 " and name "HG1 ")
(segid " " and resid "45 " and name "HB1 ")
1.900 0.500 0.500 peak 6943 weight 0.10000E+01 volume 0.25280E+01 ppm1 2.395 ppm2 2.129
OR { 6943}
(segid " " and resid "45 " and name "HG2 ")
(segid " " and resid "45 " and name "HB1 ")
ASSI { 4334}
(segid " " and resid "11 " and name "HB1 ")
(segid " " and resid "53 " and name "HA ")
3.300 1.400 1.400 peak 4334 weight 0.10000E+01 volume 0.25600E+00 ppm1 1.534 ppm2 4.371
OR { 4334}
(segid " " and resid "11 " and name "HB2 ")
(segid " " and resid "53 " and name "HA ")
ASSI { 5263}
(segid " " and resid "80 " and name "HB2 ")
(segid " " and resid "80 " and name "HB1 ")
2.100 0.600 0.600 peak 5263 weight 0.10000E+01 volume 0.14690E+01 ppm1 2.519 ppm2 3.467
ASSI { 5261}
(segid " " and resid "80 " and name "HB2 ")
(segid " " and resid "80 " and name "HD1 ")
2.800 1.000 1.000 peak 5261 weight 0.10000E+01 volume 0.99400E+00 ppm1 2.521 ppm2 6.935
ASSI { 5346}
(segid " " and resid "84 " and name "HB ")
(segid " " and resid "84 " and name "HG21")
2.300 0.700 0.700 peak 5346 weight 0.10000E+01 volume 0.29640E+01 ppm1 2.137 ppm2 0.795
OR { 5346}
(segid " " and resid "84 " and name "HB ")
(segid " " and resid "84 " and name "HG23")
OR { 5346}
(segid " " and resid "84 " and name "HB ")
(segid " " and resid "84 " and name "HG22")
ASSI { 4962}
(segid " " and resid "53 " and name "HB1 ")
(segid " " and resid "53 " and name "HD22")
2.700 0.900 0.900 peak 4962 weight 0.10000E+01 volume 0.10970E+01 ppm1 2.791 ppm2 0.790
OR { 4962}
(segid " " and resid "53 " and name "HB1 ")
(segid " " and resid "53 " and name "HD23")
OR { 4962}
(segid " " and resid "53 " and name "HB1 ")
(segid " " and resid "53 " and name "HD21")
ASSI { 4971}
(segid " " and resid "53 " and name "HB2 ")
(segid " " and resid "53 " and name "HD11")
2.900 1.100 1.100 peak 4971 weight 0.10000E+01 volume 0.72600E+00 ppm1 1.084 ppm2 0.895
OR { 4971}
(segid " " and resid "53 " and name "HB2 ")
(segid " " and resid "53 " and name "HD12")
OR { 4971}
(segid " " and resid "53 " and name "HB2 ")
(segid " " and resid "53 " and name "HD13")
ASSI { 6992}
(segid " " and resid "48 " and name "HB1 ")
(segid " " and resid "21 " and name "HB1 ")
2.900 1.100 1.100 peak 6992 weight 0.10000E+01 volume 0.22400E+00 ppm1 2.479 ppm2 1.458
ASSI { 4958}
(segid " " and resid "53 " and name "HB1 ")
(segid " " and resid "53 " and name "HA ")
2.800 1.000 1.000 peak 4958 weight 0.10000E+01 volume 0.66900E+00 ppm1 2.790 ppm2 4.357
ASSI { 5104}
(segid " " and resid "48 " and name "HB2 ")
(segid " " and resid "48 " and name "HA ")
2.700 0.900 0.900 peak 5104 weight 0.10000E+01 volume 0.78300E+00 ppm1 3.184 ppm2 4.904
ASSI { 3755}
(segid " " and resid "79 " and name "HB2 ")
(segid " " and resid "79 " and name "HD1 ")
2.700 0.900 0.900 peak 3755 weight 0.10000E+01 volume 0.10260E+01 ppm1 1.997 ppm2 6.940
ASSI { 7503}
(segid " " and resid "104 " and name "HB2 ")
(segid " " and resid "100 " and name "HG21")
3.600 1.600 1.600 peak 7503 weight 0.10000E+01 volume 0.18900E+00 ppm1 2.448 ppm2 0.943
OR { 7503}
(segid " " and resid "104 " and name "HB2 ")
(segid " " and resid "100 " and name "HG23")
OR { 7503}
(segid " " and resid "104 " and name "HB2 ")
(segid " " and resid "100 " and name "HG22")
ASSI { 5067}
(segid " " and resid "60 " and name "HB1 ")
(segid " " and resid "60 " and name "HA ")
3.000 1.100 1.100 peak 5067 weight 0.10000E+01 volume 0.41400E+00 ppm1 3.015 ppm2 5.163
OR { 5067}
(segid " " and resid "60 " and name "HB2 ")
(segid " " and resid "60 " and name "HA ")
ASSI { 5552}
(segid " " and resid "97 " and name "HB2 ")
(segid " " and resid "12 " and name "HA ")
3.400 1.400 1.400 peak 5552 weight 0.10000E+01 volume 0.19400E+00 ppm1 2.366 ppm2 5.267
ASSI { 5554}
(segid " " and resid "97 " and name "HB2 ")
(segid " " and resid "12 " and name "HD21")
2.800 1.000 1.000 peak 5554 weight 0.10000E+01 volume 0.93300E+00 ppm1 2.362 ppm2 0.727
OR { 5554}
(segid " " and resid "97 " and name "HB2 ")
(segid " " and resid "12 " and name "HD23")
OR { 5554}
(segid " " and resid "97 " and name "HB2 ")
(segid " " and resid "12 " and name "HD22")
ASSI { 4661}
(segid " " and resid "11 " and name "HE1 ")
(segid " " and resid "98 " and name "HG12")
2.800 1.000 1.000 peak 4661 weight 0.10000E+01 volume 0.81400E+00 ppm1 2.665 ppm2 1.070
OR { 4661}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "98 " and name "HG12")
OR { 4661}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "98 " and name "HG11")
OR { 4661}
(segid " " and resid "11 " and name "HE1 ")
(segid " " and resid "98 " and name "HG11")
ASSI { 5638}
(segid " " and resid "107 " and name "HB1 ")
(segid " " and resid "107 " and name "HA ")
2.600 0.800 0.800 peak 5638 weight 0.10000E+01 volume 0.10570E+01 ppm1 3.471 ppm2 4.798
ASSI { 4769}
(segid " " and resid "41 " and name "HB ")
(segid " " and resid "31 " and name "HB2 ")
2.600 0.800 0.800 peak 4769 weight 0.10000E+01 volume 0.45000E+00 ppm1 1.492 ppm2 2.911
ASSI { 4768}
(segid " " and resid "41 " and name "HB ")
(segid " " and resid "41 " and name "HA ")
2.700 0.900 0.900 peak 4768 weight 0.10000E+01 volume 0.84600E+00 ppm1 1.490 ppm2 4.401
ASSI { 4770}
(segid " " and resid "41 " and name "HB ")
(segid " " and resid "31 " and name "HB1 ")
2.300 0.700 0.700 peak 4770 weight 0.10000E+01 volume 0.91700E+00 ppm1 1.486 ppm2 2.643
ASSI { 5234}
(segid " " and resid "77 " and name "HB2 ")
(segid " " and resid "77 " and name "HD21")
2.600 0.800 0.800 peak 5234 weight 0.10000E+01 volume 0.13420E+01 ppm1 1.274 ppm2 0.318
OR { 5234}
(segid " " and resid "77 " and name "HB2 ")
(segid " " and resid "77 " and name "HD23")
OR { 5234}
(segid " " and resid "77 " and name "HB1 ")
(segid " " and resid "77 " and name "HD22")
OR { 5234}
(segid " " and resid "77 " and name "HB1 ")
(segid " " and resid "77 " and name "HD21")
OR { 5234}
(segid " " and resid "77 " and name "HB1 ")
(segid " " and resid "77 " and name "HD23")
ASSI { 4347}
(segid " " and resid "12 " and name "HB1 ")
(segid " " and resid "12 " and name "HD22")
2.400 0.700 0.700 peak 4347 weight 0.10000E+01 volume 0.22810E+01 ppm1 1.358 ppm2 0.761
OR { 4347}
(segid " " and resid "12 " and name "HB1 ")
(segid " " and resid "12 " and name "HD21")
OR { 4347}
(segid " " and resid "12 " and name "HB1 ")
(segid " " and resid "12 " and name "HD12")
OR { 4347}
(segid " " and resid "12 " and name "HB1 ")
(segid " " and resid "12 " and name "HD13")
OR { 4347}
(segid " " and resid "12 " and name "HB1 ")
(segid " " and resid "12 " and name "HD11")
ASSI { 5173}
(segid " " and resid "62 " and name "HA2 ")
(segid " " and resid "79 " and name "HE2 ")
4.000 2.000 2.000 peak 5173 weight 0.10000E+01 volume 0.24100E+00 ppm1 3.069 ppm2 6.666
ASSI { 4188}
(segid " " and resid "2 " and name "HA1 ")
(segid " " and resid "106 " and name "HE2 ")
4.200 2.200 1.800 peak 4188 weight 0.10000E+01 volume 0.18100E+00 ppm1 4.379 ppm2 6.696
OR { 4188}
(segid " " and resid "2 " and name "HA1 ")
(segid " " and resid "106 " and name "HD2 ")
ASSI { 4732}
(segid " " and resid "39 " and name "HB1 ")
(segid " " and resid "80 " and name "HD2 ")
3.300 1.400 1.400 peak 4732 weight 0.10000E+01 volume 0.35100E+00 ppm1 1.653 ppm2 6.943
ASSI { 5490}
(segid " " and resid "94 " and name "HA1 ")
(segid " " and resid "14 " and name "HA ")
3.000 1.100 1.100 peak 5490 weight 0.10000E+01 volume 0.10990E+01 ppm1 3.793 ppm2 4.517
ASSI { 5499}
(segid " " and resid "94 " and name "HA2 ")
(segid " " and resid "22 " and name "HG22")
3.300 1.400 1.400 peak 5499 weight 0.10000E+01 volume 0.75200E+00 ppm1 3.048 ppm2 0.780
OR { 5499}
(segid " " and resid "94 " and name "HA2 ")
(segid " " and resid "22 " and name "HG21")
OR { 5499}
(segid " " and resid "94 " and name "HA2 ")
(segid " " and resid "22 " and name "HG23")
ASSI { 4211}
(segid " " and resid "3 " and name "HD1 ")
(segid " " and resid "2 " and name "HA1 ")
2.400 0.700 0.700 peak 4211 weight 0.10000E+01 volume 0.15510E+01 ppm1 3.581 ppm2 4.374
ASSI { 7406}
(segid " " and resid "93 " and name "HD2 ")
(segid " " and resid "93 " and name "HB1 ")
2.700 0.900 0.900 peak 7406 weight 0.10000E+01 volume 0.38000E+00 ppm1 3.580 ppm2 2.236
ASSI { 4251}
(segid " " and resid "5 " and name "HD1 ")
(segid " " and resid "4 " and name "HE2 ")
2.900 1.100 1.100 peak 4251 weight 0.10000E+01 volume 0.56300E+00 ppm1 3.863 ppm2 2.119
OR { 4251}
(segid " " and resid "5 " and name "HD1 ")
(segid " " and resid "4 " and name "HE1 ")
OR { 4251}
(segid " " and resid "5 " and name "HD1 ")
(segid " " and resid "4 " and name "HE3 ")
ASSI { 4221}
(segid " " and resid "4 " and name "HA ")
(segid " " and resid "4 " and name "HB2 ")
2.800 1.000 1.000 peak 4221 weight 0.10000E+01 volume 0.68500E+00 ppm1 5.052 ppm2 1.765
ASSI { 6768}
(segid " " and resid "34 " and name "HD2 ")
(segid " " and resid "34 " and name "HB1 ")
3.000 1.100 1.100 peak 6768 weight 0.10000E+01 volume 0.17500E+00 ppm1 3.226 ppm2 2.119
ASSI { 4607}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "27 " and name "HB2 ")
2.600 0.800 0.800 peak 4607 weight 0.10000E+01 volume 0.31910E+01 ppm1 4.558 ppm2 1.397
OR { 4607}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "27 " and name "HB1 ")
OR { 4607}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "27 " and name "HB3 ")
ASSI { 4344}
(segid " " and resid "12 " and name "HA ")
(segid " " and resid "12 " and name "HB1 ")
2.300 0.700 0.700 peak 4344 weight 0.10000E+01 volume 0.20920E+01 ppm1 5.265 ppm2 1.343
OR { 4344}
(segid " " and resid "12 " and name "HA ")
(segid " " and resid "12 " and name "HG ")
ASSI { 4363}
(segid " " and resid "13 " and name "HA ")
(segid " " and resid "13 " and name "HB2 ")
2.700 0.900 0.900 peak 4363 weight 0.10000E+01 volume 0.77500E+00 ppm1 5.087 ppm2 3.369
ASSI { 4362}
(segid " " and resid "13 " and name "HA ")
(segid " " and resid "13 " and name "HB1 ")
2.800 1.000 1.000 peak 4362 weight 0.10000E+01 volume 0.67300E+00 ppm1 5.088 ppm2 4.101
ASSI { 4381}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "22 " and name "HG12")
3.200 1.300 1.300 peak 4381 weight 0.10000E+01 volume 0.48400E+00 ppm1 4.519 ppm2 0.550
OR { 4381}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "22 " and name "HD13")
OR { 4381}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "22 " and name "HD12")
ASSI { 4652}
(segid " " and resid "30 " and name "HA ")
(segid " " and resid "30 " and name "HB2 ")
2.400 0.700 0.700 peak 4652 weight 0.10000E+01 volume 0.17830E+01 ppm1 4.840 ppm2 2.669
OR { 4652}
(segid " " and resid "30 " and name "HA ")
(segid " " and resid "30 " and name "HB1 ")
ASSI { 4263}
(segid " " and resid "7 " and name "HA ")
(segid " " and resid "7 " and name "HB2 ")
2.400 0.700 0.700 peak 4263 weight 0.10000E+01 volume 0.17630E+01 ppm1 3.862 ppm2 0.881
OR { 4263}
(segid " " and resid "7 " and name "HA ")
(segid " " and resid "7 " and name "HG ")
ASSI { 4302}
(segid " " and resid "10 " and name "HA ")
(segid " " and resid "99 " and name "HA ")
2.600 0.800 0.800 peak 4302 weight 0.10000E+01 volume 0.22560E+01 ppm1 5.208 ppm2 4.604
ASSI { 4541}
(segid " " and resid "23 " and name "HA ")
(segid " " and resid "90 " and name "HG21")
3.800 1.800 1.800 peak 4541 weight 0.10000E+01 volume 0.28700E+00 ppm1 4.933 ppm2 1.018
OR { 4541}
(segid " " and resid "23 " and name "HA ")
(segid " " and resid "90 " and name "HG23")
OR { 4541}
(segid " " and resid "23 " and name "HA ")
(segid " " and resid "90 " and name "HG22")
ASSI { 5190}
(segid " " and resid "64 " and name "HA ")
(segid " " and resid "77 " and name "HD21")
4.300 2.300 1.700 peak 5190 weight 0.10000E+01 volume 0.17200E+00 ppm1 5.233 ppm2 0.307
OR { 5190}
(segid " " and resid "64 " and name "HA ")
(segid " " and resid "77 " and name "HD22")
OR { 5190}
(segid " " and resid "64 " and name "HA ")
(segid " " and resid "77 " and name "HD23")
ASSI { 3760}
(segid " " and resid "38 " and name "HA ")
(segid " " and resid "38 " and name "HB2 ")
2.800 1.000 1.000 peak 3760 weight 0.10000E+01 volume 0.68300E+00 ppm1 5.393 ppm2 3.134
ASSI { 5620}
(segid " " and resid "106 " and name "HA ")
(segid " " and resid "3 " and name "HB1 ")
3.300 1.400 1.400 peak 5620 weight 0.10000E+01 volume 0.25000E+00 ppm1 4.502 ppm2 2.104
ASSI { 4876}
(segid " " and resid "48 " and name "HA ")
(segid " " and resid "48 " and name "HB1 ")
2.500 0.800 0.800 peak 4876 weight 0.10000E+01 volume 0.12180E+01 ppm1 4.897 ppm2 2.481
ASSI { 5621}
(segid " " and resid "99 " and name "HA ")
(segid " " and resid "99 " and name "HB2 ")
3.200 1.300 1.300 peak 5621 weight 0.10000E+01 volume 0.32100E+00 ppm1 4.502 ppm2 1.874
OR { 5621}
(segid " " and resid "99 " and name "HA ")
(segid " " and resid "99 " and name "HB1 ")
ASSI { 5110}
(segid " " and resid "69 " and name "HA ")
(segid " " and resid "69 " and name "HB1 ")
2.100 0.600 0.600 peak 5110 weight 0.10000E+01 volume 0.34380E+01 ppm1 4.486 ppm2 2.846
OR { 5110}
(segid " " and resid "69 " and name "HA ")
(segid " " and resid "69 " and name "HB2 ")
ASSI { 5428}
(segid " " and resid "87 " and name "HA ")
(segid " " and resid "25 " and name "HA ")
2.500 0.800 0.800 peak 5428 weight 0.10000E+01 volume 0.29430E+01 ppm1 4.227 ppm2 5.293
ASSI { 6789}
(segid " " and resid "37 " and name "HA ")
(segid " " and resid "37 " and name "HB2 ")
2.700 0.900 0.900 peak 6789 weight 0.10000E+01 volume 0.91300E+00 ppm1 4.303 ppm2 1.480
ASSI { 5328}
(segid " " and resid "82 " and name "HA ")
(segid " " and resid "82 " and name "HB2 ")
2.400 0.700 0.700 peak 5328 weight 0.10000E+01 volume 0.16460E+01 ppm1 2.879 ppm2 1.772
ASSI { 5342}
(segid " " and resid "84 " and name "HA ")
(segid " " and resid "85 " and name "HG11")
3.700 1.700 1.700 peak 5342 weight 0.10000E+01 volume 0.39700E+00 ppm1 4.336 ppm2 0.505
OR { 5342}
(segid " " and resid "84 " and name "HA ")
(segid " " and resid "85 " and name "HG12")
OR { 5342}
(segid " " and resid "84 " and name "HA ")
(segid " " and resid "85 " and name "HG13")
ASSI { 5340}
(segid " " and resid "84 " and name "HA ")
(segid " " and resid "84 " and name "HG23")
2.600 0.800 0.800 peak 5340 weight 0.10000E+01 volume 0.33260E+01 ppm1 4.337 ppm2 0.794
OR { 5340}
(segid " " and resid "84 " and name "HA ")
(segid " " and resid "84 " and name "HG22")
ASSI { 5136}
(segid " " and resid "81 " and name "HA ")
(segid " " and resid "81 " and name "HB2 ")
2.600 0.800 0.800 peak 5136 weight 0.10000E+01 volume 0.10250E+01 ppm1 4.631 ppm2 1.859
OR { 5136}
(segid " " and resid "81 " and name "HA ")
(segid " " and resid "81 " and name "HG1 ")
ASSI { 5511}
(segid " " and resid "96 " and name "HA ")
(segid " " and resid "96 " and name "HG12")
2.400 0.700 0.700 peak 5511 weight 0.10000E+01 volume 0.59430E+01 ppm1 4.020 ppm2 0.707
OR { 5511}
(segid " " and resid "96 " and name "HA ")
(segid " " and resid "96 " and name "HG21")
OR { 5511}
(segid " " and resid "96 " and name "HA ")
(segid " " and resid "96 " and name "HG11")
OR { 5511}
(segid " " and resid "96 " and name "HA ")
(segid " " and resid "96 " and name "HG23")
ASSI { 5472}
(segid " " and resid "93 " and name "HA ")
(segid " " and resid "93 " and name "HB2 ")
2.300 0.700 0.700 peak 5472 weight 0.10000E+01 volume 0.20230E+01 ppm1 4.163 ppm2 1.722
ASSI { 5474}
(segid " " and resid "93 " and name "HA ")
(segid " " and resid "22 " and name "HG22")
3.300 1.400 1.400 peak 5474 weight 0.10000E+01 volume 0.75700E+00 ppm1 4.164 ppm2 0.777
OR { 5474}
(segid " " and resid "93 " and name "HA ")
(segid " " and resid "22 " and name "HG23")
OR { 5474}
(segid " " and resid "93 " and name "HA ")
(segid " " and resid "22 " and name "HG21")
ASSI { 4192}
(segid " " and resid "3 " and name "HA ")
(segid " " and resid "106 " and name "HA ")
2.800 1.000 1.000 peak 4192 weight 0.10000E+01 volume 0.15810E+01 ppm1 4.098 ppm2 4.510
ASSI { 4881}
(segid " " and resid "49 " and name "HA ")
(segid " " and resid "63 " and name "HA2 ")
3.300 1.400 1.400 peak 4881 weight 0.10000E+01 volume 0.62600E+00 ppm1 4.377 ppm2 4.726
ASSI { 5191}
(segid " " and resid "64 " and name "HB2 ")
(segid " " and resid "50 " and name "HE1 ")
2.900 1.100 1.100 peak 5191 weight 0.10000E+01 volume 0.69100E+00 ppm1 3.829 ppm2 7.129
OR { 5191}
(segid " " and resid "64 " and name "HB1 ")
(segid " " and resid "50 " and name "HE1 ")
ASSI { 4941}
(segid " " and resid "51 " and name "HB2 ")
(segid " " and resid "11 " and name "HD2 ")
2.600 0.800 0.800 peak 4941 weight 0.10000E+01 volume 0.39900E+00 ppm1 3.617 ppm2 1.196
OR { 4941}
(segid " " and resid "51 " and name "HB2 ")
(segid " " and resid "11 " and name "HD1 ")
ASSI { 4935}
(segid " " and resid "51 " and name "HB1 ")
(segid " " and resid "11 " and name "HD2 ")
2.700 0.900 0.900 peak 4935 weight 0.10000E+01 volume 0.33100E+00 ppm1 3.955 ppm2 1.217
OR { 4935}
(segid " " and resid "51 " and name "HB1 ")
(segid " " and resid "11 " and name "HD1 ")
ASSI { 4934}
(segid " " and resid "51 " and name "HB1 ")
(segid " " and resid "11 " and name "HD2 ")
2.500 0.800 0.800 peak 4934 weight 0.10000E+01 volume 0.59200E+00 ppm1 3.961 ppm2 1.514
OR { 4934}
(segid " " and resid "51 " and name "HB1 ")
(segid " " and resid "11 " and name "HB2 ")
ASSI { 5170}
(segid " " and resid "100 " and name "HB ")
(segid " " and resid "104 " and name "HB2 ")
2.800 1.000 1.000 peak 5170 weight 0.10000E+01 volume 0.37000E+00 ppm1 4.615 ppm2 2.468
ASSI { 4353}
(segid " " and resid "73 " and name "HD13")
(segid " " and resid "73 " and name "HA ")
3.400 1.400 1.400 peak 4353 weight 0.10000E+01 volume 0.67000E+00 ppm1 0.794 ppm2 4.240
OR { 4353}
(segid " " and resid "73 " and name "HD11")
(segid " " and resid "73 " and name "HA ")
OR { 4353}
(segid " " and resid "73 " and name "HD12")
(segid " " and resid "73 " and name "HA ")
ASSI { 3724}
(segid " " and resid "31 " and name "HE2 ")
(segid " " and resid "31 " and name "HD2 ")
2.600 0.800 0.800 peak 3724 weight 0.10000E+01 volume 0.41620E+01 ppm1 6.932 ppm2 7.397
OR { 3724}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "31 " and name "HD1 ")
ASSI { 5609}
(segid " " and resid "103 " and name "HD1 ")
(segid " " and resid "103 " and name "HB1 ")
2.800 1.000 1.000 peak 5609 weight 0.10000E+01 volume 0.90200E+00 ppm1 7.109 ppm2 3.080
ASSI { 4800}
(segid " " and resid "41 " and name "HD12")
(segid " " and resid "41 " and name "HG12")
2.200 0.600 0.600 peak 4800 weight 0.10000E+01 volume 0.42680E+01 ppm1 0.293 ppm2 0.778
OR { 4800}
(segid " " and resid "41 " and name "HD11")
(segid " " and resid "41 " and name "HG12")
OR { 4800}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "41 " and name "HG12")
ASSI { 4796}
(segid " " and resid "41 " and name "HD11")
(segid " " and resid "80 " and name "HB2 ")
3.100 1.200 1.200 peak 4796 weight 0.10000E+01 volume 0.45000E+00 ppm1 0.291 ppm2 2.510
OR { 4796}
(segid " " and resid "41 " and name "HD12")
(segid " " and resid "80 " and name "HB2 ")
OR { 4796}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "80 " and name "HB2 ")
ASSI { 3769}
(segid " " and resid "38 " and name "HE1 ")
(segid " " and resid "38 " and name "HD1 ")
3.000 1.100 1.100 peak 3769 weight 0.10000E+01 volume 0.18410E+01 ppm1 6.839 ppm2 7.357
OR { 3769}
(segid " " and resid "38 " and name "HE2 ")
(segid " " and resid "38 " and name "HD2 ")
ASSI { 6253}
(segid " " and resid "105 " and name "HD2 ")
(segid " " and resid "105 " and name "HB2 ")
3.200 1.300 1.300 peak 6253 weight 0.10000E+01 volume 0.38500E+00 ppm1 7.072 ppm2 2.717
OR { 6253}
(segid " " and resid "105 " and name "HD1 ")
(segid " " and resid "105 " and name "HB2 ")
ASSI { 4527}
(segid " " and resid "22 " and name "HD12")
(segid " " and resid "13 " and name "HA ")
3.000 1.100 1.100 peak 4527 weight 0.10000E+01 volume 0.14490E+01 ppm1 0.519 ppm2 5.090
OR { 4527}
(segid " " and resid "22 " and name "HD13")
(segid " " and resid "13 " and name "HA ")
OR { 4527}
(segid " " and resid "22 " and name "HD11")
(segid " " and resid "13 " and name "HA ")
ASSI { 6696}
(segid " " and resid "32 " and name "HE3 ")
(segid " " and resid "32 " and name "HA ")
4.200 2.200 1.800 peak 6696 weight 0.10000E+01 volume 0.19200E+00 ppm1 1.968 ppm2 4.512
OR { 6696}
(segid " " and resid "32 " and name "HE2 ")
(segid " " and resid "32 " and name "HA ")
OR { 6696}
(segid " " and resid "32 " and name "HE1 ")
(segid " " and resid "32 " and name "HA ")
ASSI { 5413}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "85 " and name "HB ")
2.400 0.700 0.700 peak 5413 weight 0.10000E+01 volume 0.23500E+01 ppm1 0.849 ppm2 1.815
OR { 5413}
(segid " " and resid "85 " and name "HG23")
(segid " " and resid "85 " and name "HB ")
OR { 5413}
(segid " " and resid "85 " and name "HG22")
(segid " " and resid "85 " and name "HB ")
ASSI { 5405}
(segid " " and resid "85 " and name "HG23")
(segid " " and resid "80 " and name "HE1 ")
3.000 1.100 1.100 peak 5405 weight 0.10000E+01 volume 0.19260E+01 ppm1 0.850 ppm2 6.963
OR { 5405}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "80 " and name "HE1 ")
OR { 5405}
(segid " " and resid "85 " and name "HG22")
(segid " " and resid "80 " and name "HE1 ")
ASSI { 4604}
(segid " " and resid "26 " and name "HG23")
(segid " " and resid "26 " and name "HB ")
2.200 0.600 0.600 peak 4604 weight 0.10000E+01 volume 0.34720E+01 ppm1 0.840 ppm2 1.795
OR { 4604}
(segid " " and resid "26 " and name "HG22")
(segid " " and resid "26 " and name "HB ")
OR { 4604}
(segid " " and resid "26 " and name "HG21")
(segid " " and resid "26 " and name "HB ")
ASSI { 4696}
(segid " " and resid "33 " and name "HB2 ")
(segid " " and resid "33 " and name "HA ")
2.700 0.900 0.900 peak 4696 weight 0.10000E+01 volume 0.27320E+01 ppm1 1.322 ppm2 4.037
OR { 4696}
(segid " " and resid "33 " and name "HB3 ")
(segid " " and resid "33 " and name "HA ")
OR { 4696}
(segid " " and resid "33 " and name "HB1 ")
(segid " " and resid "33 " and name "HA ")
ASSI { 5568}
(segid " " and resid "98 " and name "HG22")
(segid " " and resid "16 " and name "HA ")
2.800 1.000 1.000 peak 5568 weight 0.10000E+01 volume 0.18930E+01 ppm1 0.905 ppm2 3.916
OR { 5568}
(segid " " and resid "98 " and name "HG23")
(segid " " and resid "16 " and name "HA ")
OR { 5568}
(segid " " and resid "98 " and name "HG21")
(segid " " and resid "16 " and name "HA ")
ASSI { 6834}
(segid " " and resid "40 " and name "HG23")
(segid " " and resid "42 " and name "HD2 ")
4.600 2.600 1.400 peak 6834 weight 0.10000E+01 volume 0.14300E+00 ppm1 1.231 ppm2 7.218
OR { 6834}
(segid " " and resid "40 " and name "HG21")
(segid " " and resid "42 " and name "HD2 ")
OR { 6834}
(segid " " and resid "40 " and name "HG22")
(segid " " and resid "42 " and name "HD2 ")
ASSI { 4277}
(segid " " and resid "7 " and name "HD13")
(segid " " and resid "7 " and name "HA ")
2.600 0.800 0.800 peak 4277 weight 0.10000E+01 volume 0.33500E+01 ppm1 0.530 ppm2 3.863
OR { 4277}
(segid " " and resid "7 " and name "HD11")
(segid " " and resid "7 " and name "HA ")
OR { 4277}
(segid " " and resid "7 " and name "HD12")
(segid " " and resid "7 " and name "HA ")
ASSI { 4747}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "64 " and name "HA ")
3.400 1.400 1.400 peak 4747 weight 0.10000E+01 volume 0.60900E+00 ppm1 0.895 ppm2 5.236
OR { 4747}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "64 " and name "HA ")
ASSI { 7604}
(segid " " and resid "52 " and name "HG2 ")
(segid " " and resid "52 " and name "HD1 ")
2.800 1.000 1.000 peak 7604 weight 0.10000E+01 volume 0.29300E+00 ppm1 -0.790 ppm2 1.143
ASSI { 7610}
(segid " " and resid "52 " and name "HG1 ")
(segid " " and resid "52 " and name "HB1 ")
2.600 0.800 0.800 peak 7610 weight 0.10000E+01 volume 0.45600E+00 ppm1 0.390 ppm2 1.652
OR { 7610}
(segid " " and resid "52 " and name "HG1 ")
(segid " " and resid "52 " and name "HE1 ")
ASSI { 1336}
(segid " " and resid "6 " and name "HG1 ")
(segid " " and resid "105 " and name "HD1 ")
3.500 1.500 1.500 peak 1336 weight 0.10000E+01 volume 0.22200E+00 ppm1 1.599 ppm2 7.077
OR { 1336}
(segid " " and resid "6 " and name "HG1 ")
(segid " " and resid "105 " and name "HD2 ")
ASSI { 5003}
(segid " " and resid "54 " and name "HG2 ")
(segid " " and resid "54 " and name "HB1 ")
2.100 0.600 0.600 peak 5003 weight 0.10000E+01 volume 0.14140E+01 ppm1 1.362 ppm2 1.925
OR { 5003}
(segid " " and resid "54 " and name "HG1 ")
(segid " " and resid "54 " and name "HB1 ")
ASSI { 5582}
(segid " " and resid "99 " and name "HG2 ")
(segid " " and resid "10 " and name "HA ")
3.600 1.600 1.600 peak 5582 weight 0.10000E+01 volume 0.14100E+00 ppm1 1.608 ppm2 5.206
OR { 5582}
(segid " " and resid "99 " and name "HG1 ")
(segid " " and resid "10 " and name "HA ")
ASSI { 5583}
(segid " " and resid "99 " and name "HG2 ")
(segid " " and resid "99 " and name "HA ")
2.600 0.800 0.800 peak 5583 weight 0.10000E+01 volume 0.11140E+01 ppm1 1.612 ppm2 4.607
OR { 5583}
(segid " " and resid "99 " and name "HG1 ")
(segid " " and resid "99 " and name "HA ")
ASSI { 5041}
(segid " " and resid "58 " and name "HG2 ")
(segid " " and resid "58 " and name "HA ")
3.100 1.200 1.200 peak 5041 weight 0.10000E+01 volume 0.35200E+00 ppm1 1.405 ppm2 4.300
ASSI { 4298}
(segid " " and resid "58 " and name "HG1 ")
(segid " " and resid "58 " and name "HD2 ")
2.000 0.500 0.500 peak 4298 weight 0.10000E+01 volume 0.21470E+01 ppm1 1.746 ppm2 3.230
OR { 4298}
(segid " " and resid "58 " and name "HG1 ")
(segid " " and resid "58 " and name "HD1 ")
ASSI { 5044}
(segid " " and resid "58 " and name "HG2 ")
(segid " " and resid "59 " and name "HD21")
3.500 1.500 1.500 peak 5044 weight 0.10000E+01 volume 0.21600E+00 ppm1 1.403 ppm2 0.659
OR { 5044}
(segid " " and resid "58 " and name "HG2 ")
(segid " " and resid "59 " and name "HD13")
OR { 5044}
(segid " " and resid "58 " and name "HG2 ")
(segid " " and resid "59 " and name "HD23")
OR { 5044}
(segid " " and resid "58 " and name "HG2 ")
(segid " " and resid "59 " and name "HD11")
ASSI { 4299}
(segid " " and resid "58 " and name "HG1 ")
(segid " " and resid "58 " and name "HB1 ")
2.300 0.700 0.700 peak 4299 weight 0.10000E+01 volume 0.10060E+01 ppm1 1.751 ppm2 2.106
ASSI { 4496}
(segid " " and resid "21 " and name "HG2 ")
(segid " " and resid "21 " and name "HB2 ")
2.300 0.700 0.700 peak 4496 weight 0.10000E+01 volume 0.95000E+00 ppm1 1.401 ppm2 1.000
ASSI { 4486}
(segid " " and resid "21 " and name "HG1 ")
(segid " " and resid "21 " and name "HD2 ")
2.300 0.700 0.700 peak 4486 weight 0.10000E+01 volume 0.89800E+00 ppm1 1.733 ppm2 3.382
ASSI { 5054}
(segid " " and resid "77 " and name "HG ")
(segid " " and resid "77 " and name "HD21")
2.500 0.800 0.800 peak 5054 weight 0.10000E+01 volume 0.17770E+01 ppm1 1.296 ppm2 0.315
OR { 5054}
(segid " " and resid "77 " and name "HG ")
(segid " " and resid "77 " and name "HD23")
OR { 5054}
(segid " " and resid "77 " and name "HG ")
(segid " " and resid "77 " and name "HD22")
ASSI { 4778}
(segid " " and resid "41 " and name "HG12")
(segid " " and resid "41 " and name "HA ")
2.600 0.800 0.800 peak 4778 weight 0.10000E+01 volume 0.96600E+00 ppm1 0.776 ppm2 4.401
ASSI { 4247}
(segid " " and resid "5 " and name "HG2 ")
(segid " " and resid "5 " and name "HD1 ")
2.400 0.700 0.700 peak 4247 weight 0.10000E+01 volume 0.66900E+00 ppm1 1.868 ppm2 3.871
ASSI { 4243}
(segid " " and resid "5 " and name "HG1 ")
(segid " " and resid "5 " and name "HD1 ")
2.400 0.700 0.700 peak 4243 weight 0.10000E+01 volume 0.71100E+00 ppm1 1.970 ppm2 3.871
OR { 4243}
(segid " " and resid "5 " and name "HG2 ")
(segid " " and resid "5 " and name "HD1 ")
ASSI { 5602}
(segid " " and resid "103 " and name "HB2 ")
(segid " " and resid "103 " and name "HA ")
2.700 0.900 0.900 peak 5602 weight 0.10000E+01 volume 0.93200E+00 ppm1 3.264 ppm2 4.355
ASSI { 4512}
(segid " " and resid "22 " and name "HG12")
(segid " " and resid "22 " and name "HA ")
3.200 1.300 1.300 peak 4512 weight 0.10000E+01 volume 0.30900E+00 ppm1 0.598 ppm2 4.349
ASSI { 5039}
(segid " " and resid "58 " and name "HB2 ")
(segid " " and resid "58 " and name "HG2 ")
2.200 0.600 0.600 peak 5039 weight 0.10000E+01 volume 0.10410E+01 ppm1 1.939 ppm2 1.408
ASSI { 5035}
(segid " " and resid "58 " and name "HB1 ")
(segid " " and resid "58 " and name "HA ")
2.400 0.700 0.700 peak 5035 weight 0.10000E+01 volume 0.17080E+01 ppm1 2.107 ppm2 4.301
ASSI { 4806}
(segid " " and resid "42 " and name "HB1 ")
(segid " " and resid "45 " and name "HG1 ")
2.600 0.800 0.800 peak 4806 weight 0.10000E+01 volume 0.45700E+00 ppm1 3.190 ppm2 2.457
OR { 4806}
(segid " " and resid "42 " and name "HB1 ")
(segid " " and resid "45 " and name "HG2 ")
ASSI { 4809}
(segid " " and resid "42 " and name "HB2 ")
(segid " " and resid "45 " and name "HG1 ")
2.500 0.800 0.800 peak 4809 weight 0.10000E+01 volume 0.51900E+00 ppm1 2.874 ppm2 2.448
OR { 4809}
(segid " " and resid "42 " and name "HB2 ")
(segid " " and resid "45 " and name "HG2 ")
ASSI { 4475}
(segid " " and resid "21 " and name "HB2 ")
(segid " " and resid "48 " and name "HD1 ")
3.400 1.400 1.400 peak 4475 weight 0.10000E+01 volume 0.28800E+00 ppm1 0.999 ppm2 6.931
OR { 4475}
(segid " " and resid "21 " and name "HB2 ")
(segid " " and resid "48 " and name "HD2 ")
ASSI { 4482}
(segid " " and resid "21 " and name "HB2 ")
(segid " " and resid "21 " and name "HG1 ")
2.400 0.700 0.700 peak 4482 weight 0.10000E+01 volume 0.72300E+00 ppm1 0.999 ppm2 1.728
ASSI { 4481}
(segid " " and resid "21 " and name "HB2 ")
(segid " " and resid "48 " and name "HB1 ")
2.700 0.900 0.900 peak 4481 weight 0.10000E+01 volume 0.34100E+00 ppm1 0.998 ppm2 2.473
ASSI { 4479}
(segid " " and resid "21 " and name "HB2 ")
(segid " " and resid "21 " and name "HD2 ")
2.700 0.900 0.900 peak 4479 weight 0.10000E+01 volume 0.36500E+00 ppm1 1.001 ppm2 3.357
ASSI { 4480}
(segid " " and resid "21 " and name "HB2 ")
(segid " " and resid "48 " and name "HB2 ")
2.900 1.100 1.100 peak 4480 weight 0.10000E+01 volume 0.20500E+00 ppm1 1.006 ppm2 3.187
ASSI { 4888}
(segid " " and resid "49 " and name "HB ")
(segid " " and resid "49 " and name "HG13")
2.300 0.700 0.700 peak 4888 weight 0.10000E+01 volume 0.24900E+01 ppm1 2.515 ppm2 0.685
OR { 4888}
(segid " " and resid "49 " and name "HB ")
(segid " " and resid "49 " and name "HG11")
OR { 4888}
(segid " " and resid "49 " and name "HB ")
(segid " " and resid "49 " and name "HG12")
ASSI { 4199}
(segid " " and resid "3 " and name "HB1 ")
(segid " " and resid "3 " and name "HA ")
2.400 0.700 0.700 peak 4199 weight 0.10000E+01 volume 0.16650E+01 ppm1 2.100 ppm2 4.093
ASSI { 4202}
(segid " " and resid "34 " and name "HB1 ")
(segid " " and resid "34 " and name "HG1 ")
2.100 0.600 0.600 peak 4202 weight 0.10000E+01 volume 0.17600E+01 ppm1 2.127 ppm2 1.507
ASSI { 4420}
(segid " " and resid "61 " and name "HB2 ")
(segid " " and resid "61 " and name "HB1 ")
2.000 0.500 0.500 peak 4420 weight 0.10000E+01 volume 0.18360E+01 ppm1 2.486 ppm2 3.253
ASSI { 4951}
(segid " " and resid "52 " and name "HB1 ")
(segid " " and resid "52 " and name "HD2 ")
2.800 1.000 1.000 peak 4951 weight 0.10000E+01 volume 0.27300E+00 ppm1 1.653 ppm2 0.994
ASSI { 6568}
(segid " " and resid "95 " and name "HB2 ")
(segid " " and resid "95 " and name "HE2 ")
3.400 1.400 1.400 peak 6568 weight 0.10000E+01 volume 0.82000E-01 ppm1 1.711 ppm2 2.935
OR { 6568}
(segid " " and resid "95 " and name "HB2 ")
(segid " " and resid "95 " and name "HE1 ")
ASSI { 4864}
(segid " " and resid "47 " and name "HB ")
(segid " " and resid "47 " and name "HG12")
2.000 0.500 0.500 peak 4864 weight 0.10000E+01 volume 0.59520E+01 ppm1 1.543 ppm2 0.480
OR { 4864}
(segid " " and resid "47 " and name "HB ")
(segid " " and resid "47 " and name "HG23")
OR { 4864}
(segid " " and resid "47 " and name "HB ")
(segid " " and resid "47 " and name "HG21")
OR { 4864}
(segid " " and resid "47 " and name "HB ")
(segid " " and resid "47 " and name "HG11")
OR { 4864}
(segid " " and resid "47 " and name "HB ")
(segid " " and resid "47 " and name "HG22")
ASSI { 4313}
(segid " " and resid "10 " and name "HB2 ")
(segid " " and resid "10 " and name "HA ")
2.900 1.100 1.100 peak 4313 weight 0.10000E+01 volume 0.57300E+00 ppm1 1.579 ppm2 5.214
ASSI { 4552}
(segid " " and resid "98 " and name "HB ")
(segid " " and resid "98 " and name "HG12")
2.200 0.600 0.600 peak 4552 weight 0.10000E+01 volume 0.34660E+01 ppm1 1.914 ppm2 1.063
OR { 4552}
(segid " " and resid "98 " and name "HB ")
(segid " " and resid "98 " and name "HG11")
OR { 4552}
(segid " " and resid "98 " and name "HB ")
(segid " " and resid "98 " and name "HG13")
ASSI { 4332}
(segid " " and resid "11 " and name "HB1 ")
(segid " " and resid "11 " and name "HG2 ")
2.300 0.700 0.700 peak 4332 weight 0.10000E+01 volume 0.93400E+00 ppm1 1.533 ppm2 1.179
OR { 4332}
(segid " " and resid "11 " and name "HB2 ")
(segid " " and resid "11 " and name "HG2 ")
ASSI { 4335}
(segid " " and resid "11 " and name "HB2 ")
(segid " " and resid "51 " and name "HB2 ")
2.900 1.100 1.100 peak 4335 weight 0.10000E+01 volume 0.24300E+00 ppm1 1.536 ppm2 3.614
ASSI { 5255}
(segid " " and resid "80 " and name "HB1 ")
(segid " " and resid "80 " and name "HD2 ")
2.700 0.900 0.900 peak 5255 weight 0.10000E+01 volume 0.12450E+01 ppm1 3.474 ppm2 6.934
ASSI { 5349}
(segid " " and resid "87 " and name "HG2 ")
(segid " " and resid "87 " and name "HA ")
2.500 0.800 0.800 peak 5349 weight 0.10000E+01 volume 0.12250E+01 ppm1 2.163 ppm2 4.231
ASSI { 5357}
(segid " " and resid "87 " and name "HG2 ")
(segid " " and resid "61 " and name "HH2 ")
3.600 1.600 1.600 peak 5357 weight 0.10000E+01 volume 0.19200E+00 ppm1 2.172 ppm2 7.141
ASSI { 5350}
(segid " " and resid "87 " and name "HG1 ")
(segid " " and resid "23 " and name "HB2 ")
2.700 0.900 0.900 peak 5350 weight 0.10000E+01 volume 0.34000E+00 ppm1 2.495 ppm2 3.807
OR { 5350}
(segid " " and resid "87 " and name "HG1 ")
(segid " " and resid "23 " and name "HB1 ")
ASSI { 5212}
(segid " " and resid "70 " and name "HB2 ")
(segid " " and resid "70 " and name "HD1 ")
2.600 0.800 0.800 peak 5212 weight 0.10000E+01 volume 0.13980E+01 ppm1 2.830 ppm2 7.011
OR { 5212}
(segid " " and resid "70 " and name "HB2 ")
(segid " " and resid "70 " and name "HD2 ")
ASSI { 4972}
(segid " " and resid "53 " and name "HB2 ")
(segid " " and resid "53 " and name "HD22")
2.900 1.100 1.100 peak 4972 weight 0.10000E+01 volume 0.70400E+00 ppm1 1.083 ppm2 0.789
OR { 4972}
(segid " " and resid "53 " and name "HB2 ")
(segid " " and resid "53 " and name "HD21")
OR { 4972}
(segid " " and resid "53 " and name "HB2 ")
(segid " " and resid "53 " and name "HD23")
ASSI { 4100}
(segid " " and resid "48 " and name "HB1 ")
(segid " " and resid "50 " and name "HE1 ")
2.800 1.000 1.000 peak 4100 weight 0.10000E+01 volume 0.85500E+00 ppm1 2.478 ppm2 7.128
ASSI { 4097}
(segid " " and resid "48 " and name "HB2 ")
(segid " " and resid "48 " and name "HD2 ")
2.900 1.100 1.100 peak 4097 weight 0.10000E+01 volume 0.80000E+00 ppm1 3.186 ppm2 6.924
OR { 4097}
(segid " " and resid "48 " and name "HB2 ")
(segid " " and resid "48 " and name "HD1 ")
ASSI { 4504}
(segid " " and resid "22 " and name "HB ")
(segid " " and resid "49 " and name "HB ")
2.700 0.900 0.900 peak 4504 weight 0.10000E+01 volume 0.34200E+00 ppm1 1.272 ppm2 2.511
ASSI { 4505}
(segid " " and resid "22 " and name "HB ")
(segid " " and resid "22 " and name "HG11")
2.400 0.700 0.700 peak 4505 weight 0.10000E+01 volume 0.65500E+00 ppm1 1.271 ppm2 1.775
ASSI { 5537}
(segid " " and resid "102 " and name "HE2 ")
(segid " " and resid "103 " and name "HE3 ")
3.400 1.400 1.400 peak 5537 weight 0.10000E+01 volume 0.30300E+00 ppm1 2.337 ppm2 6.993
OR { 5537}
(segid " " and resid "102 " and name "HE2 ")
(segid " " and resid "103 " and name "HH2 ")
OR { 5537}
(segid " " and resid "102 " and name "HE1 ")
(segid " " and resid "103 " and name "HE3 ")
OR { 5537}
(segid " " and resid "102 " and name "HE1 ")
(segid " " and resid "103 " and name "HH2 ")
ASSI { 5617}
(segid " " and resid "104 " and name "HB2 ")
(segid " " and resid "104 " and name "HA ")
2.700 0.900 0.900 peak 5617 weight 0.10000E+01 volume 0.82000E+00 ppm1 2.451 ppm2 4.300
ASSI { 3701}
(segid " " and resid "102 " and name "HE2 ")
(segid " " and resid "103 " and name "HD1 ")
3.700 1.700 1.700 peak 3701 weight 0.10000E+01 volume 0.15700E+00 ppm1 2.338 ppm2 7.106
OR { 3701}
(segid " " and resid "102 " and name "HE2 ")
(segid " " and resid "103 " and name "HE3 ")
OR { 3701}
(segid " " and resid "102 " and name "HE1 ")
(segid " " and resid "103 " and name "HD1 ")
OR { 3701}
(segid " " and resid "102 " and name "HE1 ")
(segid " " and resid "103 " and name "HE3 ")
ASSI { 5598}
(segid " " and resid "102 " and name "HE1 ")
(segid " " and resid "102 " and name "HB2 ")
2.400 0.700 0.700 peak 5598 weight 0.10000E+01 volume 0.75500E+00 ppm1 2.332 ppm2 1.365
OR { 5598}
(segid " " and resid "102 " and name "HE2 ")
(segid " " and resid "102 " and name "HB2 ")
ASSI { 7618}
(segid " " and resid "52 " and name "HE1 ")
(segid " " and resid "52 " and name "HD1 ")
2.500 0.800 0.800 peak 7618 weight 0.10000E+01 volume 0.49500E+00 ppm1 1.637 ppm2 1.154
ASSI { 7624}
(segid " " and resid "52 " and name "HE2 ")
(segid " " and resid "52 " and name "HD1 ")
2.600 0.800 0.800 peak 7624 weight 0.10000E+01 volume 0.47300E+00 ppm1 0.212 ppm2 1.165
ASSI { 7627}
(segid " " and resid "52 " and name "HE2 ")
(segid " " and resid "22 " and name "HD11")
3.300 1.400 1.400 peak 7627 weight 0.10000E+01 volume 0.27800E+00 ppm1 0.205 ppm2 0.516
OR { 7627}
(segid " " and resid "52 " and name "HE2 ")
(segid " " and resid "22 " and name "HD13")
OR { 7627}
(segid " " and resid "52 " and name "HE2 ")
(segid " " and resid "22 " and name "HD12")
ASSI { 5456}
(segid " " and resid "91 " and name "HB2 ")
(segid " " and resid "91 " and name "HA ")
2.600 0.800 0.800 peak 5456 weight 0.10000E+01 volume 0.10280E+01 ppm1 1.442 ppm2 4.371
OR { 5456}
(segid " " and resid "91 " and name "HB1 ")
(segid " " and resid "91 " and name "HA ")
ASSI { 4726}
(segid " " and resid "38 " and name "HB2 ")
(segid " " and resid "38 " and name "HB1 ")
2.200 0.600 0.600 peak 4726 weight 0.10000E+01 volume 0.11920E+01 ppm1 3.128 ppm2 3.784
ASSI { 4645}
(segid " " and resid "28 " and name "HB1 ")
(segid " " and resid "28 " and name "HD22")
2.100 0.600 0.600 peak 4645 weight 0.10000E+01 volume 0.47070E+01 ppm1 1.618 ppm2 0.782
OR { 4645}
(segid " " and resid "28 " and name "HB2 ")
(segid " " and resid "28 " and name "HD23")
OR { 4645}
(segid " " and resid "28 " and name "HB2 ")
(segid " " and resid "28 " and name "HD22")
OR { 4645}
(segid " " and resid "28 " and name "HB1 ")
(segid " " and resid "28 " and name "HD23")
OR { 4645}
(segid " " and resid "28 " and name "HB1 ")
(segid " " and resid "28 " and name "HD21")
OR { 4645}
(segid " " and resid "28 " and name "HB1 ")
(segid " " and resid "28 " and name "HD13")
OR { 4645}
(segid " " and resid "28 " and name "HB2 ")
(segid " " and resid "28 " and name "HD21")
ASSI { 6631}
(segid " " and resid "28 " and name "HB2 ")
(segid " " and resid "29 " and name "HG2 ")
2.800 1.000 1.000 peak 6631 weight 0.10000E+01 volume 0.27700E+00 ppm1 1.612 ppm2 2.237
OR { 6631}
(segid " " and resid "28 " and name "HB1 ")
(segid " " and resid "29 " and name "HG2 ")
OR { 6631}
(segid " " and resid "28 " and name "HB2 ")
(segid " " and resid "29 " and name "HG1 ")
OR { 6631}
(segid " " and resid "28 " and name "HB2 ")
(segid " " and resid "29 " and name "HB1 ")
ASSI { 5230}
(segid " " and resid "77 " and name "HB2 ")
(segid " " and resid "77 " and name "HA ")
2.400 0.700 0.700 peak 5230 weight 0.10000E+01 volume 0.16790E+01 ppm1 1.279 ppm2 4.688
OR { 5230}
(segid " " and resid "77 " and name "HB1 ")
(segid " " and resid "77 " and name "HA ")
ASSI { 6346}
(segid " " and resid "12 " and name "HB2 ")
(segid " " and resid "12 " and name "HD12")
2.400 0.700 0.700 peak 6346 weight 0.10000E+01 volume 0.22540E+01 ppm1 1.510 ppm2 0.707
OR { 6346}
(segid " " and resid "12 " and name "HB2 ")
(segid " " and resid "12 " and name "HD11")
OR { 6346}
(segid " " and resid "12 " and name "HB2 ")
(segid " " and resid "12 " and name "HD13")
ASSI { 2968}
(segid " " and resid "37 " and name "HD2 ")
(segid " " and resid "37 " and name "HB2 ")
2.800 1.000 1.000 peak 2968 weight 0.10000E+01 volume 0.26900E+00 ppm1 2.560 ppm2 1.492
ASSI { 4736}
(segid " " and resid "39 " and name "HB2 ")
(segid " " and resid "39 " and name "HA ")
2.800 1.000 1.000 peak 4736 weight 0.10000E+01 volume 0.66500E+00 ppm1 1.454 ppm2 4.648
ASSI { 4737}
(segid " " and resid "39 " and name "HB2 ")
(segid " " and resid "41 " and name "HD12")
3.300 1.400 1.400 peak 4737 weight 0.10000E+01 volume 0.34300E+00 ppm1 1.455 ppm2 0.299
OR { 4737}
(segid " " and resid "39 " and name "HB2 ")
(segid " " and resid "41 " and name "HD11")
OR { 4737}
(segid " " and resid "39 " and name "HB2 ")
(segid " " and resid "41 " and name "HD13")
ASSI { 4733}
(segid " " and resid "39 " and name "HB1 ")
(segid " " and resid "39 " and name "HA ")
2.700 0.900 0.900 peak 4733 weight 0.10000E+01 volume 0.80000E+00 ppm1 1.655 ppm2 4.650
ASSI { 5326}
(segid " " and resid "81 " and name "HD2 ")
(segid " " and resid "84 " and name "HD13")
3.200 1.300 1.300 peak 5326 weight 0.10000E+01 volume 0.39200E+00 ppm1 2.694 ppm2 0.661
OR { 5326}
(segid " " and resid "81 " and name "HD2 ")
(segid " " and resid "84 " and name "HD12")
OR { 5326}
(segid " " and resid "81 " and name "HD2 ")
(segid " " and resid "84 " and name "HD11")
ASSI { 5307}
(segid " " and resid "81 " and name "HD1 ")
(segid " " and resid "80 " and name "HA ")
2.600 0.800 0.800 peak 5307 weight 0.10000E+01 volume 0.94500E+00 ppm1 3.407 ppm2 5.254
ASSI { 978}
(segid " " and resid "93 " and name "HD2 ")
(segid " " and resid "90 " and name "HG22")
3.500 1.500 1.500 peak 978 weight 0.10000E+01 volume 0.23200E+00 ppm1 3.683 ppm2 1.031
OR { 978}
(segid " " and resid "93 " and name "HD2 ")
(segid " " and resid "90 " and name "HG21")
OR { 978}
(segid " " and resid "93 " and name "HD2 ")
(segid " " and resid "90 " and name "HG23")
ASSI { 4252}
(segid " " and resid "5 " and name "HD1 ")
(segid " " and resid "5 " and name "HB2 ")
2.800 1.000 1.000 peak 4252 weight 0.10000E+01 volume 0.29600E+00 ppm1 3.866 ppm2 1.521
ASSI { 6291}
(segid " " and resid "8 " and name "HA ")
(segid " " and resid "57 " and name "HA2 ")
4.300 2.300 1.700 peak 6291 weight 0.10000E+01 volume 0.13000E+00 ppm1 4.279 ppm2 3.544
ASSI { 4387}
(segid " " and resid "15 " and name "HA ")
(segid " " and resid "15 " and name "HB1 ")
2.500 0.800 0.800 peak 4387 weight 0.10000E+01 volume 0.11870E+01 ppm1 4.655 ppm2 2.937
ASSI { 4447}
(segid " " and resid "20 " and name "HA ")
(segid " " and resid "20 " and name "HB2 ")
2.700 0.900 0.900 peak 4447 weight 0.10000E+01 volume 0.78800E+00 ppm1 4.985 ppm2 2.739
ASSI { 4338}
(segid " " and resid "12 " and name "HA ")
(segid " " and resid "97 " and name "HA ")
2.700 0.900 0.900 peak 4338 weight 0.10000E+01 volume 0.19670E+01 ppm1 5.266 ppm2 5.086
ASSI { 4646}
(segid " " and resid "29 " and name "HA ")
(segid " " and resid "29 " and name "HB1 ")
2.200 0.600 0.600 peak 4646 weight 0.10000E+01 volume 0.30370E+01 ppm1 4.545 ppm2 2.237
ASSI { 5254}
(segid " " and resid "80 " and name "HA ")
(segid " " and resid "80 " and name "HB2 ")
2.700 0.900 0.900 peak 5254 weight 0.10000E+01 volume 0.76900E+00 ppm1 5.254 ppm2 2.526
ASSI { 5439}
(segid " " and resid "89 " and name "HA ")
(segid " " and resid "89 " and name "HG1 ")
2.400 0.700 0.700 peak 5439 weight 0.10000E+01 volume 0.15070E+01 ppm1 4.533 ppm2 2.170
OR { 5439}
(segid " " and resid "89 " and name "HA ")
(segid " " and resid "89 " and name "HG2 ")
ASSI { 4955}
(segid " " and resid "52 " and name "HA ")
(segid " " and resid "52 " and name "HG1 ")
3.200 1.300 1.300 peak 4955 weight 0.10000E+01 volume 0.28700E+00 ppm1 4.834 ppm2 0.382
ASSI { 7834}
(segid " " and resid "105 " and name "HA ")
(segid " " and resid "105 " and name "HB1 ")
3.000 1.100 1.100 peak 7834 weight 0.10000E+01 volume 0.49100E+00 ppm1 4.943 ppm2 2.917
ASSI { 1309}
(segid " " and resid "6 " and name "HA ")
(segid " " and resid "105 " and name "HD1 ")
3.700 1.700 1.700 peak 1309 weight 0.10000E+01 volume 0.36700E+00 ppm1 2.896 ppm2 7.076
OR { 1309}
(segid " " and resid "6 " and name "HA ")
(segid " " and resid "105 " and name "HD2 ")
ASSI { 5142}
(segid " " and resid "66 " and name "HA ")
(segid " " and resid "66 " and name "HB1 ")
2.400 0.700 0.700 peak 5142 weight 0.10000E+01 volume 0.17170E+01 ppm1 4.416 ppm2 2.195
ASSI { 5543}
(segid " " and resid "103 " and name "HA ")
(segid " " and resid "103 " and name "HE3 ")
3.100 1.200 1.200 peak 5543 weight 0.10000E+01 volume 0.12580E+01 ppm1 4.353 ppm2 7.059
ASSI { 5060}
(segid " " and resid "60 " and name "HA ")
(segid " " and resid "60 " and name "HD1 ")
3.100 1.200 1.200 peak 5060 weight 0.10000E+01 volume 0.10870E+01 ppm1 5.159 ppm2 7.029
OR { 5060}
(segid " " and resid "60 " and name "HA ")
(segid " " and resid "60 " and name "HD2 ")
ASSI { 5209}
(segid " " and resid "70 " and name "HA ")
(segid " " and resid "70 " and name "HB1 ")
2.200 0.600 0.600 peak 5209 weight 0.10000E+01 volume 0.26230E+01 ppm1 4.366 ppm2 3.019
ASSI { 5088}
(segid " " and resid "79 " and name "HA ")
(segid " " and resid "62 " and name "HA2 ")
3.200 1.300 1.300 peak 5088 weight 0.10000E+01 volume 0.78100E+00 ppm1 5.805 ppm2 3.066
ASSI { 5087}
(segid " " and resid "79 " and name "HA ")
(segid " " and resid "62 " and name "HA1 ")
3.100 1.200 1.200 peak 5087 weight 0.10000E+01 volume 0.89900E+00 ppm1 5.807 ppm2 4.668
ASSI { 4814}
(segid " " and resid "43 " and name "HA ")
(segid " " and resid "43 " and name "HB1 ")
2.500 0.800 0.800 peak 4814 weight 0.10000E+01 volume 0.13020E+01 ppm1 3.234 ppm2 1.678
ASSI { 4589}
(segid " " and resid "26 " and name "HA ")
(segid " " and resid "26 " and name "HG21")
3.100 1.200 1.200 peak 4589 weight 0.10000E+01 volume 0.11610E+01 ppm1 4.833 ppm2 0.854
OR { 4589}
(segid " " and resid "26 " and name "HA ")
(segid " " and resid "26 " and name "HG22")
OR { 4589}
(segid " " and resid "26 " and name "HA ")
(segid " " and resid "26 " and name "HG13")
OR { 4589}
(segid " " and resid "26 " and name "HA ")
(segid " " and resid "26 " and name "HG23")
ASSI { 5339}
(segid " " and resid "84 " and name "HA ")
(segid " " and resid "84 " and name "HG12")
3.000 1.100 1.100 peak 5339 weight 0.10000E+01 volume 0.42400E+00 ppm1 4.335 ppm2 1.198
ASSI { 4502}
(segid " " and resid "22 " and name "HA ")
(segid " " and resid "22 " and name "HG23")
2.800 1.000 1.000 peak 4502 weight 0.10000E+01 volume 0.19450E+01 ppm1 4.344 ppm2 0.781
OR { 4502}
(segid " " and resid "22 " and name "HA ")
(segid " " and resid "22 " and name "HG22")
OR { 4502}
(segid " " and resid "22 " and name "HA ")
(segid " " and resid "22 " and name "HG21")
ASSI { 4845}
(segid " " and resid "46 " and name "HA ")
(segid " " and resid "26 " and name "HG21")
3.000 1.100 1.100 peak 4845 weight 0.10000E+01 volume 0.12760E+01 ppm1 4.500 ppm2 0.853
OR { 4845}
(segid " " and resid "46 " and name "HA ")
(segid " " and resid "26 " and name "HG22")
OR { 4845}
(segid " " and resid "46 " and name "HA ")
(segid " " and resid "26 " and name "HG13")
OR { 4845}
(segid " " and resid "46 " and name "HA ")
(segid " " and resid "26 " and name "HG12")
OR { 4845}
(segid " " and resid "46 " and name "HA ")
(segid " " and resid "26 " and name "HG23")
ASSI { 4844}
(segid " " and resid "46 " and name "HA ")
(segid " " and resid "46 " and name "HG23")
2.700 0.900 0.900 peak 4844 weight 0.10000E+01 volume 0.23830E+01 ppm1 4.499 ppm2 0.993
OR { 4844}
(segid " " and resid "46 " and name "HA ")
(segid " " and resid "46 " and name "HG22")
OR { 4844}
(segid " " and resid "46 " and name "HA ")
(segid " " and resid "46 " and name "HG21")
ASSI { 6220}
(segid " " and resid "5 " and name "HA ")
(segid " " and resid "5 " and name "HD2 ")
4.100 2.100 1.900 peak 6220 weight 0.10000E+01 volume 0.69000E-01 ppm1 4.228 ppm2 3.276
ASSI { 4463}
(segid " " and resid "21 " and name "HA ")
(segid " " and resid "21 " and name "HB1 ")
2.700 0.900 0.900 peak 4463 weight 0.10000E+01 volume 0.91800E+00 ppm1 3.512 ppm2 1.499
ASSI { 5473}
(segid " " and resid "93 " and name "HA ")
(segid " " and resid "90 " and name "HG22")
3.000 1.100 1.100 peak 5473 weight 0.10000E+01 volume 0.12480E+01 ppm1 4.163 ppm2 1.028
OR { 5473}
(segid " " and resid "93 " and name "HA ")
(segid " " and resid "90 " and name "HG23")
OR { 5473}
(segid " " and resid "93 " and name "HA ")
(segid " " and resid "90 " and name "HG21")
ASSI { 4884}
(segid " " and resid "49 " and name "HA ")
(segid " " and resid "49 " and name "HG12")
2.900 1.100 1.100 peak 4884 weight 0.10000E+01 volume 0.16030E+01 ppm1 4.373 ppm2 0.690
OR { 4884}
(segid " " and resid "49 " and name "HA ")
(segid " " and resid "49 " and name "HG13")
OR { 4884}
(segid " " and resid "49 " and name "HA ")
(segid " " and resid "49 " and name "HG11")
ASSI { 4883}
(segid " " and resid "49 " and name "HA ")
(segid " " and resid "49 " and name "HG22")
2.800 1.000 1.000 peak 4883 weight 0.10000E+01 volume 0.19390E+01 ppm1 4.371 ppm2 1.118
OR { 4883}
(segid " " and resid "49 " and name "HA ")
(segid " " and resid "49 " and name "HG23")
OR { 4883}
(segid " " and resid "49 " and name "HA ")
(segid " " and resid "49 " and name "HG21")
ASSI { 4940}
(segid " " and resid "51 " and name "HB2 ")
(segid " " and resid "11 " and name "HD2 ")
2.300 0.700 0.700 peak 4940 weight 0.10000E+01 volume 0.82100E+00 ppm1 3.615 ppm2 1.516
OR { 4940}
(segid " " and resid "51 " and name "HB2 ")
(segid " " and resid "11 " and name "HB2 ")
ASSI { 4760}
(segid " " and resid "40 " and name "HB ")
(segid " " and resid "40 " and name "HG21")
2.100 0.600 0.600 peak 4760 weight 0.10000E+01 volume 0.51260E+01 ppm1 4.051 ppm2 1.234
OR { 4760}
(segid " " and resid "40 " and name "HB ")
(segid " " and resid "40 " and name "HG23")
OR { 4760}
(segid " " and resid "40 " and name "HB ")
(segid " " and resid "40 " and name "HG22")
ASSI { 4350}
(segid " " and resid "12 " and name "HD13")
(segid " " and resid "12 " and name "HA ")
3.400 1.400 1.400 peak 4350 weight 0.10000E+01 volume 0.61900E+00 ppm1 0.796 ppm2 5.265
OR { 4350}
(segid " " and resid "12 " and name "HD12")
(segid " " and resid "12 " and name "HA ")
OR { 4350}
(segid " " and resid "12 " and name "HD11")
(segid " " and resid "12 " and name "HA ")
ASSI { 4127}
(segid " " and resid "61 " and name "HH2 ")
(segid " " and resid "61 " and name "HZ2 ")
3.000 1.100 1.100 peak 4127 weight 0.10000E+01 volume 0.19670E+01 ppm1 7.139 ppm2 7.551
ASSI { 5071}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "60 " and name "HB1 ")
3.000 1.100 1.100 peak 5071 weight 0.10000E+01 volume 0.57300E+00 ppm1 7.024 ppm2 3.002
OR { 5071}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "60 " and name "HB2 ")
OR { 5071}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "60 " and name "HB2 ")
OR { 5071}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "60 " and name "HB1 ")
ASSI { 5114}
(segid " " and resid "69 " and name "HD2 ")
(segid " " and resid "69 " and name "HB1 ")
2.300 0.700 0.700 peak 5114 weight 0.10000E+01 volume 0.32210E+01 ppm1 6.854 ppm2 2.839
OR { 5114}
(segid " " and resid "69 " and name "HD1 ")
(segid " " and resid "69 " and name "HB2 ")
OR { 5114}
(segid " " and resid "69 " and name "HD2 ")
(segid " " and resid "69 " and name "HB2 ")
OR { 5114}
(segid " " and resid "69 " and name "HD1 ")
(segid " " and resid "69 " and name "HB1 ")
ASSI { 3721}
(segid " " and resid "31 " and name "HD2 ")
(segid " " and resid "31 " and name "HB2 ")
2.700 0.900 0.900 peak 3721 weight 0.10000E+01 volume 0.10450E+01 ppm1 7.401 ppm2 2.910
ASSI { 4533}
(segid " " and resid "22 " and name "HD12")
(segid " " and resid "22 " and name "HG11")
2.400 0.700 0.700 peak 4533 weight 0.10000E+01 volume 0.22100E+01 ppm1 0.518 ppm2 1.770
OR { 4533}
(segid " " and resid "22 " and name "HD11")
(segid " " and resid "22 " and name "HG11")
OR { 4533}
(segid " " and resid "22 " and name "HD13")
(segid " " and resid "22 " and name "HG11")
ASSI { 5394}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "84 " and name "HG11")
2.400 0.700 0.700 peak 5394 weight 0.10000E+01 volume 0.20720E+01 ppm1 0.674 ppm2 1.645
OR { 5394}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "84 " and name "HG11")
OR { 5394}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "84 " and name "HG11")
ASSI { 5396}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "84 " and name "HG12")
2.500 0.800 0.800 peak 5396 weight 0.10000E+01 volume 0.18870E+01 ppm1 0.674 ppm2 1.196
OR { 5396}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "84 " and name "HG12")
OR { 5396}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "84 " and name "HG12")
ASSI { 4621}
(segid " " and resid "27 " and name "HB1 ")
(segid " " and resid "41 " and name "HD13")
3.300 1.400 1.400 peak 4621 weight 0.10000E+01 volume 0.98600E+00 ppm1 1.396 ppm2 0.293
OR { 4621}
(segid " " and resid "27 " and name "HB1 ")
(segid " " and resid "41 " and name "HD11")
OR { 4621}
(segid " " and resid "27 " and name "HB3 ")
(segid " " and resid "41 " and name "HD13")
OR { 4621}
(segid " " and resid "27 " and name "HB1 ")
(segid " " and resid "41 " and name "HD12")
OR { 4621}
(segid " " and resid "27 " and name "HB3 ")
(segid " " and resid "41 " and name "HD11")
ASSI { 4599}
(segid " " and resid "26 " and name "HG21")
(segid " " and resid "26 " and name "HA ")
2.900 1.100 1.100 peak 4599 weight 0.10000E+01 volume 0.17800E+01 ppm1 0.839 ppm2 4.834
OR { 4599}
(segid " " and resid "26 " and name "HG22")
(segid " " and resid "26 " and name "HA ")
OR { 4599}
(segid " " and resid "26 " and name "HG23")
(segid " " and resid "26 " and name "HA ")
ASSI { 4693}
(segid " " and resid "33 " and name "HB2 ")
(segid " " and resid "40 " and name "HA ")
3.800 1.800 1.800 peak 4693 weight 0.10000E+01 volume 0.34900E+00 ppm1 1.318 ppm2 4.924
OR { 4693}
(segid " " and resid "33 " and name "HB1 ")
(segid " " and resid "40 " and name "HA ")
OR { 4693}
(segid " " and resid "33 " and name "HB3 ")
(segid " " and resid "40 " and name "HA ")
ASSI { 4762}
(segid " " and resid "40 " and name "HG22")
(segid " " and resid "32 " and name "HA ")
2.700 0.900 0.900 peak 4762 weight 0.10000E+01 volume 0.28620E+01 ppm1 1.232 ppm2 4.504
OR { 4762}
(segid " " and resid "40 " and name "HG23")
(segid " " and resid "32 " and name "HA ")
OR { 4762}
(segid " " and resid "40 " and name "HG21")
(segid " " and resid "32 " and name "HA ")
ASSI { 4278}
(segid " " and resid "7 " and name "HD11")
(segid " " and resid "7 " and name "HB1 ")
2.700 0.900 0.900 peak 4278 weight 0.10000E+01 volume 0.10030E+01 ppm1 0.532 ppm2 1.077
OR { 4278}
(segid " " and resid "7 " and name "HD13")
(segid " " and resid "7 " and name "HB1 ")
OR { 4278}
(segid " " and resid "7 " and name "HD12")
(segid " " and resid "7 " and name "HB1 ")
ASSI { 5527}
(segid " " and resid "102 " and name "HG2 ")
(segid " " and resid "102 " and name "HB1 ")
2.400 0.700 0.700 peak 5527 weight 0.10000E+01 volume 0.64700E+00 ppm1 0.349 ppm2 1.594
ASSI { 4581}
(segid " " and resid "25 " and name "HB2 ")
(segid " " and resid "87 " and name "HA ")
2.700 0.900 0.900 peak 4581 weight 0.10000E+01 volume 0.25420E+01 ppm1 1.189 ppm2 4.229
OR { 4581}
(segid " " and resid "25 " and name "HB1 ")
(segid " " and resid "87 " and name "HA ")
ASSI { 7609}
(segid " " and resid "52 " and name "HG2 ")
(segid " " and resid "52 " and name "HE2 ")
2.800 1.000 1.000 peak 7609 weight 0.10000E+01 volume 0.27600E+00 ppm1 -0.796 ppm2 0.222
ASSI { 7607}
(segid " " and resid "52 " and name "HG2 ")
(segid " " and resid "22 " and name "HD11")
3.300 1.400 1.400 peak 7607 weight 0.10000E+01 volume 0.31700E+00 ppm1 -0.804 ppm2 0.520
OR { 7607}
(segid " " and resid "52 " and name "HG2 ")
(segid " " and resid "22 " and name "HD13")
OR { 7607}
(segid " " and resid "52 " and name "HG2 ")
(segid " " and resid "22 " and name "HD12")
ASSI { 7602}
(segid " " and resid "52 " and name "HG2 ")
(segid " " and resid "52 " and name "HE1 ")
2.600 0.800 0.800 peak 7602 weight 0.10000E+01 volume 0.45900E+00 ppm1 -0.809 ppm2 1.651
OR { 7602}
(segid " " and resid "52 " and name "HG2 ")
(segid " " and resid "52 " and name "HB1 ")
ASSI { 4286}
(segid " " and resid "7 " and name "HD23")
(segid " " and resid "7 " and name "HB1 ")
2.700 0.900 0.900 peak 4286 weight 0.10000E+01 volume 0.10080E+01 ppm1 -0.065 ppm2 1.072
OR { 4286}
(segid " " and resid "7 " and name "HD21")
(segid " " and resid "7 " and name "HB1 ")
OR { 4286}
(segid " " and resid "7 " and name "HD22")
(segid " " and resid "7 " and name "HB1 ")
ASSI { 1337}
(segid " " and resid "6 " and name "HG1 ")
(segid " " and resid "6 " and name "HE2 ")
2.400 0.700 0.700 peak 1337 weight 0.10000E+01 volume 0.77600E+00 ppm1 1.596 ppm2 2.890
OR { 1337}
(segid " " and resid "6 " and name "HG1 ")
(segid " " and resid "6 " and name "HA ")
OR { 1337}
(segid " " and resid "6 " and name "HG1 ")
(segid " " and resid "6 " and name "HE1 ")
ASSI { 1338}
(segid " " and resid "6 " and name "HG1 ")
(segid " " and resid "6 " and name "HE2 ")
2.400 0.700 0.700 peak 1338 weight 0.10000E+01 volume 0.64900E+00 ppm1 1.599 ppm2 2.801
OR { 1338}
(segid " " and resid "6 " and name "HG1 ")
(segid " " and resid "6 " and name "HE1 ")
ASSI { 4742}
(segid " " and resid "39 " and name "HD11")
(segid " " and resid "39 " and name "HG ")
2.300 0.700 0.700 peak 4742 weight 0.10000E+01 volume 0.30620E+01 ppm1 0.976 ppm2 1.572
OR { 4742}
(segid " " and resid "39 " and name "HD12")
(segid " " and resid "39 " and name "HG ")
OR { 4742}
(segid " " and resid "39 " and name "HD13")
(segid " " and resid "39 " and name "HG ")
ASSI { 5584}
(segid " " and resid "99 " and name "HG1 ")
(segid " " and resid "99 " and name "HE2 ")
2.100 0.600 0.600 peak 5584 weight 0.10000E+01 volume 0.14400E+01 ppm1 1.609 ppm2 3.072
OR { 5584}
(segid " " and resid "99 " and name "HG2 ")
(segid " " and resid "99 " and name "HE2 ")
OR { 5584}
(segid " " and resid "99 " and name "HG1 ")
(segid " " and resid "99 " and name "HE1 ")
OR { 5584}
(segid " " and resid "99 " and name "HG2 ")
(segid " " and resid "99 " and name "HE1 ")
ASSI { 4297}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "7 " and name "HD23")
4.400 2.400 1.600 peak 4297 weight 0.10000E+01 volume 0.18800E+00 ppm1 1.718 ppm2 -0.062
OR { 4297}
(segid " " and resid "8 " and name "HB3 ")
(segid " " and resid "7 " and name "HD23")
OR { 4297}
(segid " " and resid "8 " and name "HB3 ")
(segid " " and resid "7 " and name "HD21")
OR { 4297}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "7 " and name "HD21")
OR { 4297}
(segid " " and resid "8 " and name "HB3 ")
(segid " " and resid "7 " and name "HD22")
OR { 4297}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "7 " and name "HD22")
ASSI { 4975}
(segid " " and resid "53 " and name "HG ")
(segid " " and resid "53 " and name "HD13")
2.500 0.800 0.800 peak 4975 weight 0.10000E+01 volume 0.16440E+01 ppm1 1.807 ppm2 0.898
OR { 4975}
(segid " " and resid "53 " and name "HG ")
(segid " " and resid "53 " and name "HD12")
OR { 4975}
(segid " " and resid "53 " and name "HG ")
(segid " " and resid "53 " and name "HD11")
ASSI { 4777}
(segid " " and resid "41 " and name "HG11")
(segid " " and resid "41 " and name "HD13")
2.400 0.700 0.700 peak 4777 weight 0.10000E+01 volume 0.23100E+01 ppm1 1.445 ppm2 0.294
OR { 4777}
(segid " " and resid "41 " and name "HG11")
(segid " " and resid "41 " and name "HD12")
OR { 4777}
(segid " " and resid "41 " and name "HG11")
(segid " " and resid "41 " and name "HD11")
ASSI { 5603}
(segid " " and resid "103 " and name "HB2 ")
(segid " " and resid "103 " and name "HB1 ")
1.800 0.400 0.400 peak 5603 weight 0.10000E+01 volume 0.36560E+01 ppm1 3.273 ppm2 3.081
ASSI { 5604}
(segid " " and resid "103 " and name "HB1 ")
(segid " " and resid "103 " and name "HE3 ")
2.800 1.000 1.000 peak 5604 weight 0.10000E+01 volume 0.85400E+00 ppm1 3.076 ppm2 7.101
ASSI { 4510}
(segid " " and resid "22 " and name "HG11")
(segid " " and resid "22 " and name "HG12")
2.100 0.600 0.600 peak 4510 weight 0.10000E+01 volume 0.16400E+01 ppm1 1.772 ppm2 0.600
ASSI { 4404}
(segid " " and resid "16 " and name "HB1 ")
(segid " " and resid "16 " and name "HG2 ")
1.900 0.500 0.500 peak 4404 weight 0.10000E+01 volume 0.31310E+01 ppm1 2.113 ppm2 2.452
OR { 4404}
(segid " " and resid "16 " and name "HB2 ")
(segid " " and resid "16 " and name "HG1 ")
OR { 4404}
(segid " " and resid "16 " and name "HB2 ")
(segid " " and resid "16 " and name "HG2 ")
OR { 4404}
(segid " " and resid "16 " and name "HB1 ")
(segid " " and resid "16 " and name "HG1 ")
ASSI { 4451}
(segid " " and resid "20 " and name "HB1 ")
(segid " " and resid "20 " and name "HB2 ")
1.800 0.400 0.400 peak 4451 weight 0.10000E+01 volume 0.34700E+01 ppm1 3.310 ppm2 2.744
ASSI { 7638}
(segid " " and resid "52 " and name "HD2 ")
(segid " " and resid "52 " and name "HB1 ")
2.400 0.700 0.700 peak 7638 weight 0.10000E+01 volume 0.64100E+00 ppm1 0.994 ppm2 1.643
OR { 7638}
(segid " " and resid "52 " and name "HD2 ")
(segid " " and resid "52 " and name "HE1 ")
ASSI { 4808}
(segid " " and resid "42 " and name "HB2 ")
(segid " " and resid "42 " and name "HB1 ")
1.700 0.400 0.500 peak 4808 weight 0.10000E+01 volume 0.50160E+01 ppm1 2.872 ppm2 3.196
ASSI { 4474}
(segid " " and resid "21 " and name "HB2 ")
(segid " " and resid "50 " and name "HE1 ")
3.200 1.300 1.300 peak 4474 weight 0.10000E+01 volume 0.41400E+00 ppm1 1.001 ppm2 7.122
OR { 4474}
(segid " " and resid "21 " and name "HB2 ")
(segid " " and resid "50 " and name "HZ ")
OR { 4474}
(segid " " and resid "21 " and name "HB2 ")
(segid " " and resid "50 " and name "HD1 ")
ASSI { 4471}
(segid " " and resid "21 " and name "HB1 ")
(segid " " and resid "21 " and name "HB2 ")
1.900 0.500 0.500 peak 4471 weight 0.10000E+01 volume 0.29190E+01 ppm1 1.498 ppm2 1.001
ASSI { 4183}
(segid " " and resid "1 " and name "HG1 ")
(segid " " and resid "1 " and name "HA ")
3.100 1.200 1.200 peak 4183 weight 0.10000E+01 volume 0.33700E+00 ppm1 2.612 ppm2 4.080
OR { 4183}
(segid " " and resid "1 " and name "HG2 ")
(segid " " and resid "1 " and name "HA ")
ASSI { 5226}
(segid " " and resid "76 " and name "HB2 ")
(segid " " and resid "76 " and name "HD1 ")
2.200 0.600 0.600 peak 5226 weight 0.10000E+01 volume 0.13110E+01 ppm1 1.739 ppm2 3.174
OR { 5226}
(segid " " and resid "76 " and name "HB2 ")
(segid " " and resid "76 " and name "HD2 ")
OR { 5226}
(segid " " and resid "76 " and name "HB1 ")
(segid " " and resid "76 " and name "HD1 ")
OR { 5226}
(segid " " and resid "76 " and name "HB1 ")
(segid " " and resid "76 " and name "HD2 ")
ASSI { 5223}
(segid " " and resid "76 " and name "HB1 ")
(segid " " and resid "76 " and name "HA ")
2.400 0.700 0.700 peak 5223 weight 0.10000E+01 volume 0.16710E+01 ppm1 1.819 ppm2 4.315
OR { 5223}
(segid " " and resid "76 " and name "HB2 ")
(segid " " and resid "76 " and name "HA ")
ASSI { 4242}
(segid " " and resid "5 " and name "HB2 ")
(segid " " and resid "5 " and name "HB1 ")
1.900 0.500 0.500 peak 4242 weight 0.10000E+01 volume 0.32180E+01 ppm1 1.515 ppm2 2.213
ASSI { 4677}
(segid " " and resid "32 " and name "HG2 ")
(segid " " and resid "32 " and name "HB2 ")
1.700 0.400 0.500 peak 4677 weight 0.10000E+01 volume 0.62980E+01 ppm1 2.352 ppm2 1.725
OR { 4677}
(segid " " and resid "32 " and name "HG2 ")
(segid " " and resid "32 " and name "HB1 ")
ASSI { 1278}
(segid " " and resid "6 " and name "HB1 ")
(segid " " and resid "6 " and name "HA ")
2.700 0.900 0.900 peak 1278 weight 0.10000E+01 volume 0.84500E+00 ppm1 1.384 ppm2 2.889
OR { 1278}
(segid " " and resid "6 " and name "HB1 ")
(segid " " and resid "6 " and name "HE2 ")
OR { 1278}
(segid " " and resid "6 " and name "HB1 ")
(segid " " and resid "6 " and name "HE1 ")
ASSI { 1334}
(segid " " and resid "6 " and name "HB2 ")
(segid " " and resid "6 " and name "HA ")
2.700 0.900 0.900 peak 1334 weight 0.10000E+01 volume 0.70800E+00 ppm1 1.232 ppm2 2.890
OR { 1334}
(segid " " and resid "6 " and name "HB2 ")
(segid " " and resid "6 " and name "HE2 ")
ASSI { 6650}
(segid " " and resid "65 " and name "HB ")
(segid " " and resid "65 " and name "HG21")
2.100 0.600 0.600 peak 6650 weight 0.10000E+01 volume 0.51500E+01 ppm1 2.265 ppm2 1.041
OR { 6650}
(segid " " and resid "65 " and name "HB ")
(segid " " and resid "65 " and name "HG13")
OR { 6650}
(segid " " and resid "65 " and name "HB ")
(segid " " and resid "65 " and name "HG11")
OR { 6650}
(segid " " and resid "65 " and name "HB ")
(segid " " and resid "65 " and name "HG23")
OR { 6650}
(segid " " and resid "65 " and name "HB ")
(segid " " and resid "65 " and name "HG22")
OR { 6650}
(segid " " and resid "65 " and name "HB ")
(segid " " and resid "65 " and name "HG12")
ASSI { 4116}
(segid " " and resid "61 " and name "HB1 ")
(segid " " and resid "61 " and name "HE3 ")
3.300 1.400 1.400 peak 4116 weight 0.10000E+01 volume 0.33300E+00 ppm1 3.252 ppm2 7.413
ASSI { 6214}
(segid " " and resid "4 " and name "HG1 ")
(segid " " and resid "4 " and name "HA ")
3.700 1.700 1.700 peak 6214 weight 0.10000E+01 volume 0.12800E+00 ppm1 2.715 ppm2 5.040
ASSI { 6562}
(segid " " and resid "95 " and name "HB1 ")
(segid " " and resid "95 " and name "HE2 ")
4.000 2.000 2.000 peak 6562 weight 0.10000E+01 volume 0.34000E-01 ppm1 1.837 ppm2 2.937
OR { 6562}
(segid " " and resid "95 " and name "HB1 ")
(segid " " and resid "95 " and name "HE1 ")
ASSI { 4953}
(segid " " and resid "52 " and name "HB1 ")
(segid " " and resid "52 " and name "HA ")
3.200 1.300 1.300 peak 4953 weight 0.10000E+01 volume 0.29100E+00 ppm1 1.654 ppm2 4.823
ASSI { 4954}
(segid " " and resid "52 " and name "HB2 ")
(segid " " and resid "52 " and name "HA ")
3.200 1.300 1.300 peak 4954 weight 0.10000E+01 volume 0.27600E+00 ppm1 1.419 ppm2 4.821
ASSI { 4319}
(segid " " and resid "10 " and name "HB2 ")
(segid " " and resid "10 " and name "HB1 ")
1.900 0.500 0.500 peak 4319 weight 0.10000E+01 volume 0.30860E+01 ppm1 1.584 ppm2 1.986
ASSI { 4996}
(segid " " and resid "54 " and name "HB2 ")
(segid " " and resid "54 " and name "HB1 ")
1.900 0.500 0.500 peak 4996 weight 0.10000E+01 volume 0.32640E+01 ppm1 1.452 ppm2 1.937
ASSI { 6944}
(segid " " and resid "45 " and name "HG2 ")
(segid " " and resid "45 " and name "HB2 ")
2.000 0.500 0.500 peak 6944 weight 0.10000E+01 volume 0.18890E+01 ppm1 2.394 ppm2 1.968
OR { 6944}
(segid " " and resid "45 " and name "HG1 ")
(segid " " and resid "45 " and name "HB2 ")
ASSI { 4333}
(segid " " and resid "11 " and name "HB1 ")
(segid " " and resid "11 " and name "HD1 ")
2.300 0.700 0.700 peak 4333 weight 0.10000E+01 volume 0.95300E+00 ppm1 1.539 ppm2 1.284
OR { 4333}
(segid " " and resid "11 " and name "HB2 ")
(segid " " and resid "11 " and name "HG1 ")
OR { 4333}
(segid " " and resid "11 " and name "HB2 ")
(segid " " and resid "11 " and name "HD2 ")
OR { 4333}
(segid " " and resid "11 " and name "HB1 ")
(segid " " and resid "11 " and name "HG1 ")
OR { 4333}
(segid " " and resid "11 " and name "HB2 ")
(segid " " and resid "11 " and name "HG2 ")
ASSI { 4330}
(segid " " and resid "11 " and name "HB1 ")
(segid " " and resid "11 " and name "HA ")
2.800 1.000 1.000 peak 4330 weight 0.10000E+01 volume 0.74400E+00 ppm1 1.537 ppm2 4.904
OR { 4330}
(segid " " and resid "11 " and name "HB2 ")
(segid " " and resid "11 " and name "HA ")
ASSI { 5256}
(segid " " and resid "80 " and name "HB1 ")
(segid " " and resid "80 " and name "HA ")
2.900 1.100 1.100 peak 5256 weight 0.10000E+01 volume 0.50300E+00 ppm1 3.472 ppm2 5.262
ASSI { 5361}
(segid " " and resid "84 " and name "HB ")
(segid " " and resid "84 " and name "HA ")
2.400 0.700 0.700 peak 5361 weight 0.10000E+01 volume 0.19130E+01 ppm1 2.135 ppm2 4.338
ASSI { 4960}
(segid " " and resid "53 " and name "HB1 ")
(segid " " and resid "53 " and name "HB2 ")
2.100 0.600 0.600 peak 4960 weight 0.10000E+01 volume 0.14430E+01 ppm1 2.792 ppm2 1.083
ASSI { 4099}
(segid " " and resid "48 " and name "HB1 ")
(segid " " and resid "48 " and name "HD1 ")
2.900 1.100 1.100 peak 4099 weight 0.10000E+01 volume 0.79100E+00 ppm1 2.478 ppm2 6.922
OR { 4099}
(segid " " and resid "48 " and name "HB1 ")
(segid " " and resid "48 " and name "HD2 ")
ASSI { 5623}
(segid " " and resid "106 " and name "HB1 ")
(segid " " and resid "106 " and name "HD1 ")
2.700 0.900 0.900 peak 5623 weight 0.10000E+01 volume 0.12390E+01 ppm1 3.071 ppm2 6.796
OR { 5623}
(segid " " and resid "106 " and name "HB2 ")
(segid " " and resid "106 " and name "HD2 ")
ASSI { 3752}
(segid " " and resid "79 " and name "HB1 ")
(segid " " and resid "79 " and name "HA ")
3.000 1.100 1.100 peak 3752 weight 0.10000E+01 volume 0.42000E+00 ppm1 2.682 ppm2 5.811
ASSI { 5536}
(segid " " and resid "102 " and name "HE2 ")
(segid " " and resid "103 " and name "HZ2 ")
3.200 1.300 1.300 peak 5536 weight 0.10000E+01 volume 0.37300E+00 ppm1 2.333 ppm2 7.342
OR { 5536}
(segid " " and resid "102 " and name "HE1 ")
(segid " " and resid "103 " and name "HZ2 ")
ASSI { 5050}
(segid " " and resid "59 " and name "HB2 ")
(segid " " and resid "59 " and name "HA ")
2.400 0.700 0.700 peak 5050 weight 0.10000E+01 volume 0.16780E+01 ppm1 0.864 ppm2 3.973
OR { 5050}
(segid " " and resid "59 " and name "HB1 ")
(segid " " and resid "59 " and name "HA ")
ASSI { 5051}
(segid " " and resid "59 " and name "HB1 ")
(segid " " and resid "59 " and name "HG ")
2.200 0.600 0.600 peak 5051 weight 0.10000E+01 volume 0.12400E+01 ppm1 0.863 ppm2 1.286
OR { 5051}
(segid " " and resid "59 " and name "HB2 ")
(segid " " and resid "59 " and name "HG ")
ASSI { 7625}
(segid " " and resid "52 " and name "HE2 ")
(segid " " and resid "52 " and name "HD2 ")
2.600 0.800 0.800 peak 7625 weight 0.10000E+01 volume 0.42300E+00 ppm1 0.213 ppm2 0.998
ASSI { 7629}
(segid " " and resid "52 " and name "HE2 ")
(segid " " and resid "52 " and name "HG1 ")
2.600 0.800 0.800 peak 7629 weight 0.10000E+01 volume 0.39500E+00 ppm1 0.204 ppm2 0.382
ASSI { 7621}
(segid " " and resid "52 " and name "HE1 ")
(segid " " and resid "52 " and name "HG1 ")
2.600 0.800 0.800 peak 7621 weight 0.10000E+01 volume 0.44300E+00 ppm1 1.646 ppm2 0.375
ASSI { 4660}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "11 " and name "HG2 ")
2.200 0.600 0.600 peak 4660 weight 0.10000E+01 volume 0.12460E+01 ppm1 2.667 ppm2 1.198
OR { 4660}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "11 " and name "HD1 ")
OR { 4660}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "11 " and name "HD2 ")
OR { 4660}
(segid " " and resid "11 " and name "HE1 ")
(segid " " and resid "11 " and name "HD1 ")
ASSI { 5218}
(segid " " and resid "73 " and name "HB2 ")
(segid " " and resid "73 " and name "HA ")
2.400 0.700 0.700 peak 5218 weight 0.10000E+01 volume 0.15170E+01 ppm1 1.536 ppm2 4.240
OR { 5218}
(segid " " and resid "73 " and name "HB1 ")
(segid " " and resid "73 " and name "HA ")
ASSI { 4719}
(segid " " and resid "38 " and name "HB1 ")
(segid " " and resid "33 " and name "HA ")
3.100 1.200 1.200 peak 4719 weight 0.10000E+01 volume 0.33700E+00 ppm1 3.783 ppm2 4.039
ASSI { 4267}
(segid " " and resid "7 " and name "HB2 ")
(segid " " and resid "7 " and name "HA ")
3.000 1.100 1.100 peak 4267 weight 0.10000E+01 volume 0.42500E+00 ppm1 0.895 ppm2 3.860
ASSI { 5166}
(segid " " and resid "62 " and name "HA1 ")
(segid " " and resid "62 " and name "HA2 ")
3.000 1.100 1.100 peak 5166 weight 0.10000E+01 volume 0.10530E+01 ppm1 4.645 ppm2 3.064
ASSI { 4190}
(segid " " and resid "37 " and name "HD1 ")
(segid " " and resid "37 " and name "HD2 ")
2.300 0.700 0.700 peak 4190 weight 0.10000E+01 volume 0.95300E+00 ppm1 3.474 ppm2 2.560
ASSI { 2721}
(segid " " and resid "37 " and name "HD2 ")
(segid " " and resid "37 " and name "HG2 ")
2.600 0.800 0.800 peak 2721 weight 0.10000E+01 volume 0.47400E+00 ppm1 2.566 ppm2 1.666
ASSI { 5248}
(segid " " and resid "78 " and name "HA1 ")
(segid " " and resid "39 " and name "HD23")
3.400 1.400 1.400 peak 5248 weight 0.10000E+01 volume 0.63600E+00 ppm1 4.202 ppm2 0.907
OR { 5248}
(segid " " and resid "78 " and name "HA1 ")
(segid " " and resid "39 " and name "HD11")
OR { 5248}
(segid " " and resid "78 " and name "HA1 ")
(segid " " and resid "39 " and name "HD21")
OR { 5248}
(segid " " and resid "78 " and name "HA1 ")
(segid " " and resid "39 " and name "HD13")
ASSI { 4734}
(segid " " and resid "39 " and name "HB1 ")
(segid " " and resid "41 " and name "HD12")
3.200 1.300 1.300 peak 4734 weight 0.10000E+01 volume 0.42700E+00 ppm1 1.658 ppm2 0.288
OR { 4734}
(segid " " and resid "39 " and name "HB1 ")
(segid " " and resid "41 " and name "HD13")
OR { 4734}
(segid " " and resid "39 " and name "HB1 ")
(segid " " and resid "41 " and name "HD11")
ASSI { 5494}
(segid " " and resid "94 " and name "HA1 ")
(segid " " and resid "22 " and name "HG12")
3.100 1.200 1.200 peak 5494 weight 0.10000E+01 volume 0.86600E+00 ppm1 3.789 ppm2 0.525
OR { 5494}
(segid " " and resid "94 " and name "HA1 ")
(segid " " and resid "22 " and name "HD13")
OR { 5494}
(segid " " and resid "94 " and name "HA1 ")
(segid " " and resid "22 " and name "HD12")
ASSI { 4361}
(segid " " and resid "13 " and name "HB2 ")
(segid " " and resid "13 " and name "HB1 ")
1.900 0.500 0.500 peak 4361 weight 0.10000E+01 volume 0.25900E+01 ppm1 3.375 ppm2 4.097
ASSI { 922}
(segid " " and resid "93 " and name "HD1 ")
(segid " " and resid "92 " and name "HA ")
2.300 0.700 0.700 peak 922 weight 0.10000E+01 volume 0.21540E+01 ppm1 3.690 ppm2 4.618
ASSI { 996}
(segid " " and resid "93 " and name "HD2 ")
(segid " " and resid "92 " and name "HA ")
2.300 0.700 0.700 peak 996 weight 0.10000E+01 volume 0.20890E+01 ppm1 3.581 ppm2 4.618
ASSI { 6227}
(segid " " and resid "5 " and name "HD1 ")
(segid " " and resid "5 " and name "HB1 ")
2.900 1.100 1.100 peak 6227 weight 0.10000E+01 volume 0.22200E+00 ppm1 3.868 ppm2 2.230
ASSI { 4249}
(segid " " and resid "5 " and name "HD1 ")
(segid " " and resid "4 " and name "HA ")
2.500 0.800 0.800 peak 4249 weight 0.10000E+01 volume 0.14250E+01 ppm1 3.862 ppm2 5.056
ASSI { 4254}
(segid " " and resid "5 " and name "HD2 ")
(segid " " and resid "5 " and name "HD1 ")
2.000 0.500 0.500 peak 4254 weight 0.10000E+01 volume 0.18360E+01 ppm1 3.274 ppm2 3.869
ASSI { 6226}
(segid " " and resid "5 " and name "HD1 ")
(segid " " and resid "5 " and name "HA ")
3.700 1.700 1.700 peak 6226 weight 0.10000E+01 volume 0.12800E+00 ppm1 3.879 ppm2 4.223
ASSI { 4216}
(segid " " and resid "4 " and name "HA ")
(segid " " and resid "5 " and name "HD2 ")
2.600 0.800 0.800 peak 4216 weight 0.10000E+01 volume 0.10350E+01 ppm1 5.048 ppm2 3.279
ASSI { 5589}
(segid " " and resid "101 " and name "HA ")
(segid " " and resid "101 " and name "HB2 ")
2.300 0.700 0.700 peak 5589 weight 0.10000E+01 volume 0.23700E+01 ppm1 4.948 ppm2 2.627
ASSI { 5588}
(segid " " and resid "101 " and name "HA ")
(segid " " and resid "101 " and name "HB1 ")
2.200 0.600 0.600 peak 5588 weight 0.10000E+01 volume 0.27200E+01 ppm1 4.950 ppm2 2.992
ASSI { 5076}
(segid " " and resid "61 " and name "HA ")
(segid " " and resid "61 " and name "HB2 ")
2.900 1.100 1.100 peak 5076 weight 0.10000E+01 volume 0.55900E+00 ppm1 5.316 ppm2 2.487
ASSI { 5075}
(segid " " and resid "61 " and name "HA ")
(segid " " and resid "61 " and name "HB1 ")
2.700 0.900 0.900 peak 5075 weight 0.10000E+01 volume 0.80900E+00 ppm1 5.315 ppm2 3.257
ASSI { 5074}
(segid " " and resid "61 " and name "HA ")
(segid " " and resid "52 " and name "HA ")
2.900 1.100 1.100 peak 5074 weight 0.10000E+01 volume 0.13920E+01 ppm1 5.315 ppm2 4.824
ASSI { 6771}
(segid " " and resid "34 " and name "HD2 ")
(segid " " and resid "34 " and name "HG1 ")
2.400 0.700 0.700 peak 6771 weight 0.10000E+01 volume 0.64700E+00 ppm1 3.233 ppm2 1.501
ASSI { 4605}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "85 " and name "HA ")
2.600 0.800 0.800 peak 4605 weight 0.10000E+01 volume 0.23400E+01 ppm1 4.560 ppm2 5.347
ASSI { 4670}
(segid " " and resid "32 " and name "HA ")
(segid " " and resid "32 " and name "HG2 ")
3.000 1.100 1.100 peak 4670 weight 0.10000E+01 volume 0.44600E+00 ppm1 4.503 ppm2 2.352
ASSI { 4445}
(segid " " and resid "20 " and name "HA ")
(segid " " and resid "21 " and name "HD1 ")
2.400 0.700 0.700 peak 4445 weight 0.10000E+01 volume 0.15320E+01 ppm1 4.985 ppm2 3.554
ASSI { 4444}
(segid " " and resid "20 " and name "HA ")
(segid " " and resid "50 " and name "HE2 ")
3.400 1.400 1.400 peak 4444 weight 0.10000E+01 volume 0.68400E+00 ppm1 4.987 ppm2 7.129
ASSI { 4271}
(segid " " and resid "7 " and name "HG ")
(segid " " and resid "7 " and name "HD11")
2.600 0.800 0.800 peak 4271 weight 0.10000E+01 volume 0.12270E+01 ppm1 0.872 ppm2 0.527
OR { 4271}
(segid " " and resid "7 " and name "HG ")
(segid " " and resid "7 " and name "HD12")
OR { 4271}
(segid " " and resid "7 " and name "HG ")
(segid " " and resid "7 " and name "HD13")
ASSI { 6344}
(segid " " and resid "13 " and name "HA ")
(segid " " and resid "51 " and name "HA ")
3.400 1.400 1.400 peak 6344 weight 0.10000E+01 volume 0.51300E+00 ppm1 5.078 ppm2 5.482
ASSI { 5547}
(segid " " and resid "97 " and name "HA ")
(segid " " and resid "97 " and name "HB2 ")
2.400 0.700 0.700 peak 5547 weight 0.10000E+01 volume 0.17330E+01 ppm1 5.076 ppm2 2.364
ASSI { 2233}
(segid " " and resid "7 " and name "HA ")
(segid " " and resid "7 " and name "HB1 ")
2.600 0.800 0.800 peak 2233 weight 0.10000E+01 volume 0.11550E+01 ppm1 3.856 ppm2 1.063
ASSI { 4180}
(segid " " and resid "1 " and name "HA ")
(segid " " and resid "1 " and name "HB1 ")
2.200 0.600 0.600 peak 4180 weight 0.10000E+01 volume 0.25730E+01 ppm1 4.077 ppm2 2.210
OR { 4180}
(segid " " and resid "1 " and name "HA ")
(segid " " and resid "1 " and name "HB2 ")
ASSI { 7835}
(segid " " and resid "105 " and name "HA ")
(segid " " and resid "105 " and name "HB2 ")
3.200 1.300 1.300 peak 7835 weight 0.10000E+01 volume 0.32700E+00 ppm1 4.941 ppm2 2.726
ASSI { 4931}
(segid " " and resid "51 " and name "HA ")
(segid " " and resid "22 " and name "HD12")
3.100 1.200 1.200 peak 4931 weight 0.10000E+01 volume 0.10220E+01 ppm1 5.489 ppm2 0.519
OR { 4931}
(segid " " and resid "51 " and name "HA ")
(segid " " and resid "22 " and name "HD11")
OR { 4931}
(segid " " and resid "51 " and name "HA ")
(segid " " and resid "22 " and name "HD13")
ASSI { 4929}
(segid " " and resid "51 " and name "HA ")
(segid " " and resid "51 " and name "HB2 ")
2.400 0.700 0.700 peak 4929 weight 0.10000E+01 volume 0.15720E+01 ppm1 5.485 ppm2 3.612
ASSI { 4539}
(segid " " and resid "23 " and name "HA ")
(segid " " and resid "23 " and name "HB1 ")
2.200 0.600 0.600 peak 4539 weight 0.10000E+01 volume 0.28750E+01 ppm1 4.928 ppm2 3.797
OR { 4539}
(segid " " and resid "23 " and name "HA ")
(segid " " and resid "23 " and name "HB2 ")
ASSI { 4538}
(segid " " and resid "23 " and name "HA ")
(segid " " and resid "90 " and name "HA ")
2.800 1.000 1.000 peak 4538 weight 0.10000E+01 volume 0.16570E+01 ppm1 4.931 ppm2 4.035
ASSI { 1317}
(segid " " and resid "6 " and name "HA ")
(segid " " and resid "6 " and name "HB2 ")
2.600 0.800 0.800 peak 1317 weight 0.10000E+01 volume 0.99200E+00 ppm1 2.899 ppm2 1.226
ASSI { 5063}
(segid " " and resid "60 " and name "HA ")
(segid " " and resid "60 " and name "HB2 ")
2.700 0.900 0.900 peak 5063 weight 0.10000E+01 volume 0.92300E+00 ppm1 5.157 ppm2 2.992
ASSI { 5062}
(segid " " and resid "60 " and name "HA ")
(segid " " and resid "60 " and name "HB1 ")
2.800 1.000 1.000 peak 5062 weight 0.10000E+01 volume 0.70600E+00 ppm1 5.158 ppm2 3.108
ASSI { 5593}
(segid " " and resid "102 " and name "HA ")
(segid " " and resid "102 " and name "HB2 ")
2.200 0.600 0.600 peak 5593 weight 0.10000E+01 volume 0.25010E+01 ppm1 4.002 ppm2 1.365
ASSI { 4435}
(segid " " and resid "19 " and name "HA ")
(segid " " and resid "19 " and name "HB1 ")
2.200 0.600 0.600 peak 4435 weight 0.10000E+01 volume 0.26380E+01 ppm1 4.359 ppm2 3.518
ASSI { 4434}
(segid " " and resid "19 " and name "HA ")
(segid " " and resid "19 " and name "HB2 ")
2.200 0.600 0.600 peak 4434 weight 0.10000E+01 volume 0.29220E+01 ppm1 4.356 ppm2 3.779
ASSI { 4904}
(segid " " and resid "50 " and name "HA ")
(segid " " and resid "21 " and name "HA ")
2.700 0.900 0.900 peak 4904 weight 0.10000E+01 volume 0.21030E+01 ppm1 4.481 ppm2 3.517
ASSI { 5329}
(segid " " and resid "82 " and name "HA ")
(segid " " and resid "82 " and name "HB1 ")
2.400 0.700 0.700 peak 5329 weight 0.10000E+01 volume 0.16150E+01 ppm1 2.880 ppm2 1.381
ASSI { 4842}
(segid " " and resid "46 " and name "HA ")
(segid " " and resid "26 " and name "HA ")
2.600 0.800 0.800 peak 4842 weight 0.10000E+01 volume 0.23280E+01 ppm1 4.501 ppm2 4.832
ASSI { 4755}
(segid " " and resid "40 " and name "HA ")
(segid " " and resid "32 " and name "HA ")
3.000 1.100 1.100 peak 4755 weight 0.10000E+01 volume 0.10880E+01 ppm1 4.916 ppm2 4.501
ASSI { 4701}
(segid " " and resid "34 " and name "HA ")
(segid " " and resid "34 " and name "HD2 ")
3.600 1.600 1.600 peak 4701 weight 0.10000E+01 volume 0.15000E+00 ppm1 4.233 ppm2 3.236
ASSI { 4703}
(segid " " and resid "34 " and name "HA ")
(segid " " and resid "34 " and name "HB2 ")
2.400 0.700 0.700 peak 4703 weight 0.10000E+01 volume 0.15690E+01 ppm1 4.240 ppm2 1.684
ASSI { 4442}
(segid " " and resid "19 " and name "HB1 ")
(segid " " and resid "17 " and name "HB1 ")
2.400 0.700 0.700 peak 4442 weight 0.10000E+01 volume 0.66500E+00 ppm1 3.517 ppm2 2.238
ASSI { 5167}
(segid " " and resid "100 " and name "HB ")
(segid " " and resid "100 " and name "HG21")
2.500 0.800 0.800 peak 5167 weight 0.10000E+01 volume 0.18200E+01 ppm1 4.616 ppm2 0.944
OR { 5167}
(segid " " and resid "100 " and name "HB ")
(segid " " and resid "100 " and name "HG23")
OR { 5167}
(segid " " and resid "100 " and name "HB ")
(segid " " and resid "100 " and name "HG22")
ASSI { 4355}
(segid " " and resid "12 " and name "HD21")
(segid " " and resid "12 " and name "HA ")
2.700 0.900 0.900 peak 4355 weight 0.10000E+01 volume 0.26380E+01 ppm1 0.723 ppm2 5.267
OR { 4355}
(segid " " and resid "12 " and name "HD22")
(segid " " and resid "12 " and name "HA ")
OR { 4355}
(segid " " and resid "12 " and name "HD23")
(segid " " and resid "12 " and name "HA ")
ASSI { 4592}
(segid " " and resid "26 " and name "HB ")
(segid " " and resid "26 " and name "HG23")
2.000 0.500 0.500 peak 4592 weight 0.10000E+01 volume 0.74680E+01 ppm1 1.792 ppm2 0.852
OR { 4592}
(segid " " and resid "26 " and name "HB ")
(segid " " and resid "26 " and name "HG12")
OR { 4592}
(segid " " and resid "26 " and name "HB ")
(segid " " and resid "26 " and name "HG13")
OR { 4592}
(segid " " and resid "26 " and name "HB ")
(segid " " and resid "26 " and name "HG22")
OR { 4592}
(segid " " and resid "26 " and name "HB ")
(segid " " and resid "26 " and name "HG21")
ASSI { 4591}
(segid " " and resid "26 " and name "HB ")
(segid " " and resid "26 " and name "HA ")
2.400 0.700 0.700 peak 4591 weight 0.10000E+01 volume 0.17590E+01 ppm1 1.792 ppm2 4.829
ASSI { 4709}
(segid " " and resid "34 " and name "HB2 ")
(segid " " and resid "34 " and name "HD2 ")
2.700 0.900 0.900 peak 4709 weight 0.10000E+01 volume 0.32900E+00 ppm1 1.683 ppm2 3.233
ASSI { 4594}
(segid " " and resid "95 " and name "HB1 ")
(segid " " and resid "95 " and name "HG1 ")
1.900 0.500 0.500 peak 4594 weight 0.10000E+01 volume 0.26490E+01 ppm1 1.840 ppm2 1.264
OR { 4594}
(segid " " and resid "95 " and name "HB1 ")
(segid " " and resid "95 " and name "HG2 ")
ASSI { 4593}
(segid " " and resid "95 " and name "HB1 ")
(segid " " and resid "95 " and name "HA ")
2.300 0.700 0.700 peak 4593 weight 0.10000E+01 volume 0.21650E+01 ppm1 1.833 ppm2 4.531
ASSI { 5528}
(segid " " and resid "102 " and name "HG2 ")
(segid " " and resid "102 " and name "HB2 ")
2.400 0.700 0.700 peak 5528 weight 0.10000E+01 volume 0.73200E+00 ppm1 0.350 ppm2 1.356
ASSI { 5042}
(segid " " and resid "58 " and name "HG2 ")
(segid " " and resid "58 " and name "HD1 ")
2.000 0.500 0.500 peak 5042 weight 0.10000E+01 volume 0.20700E+01 ppm1 1.404 ppm2 3.225
OR { 5042}
(segid " " and resid "58 " and name "HG2 ")
(segid " " and resid "58 " and name "HD2 ")
ASSI { 5045}
(segid " " and resid "58 " and name "HG2 ")
(segid " " and resid "58 " and name "HB1 ")
2.200 0.600 0.600 peak 5045 weight 0.10000E+01 volume 0.11340E+01 ppm1 1.409 ppm2 2.108
ASSI { 5533}
(segid " " and resid "102 " and name "HD2 ")
(segid " " and resid "102 " and name "HE1 ")
2.000 0.500 0.500 peak 5533 weight 0.10000E+01 volume 0.22810E+01 ppm1 1.246 ppm2 2.341
OR { 5533}
(segid " " and resid "102 " and name "HD1 ")
(segid " " and resid "102 " and name "HE2 ")
OR { 5533}
(segid " " and resid "102 " and name "HD1 ")
(segid " " and resid "102 " and name "HE1 ")
OR { 5533}
(segid " " and resid "102 " and name "HD2 ")
(segid " " and resid "102 " and name "HE2 ")
ASSI { 4450}
(segid " " and resid "20 " and name "HB1 ")
(segid " " and resid "20 " and name "HA ")
2.800 1.000 1.000 peak 4450 weight 0.10000E+01 volume 0.63900E+00 ppm1 3.308 ppm2 4.991
ASSI { 7641}
(segid " " and resid "52 " and name "HD2 ")
(segid " " and resid "52 " and name "HG1 ")
2.700 0.900 0.900 peak 7641 weight 0.10000E+01 volume 0.33600E+00 ppm1 1.000 ppm2 0.380
ASSI { 7640}
(segid " " and resid "52 " and name "HD2 ")
(segid " " and resid "52 " and name "HD1 ")
2.200 0.600 0.600 peak 7640 weight 0.10000E+01 volume 0.11480E+01 ppm1 0.998 ppm2 1.173
ASSI { 5522}
(segid " " and resid "102 " and name "HB2 ")
(segid " " and resid "102 " and name "HG1 ")
2.300 0.700 0.700 peak 5522 weight 0.10000E+01 volume 0.83500E+00 ppm1 1.359 ppm2 0.687
ASSI { 4946}
(segid " " and resid "52 " and name "HB1 ")
(segid " " and resid "52 " and name "HG1 ")
2.800 1.000 1.000 peak 4946 weight 0.10000E+01 volume 0.29400E+00 ppm1 1.657 ppm2 0.377
ASSI { 4952}
(segid " " and resid "52 " and name "HB2 ")
(segid " " and resid "52 " and name "HB1 ")
2.300 0.700 0.700 peak 4952 weight 0.10000E+01 volume 0.88200E+00 ppm1 1.421 ppm2 1.658
ASSI { 4949}
(segid " " and resid "52 " and name "HB2 ")
(segid " " and resid "52 " and name "HG1 ")
2.900 1.100 1.100 peak 4949 weight 0.10000E+01 volume 0.23700E+00 ppm1 1.426 ppm2 0.380
ASSI { 4835}
(segid " " and resid "45 " and name "HG2 ")
(segid " " and resid "45 " and name "HA ")
2.400 0.700 0.700 peak 4835 weight 0.10000E+01 volume 0.15330E+01 ppm1 2.466 ppm2 4.254
OR { 4835}
(segid " " and resid "45 " and name "HG1 ")
(segid " " and resid "45 " and name "HA ")
ASSI { 5105}
(segid " " and resid "48 " and name "HB2 ")
(segid " " and resid "48 " and name "HB1 ")
2.000 0.500 0.500 peak 5105 weight 0.10000E+01 volume 0.22240E+01 ppm1 3.183 ppm2 2.476
ASSI { 4507}
(segid " " and resid "22 " and name "HB ")
(segid " " and resid "22 " and name "HD11")
2.200 0.600 0.600 peak 4507 weight 0.10000E+01 volume 0.19650E+01 ppm1 1.273 ppm2 0.526
OR { 4507}
(segid " " and resid "22 " and name "HB ")
(segid " " and resid "22 " and name "HG12")
OR { 4507}
(segid " " and resid "22 " and name "HB ")
(segid " " and resid "22 " and name "HD13")
OR { 4507}
(segid " " and resid "22 " and name "HB ")
(segid " " and resid "22 " and name "HD12")
ASSI { 5618}
(segid " " and resid "104 " and name "HB2 ")
(segid " " and resid "104 " and name "HB1 ")
1.900 0.500 0.500 peak 5618 weight 0.10000E+01 volume 0.25570E+01 ppm1 2.451 ppm2 1.596
ASSI { 5219}
(segid " " and resid "73 " and name "HB2 ")
(segid " " and resid "73 " and name "HD13")
2.300 0.700 0.700 peak 5219 weight 0.10000E+01 volume 0.32350E+01 ppm1 1.625 ppm2 0.776
OR { 5219}
(segid " " and resid "73 " and name "HB2 ")
(segid " " and resid "73 " and name "HD23")
OR { 5219}
(segid " " and resid "73 " and name "HB1 ")
(segid " " and resid "73 " and name "HD23")
OR { 5219}
(segid " " and resid "73 " and name "HB2 ")
(segid " " and resid "73 " and name "HD21")
OR { 5219}
(segid " " and resid "73 " and name "HB1 ")
(segid " " and resid "73 " and name "HD13")
OR { 5219}
(segid " " and resid "73 " and name "HB2 ")
(segid " " and resid "73 " and name "HD11")
OR { 5219}
(segid " " and resid "73 " and name "HB1 ")
(segid " " and resid "73 " and name "HD12")
OR { 5219}
(segid " " and resid "73 " and name "HB1 ")
(segid " " and resid "73 " and name "HD11")
ASSI { 4268}
(segid " " and resid "7 " and name "HB2 ")
(segid " " and resid "7 " and name "HD13")
3.000 1.100 1.100 peak 4268 weight 0.10000E+01 volume 0.59100E+00 ppm1 0.900 ppm2 0.535
OR { 4268}
(segid " " and resid "7 " and name "HB2 ")
(segid " " and resid "7 " and name "HD11")
OR { 4268}
(segid " " and resid "7 " and name "HB2 ")
(segid " " and resid "7 " and name "HD12")
ASSI { 5500}
(segid " " and resid "94 " and name "HA2 ")
(segid " " and resid "22 " and name "HG12")
3.000 1.100 1.100 peak 5500 weight 0.10000E+01 volume 0.10440E+01 ppm1 3.050 ppm2 0.526
OR { 5500}
(segid " " and resid "94 " and name "HA2 ")
(segid " " and resid "22 " and name "HD13")
OR { 5500}
(segid " " and resid "94 " and name "HA2 ")
(segid " " and resid "22 " and name "HD12")
ASSI { 951}
(segid " " and resid "93 " and name "HD1 ")
(segid " " and resid "93 " and name "HG1 ")
2.100 0.600 0.600 peak 951 weight 0.10000E+01 volume 0.16570E+01 ppm1 3.694 ppm2 1.937
OR { 951}
(segid " " and resid "93 " and name "HD1 ")
(segid " " and resid "93 " and name "HG2 ")
ASSI { 6767}
(segid " " and resid "34 " and name "HD2 ")
(segid " " and resid "33 " and name "HA ")
2.500 0.800 0.800 peak 6767 weight 0.10000E+01 volume 0.13270E+01 ppm1 3.229 ppm2 4.035
ASSI { 4928}
(segid " " and resid "51 " and name "HA ")
(segid " " and resid "51 " and name "HB1 ")
2.400 0.700 0.700 peak 4928 weight 0.10000E+01 volume 0.16980E+01 ppm1 5.485 ppm2 3.955
ASSI { 1316}
(segid " " and resid "6 " and name "HA ")
(segid " " and resid "6 " and name "HB1 ")
2.600 0.800 0.800 peak 1316 weight 0.10000E+01 volume 0.10760E+01 ppm1 2.894 ppm2 1.365
OR { 1316}
(segid " " and resid "6 " and name "HA ")
(segid " " and resid "6 " and name "HG2 ")
ASSI { 5596}
(segid " " and resid "102 " and name "HA ")
(segid " " and resid "102 " and name "HG2 ")
3.100 1.200 1.200 peak 5596 weight 0.10000E+01 volume 0.34500E+00 ppm1 4.001 ppm2 0.348
ASSI { 5334}
(segid " " and resid "82 " and name "HB1 ")
(segid " " and resid "82 " and name "HB2 ")
2.100 0.600 0.600 peak 5334 weight 0.10000E+01 volume 0.17170E+01 ppm1 1.386 ppm2 1.771
ASSI { 4880}
(segid " " and resid "49 " and name "HA ")
(segid " " and resid "63 " and name "HA1 ")
3.100 1.200 1.200 peak 4880 weight 0.10000E+01 volume 0.81300E+00 ppm1 4.374 ppm2 5.099
ASSI { 5452}
(segid " " and resid "90 " and name "HB ")
(segid " " and resid "90 " and name "HG22")
2.100 0.600 0.600 peak 5452 weight 0.10000E+01 volume 0.51810E+01 ppm1 4.008 ppm2 1.029
OR { 5452}
(segid " " and resid "90 " and name "HB ")
(segid " " and resid "90 " and name "HG21")
OR { 5452}
(segid " " and resid "90 " and name "HB ")
(segid " " and resid "90 " and name "HG23")
ASSI { 4213}
(segid " " and resid "3 " and name "HD2 ")
(segid " " and resid "2 " and name "HA1 ")
2.600 0.800 0.800 peak 4213 weight 0.10000E+01 volume 0.11440E+01 ppm1 3.448 ppm2 4.374
ASSI { 7554}
(segid " " and resid "50 " and name "HZ ")
(segid " " and resid "50 " and name "HE2 ")
2.600 0.800 0.800 peak 7554 weight 0.10000E+01 volume 0.46160E+01 ppm1 7.089 ppm2 7.099
OR { 7554}
(segid " " and resid "50 " and name "HZ ")
(segid " " and resid "50 " and name "HE1 ")
ASSI { 5529}
(segid " " and resid "102 " and name "HG2 ")
(segid " " and resid "102 " and name "HD1 ")
2.100 0.600 0.600 peak 5529 weight 0.10000E+01 volume 0.16530E+01 ppm1 0.355 ppm2 1.246
OR { 5529}
(segid " " and resid "102 " and name "HG2 ")
(segid " " and resid "102 " and name "HD2 ")
ASSI { 7608}
(segid " " and resid "52 " and name "HG2 ")
(segid " " and resid "52 " and name "HG1 ")
2.500 0.800 0.800 peak 7608 weight 0.10000E+01 volume 0.55500E+00 ppm1 -0.804 ppm2 0.381
ASSI { 4478}
(segid " " and resid "21 " and name "HB2 ")
(segid " " and resid "21 " and name "HA ")
2.400 0.700 0.700 peak 4478 weight 0.10000E+01 volume 0.16610E+01 ppm1 1.002 ppm2 3.520
ASSI { 7592}
(segid " " and resid "52 " and name "HB1 ")
(segid " " and resid "52 " and name "HG2 ")
2.800 1.000 1.000 peak 7592 weight 0.10000E+01 volume 0.26700E+00 ppm1 1.659 ppm2 -0.809
ASSI { 4113}
(segid " " and resid "70 " and name "HB1 ")
(segid " " and resid "70 " and name "HD2 ")
2.700 0.900 0.900 peak 4113 weight 0.10000E+01 volume 0.12380E+01 ppm1 3.014 ppm2 7.009
OR { 4113}
(segid " " and resid "70 " and name "HB1 ")
(segid " " and resid "70 " and name "HD1 ")
ASSI { 5541}
(segid " " and resid "102 " and name "HE2 ")
(segid " " and resid "102 " and name "HG1 ")
2.100 2.100 2.900 peak 5541 weight 0.10000E+01 volume 0.18050E+01 ppm1 2.340 ppm2 0.693
OR { 5541}
(segid " " and resid "102 " and name "HE1 ")
(segid " " and resid "102 " and name "HG1 ")
ASSI { 7614}
(segid " " and resid "52 " and name "HE1 ")
(segid " " and resid "52 " and name "HG2 ")
2.800 1.000 1.000 peak 7614 weight 0.10000E+01 volume 0.30400E+00 ppm1 1.652 ppm2 -0.815
ASSI { 7622}
(segid " " and resid "52 " and name "HE2 ")
(segid " " and resid "52 " and name "HE1 ")
2.100 0.600 0.600 peak 7622 weight 0.10000E+01 volume 0.15070E+01 ppm1 0.215 ppm2 1.645
ASSI { 5026}
(segid " " and resid "57 " and name "HA2 ")
(segid " " and resid "57 " and name "HA1 ")
2.500 0.800 0.800 peak 5026 weight 0.10000E+01 volume 0.29460E+01 ppm1 3.541 ppm2 4.684
ASSI { 5491}
(segid " " and resid "94 " and name "HA1 ")
(segid " " and resid "94 " and name "HA2 ")
2.400 0.700 0.700 peak 5491 weight 0.10000E+01 volume 0.42190E+01 ppm1 3.794 ppm2 3.053
ASSI { 5194}
(segid " " and resid "64 " and name "HB1 ")
(segid " " and resid "64 " and name "HA ")
2.300 0.700 0.700 peak 5194 weight 0.10000E+01 volume 0.24780E+01 ppm1 3.832 ppm2 5.231
OR { 5194}
(segid " " and resid "64 " and name "HB2 ")
(segid " " and resid "64 " and name "HA ")
ASSI { 4933}
(segid " " and resid "51 " and name "HB1 ")
(segid " " and resid "51 " and name "HB2 ")
1.800 0.400 0.400 peak 4933 weight 0.10000E+01 volume 0.33630E+01 ppm1 3.957 ppm2 3.613
ASSI { 3731}
(segid " " and resid "31 " and name "HA ")
(segid " " and resid "31 " and name "HB1 ")
2.600 0.800 0.800 peak 3731 weight 0.10000E+01 volume 0.11630E+01 ppm1 4.609 ppm2 2.641
ASSI { 3730}
(segid " " and resid "31 " and name "HA ")
(segid " " and resid "31 " and name "HB2 ")
2.400 0.700 0.700 peak 3730 weight 0.10000E+01 volume 0.16300E+01 ppm1 4.609 ppm2 2.913
ASSI { 5581}
(segid " " and resid "99 " and name "HB1 ")
(segid " " and resid "99 " and name "HE2 ")
3.200 1.300 1.300 peak 5581 weight 0.10000E+01 volume 0.11700E+00 ppm1 1.941 ppm2 3.069
OR { 5581}
(segid " " and resid "99 " and name "HB1 ")
(segid " " and resid "99 " and name "HE1 ")
ASSI { 5416}
(segid " " and resid "99 " and name "HB2 ")
(segid " " and resid "99 " and name "HE2 ")
3.500 1.500 1.500 peak 5416 weight 0.10000E+01 volume 0.73000E-01 ppm1 1.832 ppm2 3.075
OR { 5416}
(segid " " and resid "99 " and name "HB2 ")
(segid " " and resid "99 " and name "HE1 ")
ASSI { 4109}
(segid " " and resid "38 " and name "HE1 ")
(segid " " and resid "7 " and name "HD21")
4.200 2.200 1.800 peak 4109 weight 0.10000E+01 volume 0.26600E+00 ppm1 6.838 ppm2 -0.062
OR { 4109}
(segid " " and resid "38 " and name "HE1 ")
(segid " " and resid "7 " and name "HD23")
OR { 4109}
(segid " " and resid "38 " and name "HE2 ")
(segid " " and resid "7 " and name "HD22")
OR { 4109}
(segid " " and resid "38 " and name "HE2 ")
(segid " " and resid "7 " and name "HD21")
OR { 4109}
(segid " " and resid "38 " and name "HE2 ")
(segid " " and resid "7 " and name "HD23")
ASSI { 4279}
(segid " " and resid "7 " and name "HD12")
(segid " " and resid "7 " and name "HD22")
2.600 0.800 0.800 peak 4279 weight 0.10000E+01 volume 0.41390E+01 ppm1 0.532 ppm2 -0.064
OR { 4279}
(segid " " and resid "7 " and name "HD12")
(segid " " and resid "7 " and name "HD21")
OR { 4279}
(segid " " and resid "7 " and name "HD12")
(segid " " and resid "7 " and name "HD23")
OR { 4279}
(segid " " and resid "7 " and name "HD11")
(segid " " and resid "7 " and name "HD21")
OR { 4279}
(segid " " and resid "7 " and name "HD11")
(segid " " and resid "7 " and name "HD22")
OR { 4279}
(segid " " and resid "7 " and name "HD11")
(segid " " and resid "7 " and name "HD23")
ASSI { 5530}
(segid " " and resid "102 " and name "HG2 ")
(segid " " and resid "102 " and name "HG1 ")
1.800 0.400 0.400 peak 5530 weight 0.10000E+01 volume 0.44940E+01 ppm1 0.346 ppm2 0.689
ASSI { 7644}
(segid " " and resid "52 " and name "HD2 ")
(segid " " and resid "52 " and name "HG2 ")
2.800 1.000 1.000 peak 7644 weight 0.10000E+01 volume 0.30100E+00 ppm1 0.992 ppm2 -0.805
ASSI { 2994}
(segid " " and resid "52 " and name "HB2 ")
(segid " " and resid "52 " and name "HG2 ")
2.800 1.000 1.000 peak 2994 weight 0.10000E+01 volume 0.26300E+00 ppm1 1.419 ppm2 -0.830
ASSI { 3758}
(segid " " and resid "79 " and name "HB2 ")
(segid " " and resid "7 " and name "HD22")
3.400 1.400 1.400 peak 3758 weight 0.10000E+01 volume 0.28100E+00 ppm1 1.989 ppm2 -0.070
OR { 3758}
(segid " " and resid "79 " and name "HB2 ")
(segid " " and resid "7 " and name "HD23")
OR { 3758}
(segid " " and resid "79 " and name "HB2 ")
(segid " " and resid "7 " and name "HD21")
ASSI { 3756}
(segid " " and resid "79 " and name "HB2 ")
(segid " " and resid "79 " and name "HA ")
3.000 1.100 1.100 peak 3756 weight 0.10000E+01 volume 0.48300E+00 ppm1 1.998 ppm2 5.807
ASSI { 4269}
(segid " " and resid "7 " and name "HB2 ")
(segid " " and resid "7 " and name "HD23")
3.000 1.100 1.100 peak 4269 weight 0.10000E+01 volume 0.60600E+00 ppm1 0.898 ppm2 -0.065
OR { 4269}
(segid " " and resid "7 " and name "HB2 ")
(segid " " and resid "7 " and name "HD21")
OR { 4269}
(segid " " and resid "7 " and name "HB2 ")
(segid " " and resid "7 " and name "HD22")
ASSI { 3707}
(segid " " and resid "37 " and name "HD2 ")
(segid " " and resid "7 " and name "HD22")
3.700 1.700 1.700 peak 3707 weight 0.10000E+01 volume 0.17600E+00 ppm1 2.562 ppm2 -0.068
OR { 3707}
(segid " " and resid "37 " and name "HD2 ")
(segid " " and resid "7 " and name "HD21")
OR { 3707}
(segid " " and resid "37 " and name "HD2 ")
(segid " " and resid "7 " and name "HD23")
ASSI { 4262}
(segid " " and resid "7 " and name "HA ")
(segid " " and resid "7 " and name "HD21")
3.500 1.500 1.500 peak 4262 weight 0.10000E+01 volume 0.56400E+00 ppm1 3.861 ppm2 -0.065
OR { 4262}
(segid " " and resid "7 " and name "HA ")
(segid " " and resid "7 " and name "HD23")
OR { 4262}
(segid " " and resid "7 " and name "HA ")
(segid " " and resid "7 " and name "HD22")
ASSI { 7600}
(segid " " and resid "52 " and name "HA ")
(segid " " and resid "52 " and name "HG2 ")
3.200 1.300 1.300 peak 7600 weight 0.10000E+01 volume 0.29200E+00 ppm1 4.828 ppm2 -0.826
ASSI { 6279}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "7 " and name "HD22")
3.700 1.700 1.700 peak 6279 weight 0.10000E+01 volume 0.65100E+00 ppm1 7.025 ppm2 -0.060
OR { 6279}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "7 " and name "HD23")
OR { 6279}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "7 " and name "HD21")
OR { 6279}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "7 " and name "HD22")
OR { 6279}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "7 " and name "HD23")
OR { 6279}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "7 " and name "HD21")
ASSI { 6525}
(segid " " and resid "48 " and name "HD2 ")
(segid " " and resid "24 " and name "HG2 ")
2.800 1.000 1.000 peak 6525 weight 0.10000E+01 volume 0.59300E+00 ppm1 6.910 ppm2 2.083
OR { 6525}
(segid " " and resid "48 " and name "HD1 ")
(segid " " and resid "24 " and name "HG2 ")
ASSI { 6975}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "47 " and name "HG23")
2.800 1.000 1.000 peak 6975 weight 0.10000E+01 volume 0.36060E+01 ppm1 0.291 ppm2 0.478
OR { 6975}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "47 " and name "HG12")
OR { 6975}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "47 " and name "HG22")
OR { 6975}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "47 " and name "HG13")
OR { 6975}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "47 " and name "HG21")
OR { 6975}
(segid " " and resid "41 " and name "HD12")
(segid " " and resid "47 " and name "HG22")
OR { 6975}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "47 " and name "HG11")
OR { 6975}
(segid " " and resid "41 " and name "HD11")
(segid " " and resid "47 " and name "HG22")
OR { 6975}
(segid " " and resid "41 " and name "HD12")
(segid " " and resid "47 " and name "HG11")
ASSI { 7380}
(segid " " and resid "74 " and name "HB2 ")
(segid " " and resid "73 " and name "HB1 ")
5.000 3.100 1.000 peak 7380 weight 0.10000E+01 volume -0.45600E+00 ppm1 1.266 ppm2 1.572
OR { 7380}
(segid " " and resid "74 " and name "HB3 ")
(segid " " and resid "73 " and name "HB1 ")
OR { 7380}
(segid " " and resid "74 " and name "HB1 ")
(segid " " and resid "73 " and name "HB2 ")
OR { 7380}
(segid " " and resid "74 " and name "HB2 ")
(segid " " and resid "73 " and name "HB2 ")
OR { 7380}
(segid " " and resid "74 " and name "HB3 ")
(segid " " and resid "73 " and name "HB2 ")
ASSI { 7205}
(segid " " and resid "74 " and name "HB2 ")
(segid " " and resid "77 " and name "HD21")
3.400 1.400 1.400 peak 7205 weight 0.10000E+01 volume 0.61800E+00 ppm1 1.266 ppm2 0.318
OR { 7205}
(segid " " and resid "74 " and name "HB3 ")
(segid " " and resid "77 " and name "HD21")
OR { 7205}
(segid " " and resid "74 " and name "HB3 ")
(segid " " and resid "77 " and name "HD23")
OR { 7205}
(segid " " and resid "74 " and name "HB2 ")
(segid " " and resid "77 " and name "HD23")
OR { 7205}
(segid " " and resid "74 " and name "HB1 ")
(segid " " and resid "77 " and name "HD21")
OR { 7205}
(segid " " and resid "74 " and name "HB2 ")
(segid " " and resid "77 " and name "HD22")
OR { 7205}
(segid " " and resid "74 " and name "HB3 ")
(segid " " and resid "77 " and name "HD22")
OR { 7205}
(segid " " and resid "74 " and name "HB1 ")
(segid " " and resid "77 " and name "HD23")
ASSI { 6708}
(segid " " and resid "33 " and name "HB1 ")
(segid " " and resid "32 " and name "HB1 ")
3.500 1.500 1.500 peak 6708 weight 0.10000E+01 volume 0.26600E+00 ppm1 1.318 ppm2 1.693
OR { 6708}
(segid " " and resid "33 " and name "HB2 ")
(segid " " and resid "32 " and name "HB1 ")
OR { 6708}
(segid " " and resid "33 " and name "HB3 ")
(segid " " and resid "32 " and name "HB1 ")
OR { 6708}
(segid " " and resid "33 " and name "HB1 ")
(segid " " and resid "32 " and name "HB2 ")
OR { 6708}
(segid " " and resid "33 " and name "HB2 ")
(segid " " and resid "32 " and name "HB2 ")
OR { 6708}
(segid " " and resid "33 " and name "HB3 ")
(segid " " and resid "32 " and name "HB2 ")
ASSI { 6928}
(segid " " and resid "47 " and name "HG21")
(segid " " and resid "45 " and name "HB1 ")
3.100 1.200 1.200 peak 6928 weight 0.10000E+01 volume 0.52300E+00 ppm1 0.484 ppm2 2.143
OR { 6928}
(segid " " and resid "47 " and name "HG22")
(segid " " and resid "45 " and name "HB1 ")
OR { 6928}
(segid " " and resid "47 " and name "HG23")
(segid " " and resid "45 " and name "HB1 ")
ASSI { 6555}
(segid " " and resid "85 " and name "HG13")
(segid " " and resid "25 " and name "HB3 ")
2.700 0.900 0.900 peak 6555 weight 0.10000E+01 volume 0.40960E+01 ppm1 0.483 ppm2 1.189
OR { 6555}
(segid " " and resid "85 " and name "HG12")
(segid " " and resid "25 " and name "HB3 ")
OR { 6555}
(segid " " and resid "85 " and name "HG13")
(segid " " and resid "25 " and name "HB1 ")
OR { 6555}
(segid " " and resid "85 " and name "HG11")
(segid " " and resid "25 " and name "HB3 ")
OR { 6555}
(segid " " and resid "85 " and name "HG13")
(segid " " and resid "25 " and name "HB2 ")
OR { 6555}
(segid " " and resid "85 " and name "HG12")
(segid " " and resid "25 " and name "HB1 ")
OR { 6555}
(segid " " and resid "85 " and name "HG12")
(segid " " and resid "25 " and name "HB2 ")
ASSI { 7372}
(segid " " and resid "90 " and name "HG21")
(segid " " and resid "90 " and name "HA ")
2.600 0.800 0.800 peak 7372 weight 0.10000E+01 volume 0.31210E+01 ppm1 1.029 ppm2 4.074
OR { 7372}
(segid " " and resid "90 " and name "HG23")
(segid " " and resid "90 " and name "HA ")
OR { 7372}
(segid " " and resid "90 " and name "HG22")
(segid " " and resid "90 " and name "HA ")
ASSI { 7435}
(segid " " and resid "96 " and name "HG13")
(segid " " and resid "97 " and name "HA ")
5.000 3.100 1.000 peak 7435 weight 0.10000E+01 volume -0.40300E+00 ppm1 0.703 ppm2 5.118
OR { 7435}
(segid " " and resid "96 " and name "HG12")
(segid " " and resid "97 " and name "HA ")
OR { 7435}
(segid " " and resid "96 " and name "HG11")
(segid " " and resid "97 " and name "HA ")
OR { 7435}
(segid " " and resid "96 " and name "HG22")
(segid " " and resid "97 " and name "HA ")
OR { 7435}
(segid " " and resid "96 " and name "HG23")
(segid " " and resid "97 " and name "HA ")
ASSI { 6963}
(segid " " and resid "49 " and name "HG22")
(segid " " and resid "47 " and name "HB ")
5.000 3.100 1.000 peak 6963 weight 0.10000E+01 volume -0.35000E+00 ppm1 1.113 ppm2 1.543
OR { 6963}
(segid " " and resid "49 " and name "HG21")
(segid " " and resid "47 " and name "HB ")
OR { 6963}
(segid " " and resid "49 " and name "HG23")
(segid " " and resid "47 " and name "HB ")
ASSI { 6323}
(segid " " and resid "25 " and name "HB3 ")
(segid " " and resid "47 " and name "HB ")
5.000 3.100 1.000 peak 6323 weight 0.10000E+01 volume -0.13530E+01 ppm1 1.189 ppm2 1.563
OR { 6323}
(segid " " and resid "25 " and name "HB1 ")
(segid " " and resid "47 " and name "HB ")
OR { 6323}
(segid " " and resid "25 " and name "HB2 ")
(segid " " and resid "47 " and name "HB ")
ASSI { 7181}
(segid " " and resid "76 " and name "HG1 ")
(segid " " and resid "75 " and name "HB2 ")
3.100 1.200 1.200 peak 7181 weight 0.10000E+01 volume 0.49500E+00 ppm1 1.550 ppm2 1.261
OR { 7181}
(segid " " and resid "76 " and name "HG1 ")
(segid " " and resid "75 " and name "HB1 ")
OR { 7181}
(segid " " and resid "76 " and name "HG2 ")
(segid " " and resid "75 " and name "HB2 ")
OR { 7181}
(segid " " and resid "76 " and name "HG2 ")
(segid " " and resid "75 " and name "HB1 ")
OR { 7181}
(segid " " and resid "76 " and name "HG1 ")
(segid " " and resid "75 " and name "HB3 ")
OR { 7181}
(segid " " and resid "76 " and name "HG2 ")
(segid " " and resid "75 " and name "HB3 ")
ASSI { 6617}
(segid " " and resid "24 " and name "HG2 ")
(segid " " and resid "91 " and name "HD22")
3.100 1.200 1.200 peak 6617 weight 0.10000E+01 volume 0.53700E+00 ppm1 2.029 ppm2 0.780
OR { 6617}
(segid " " and resid "24 " and name "HG2 ")
(segid " " and resid "91 " and name "HD21")
OR { 6617}
(segid " " and resid "24 " and name "HG2 ")
(segid " " and resid "91 " and name "HD23")
ASSI { 7381}
(segid " " and resid "89 " and name "HG2 ")
(segid " " and resid "91 " and name "HD12")
5.000 3.100 1.000 peak 7381 weight 0.10000E+01 volume -0.74900E+00 ppm1 2.164 ppm2 0.789
OR { 7381}
(segid " " and resid "89 " and name "HG1 ")
(segid " " and resid "91 " and name "HD12")
OR { 7381}
(segid " " and resid "89 " and name "HG2 ")
(segid " " and resid "91 " and name "HD11")
OR { 7381}
(segid " " and resid "89 " and name "HG2 ")
(segid " " and resid "91 " and name "HD13")
OR { 7381}
(segid " " and resid "89 " and name "HG1 ")
(segid " " and resid "91 " and name "HD11")
OR { 7381}
(segid " " and resid "89 " and name "HG1 ")
(segid " " and resid "91 " and name "HD13")
ASSI { 7447}
(segid " " and resid "10 " and name "HB1 ")
(segid " " and resid "99 " and name "HA ")
3.000 1.100 1.100 peak 7447 weight 0.10000E+01 volume 0.36100E+00 ppm1 1.988 ppm2 4.619
ASSI { 7198}
(segid " " and resid "79 " and name "HE2 ")
(segid " " and resid "77 " and name "HD22")
3.900 1.900 1.900 peak 7198 weight 0.10000E+01 volume 0.42400E+00 ppm1 6.661 ppm2 0.318
OR { 7198}
(segid " " and resid "79 " and name "HE2 ")
(segid " " and resid "77 " and name "HD23")
OR { 7198}
(segid " " and resid "79 " and name "HE2 ")
(segid " " and resid "77 " and name "HD21")
OR { 7198}
(segid " " and resid "79 " and name "HE1 ")
(segid " " and resid "77 " and name "HD21")
ASSI { 7133}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "66 " and name "HB2 ")
2.800 1.000 1.000 peak 7133 weight 0.10000E+01 volume 0.10270E+01 ppm1 6.766 ppm2 1.899
OR { 7133}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "66 " and name "HB2 ")
ASSI { 859}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "3 " and name "HG1 ")
3.000 1.100 1.100 peak 859 weight 0.10000E+01 volume 0.71000E+00 ppm1 6.688 ppm2 2.040
ASSI { 7130}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "66 " and name "HA ")
5.000 3.100 1.000 peak 7130 weight 0.10000E+01 volume -0.15860E+01 ppm1 6.769 ppm2 4.419
OR { 7130}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "66 " and name "HA ")
ASSI { 7157}
(segid " " and resid "4 " and name "HE3 ")
(segid " " and resid "79 " and name "HE1 ")
4.400 2.400 1.600 peak 7157 weight 0.10000E+01 volume 0.23900E+00 ppm1 2.140 ppm2 6.696
OR { 7157}
(segid " " and resid "4 " and name "HE2 ")
(segid " " and resid "79 " and name "HE1 ")
OR { 7157}
(segid " " and resid "4 " and name "HE1 ")
(segid " " and resid "79 " and name "HE1 ")
OR { 7157}
(segid " " and resid "4 " and name "HE1 ")
(segid " " and resid "79 " and name "HE2 ")
ASSI { 6641}
(segid " " and resid "4 " and name "HE1 ")
(segid " " and resid "35 " and name "HA ")
5.000 3.100 1.000 peak 6641 weight 0.10000E+01 volume -0.40600E+00 ppm1 2.110 ppm2 4.582
OR { 6641}
(segid " " and resid "4 " and name "HE3 ")
(segid " " and resid "35 " and name "HA ")
OR { 6641}
(segid " " and resid "4 " and name "HE2 ")
(segid " " and resid "35 " and name "HA ")
ASSI { 7260}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "87 " and name "HB1 ")
3.300 1.400 1.400 peak 7260 weight 0.10000E+01 volume 0.34400E+00 ppm1 0.855 ppm2 2.101
OR { 7260}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "87 " and name "HB2 ")
OR { 7260}
(segid " " and resid "85 " and name "HG22")
(segid " " and resid "87 " and name "HB1 ")
OR { 7260}
(segid " " and resid "85 " and name "HG23")
(segid " " and resid "87 " and name "HB1 ")
OR { 7260}
(segid " " and resid "85 " and name "HG22")
(segid " " and resid "87 " and name "HB2 ")
ASSI { 6933}
(segid " " and resid "47 " and name "HG21")
(segid " " and resid "45 " and name "HB2 ")
3.000 1.100 1.100 peak 6933 weight 0.10000E+01 volume 0.66900E+00 ppm1 0.483 ppm2 1.972
OR { 6933}
(segid " " and resid "47 " and name "HG22")
(segid " " and resid "45 " and name "HB2 ")
OR { 6933}
(segid " " and resid "47 " and name "HG23")
(segid " " and resid "45 " and name "HB2 ")
ASSI { 7080}
(segid " " and resid "96 " and name "HG21")
(segid " " and resid "95 " and name "HD2 ")
3.200 1.300 1.300 peak 7080 weight 0.10000E+01 volume 0.42900E+00 ppm1 0.697 ppm2 1.620
OR { 7080}
(segid " " and resid "96 " and name "HG21")
(segid " " and resid "95 " and name "HD1 ")
OR { 7080}
(segid " " and resid "96 " and name "HG22")
(segid " " and resid "95 " and name "HD2 ")
OR { 7080}
(segid " " and resid "96 " and name "HG23")
(segid " " and resid "95 " and name "HD2 ")
OR { 7080}
(segid " " and resid "96 " and name "HG22")
(segid " " and resid "95 " and name "HD1 ")
OR { 7080}
(segid " " and resid "96 " and name "HG23")
(segid " " and resid "95 " and name "HD1 ")
ASSI { 7330}
(segid " " and resid "28 " and name "HD13")
(segid " " and resid "85 " and name "HA ")
5.000 3.100 1.000 peak 7330 weight 0.10000E+01 volume -0.40100E+00 ppm1 0.789 ppm2 5.342
OR { 7330}
(segid " " and resid "28 " and name "HD12")
(segid " " and resid "85 " and name "HA ")
OR { 7330}
(segid " " and resid "28 " and name "HD11")
(segid " " and resid "85 " and name "HA ")
ASSI { 6457}
(segid " " and resid "91 " and name "HD13")
(segid " " and resid "21 " and name "HB1 ")
3.300 1.400 1.400 peak 6457 weight 0.10000E+01 volume 0.38100E+00 ppm1 0.786 ppm2 1.501
OR { 6457}
(segid " " and resid "91 " and name "HD11")
(segid " " and resid "21 " and name "HB1 ")
OR { 6457}
(segid " " and resid "91 " and name "HD12")
(segid " " and resid "21 " and name "HB1 ")
ASSI { 6506}
(segid " " and resid "91 " and name "HD12")
(segid " " and resid "23 " and name "HA ")
5.000 3.100 1.000 peak 6506 weight 0.10000E+01 volume -0.53500E+00 ppm1 0.786 ppm2 4.944
OR { 6506}
(segid " " and resid "91 " and name "HD11")
(segid " " and resid "23 " and name "HA ")
OR { 6506}
(segid " " and resid "91 " and name "HD13")
(segid " " and resid "23 " and name "HA ")
ASSI { 7373}
(segid " " and resid "91 " and name "HD21")
(segid " " and resid "90 " and name "HA ")
3.800 1.800 1.800 peak 7373 weight 0.10000E+01 volume 0.29400E+00 ppm1 0.770 ppm2 4.048
OR { 7373}
(segid " " and resid "91 " and name "HD22")
(segid " " and resid "90 " and name "HA ")
OR { 7373}
(segid " " and resid "91 " and name "HD23")
(segid " " and resid "90 " and name "HA ")
ASSI { 6258}
(segid " " and resid "7 " and name "HG ")
(segid " " and resid "7 " and name "HB1 ")
5.000 3.100 1.000 peak 6258 weight 0.10000E+01 volume -0.57200E+00 ppm1 0.791 ppm2 1.064
ASSI { 7284}
(segid " " and resid "84 " and name "HG11")
(segid " " and resid "84 " and name "HA ")
3.000 1.100 1.100 peak 7284 weight 0.10000E+01 volume 0.37500E+00 ppm1 1.625 ppm2 4.331
ASSI { 6867}
(segid " " and resid "84 " and name "HG11")
(segid " " and resid "41 " and name "HD11")
3.200 1.300 1.300 peak 6867 weight 0.10000E+01 volume 0.44200E+00 ppm1 1.579 ppm2 0.292
OR { 6867}
(segid " " and resid "84 " and name "HG11")
(segid " " and resid "41 " and name "HD13")
OR { 6867}
(segid " " and resid "84 " and name "HG11")
(segid " " and resid "41 " and name "HD12")
ASSI { 6592}
(segid " " and resid "43 " and name "HG2 ")
(segid " " and resid "28 " and name "HA ")
5.000 3.100 1.000 peak 6592 weight 0.10000E+01 volume -0.31900E+00 ppm1 1.298 ppm2 4.277
ASSI { 7128}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "100 " and name "HG23")
2.700 0.900 0.900 peak 7128 weight 0.10000E+01 volume 0.11690E+01 ppm1 1.951 ppm2 1.030
OR { 7128}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "100 " and name "HG21")
OR { 7128}
(segid " " and resid "11 " and name "HD1 ")
(segid " " and resid "100 " and name "HG22")
ASSI { 6608}
(segid " " and resid "86 " and name "HD2 ")
(segid " " and resid "28 " and name "HD12")
5.000 3.100 1.000 peak 6608 weight 0.10000E+01 volume -0.76600E+00 ppm1 3.159 ppm2 0.792
OR { 6608}
(segid " " and resid "86 " and name "HD2 ")
(segid " " and resid "28 " and name "HD11")
OR { 6608}
(segid " " and resid "86 " and name "HD2 ")
(segid " " and resid "28 " and name "HD13")
ASSI { 6368}
(segid " " and resid "12 " and name "HD13")
(segid " " and resid "97 " and name "HA ")
5.000 3.100 1.000 peak 6368 weight 0.10000E+01 volume -0.85000E+00 ppm1 0.797 ppm2 5.090
OR { 6368}
(segid " " and resid "12 " and name "HD12")
(segid " " and resid "97 " and name "HA ")
OR { 6368}
(segid " " and resid "12 " and name "HD11")
(segid " " and resid "97 " and name "HA ")
ASSI { 879}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "3 " and name "HG2 ")
2.600 0.800 0.800 peak 879 weight 0.10000E+01 volume 0.13850E+01 ppm1 6.679 ppm2 1.917
ASSI { 6385}
(segid " " and resid "69 " and name "HE2 ")
(segid " " and resid "74 " and name "HB2 ")
3.500 1.500 1.500 peak 6385 weight 0.10000E+01 volume 0.89800E+00 ppm1 6.680 ppm2 1.274
OR { 6385}
(segid " " and resid "69 " and name "HE2 ")
(segid " " and resid "74 " and name "HB3 ")
OR { 6385}
(segid " " and resid "69 " and name "HE1 ")
(segid " " and resid "74 " and name "HB1 ")
OR { 6385}
(segid " " and resid "69 " and name "HE1 ")
(segid " " and resid "74 " and name "HB2 ")
OR { 6385}
(segid " " and resid "69 " and name "HE1 ")
(segid " " and resid "74 " and name "HB3 ")
ASSI { 6267}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "7 " and name "HD12")
3.700 1.700 1.700 peak 6267 weight 0.10000E+01 volume 0.64300E+00 ppm1 7.027 ppm2 0.530
OR { 6267}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "7 " and name "HD11")
OR { 6267}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "7 " and name "HD11")
OR { 6267}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "7 " and name "HD13")
ASSI { 6862}
(segid " " and resid "31 " and name "HD1 ")
(segid " " and resid "41 " and name "HD11")
3.500 1.500 1.500 peak 6862 weight 0.10000E+01 volume 0.77200E+00 ppm1 7.397 ppm2 0.292
OR { 6862}
(segid " " and resid "31 " and name "HD1 ")
(segid " " and resid "41 " and name "HD12")
OR { 6862}
(segid " " and resid "31 " and name "HD1 ")
(segid " " and resid "41 " and name "HD13")
ASSI { 7309}
(segid " " and resid "31 " and name "HD1 ")
(segid " " and resid "84 " and name "HD13")
3.100 1.200 1.200 peak 7309 weight 0.10000E+01 volume 0.16260E+01 ppm1 7.395 ppm2 0.671
OR { 7309}
(segid " " and resid "31 " and name "HD2 ")
(segid " " and resid "84 " and name "HD11")
OR { 7309}
(segid " " and resid "31 " and name "HD2 ")
(segid " " and resid "84 " and name "HD13")
OR { 7309}
(segid " " and resid "31 " and name "HD1 ")
(segid " " and resid "84 " and name "HD11")
OR { 7309}
(segid " " and resid "31 " and name "HD2 ")
(segid " " and resid "84 " and name "HD12")
ASSI { 6973}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "47 " and name "HG23")
2.900 1.100 1.100 peak 6973 weight 0.10000E+01 volume 0.25600E+01 ppm1 0.693 ppm2 0.474
OR { 6973}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "47 " and name "HG22")
OR { 6973}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "47 " and name "HG23")
OR { 6973}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "47 " and name "HG21")
OR { 6973}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "47 " and name "HG22")
OR { 6973}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "47 " and name "HG21")
OR { 6973}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "47 " and name "HG23")
OR { 6973}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "47 " and name "HG22")
ASSI { 7344}
(segid " " and resid "75 " and name "HB1 ")
(segid " " and resid "76 " and name "HD1 ")
5.000 3.100 1.000 peak 7344 weight 0.10000E+01 volume -0.37500E+00 ppm1 1.268 ppm2 3.171
OR { 7344}
(segid " " and resid "75 " and name "HB1 ")
(segid " " and resid "76 " and name "HD2 ")
OR { 7344}
(segid " " and resid "75 " and name "HB3 ")
(segid " " and resid "76 " and name "HD1 ")
OR { 7344}
(segid " " and resid "75 " and name "HB3 ")
(segid " " and resid "76 " and name "HD2 ")
ASSI { 5024}
(segid " " and resid "98 " and name "HG23")
(segid " " and resid "11 " and name "HE1 ")
6.000 4.500 0.000 peak 5024 weight 0.10000E+01 volume -0.29300E+00 ppm1 0.845 ppm2 3.203
OR { 5024}
(segid " " and resid "98 " and name "HG22")
(segid " " and resid "11 " and name "HE1 ")
OR { 5024}
(segid " " and resid "98 " and name "HG23")
(segid " " and resid "11 " and name "HE2 ")
OR { 5024}
(segid " " and resid "98 " and name "HG22")
(segid " " and resid "11 " and name "HE2 ")
ASSI { 7141}
(segid " " and resid "65 " and name "HG23")
(segid " " and resid "68 " and name "HB2 ")
5.000 3.100 1.000 peak 7141 weight 0.10000E+01 volume -0.36600E+00 ppm1 1.031 ppm2 2.603
OR { 7141}
(segid " " and resid "65 " and name "HG22")
(segid " " and resid "68 " and name "HB2 ")
OR { 7141}
(segid " " and resid "65 " and name "HG21")
(segid " " and resid "68 " and name "HB2 ")
OR { 7141}
(segid " " and resid "65 " and name "HG22")
(segid " " and resid "68 " and name "HB1 ")
ASSI { 6871}
(segid " " and resid "65 " and name "HG13")
(segid " " and resid "41 " and name "HD12")
3.600 1.600 1.600 peak 6871 weight 0.10000E+01 volume 0.78400E+00 ppm1 1.057 ppm2 0.292
OR { 6871}
(segid " " and resid "65 " and name "HG13")
(segid " " and resid "41 " and name "HD13")
OR { 6871}
(segid " " and resid "65 " and name "HG11")
(segid " " and resid "41 " and name "HD12")
OR { 6871}
(segid " " and resid "65 " and name "HG11")
(segid " " and resid "41 " and name "HD13")
OR { 6871}
(segid " " and resid "65 " and name "HG12")
(segid " " and resid "41 " and name "HD12")
OR { 6871}
(segid " " and resid "65 " and name "HG12")
(segid " " and resid "41 " and name "HD13")
OR { 6871}
(segid " " and resid "65 " and name "HG12")
(segid " " and resid "41 " and name "HD11")
ASSI { 7518}
(segid " " and resid "46 " and name "HG22")
(segid " " and resid "45 " and name "HA ")
5.000 3.100 1.000 peak 7518 weight 0.10000E+01 volume -0.56600E+00 ppm1 0.988 ppm2 4.266
OR { 7518}
(segid " " and resid "46 " and name "HG23")
(segid " " and resid "45 " and name "HA ")
OR { 7518}
(segid " " and resid "46 " and name "HG21")
(segid " " and resid "45 " and name "HA ")
ASSI { 6907}
(segid " " and resid "28 " and name "HD12")
(segid " " and resid "86 " and name "HD2 ")
5.000 3.100 1.000 peak 6907 weight 0.10000E+01 volume -0.10460E+01 ppm1 0.787 ppm2 3.202
OR { 6907}
(segid " " and resid "28 " and name "HD11")
(segid " " and resid "86 " and name "HD2 ")
OR { 6907}
(segid " " and resid "28 " and name "HD13")
(segid " " and resid "86 " and name "HD1 ")
OR { 6907}
(segid " " and resid "28 " and name "HD11")
(segid " " and resid "86 " and name "HD1 ")
OR { 6907}
(segid " " and resid "28 " and name "HD13")
(segid " " and resid "86 " and name "HD2 ")
ASSI { 7182}
(segid " " and resid "73 " and name "HD22")
(segid " " and resid "74 " and name "HB1 ")
4.100 2.100 1.900 peak 7182 weight 0.10000E+01 volume 0.36100E+00 ppm1 0.736 ppm2 1.276
OR { 7182}
(segid " " and resid "73 " and name "HD22")
(segid " " and resid "74 " and name "HB2 ")
OR { 7182}
(segid " " and resid "73 " and name "HD23")
(segid " " and resid "74 " and name "HB1 ")
OR { 7182}
(segid " " and resid "73 " and name "HD22")
(segid " " and resid "74 " and name "HB3 ")
OR { 7182}
(segid " " and resid "73 " and name "HD21")
(segid " " and resid "74 " and name "HB1 ")
OR { 7182}
(segid " " and resid "73 " and name "HD21")
(segid " " and resid "74 " and name "HB2 ")
OR { 7182}
(segid " " and resid "73 " and name "HD23")
(segid " " and resid "74 " and name "HB3 ")
ASSI { 6649}
(segid " " and resid "28 " and name "HD22")
(segid " " and resid "29 " and name "HG2 ")
5.000 3.100 1.000 peak 6649 weight 0.10000E+01 volume -0.89400E+00 ppm1 0.780 ppm2 2.234
OR { 6649}
(segid " " and resid "28 " and name "HD23")
(segid " " and resid "29 " and name "HG2 ")
OR { 6649}
(segid " " and resid "28 " and name "HD21")
(segid " " and resid "29 " and name "HG2 ")
OR { 6649}
(segid " " and resid "28 " and name "HD22")
(segid " " and resid "29 " and name "HG1 ")
OR { 6649}
(segid " " and resid "28 " and name "HD23")
(segid " " and resid "29 " and name "HG1 ")
OR { 6649}
(segid " " and resid "28 " and name "HD23")
(segid " " and resid "29 " and name "HB1 ")
OR { 6649}
(segid " " and resid "28 " and name "HD21")
(segid " " and resid "29 " and name "HG1 ")
ASSI { 7461}
(segid " " and resid "53 " and name "HD22")
(segid " " and resid "60 " and name "HB2 ")
5.000 3.100 1.000 peak 7461 weight 0.10000E+01 volume -0.63900E+00 ppm1 0.788 ppm2 3.060
OR { 7461}
(segid " " and resid "53 " and name "HD22")
(segid " " and resid "60 " and name "HB1 ")
OR { 7461}
(segid " " and resid "53 " and name "HD23")
(segid " " and resid "60 " and name "HB2 ")
OR { 7461}
(segid " " and resid "53 " and name "HD21")
(segid " " and resid "60 " and name "HB1 ")
ASSI { 7403}
(segid " " and resid "92 " and name "HD1 ")
(segid " " and resid "93 " and name "HD1 ")
5.000 3.100 1.000 peak 7403 weight 0.10000E+01 volume -0.35400E+00 ppm1 1.598 ppm2 3.698
ASSI { 6665}
(segid " " and resid "92 " and name "HD1 ")
(segid " " and resid "92 " and name "HA ")
5.000 3.100 1.000 peak 6665 weight 0.10000E+01 volume -0.46500E+00 ppm1 1.588 ppm2 4.600
ASSI { 7450}
(segid " " and resid "99 " and name "HD1 ")
(segid " " and resid "99 " and name "HA ")
5.000 3.100 1.000 peak 7450 weight 0.10000E+01 volume -0.42500E+00 ppm1 1.775 ppm2 4.597
OR { 7450}
(segid " " and resid "99 " and name "HD2 ")
(segid " " and resid "99 " and name "HA ")
ASSI { 7430}
(segid " " and resid "66 " and name "HG1 ")
(segid " " and resid "46 " and name "HG13")
5.000 3.100 1.000 peak 7430 weight 0.10000E+01 volume -0.63700E+00 ppm1 2.357 ppm2 0.696
OR { 7430}
(segid " " and resid "66 " and name "HG1 ")
(segid " " and resid "46 " and name "HG12")
OR { 7430}
(segid " " and resid "66 " and name "HG1 ")
(segid " " and resid "46 " and name "HG11")
OR { 7430}
(segid " " and resid "66 " and name "HG2 ")
(segid " " and resid "46 " and name "HG12")
OR { 7430}
(segid " " and resid "66 " and name "HG2 ")
(segid " " and resid "46 " and name "HG11")
ASSI { 6621}
(segid " " and resid "24 " and name "HB1 ")
(segid " " and resid "91 " and name "HD22")
5.000 3.100 1.000 peak 6621 weight 0.10000E+01 volume -0.76900E+00 ppm1 1.793 ppm2 0.780
OR { 6621}
(segid " " and resid "24 " and name "HB1 ")
(segid " " and resid "91 " and name "HD21")
OR { 6621}
(segid " " and resid "24 " and name "HB1 ")
(segid " " and resid "91 " and name "HD23")
ASSI { 6812}
(segid " " and resid "41 " and name "HD12")
(segid " " and resid "39 " and name "HA ")
5.000 3.100 1.000 peak 6812 weight 0.10000E+01 volume -0.33500E+00 ppm1 0.291 ppm2 4.643
OR { 6812}
(segid " " and resid "41 " and name "HD11")
(segid " " and resid "39 " and name "HA ")
OR { 6812}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "39 " and name "HA ")
ASSI { 7470}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "100 " and name "HG23")
5.000 3.100 1.000 peak 7470 weight 0.10000E+01 volume -0.13300E+01 ppm1 2.673 ppm2 0.952
OR { 7470}
(segid " " and resid "11 " and name "HE1 ")
(segid " " and resid "100 " and name "HG23")
OR { 7470}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "100 " and name "HG22")
OR { 7470}
(segid " " and resid "11 " and name "HE1 ")
(segid " " and resid "100 " and name "HG21")
ASSI { 6529}
(segid " " and resid "91 " and name "HD22")
(segid " " and resid "24 " and name "HG1 ")
2.800 1.000 1.000 peak 6529 weight 0.10000E+01 volume 0.91700E+00 ppm1 0.764 ppm2 2.195
OR { 6529}
(segid " " and resid "91 " and name "HD21")
(segid " " and resid "24 " and name "HG1 ")
OR { 6529}
(segid " " and resid "91 " and name "HD23")
(segid " " and resid "24 " and name "HG1 ")
ASSI { 6615}
(segid " " and resid "91 " and name "HA ")
(segid " " and resid "91 " and name "HD23")
5.000 3.100 1.000 peak 6615 weight 0.10000E+01 volume -0.78600E+00 ppm1 4.359 ppm2 0.797
OR { 6615}
(segid " " and resid "91 " and name "HA ")
(segid " " and resid "91 " and name "HD21")
OR { 6615}
(segid " " and resid "91 " and name "HA ")
(segid " " and resid "91 " and name "HD22")
ASSI { 7517}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "108 " and name "HA ")
5.000 3.100 1.000 peak 7517 weight 0.10000E+01 volume -0.15410E+01 ppm1 6.684 ppm2 4.253
ASSI { 6734}
(segid " " and resid "34 " and name "HA ")
(segid " " and resid "34 " and name "HG1 ")
2.700 0.900 0.900 peak 6734 weight 0.10000E+01 volume 0.71600E+00 ppm1 6.929 ppm2 1.505
ASSI { 1068}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "3 " and name "HA ")
3.600 1.600 1.600 peak 1068 weight 0.10000E+01 volume 0.45900E+00 ppm1 6.689 ppm2 4.108
ASSI { 6796}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "38 " and name "HB2 ")
5.000 3.100 1.000 peak 6796 weight 0.10000E+01 volume -0.60400E+00 ppm1 6.929 ppm2 3.145
ASSI { 7256}
(segid " " and resid "61 " and name "HH2 ")
(segid " " and resid "87 " and name "HB1 ")
2.800 1.000 1.000 peak 7256 weight 0.10000E+01 volume 0.88900E+00 ppm1 7.138 ppm2 2.103
OR { 7256}
(segid " " and resid "61 " and name "HH2 ")
(segid " " and resid "87 " and name "HB2 ")
ASSI { 7265}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "81 " and name "HG1 ")
3.300 1.400 1.400 peak 7265 weight 0.10000E+01 volume 0.37000E+00 ppm1 7.019 ppm2 1.931
OR { 7265}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "81 " and name "HG1 ")
ASSI { 4394}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "19 " and name "HA ")
5.000 3.100 1.000 peak 4394 weight 0.10000E+01 volume -0.47800E+00 ppm1 7.127 ppm2 4.370
ASSI { 6454}
(segid " " and resid "48 " and name "HD1 ")
(segid " " and resid "21 " and name "HB1 ")
3.100 1.200 1.200 peak 6454 weight 0.10000E+01 volume 0.50500E+00 ppm1 6.915 ppm2 1.501
OR { 6454}
(segid " " and resid "48 " and name "HD2 ")
(segid " " and resid "21 " and name "HB1 ")
ASSI { 844}
(segid " " and resid "106 " and name "HD2 ")
(segid " " and resid "3 " and name "HB2 ")
3.200 1.300 1.300 peak 844 weight 0.10000E+01 volume 0.42800E+00 ppm1 6.795 ppm2 1.859
ASSI { 6280}
(segid " " and resid "79 " and name "HD1 ")
(segid " " and resid "7 " and name "HD22")
3.900 1.900 1.900 peak 6280 weight 0.10000E+01 volume 0.39500E+00 ppm1 6.933 ppm2 -0.066
OR { 6280}
(segid " " and resid "79 " and name "HD1 ")
(segid " " and resid "7 " and name "HD23")
OR { 6280}
(segid " " and resid "79 " and name "HD1 ")
(segid " " and resid "7 " and name "HD21")
ASSI { 6719}
(segid " " and resid "39 " and name "HA ")
(segid " " and resid "33 " and name "HB2 ")
3.000 1.100 1.100 peak 6719 weight 0.10000E+01 volume 0.13990E+01 ppm1 7.353 ppm2 1.322
OR { 6719}
(segid " " and resid "39 " and name "HA ")
(segid " " and resid "33 " and name "HB1 ")
OR { 6719}
(segid " " and resid "39 " and name "HA ")
(segid " " and resid "33 " and name "HB3 ")
ASSI { 6731}
(segid " " and resid "86 " and name "HA ")
(segid " " and resid "86 " and name "HG2 ")
2.500 0.800 0.800 peak 6731 weight 0.10000E+01 volume 0.99300E+00 ppm1 7.398 ppm2 1.476
ASSI { 7298}
(segid " " and resid "31 " and name "HD2 ")
(segid " " and resid "84 " and name "HG21")
3.500 1.500 1.500 peak 7298 weight 0.10000E+01 volume 0.77700E+00 ppm1 7.396 ppm2 0.795
OR { 7298}
(segid " " and resid "31 " and name "HD2 ")
(segid " " and resid "84 " and name "HG22")
ASSI { 6831}
(segid " " and resid "31 " and name "HD1 ")
(segid " " and resid "40 " and name "HA ")
3.300 1.400 1.400 peak 6831 weight 0.10000E+01 volume 0.66800E+00 ppm1 7.398 ppm2 4.933
ASSI { 6974}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "85 " and name "HG11")
3.200 1.300 1.300 peak 6974 weight 0.10000E+01 volume 0.14230E+01 ppm1 0.673 ppm2 0.486
OR { 6974}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "85 " and name "HG12")
OR { 6974}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "85 " and name "HG11")
OR { 6974}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "85 " and name "HG13")
OR { 6974}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "85 " and name "HG11")
OR { 6974}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "85 " and name "HG12")
ASSI { 6510}
(segid " " and resid "24 " and name "HE1 ")
(segid " " and resid "24 " and name "HA ")
5.000 3.100 1.000 peak 6510 weight 0.10000E+01 volume -0.48600E+00 ppm1 1.843 ppm2 4.904
OR { 6510}
(segid " " and resid "24 " and name "HE3 ")
(segid " " and resid "24 " and name "HA ")
OR { 6510}
(segid " " and resid "24 " and name "HE2 ")
(segid " " and resid "24 " and name "HA ")
ASSI { 6775}
(segid " " and resid "4 " and name "HE1 ")
(segid " " and resid "35 " and name "HB2 ")
5.000 3.100 1.000 peak 6775 weight 0.10000E+01 volume -0.85100E+00 ppm1 2.113 ppm2 3.061
OR { 6775}
(segid " " and resid "4 " and name "HE1 ")
(segid " " and resid "35 " and name "HB1 ")
OR { 6775}
(segid " " and resid "4 " and name "HE3 ")
(segid " " and resid "35 " and name "HB1 ")
OR { 6775}
(segid " " and resid "4 " and name "HE3 ")
(segid " " and resid "35 " and name "HB2 ")
OR { 6775}
(segid " " and resid "4 " and name "HE2 ")
(segid " " and resid "35 " and name "HB2 ")
OR { 6775}
(segid " " and resid "4 " and name "HE2 ")
(segid " " and resid "35 " and name "HB1 ")
ASSI { 6576}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "27 " and name "HA ")
5.000 3.100 1.000 peak 6576 weight 0.10000E+01 volume -0.37300E+00 ppm1 0.797 ppm2 4.559
OR { 6576}
(segid " " and resid "84 " and name "HG23")
(segid " " and resid "27 " and name "HA ")
OR { 6576}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "27 " and name "HA ")
ASSI { 6972}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "85 " and name "HG11")
3.300 1.400 1.400 peak 6972 weight 0.10000E+01 volume 0.13280E+01 ppm1 0.789 ppm2 0.486
OR { 6972}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "85 " and name "HG11")
OR { 6972}
(segid " " and resid "84 " and name "HG23")
(segid " " and resid "85 " and name "HG11")
OR { 6972}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "85 " and name "HG12")
OR { 6972}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "85 " and name "HG12")
OR { 6972}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "85 " and name "HG13")
ASSI { 7137}
(segid " " and resid "74 " and name "HB2 ")
(segid " " and resid "66 " and name "HG2 ")
5.000 5.000 0.000 peak 7137 weight 0.10000E+01 volume -0.51100E+00 ppm1 1.271 ppm2 2.395
OR { 7137}
(segid " " and resid "74 " and name "HB1 ")
(segid " " and resid "66 " and name "HG2 ")
OR { 7137}
(segid " " and resid "74 " and name "HB2 ")
(segid " " and resid "66 " and name "HG1 ")
OR { 7137}
(segid " " and resid "74 " and name "HB1 ")
(segid " " and resid "66 " and name "HG1 ")
OR { 7137}
(segid " " and resid "74 " and name "HB3 ")
(segid " " and resid "66 " and name "HG1 ")
ASSI { 7189}
(segid " " and resid "75 " and name "HB1 ")
(segid " " and resid "76 " and name "HB1 ")
3.100 1.200 1.200 peak 7189 weight 0.10000E+01 volume 0.51200E+00 ppm1 1.272 ppm2 1.773
OR { 7189}
(segid " " and resid "75 " and name "HB1 ")
(segid " " and resid "76 " and name "HB2 ")
OR { 7189}
(segid " " and resid "75 " and name "HB3 ")
(segid " " and resid "76 " and name "HB1 ")
OR { 7189}
(segid " " and resid "75 " and name "HB2 ")
(segid " " and resid "76 " and name "HB2 ")
OR { 7189}
(segid " " and resid "75 " and name "HB3 ")
(segid " " and resid "76 " and name "HB2 ")
ASSI { 7152}
(segid " " and resid "74 " and name "HB3 ")
(segid " " and resid "69 " and name "HD2 ")
3.700 1.700 1.700 peak 7152 weight 0.10000E+01 volume 0.65900E+00 ppm1 1.268 ppm2 6.880
OR { 7152}
(segid " " and resid "74 " and name "HB2 ")
(segid " " and resid "69 " and name "HD2 ")
OR { 7152}
(segid " " and resid "74 " and name "HB1 ")
(segid " " and resid "69 " and name "HD1 ")
OR { 7152}
(segid " " and resid "74 " and name "HB2 ")
(segid " " and resid "69 " and name "HD1 ")
OR { 7152}
(segid " " and resid "74 " and name "HB3 ")
(segid " " and resid "69 " and name "HD1 ")
ASSI { 6960}
(segid " " and resid "14 " and name "HB2 ")
(segid " " and resid "96 " and name "HG23")
3.800 1.800 1.800 peak 6960 weight 0.10000E+01 volume 0.55800E+00 ppm1 1.244 ppm2 0.701
OR { 6960}
(segid " " and resid "14 " and name "HB3 ")
(segid " " and resid "96 " and name "HG23")
OR { 6960}
(segid " " and resid "14 " and name "HB1 ")
(segid " " and resid "96 " and name "HG23")
OR { 6960}
(segid " " and resid "14 " and name "HB2 ")
(segid " " and resid "96 " and name "HG21")
OR { 6960}
(segid " " and resid "14 " and name "HB3 ")
(segid " " and resid "96 " and name "HG21")
OR { 6960}
(segid " " and resid "14 " and name "HB2 ")
(segid " " and resid "96 " and name "HG22")
OR { 6960}
(segid " " and resid "14 " and name "HB3 ")
(segid " " and resid "96 " and name "HG22")
OR { 6960}
(segid " " and resid "14 " and name "HB1 ")
(segid " " and resid "96 " and name "HG22")
ASSI { 7393}
(segid " " and resid "14 " and name "HB2 ")
(segid " " and resid "92 " and name "HE1 ")
5.000 3.100 1.000 peak 7393 weight 0.10000E+01 volume -0.89600E+00 ppm1 1.251 ppm2 2.854
OR { 7393}
(segid " " and resid "14 " and name "HB1 ")
(segid " " and resid "92 " and name "HE2 ")
OR { 7393}
(segid " " and resid "14 " and name "HB3 ")
(segid " " and resid "92 " and name "HE2 ")
OR { 7393}
(segid " " and resid "14 " and name "HB3 ")
(segid " " and resid "92 " and name "HE1 ")
ASSI { 6472}
(segid " " and resid "47 " and name "HG22")
(segid " " and resid "65 " and name "HB ")
3.000 1.100 1.100 peak 6472 weight 0.10000E+01 volume 0.60800E+00 ppm1 0.482 ppm2 2.266
OR { 6472}
(segid " " and resid "47 " and name "HG11")
(segid " " and resid "65 " and name "HB ")
OR { 6472}
(segid " " and resid "47 " and name "HG12")
(segid " " and resid "65 " and name "HB ")
OR { 6472}
(segid " " and resid "47 " and name "HG21")
(segid " " and resid "65 " and name "HB ")
ASSI { 6931}
(segid " " and resid "65 " and name "HG21")
(segid " " and resid "45 " and name "HB2 ")
2.700 0.900 0.900 peak 6931 weight 0.10000E+01 volume 0.11530E+01 ppm1 1.026 ppm2 1.972
OR { 6931}
(segid " " and resid "65 " and name "HG22")
(segid " " and resid "45 " and name "HB2 ")
OR { 6931}
(segid " " and resid "65 " and name "HG23")
(segid " " and resid "45 " and name "HB2 ")
ASSI { 6926}
(segid " " and resid "65 " and name "HG21")
(segid " " and resid "45 " and name "HB1 ")
2.700 0.900 0.900 peak 6926 weight 0.10000E+01 volume 0.10930E+01 ppm1 1.028 ppm2 2.127
OR { 6926}
(segid " " and resid "65 " and name "HG22")
(segid " " and resid "45 " and name "HB1 ")
OR { 6926}
(segid " " and resid "65 " and name "HG23")
(segid " " and resid "45 " and name "HB1 ")
ASSI { 7015}
(segid " " and resid "47 " and name "HG11")
(segid " " and resid "49 " and name "HA ")
3.500 1.500 1.500 peak 7015 weight 0.10000E+01 volume 0.50700E+00 ppm1 0.480 ppm2 4.379
OR { 7015}
(segid " " and resid "47 " and name "HG12")
(segid " " and resid "49 " and name "HA ")
OR { 7015}
(segid " " and resid "47 " and name "HG13")
(segid " " and resid "49 " and name "HA ")
ASSI { 6809}
(segid " " and resid "90 " and name "HG21")
(segid " " and resid "92 " and name "HA ")
5.000 3.100 1.000 peak 6809 weight 0.10000E+01 volume -0.72100E+00 ppm1 1.032 ppm2 4.634
OR { 6809}
(segid " " and resid "90 " and name "HG22")
(segid " " and resid "92 " and name "HA ")
OR { 6809}
(segid " " and resid "90 " and name "HG23")
(segid " " and resid "92 " and name "HA ")
ASSI { 6530}
(segid " " and resid "46 " and name "HG11")
(segid " " and resid "24 " and name "HG1 ")
2.700 0.900 0.900 peak 6530 weight 0.10000E+01 volume 0.10970E+01 ppm1 0.696 ppm2 2.195
OR { 6530}
(segid " " and resid "46 " and name "HG12")
(segid " " and resid "24 " and name "HG1 ")
OR { 6530}
(segid " " and resid "46 " and name "HG13")
(segid " " and resid "24 " and name "HG1 ")
ASSI { 6330}
(segid " " and resid "49 " and name "HG21")
(segid " " and resid "24 " and name "HA ")
6.000 4.500 0.000 peak 6330 weight 0.10000E+01 volume -0.23900E+00 ppm1 1.119 ppm2 4.892
OR { 6330}
(segid " " and resid "49 " and name "HG22")
(segid " " and resid "24 " and name "HA ")
OR { 6330}
(segid " " and resid "49 " and name "HG23")
(segid " " and resid "24 " and name "HA ")
ASSI { 7234}
(segid " " and resid "49 " and name "HG21")
(segid " " and resid "87 " and name "HG1 ")
6.000 4.500 0.000 peak 7234 weight 0.10000E+01 volume -0.26500E+00 ppm1 1.111 ppm2 2.504
OR { 7234}
(segid " " and resid "49 " and name "HG23")
(segid " " and resid "87 " and name "HG1 ")
OR { 7234}
(segid " " and resid "49 " and name "HG22")
(segid " " and resid "87 " and name "HG1 ")
ASSI { 7010}
(segid " " and resid "91 " and name "HD11")
(segid " " and resid "48 " and name "HE1 ")
3.800 1.800 1.800 peak 7010 weight 0.10000E+01 volume 0.47200E+00 ppm1 0.776 ppm2 6.745
OR { 7010}
(segid " " and resid "91 " and name "HD11")
(segid " " and resid "48 " and name "HE2 ")
OR { 7010}
(segid " " and resid "91 " and name "HD12")
(segid " " and resid "48 " and name "HE1 ")
OR { 7010}
(segid " " and resid "91 " and name "HD13")
(segid " " and resid "48 " and name "HE2 ")
ASSI { 6909}
(segid " " and resid "59 " and name "HD21")
(segid " " and resid "58 " and name "HD2 ")
5.000 3.100 1.000 peak 6909 weight 0.10000E+01 volume -0.36800E+00 ppm1 0.655 ppm2 3.215
OR { 6909}
(segid " " and resid "59 " and name "HD21")
(segid " " and resid "58 " and name "HD1 ")
OR { 6909}
(segid " " and resid "59 " and name "HD23")
(segid " " and resid "58 " and name "HD2 ")
OR { 6909}
(segid " " and resid "59 " and name "HD23")
(segid " " and resid "58 " and name "HD1 ")
OR { 6909}
(segid " " and resid "59 " and name "HD22")
(segid " " and resid "58 " and name "HD1 ")
ASSI { 6971}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "47 " and name "HG13")
3.400 1.400 1.400 peak 6971 weight 0.10000E+01 volume 0.99500E+00 ppm1 0.892 ppm2 0.478
OR { 6971}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "47 " and name "HG22")
OR { 6971}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "47 " and name "HG12")
OR { 6971}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "47 " and name "HG13")
OR { 6971}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "47 " and name "HG11")
OR { 6971}
(segid " " and resid "39 " and name "HD21")
(segid " " and resid "47 " and name "HG13")
OR { 6971}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "47 " and name "HG11")
OR { 6971}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "47 " and name "HG12")
OR { 6971}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "47 " and name "HG22")
ASSI { 7467}
(segid " " and resid "77 " and name "HD13")
(segid " " and resid "50 " and name "HA ")
4.000 2.000 2.000 peak 7467 weight 0.10000E+01 volume 0.23400E+00 ppm1 0.531 ppm2 4.497
OR { 7467}
(segid " " and resid "77 " and name "HD12")
(segid " " and resid "50 " and name "HA ")
OR { 7467}
(segid " " and resid "77 " and name "HD11")
(segid " " and resid "50 " and name "HA ")
ASSI { 6624}
(segid " " and resid "21 " and name "HG1 ")
(segid " " and resid "91 " and name "HD23")
2.700 0.900 0.900 peak 6624 weight 0.10000E+01 volume 0.12750E+01 ppm1 1.721 ppm2 0.780
OR { 6624}
(segid " " and resid "21 " and name "HG1 ")
(segid " " and resid "91 " and name "HD21")
OR { 6624}
(segid " " and resid "21 " and name "HG1 ")
(segid " " and resid "91 " and name "HD22")
ASSI { 6717}
(segid " " and resid "34 " and name "HG2 ")
(segid " " and resid "33 " and name "HA ")
5.000 3.100 1.000 peak 6717 weight 0.10000E+01 volume -0.31200E+00 ppm1 1.331 ppm2 4.062
ASSI { 6838}
(segid " " and resid "41 " and name "HG11")
(segid " " and resid "41 " and name "HA ")
2.700 0.900 0.900 peak 6838 weight 0.10000E+01 volume 0.60500E+00 ppm1 1.449 ppm2 4.418
ASSI { 6806}
(segid " " and resid "93 " and name "HG2 ")
(segid " " and resid "92 " and name "HA ")
5.000 3.100 1.000 peak 6806 weight 0.10000E+01 volume -0.43900E+00 ppm1 1.934 ppm2 4.595
ASSI { 7454}
(segid " " and resid "10 " and name "HG2 ")
(segid " " and resid "99 " and name "HA ")
5.000 3.100 1.000 peak 7454 weight 0.10000E+01 volume -0.57000E+00 ppm1 1.547 ppm2 4.601
ASSI { 7364}
(segid " " and resid "95 " and name "HD1 ")
(segid " " and resid "95 " and name "HA ")
5.000 3.100 1.000 peak 7364 weight 0.10000E+01 volume -0.10050E+01 ppm1 1.639 ppm2 4.536
OR { 7364}
(segid " " and resid "95 " and name "HD2 ")
(segid " " and resid "95 " and name "HA ")
ASSI { 7317}
(segid " " and resid "81 " and name "HB1 ")
(segid " " and resid "84 " and name "HD13")
3.800 1.800 1.800 peak 7317 weight 0.10000E+01 volume 0.16200E+00 ppm1 2.065 ppm2 0.679
OR { 7317}
(segid " " and resid "81 " and name "HB1 ")
(segid " " and resid "84 " and name "HD11")
OR { 7317}
(segid " " and resid "81 " and name "HB1 ")
(segid " " and resid "84 " and name "HD12")
ASSI { 6956}
(segid " " and resid "24 " and name "HG2 ")
(segid " " and resid "46 " and name "HG12")
2.800 1.000 1.000 peak 6956 weight 0.10000E+01 volume 0.88900E+00 ppm1 2.031 ppm2 0.697
OR { 6956}
(segid " " and resid "24 " and name "HG2 ")
(segid " " and resid "46 " and name "HG11")
OR { 6956}
(segid " " and resid "24 " and name "HG2 ")
(segid " " and resid "46 " and name "HG13")
ASSI { 7449}
(segid " " and resid "99 " and name "HB2 ")
(segid " " and resid "99 " and name "HA ")
5.000 3.100 1.000 peak 7449 weight 0.10000E+01 volume -0.93000E+00 ppm1 1.835 ppm2 4.577
ASSI { 7512}
(segid " " and resid "108 " and name "HG1 ")
(segid " " and resid "106 " and name "HD2 ")
5.000 3.100 1.000 peak 7512 weight 0.10000E+01 volume -0.45900E+00 ppm1 2.425 ppm2 6.807
OR { 7512}
(segid " " and resid "108 " and name "HG2 ")
(segid " " and resid "106 " and name "HD2 ")
ASSI { 7074}
(segid " " and resid "11 " and name "HE1 ")
(segid " " and resid "98 " and name "HB ")
2.500 0.800 0.800 peak 7074 weight 0.10000E+01 volume 0.47100E+00 ppm1 2.666 ppm2 1.895
OR { 7074}
(segid " " and resid "11 " and name "HE2 ")
(segid " " and resid "98 " and name "HB ")
ASSI { 7183}
(segid " " and resid "76 " and name "HD1 ")
(segid " " and resid "76 " and name "HA ")
2.400 2.400 2.600 peak 7183 weight 0.10000E+01 volume 0.12570E+01 ppm1 3.168 ppm2 4.303
OR { 7183}
(segid " " and resid "76 " and name "HD2 ")
(segid " " and resid "76 " and name "HA ")
ASSI { 6518}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "24 " and name "HB1 ")
5.000 3.100 1.000 peak 6518 weight 0.10000E+01 volume -0.64100E+00 ppm1 6.774 ppm2 1.839
OR { 6518}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "24 " and name "HB1 ")
ASSI { 7523}
(segid " " and resid "38 " and name "HZ ")
(segid " " and resid "7 " and name "HD22")
3.500 1.500 1.500 peak 7523 weight 0.10000E+01 volume 0.76500E+00 ppm1 6.570 ppm2 -0.065
OR { 7523}
(segid " " and resid "38 " and name "HZ ")
(segid " " and resid "7 " and name "HD21")
OR { 7523}
(segid " " and resid "38 " and name "HZ ")
(segid " " and resid "7 " and name "HD23")
ASSI { 865}
(segid " " and resid "106 " and name "HD2 ")
(segid " " and resid "3 " and name "HG2 ")
2.900 1.100 1.100 peak 865 weight 0.10000E+01 volume 0.59000E+00 ppm1 6.788 ppm2 1.910
ASSI { 853}
(segid " " and resid "106 " and name "HD2 ")
(segid " " and resid "3 " and name "HG1 ")
3.200 1.300 1.300 peak 853 weight 0.10000E+01 volume 0.41400E+00 ppm1 6.790 ppm2 2.036
ASSI { 7536}
(segid " " and resid "38 " and name "HD1 ")
(segid " " and resid "7 " and name "HD12")
3.900 1.900 1.900 peak 7536 weight 0.10000E+01 volume 0.43000E+00 ppm1 7.334 ppm2 0.547
OR { 7536}
(segid " " and resid "38 " and name "HD1 ")
(segid " " and resid "7 " and name "HD11")
OR { 7536}
(segid " " and resid "38 " and name "HD2 ")
(segid " " and resid "7 " and name "HD12")
OR { 7536}
(segid " " and resid "38 " and name "HD2 ")
(segid " " and resid "7 " and name "HD11")
OR { 7536}
(segid " " and resid "38 " and name "HD2 ")
(segid " " and resid "7 " and name "HD13")
ASSI { 6765}
(segid " " and resid "38 " and name "HD2 ")
(segid " " and resid "34 " and name "HD2 ")
5.000 3.100 1.000 peak 6765 weight 0.10000E+01 volume -0.47200E+00 ppm1 7.349 ppm2 3.233
OR { 6765}
(segid " " and resid "38 " and name "HD1 ")
(segid " " and resid "34 " and name "HD2 ")
ASSI { 6747}
(segid " " and resid "38 " and name "HD2 ")
(segid " " and resid "34 " and name "HD1 ")
5.000 3.100 1.000 peak 6747 weight 0.10000E+01 volume -0.57400E+00 ppm1 7.358 ppm2 3.796
OR { 6747}
(segid " " and resid "38 " and name "HD1 ")
(segid " " and resid "34 " and name "HD1 ")
ASSI { 6732}
(segid " " and resid "39 " and name "HA ")
(segid " " and resid "39 " and name "HG ")
2.600 0.800 0.800 peak 6732 weight 0.10000E+01 volume 0.90800E+00 ppm1 7.353 ppm2 1.505
ASSI { 7538}
(segid " " and resid "105 " and name "HD2 ")
(segid " " and resid "7 " and name "HD23")
4.000 2.000 2.000 peak 7538 weight 0.10000E+01 volume 0.35900E+00 ppm1 7.072 ppm2 -0.065
OR { 7538}
(segid " " and resid "105 " and name "HD2 ")
(segid " " and resid "7 " and name "HD21")
OR { 7538}
(segid " " and resid "105 " and name "HD2 ")
(segid " " and resid "7 " and name "HD22")
ASSI { 6824}
(segid " " and resid "80 " and name "HD2 ")
(segid " " and resid "39 " and name "HD22")
3.600 1.600 1.600 peak 6824 weight 0.10000E+01 volume 0.80600E+00 ppm1 6.921 ppm2 0.887
OR { 6824}
(segid " " and resid "80 " and name "HD2 ")
(segid " " and resid "39 " and name "HD23")
OR { 6824}
(segid " " and resid "80 " and name "HD2 ")
(segid " " and resid "39 " and name "HD21")
ASSI { 6357}
(segid " " and resid "22 " and name "HD13")
(segid " " and resid "12 " and name "HD12")
4.100 2.100 1.900 peak 6357 weight 0.10000E+01 volume 0.32500E+00 ppm1 0.516 ppm2 0.787
OR { 6357}
(segid " " and resid "22 " and name "HD12")
(segid " " and resid "12 " and name "HD12")
OR { 6357}
(segid " " and resid "22 " and name "HD11")
(segid " " and resid "12 " and name "HD12")
OR { 6357}
(segid " " and resid "22 " and name "HD13")
(segid " " and resid "12 " and name "HD11")
OR { 6357}
(segid " " and resid "22 " and name "HD13")
(segid " " and resid "12 " and name "HD13")
OR { 6357}
(segid " " and resid "22 " and name "HD11")
(segid " " and resid "12 " and name "HD11")
ASSI { 6655}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "29 " and name "HG1 ")
2.800 1.000 1.000 peak 6655 weight 0.10000E+01 volume 0.99400E+00 ppm1 0.673 ppm2 2.248
OR { 6655}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "29 " and name "HG2 ")
OR { 6655}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "29 " and name "HG1 ")
OR { 6655}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "29 " and name "HG1 ")
OR { 6655}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "29 " and name "HG2 ")
ASSI { 6610}
(segid " " and resid "22 " and name "HD11")
(segid " " and resid "49 " and name "HG13")
3.400 1.400 1.400 peak 6610 weight 0.10000E+01 volume 0.10710E+01 ppm1 0.515 ppm2 0.692
OR { 6610}
(segid " " and resid "22 " and name "HD12")
(segid " " and resid "49 " and name "HG13")
OR { 6610}
(segid " " and resid "22 " and name "HD11")
(segid " " and resid "49 " and name "HG11")
OR { 6610}
(segid " " and resid "22 " and name "HD13")
(segid " " and resid "49 " and name "HG13")
OR { 6610}
(segid " " and resid "22 " and name "HD12")
(segid " " and resid "49 " and name "HG11")
OR { 6610}
(segid " " and resid "22 " and name "HD13")
(segid " " and resid "49 " and name "HG11")
ASSI { 6579}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "27 " and name "HA ")
6.000 4.500 0.000 peak 6579 weight 0.10000E+01 volume -0.29700E+00 ppm1 0.673 ppm2 4.549
OR { 6579}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "27 " and name "HA ")
OR { 6579}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "27 " and name "HA ")
ASSI { 6921}
(segid " " and resid "1 " and name "HE1 ")
(segid " " and resid "108 " and name "HA ")
5.000 3.100 1.000 peak 6921 weight 0.10000E+01 volume -0.41900E+00 ppm1 2.136 ppm2 4.281
OR { 6921}
(segid " " and resid "1 " and name "HE3 ")
(segid " " and resid "108 " and name "HA ")
OR { 6921}
(segid " " and resid "1 " and name "HE2 ")
(segid " " and resid "108 " and name "HA ")
ASSI { 7350}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "87 " and name "HA ")
5.000 3.100 1.000 peak 7350 weight 0.10000E+01 volume -0.30000E+00 ppm1 0.837 ppm2 4.229
OR { 7350}
(segid " " and resid "85 " and name "HG23")
(segid " " and resid "87 " and name "HA ")
OR { 7350}
(segid " " and resid "85 " and name "HG22")
(segid " " and resid "87 " and name "HA ")
ASSI { 6780}
(segid " " and resid "33 " and name "HB3 ")
(segid " " and resid "38 " and name "HB2 ")
5.000 3.100 1.000 peak 6780 weight 0.10000E+01 volume -0.82200E+00 ppm1 1.319 ppm2 3.132
OR { 6780}
(segid " " and resid "33 " and name "HB2 ")
(segid " " and resid "38 " and name "HB2 ")
OR { 6780}
(segid " " and resid "33 " and name "HB1 ")
(segid " " and resid "38 " and name "HB2 ")
ASSI { 7127}
(segid " " and resid "47 " and name "HG13")
(segid " " and resid "65 " and name "HA ")
2.800 1.000 1.000 peak 7127 weight 0.10000E+01 volume 0.19120E+01 ppm1 0.481 ppm2 4.642
OR { 7127}
(segid " " and resid "47 " and name "HG11")
(segid " " and resid "65 " and name "HA ")
OR { 7127}
(segid " " and resid "47 " and name "HG22")
(segid " " and resid "65 " and name "HA ")
OR { 7127}
(segid " " and resid "47 " and name "HG12")
(segid " " and resid "65 " and name "HA ")
OR { 7127}
(segid " " and resid "47 " and name "HG21")
(segid " " and resid "65 " and name "HA ")
ASSI { 5182}
(segid " " and resid "47 " and name "HG11")
(segid " " and resid "63 " and name "HA1 ")
6.000 4.500 0.000 peak 5182 weight 0.10000E+01 volume -0.29100E+00 ppm1 0.478 ppm2 5.101
OR { 5182}
(segid " " and resid "47 " and name "HG12")
(segid " " and resid "63 " and name "HA1 ")
OR { 5182}
(segid " " and resid "47 " and name "HG13")
(segid " " and resid "63 " and name "HA1 ")
ASSI { 6987}
(segid " " and resid "47 " and name "HG11")
(segid " " and resid "48 " and name "HA ")
6.000 4.500 0.000 peak 6987 weight 0.10000E+01 volume -0.25100E+00 ppm1 0.482 ppm2 4.905
OR { 6987}
(segid " " and resid "47 " and name "HG12")
(segid " " and resid "48 " and name "HA ")
OR { 6987}
(segid " " and resid "47 " and name "HG13")
(segid " " and resid "48 " and name "HA ")
ASSI { 7417}
(segid " " and resid "96 " and name "HG21")
(segid " " and resid "95 " and name "HG1 ")
2.600 0.800 0.800 peak 7417 weight 0.10000E+01 volume 0.13560E+01 ppm1 0.699 ppm2 1.264
OR { 7417}
(segid " " and resid "96 " and name "HG22")
(segid " " and resid "95 " and name "HG1 ")
OR { 7417}
(segid " " and resid "96 " and name "HG23")
(segid " " and resid "95 " and name "HG1 ")
OR { 7417}
(segid " " and resid "96 " and name "HG23")
(segid " " and resid "95 " and name "HG2 ")
ASSI { 6375}
(segid " " and resid "96 " and name "HG13")
(segid " " and resid "13 " and name "HB2 ")
5.000 3.100 1.000 peak 6375 weight 0.10000E+01 volume -0.43800E+00 ppm1 0.703 ppm2 3.377
OR { 6375}
(segid " " and resid "96 " and name "HG11")
(segid " " and resid "13 " and name "HB2 ")
OR { 6375}
(segid " " and resid "96 " and name "HG12")
(segid " " and resid "13 " and name "HB2 ")
OR { 6375}
(segid " " and resid "96 " and name "HG22")
(segid " " and resid "13 " and name "HB2 ")
ASSI { 6414}
(segid " " and resid "96 " and name "HG11")
(segid " " and resid "16 " and name "HB2 ")
2.500 0.800 0.800 peak 6414 weight 0.10000E+01 volume 0.19620E+01 ppm1 0.702 ppm2 2.143
OR { 6414}
(segid " " and resid "96 " and name "HG13")
(segid " " and resid "16 " and name "HB2 ")
OR { 6414}
(segid " " and resid "96 " and name "HG12")
(segid " " and resid "16 " and name "HB2 ")
OR { 6414}
(segid " " and resid "96 " and name "HG13")
(segid " " and resid "16 " and name "HB1 ")
ASSI { 7466}
(segid " " and resid "100 " and name "HG23")
(segid " " and resid "100 " and name "HA ")
2.700 0.900 0.900 peak 7466 weight 0.10000E+01 volume 0.23110E+01 ppm1 0.949 ppm2 4.496
OR { 7466}
(segid " " and resid "100 " and name "HG21")
(segid " " and resid "100 " and name "HA ")
OR { 7466}
(segid " " and resid "100 " and name "HG22")
(segid " " and resid "100 " and name "HA ")
ASSI { 7438}
(segid " " and resid "98 " and name "HG11")
(segid " " and resid "98 " and name "HA ")
2.600 0.800 0.800 peak 7438 weight 0.10000E+01 volume 0.33100E+01 ppm1 1.059 ppm2 4.431
OR { 7438}
(segid " " and resid "98 " and name "HG13")
(segid " " and resid "98 " and name "HA ")
OR { 7438}
(segid " " and resid "98 " and name "HG12")
(segid " " and resid "98 " and name "HA ")
ASSI { 6301}
(segid " " and resid "7 " and name "HD13")
(segid " " and resid "8 " and name "HB3 ")
4.400 2.400 1.600 peak 6301 weight 0.10000E+01 volume 0.22800E+00 ppm1 0.534 ppm2 1.733
OR { 6301}
(segid " " and resid "7 " and name "HD11")
(segid " " and resid "8 " and name "HB3 ")
OR { 6301}
(segid " " and resid "7 " and name "HD13")
(segid " " and resid "8 " and name "HB2 ")
OR { 6301}
(segid " " and resid "7 " and name "HD12")
(segid " " and resid "8 " and name "HB3 ")
OR { 6301}
(segid " " and resid "7 " and name "HD11")
(segid " " and resid "8 " and name "HB2 ")
OR { 6301}
(segid " " and resid "7 " and name "HD12")
(segid " " and resid "8 " and name "HB2 ")
ASSI { 7259}
(segid " " and resid "11 " and name "HG2 ")
(segid " " and resid "11 " and name "HD1 ")
2.200 0.600 0.600 peak 7259 weight 0.10000E+01 volume 0.10360E+01 ppm1 1.188 ppm2 2.104
OR { 7259}
(segid " " and resid "11 " and name "HG2 ")
(segid " " and resid "11 " and name "HD2 ")
ASSI { 7079}
(segid " " and resid "12 " and name "HD23")
(segid " " and resid "54 " and name "HD1 ")
2.700 0.900 0.900 peak 7079 weight 0.10000E+01 volume 0.13020E+01 ppm1 0.721 ppm2 1.634
OR { 7079}
(segid " " and resid "12 " and name "HD21")
(segid " " and resid "54 " and name "HD1 ")
OR { 7079}
(segid " " and resid "12 " and name "HD22")
(segid " " and resid "54 " and name "HD1 ")
ASSI { 7419}
(segid " " and resid "12 " and name "HD11")
(segid " " and resid "54 " and name "HD1 ")
2.900 1.100 1.100 peak 7419 weight 0.10000E+01 volume 0.77000E+00 ppm1 0.796 ppm2 1.639
OR { 7419}
(segid " " and resid "12 " and name "HD13")
(segid " " and resid "54 " and name "HD1 ")
OR { 7419}
(segid " " and resid "12 " and name "HD12")
(segid " " and resid "54 " and name "HD1 ")
ASSI { 7126}
(segid " " and resid "39 " and name "HD13")
(segid " " and resid "65 " and name "HA ")
3.900 1.900 1.900 peak 7126 weight 0.10000E+01 volume 0.27800E+00 ppm1 0.974 ppm2 4.668
OR { 7126}
(segid " " and resid "39 " and name "HD12")
(segid " " and resid "65 " and name "HA ")
OR { 7126}
(segid " " and resid "39 " and name "HD11")
(segid " " and resid "65 " and name "HA ")
ASSI { 7082}
(segid " " and resid "12 " and name "HD13")
(segid " " and resid "54 " and name "HE2 ")
5.000 3.100 1.000 peak 7082 weight 0.10000E+01 volume -0.13940E+01 ppm1 0.795 ppm2 2.888
OR { 7082}
(segid " " and resid "12 " and name "HD13")
(segid " " and resid "54 " and name "HE1 ")
OR { 7082}
(segid " " and resid "12 " and name "HD11")
(segid " " and resid "54 " and name "HE2 ")
OR { 7082}
(segid " " and resid "12 " and name "HD12")
(segid " " and resid "54 " and name "HE2 ")
OR { 7082}
(segid " " and resid "12 " and name "HD12")
(segid " " and resid "54 " and name "HE1 ")
ASSI { 7345}
(segid " " and resid "39 " and name "HD12")
(segid " " and resid "76 " and name "HD1 ")
6.000 4.500 0.000 peak 7345 weight 0.10000E+01 volume -0.23700E+00 ppm1 0.971 ppm2 3.160
OR { 7345}
(segid " " and resid "39 " and name "HD12")
(segid " " and resid "76 " and name "HD2 ")
OR { 7345}
(segid " " and resid "39 " and name "HD11")
(segid " " and resid "76 " and name "HD1 ")
OR { 7345}
(segid " " and resid "39 " and name "HD13")
(segid " " and resid "76 " and name "HD1 ")
OR { 7345}
(segid " " and resid "39 " and name "HD13")
(segid " " and resid "76 " and name "HD2 ")
OR { 7345}
(segid " " and resid "39 " and name "HD11")
(segid " " and resid "76 " and name "HD2 ")
ASSI { 6908}
(segid " " and resid "28 " and name "HD21")
(segid " " and resid "86 " and name "HD1 ")
5.000 3.100 1.000 peak 6908 weight 0.10000E+01 volume -0.76300E+00 ppm1 0.781 ppm2 3.198
OR { 6908}
(segid " " and resid "28 " and name "HD21")
(segid " " and resid "86 " and name "HD2 ")
OR { 6908}
(segid " " and resid "28 " and name "HD23")
(segid " " and resid "86 " and name "HD2 ")
OR { 6908}
(segid " " and resid "28 " and name "HD22")
(segid " " and resid "86 " and name "HD2 ")
ASSI { 6671}
(segid " " and resid "28 " and name "HD23")
(segid " " and resid "86 " and name "HA ")
5.000 3.100 1.000 peak 6671 weight 0.10000E+01 volume -0.10130E+01 ppm1 0.779 ppm2 4.762
OR { 6671}
(segid " " and resid "28 " and name "HD21")
(segid " " and resid "86 " and name "HA ")
OR { 6671}
(segid " " and resid "28 " and name "HD22")
(segid " " and resid "86 " and name "HA ")
ASSI { 6453}
(segid " " and resid "91 " and name "HD21")
(segid " " and resid "21 " and name "HA ")
3.900 1.900 1.900 peak 6453 weight 0.10000E+01 volume 0.25900E+00 ppm1 0.771 ppm2 3.535
OR { 6453}
(segid " " and resid "91 " and name "HD23")
(segid " " and resid "21 " and name "HA ")
OR { 6453}
(segid " " and resid "91 " and name "HD22")
(segid " " and resid "21 " and name "HA ")
ASSI { 7062}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "53 " and name "HD11")
2.800 1.000 1.000 peak 7062 weight 0.10000E+01 volume 0.31710E+01 ppm1 1.718 ppm2 0.934
OR { 7062}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "53 " and name "HD12")
OR { 7062}
(segid " " and resid "8 " and name "HB3 ")
(segid " " and resid "53 " and name "HD11")
OR { 7062}
(segid " " and resid "8 " and name "HB3 ")
(segid " " and resid "53 " and name "HD12")
OR { 7062}
(segid " " and resid "8 " and name "HB1 ")
(segid " " and resid "53 " and name "HD12")
ASSI { 5681}
(segid " " and resid "3 " and name "HG2 ")
(segid " " and resid "2 " and name "HA1 ")
6.000 4.500 0.000 peak 5681 weight 0.10000E+01 volume -0.21900E+00 ppm1 1.904 ppm2 4.380
ASSI { 6314}
(segid " " and resid "10 " and name "HG2 ")
(segid " " and resid "10 " and name "HA ")
5.000 3.100 1.000 peak 6314 weight 0.10000E+01 volume -0.61000E+00 ppm1 1.552 ppm2 5.209
ASSI { 6394}
(segid " " and resid "92 " and name "HD1 ")
(segid " " and resid "14 " and name "HB2 ")
2.800 1.000 1.000 peak 6394 weight 0.10000E+01 volume 0.90400E+00 ppm1 1.592 ppm2 1.263
OR { 6394}
(segid " " and resid "92 " and name "HD1 ")
(segid " " and resid "14 " and name "HB1 ")
OR { 6394}
(segid " " and resid "92 " and name "HD1 ")
(segid " " and resid "14 " and name "HB3 ")
ASSI { 6957}
(segid " " and resid "66 " and name "HB2 ")
(segid " " and resid "46 " and name "HG13")
3.000 1.100 1.100 peak 6957 weight 0.10000E+01 volume 0.56300E+00 ppm1 1.908 ppm2 0.696
OR { 6957}
(segid " " and resid "66 " and name "HB2 ")
(segid " " and resid "46 " and name "HG12")
OR { 6957}
(segid " " and resid "66 " and name "HB2 ")
(segid " " and resid "46 " and name "HG11")
ASSI { 7418}
(segid " " and resid "93 " and name "HB1 ")
(segid " " and resid "95 " and name "HD2 ")
2.600 0.800 0.800 peak 7418 weight 0.10000E+01 volume 0.40300E+00 ppm1 2.237 ppm2 1.637
OR { 7418}
(segid " " and resid "93 " and name "HB1 ")
(segid " " and resid "95 " and name "HD1 ")
ASSI { 7415}
(segid " " and resid "93 " and name "HB2 ")
(segid " " and resid "95 " and name "HG2 ")
2.200 0.600 0.600 peak 7415 weight 0.10000E+01 volume 0.10400E+01 ppm1 1.712 ppm2 1.293
ASSI { 6620}
(segid " " and resid "86 " and name "HB1 ")
(segid " " and resid "28 " and name "HD23")
3.000 1.100 1.100 peak 6620 weight 0.10000E+01 volume 0.60300E+00 ppm1 1.825 ppm2 0.780
OR { 6620}
(segid " " and resid "86 " and name "HB1 ")
(segid " " and resid "28 " and name "HD21")
OR { 6620}
(segid " " and resid "86 " and name "HB1 ")
(segid " " and resid "28 " and name "HD22")
ASSI { 6905}
(segid " " and resid "86 " and name "HB1 ")
(segid " " and resid "86 " and name "HD1 ")
2.300 0.700 0.700 peak 6905 weight 0.10000E+01 volume 0.95100E+00 ppm1 1.830 ppm2 3.172
OR { 6905}
(segid " " and resid "86 " and name "HB1 ")
(segid " " and resid "86 " and name "HD2 ")
ASSI { 6423}
(segid " " and resid "17 " and name "HG1 ")
(segid " " and resid "17 " and name "HB1 ")
5.000 3.100 1.000 peak 6423 weight 0.10000E+01 volume -0.17890E+01 ppm1 2.293 ppm2 2.232
OR { 6423}
(segid " " and resid "17 " and name "HG2 ")
(segid " " and resid "17 " and name "HB1 ")
ASSI { 6643}
(segid " " and resid "92 " and name "HB2 ")
(segid " " and resid "92 " and name "HA ")
2.700 0.900 0.900 peak 6643 weight 0.10000E+01 volume 0.67400E+00 ppm1 1.593 ppm2 4.604
ASSI { 7000}
(segid " " and resid "70 " and name "HB1 ")
(segid " " and resid "70 " and name "HE2 ")
6.000 4.500 0.000 peak 7000 weight 0.10000E+01 volume -0.25100E+00 ppm1 3.008 ppm2 6.764
OR { 7000}
(segid " " and resid "70 " and name "HB1 ")
(segid " " and resid "70 " and name "HE1 ")
ASSI { 7385}
(segid " " and resid "92 " and name "HE1 ")
(segid " " and resid "92 " and name "HB2 ")
2.400 0.700 0.700 peak 7385 weight 0.10000E+01 volume 0.69300E+00 ppm1 2.848 ppm2 1.563
OR { 7385}
(segid " " and resid "92 " and name "HE2 ")
(segid " " and resid "92 " and name "HB2 ")
ASSI { 6360}
(segid " " and resid "97 " and name "HB1 ")
(segid " " and resid "12 " and name "HD21")
5.000 3.100 1.000 peak 6360 weight 0.10000E+01 volume -0.92600E+00 ppm1 2.777 ppm2 0.723
OR { 6360}
(segid " " and resid "97 " and name "HB1 ")
(segid " " and resid "12 " and name "HD23")
OR { 6360}
(segid " " and resid "97 " and name "HB1 ")
(segid " " and resid "12 " and name "HD22")
ASSI { 7432}
(segid " " and resid "97 " and name "HB1 ")
(segid " " and resid "97 " and name "HA ")
2.400 0.700 0.700 peak 7432 weight 0.10000E+01 volume 0.13920E+01 ppm1 2.786 ppm2 5.072
ASSI { 6662}
(segid " " and resid "86 " and name "HB1 ")
(segid " " and resid "86 " and name "HA ")
5.000 3.100 1.000 peak 6662 weight 0.10000E+01 volume -0.91400E+00 ppm1 1.828 ppm2 4.750
ASSI { 6612}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "91 " and name "HD23")
3.200 1.300 1.300 peak 6612 weight 0.10000E+01 volume 0.17250E+01 ppm1 6.769 ppm2 0.780
OR { 6612}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "91 " and name "HD22")
OR { 6612}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "91 " and name "HD22")
OR { 6612}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "91 " and name "HD21")
ASSI { 6533}
(segid " " and resid "48 " and name "HD2 ")
(segid " " and resid "24 " and name "HE1 ")
3.800 1.800 1.800 peak 6533 weight 0.10000E+01 volume 0.55600E+00 ppm1 6.910 ppm2 1.843
OR { 6533}
(segid " " and resid "48 " and name "HD2 ")
(segid " " and resid "24 " and name "HE2 ")
OR { 6533}
(segid " " and resid "48 " and name "HD2 ")
(segid " " and resid "24 " and name "HE3 ")
OR { 6533}
(segid " " and resid "48 " and name "HD1 ")
(segid " " and resid "24 " and name "HE1 ")
OR { 6533}
(segid " " and resid "48 " and name "HD1 ")
(segid " " and resid "24 " and name "HE3 ")
ASSI { 841}
(segid " " and resid "37 " and name "HG2 ")
(segid " " and resid "37 " and name "HB1 ")
2.800 1.000 1.000 peak 841 weight 0.10000E+01 volume 0.28400E+00 ppm1 6.925 ppm2 1.838
ASSI { 6618}
(segid " " and resid "24 " and name "HE1 ")
(segid " " and resid "91 " and name "HD22")
3.800 1.800 1.800 peak 6618 weight 0.10000E+01 volume 0.53900E+00 ppm1 1.840 ppm2 0.780
OR { 6618}
(segid " " and resid "24 " and name "HE3 ")
(segid " " and resid "91 " and name "HD22")
OR { 6618}
(segid " " and resid "24 " and name "HE1 ")
(segid " " and resid "91 " and name "HD21")
OR { 6618}
(segid " " and resid "24 " and name "HE2 ")
(segid " " and resid "91 " and name "HD22")
OR { 6618}
(segid " " and resid "24 " and name "HE3 ")
(segid " " and resid "91 " and name "HD21")
OR { 6618}
(segid " " and resid "24 " and name "HE3 ")
(segid " " and resid "91 " and name "HD23")
ASSI { 7261}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "81 " and name "HB1 ")
3.200 1.300 1.300 peak 7261 weight 0.10000E+01 volume 0.42400E+00 ppm1 0.797 ppm2 2.099
OR { 7261}
(segid " " and resid "84 " and name "HG23")
(segid " " and resid "81 " and name "HB1 ")
OR { 7261}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "81 " and name "HB1 ")
ASSI { 6578}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "27 " and name "HA ")
5.000 3.100 1.000 peak 6578 weight 0.10000E+01 volume -0.50200E+00 ppm1 0.697 ppm2 4.561
OR { 6578}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "27 " and name "HA ")
OR { 6578}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "27 " and name "HA ")
ASSI { 6512}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "30 " and name "HA ")
6.000 4.500 0.000 peak 6512 weight 0.10000E+01 volume -0.23600E+00 ppm1 0.698 ppm2 4.822
OR { 6512}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "30 " and name "HA ")
OR { 6512}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "30 " and name "HA ")
ASSI { 6348}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "41 " and name "HG11")
2.700 0.900 0.900 peak 6348 weight 0.10000E+01 volume 0.10970E+01 ppm1 0.694 ppm2 1.476
OR { 6348}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "41 " and name "HG11")
OR { 6348}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "41 " and name "HG11")
ASSI { 6382}
(segid " " and resid "14 " and name "HB1 ")
(segid " " and resid "14 " and name "HA ")
3.300 1.400 1.400 peak 6382 weight 0.10000E+01 volume -0.35510E+01 ppm1 1.250 ppm2 4.534
OR { 6382}
(segid " " and resid "14 " and name "HB2 ")
(segid " " and resid "14 " and name "HA ")
OR { 6382}
(segid " " and resid "14 " and name "HB3 ")
(segid " " and resid "14 " and name "HA ")
ASSI { 6521}
(segid " " and resid "27 " and name "HB1 ")
(segid " " and resid "85 " and name "HB ")
5.000 3.100 1.000 peak 6521 weight 0.10000E+01 volume -0.32400E+00 ppm1 1.395 ppm2 1.797
OR { 6521}
(segid " " and resid "27 " and name "HB2 ")
(segid " " and resid "85 " and name "HB ")
OR { 6521}
(segid " " and resid "27 " and name "HB3 ")
(segid " " and resid "85 " and name "HB ")
ASSI { 6925}
(segid " " and resid "27 " and name "HB1 ")
(segid " " and resid "45 " and name "HB1 ")
3.200 1.300 1.300 peak 6925 weight 0.10000E+01 volume 0.42700E+00 ppm1 1.395 ppm2 2.155
OR { 6925}
(segid " " and resid "27 " and name "HB3 ")
(segid " " and resid "45 " and name "HB1 ")
OR { 6925}
(segid " " and resid "27 " and name "HB2 ")
(segid " " and resid "45 " and name "HB1 ")
ASSI { 6962}
(segid " " and resid "47 " and name "HG11")
(segid " " and resid "47 " and name "HA ")
2.500 0.800 0.800 peak 6962 weight 0.10000E+01 volume 0.37580E+01 ppm1 0.483 ppm2 4.563
OR { 6962}
(segid " " and resid "47 " and name "HG13")
(segid " " and resid "47 " and name "HA ")
OR { 6962}
(segid " " and resid "47 " and name "HG21")
(segid " " and resid "47 " and name "HA ")
OR { 6962}
(segid " " and resid "47 " and name "HG12")
(segid " " and resid "47 " and name "HA ")
ASSI { 7012}
(segid " " and resid "46 " and name "HG12")
(segid " " and resid "48 " and name "HE2 ")
3.700 1.700 1.700 peak 7012 weight 0.10000E+01 volume 0.66900E+00 ppm1 0.697 ppm2 6.765
OR { 7012}
(segid " " and resid "46 " and name "HG11")
(segid " " and resid "48 " and name "HE2 ")
OR { 7012}
(segid " " and resid "46 " and name "HG13")
(segid " " and resid "48 " and name "HE1 ")
ASSI { 6699}
(segid " " and resid "26 " and name "HG11")
(segid " " and resid "24 " and name "HE2 ")
3.800 1.800 1.800 peak 6699 weight 0.10000E+01 volume 0.52300E+00 ppm1 0.871 ppm2 1.856
OR { 6699}
(segid " " and resid "26 " and name "HG13")
(segid " " and resid "24 " and name "HE2 ")
OR { 6699}
(segid " " and resid "26 " and name "HG13")
(segid " " and resid "24 " and name "HE3 ")
OR { 6699}
(segid " " and resid "26 " and name "HG12")
(segid " " and resid "24 " and name "HE3 ")
OR { 6699}
(segid " " and resid "26 " and name "HG11")
(segid " " and resid "24 " and name "HE1 ")
OR { 6699}
(segid " " and resid "26 " and name "HG13")
(segid " " and resid "24 " and name "HE1 ")
ASSI { 6947}
(segid " " and resid "26 " and name "HG11")
(segid " " and resid "46 " and name "HA ")
3.000 1.100 1.100 peak 6947 weight 0.10000E+01 volume 0.11870E+01 ppm1 0.867 ppm2 4.500
OR { 6947}
(segid " " and resid "26 " and name "HG13")
(segid " " and resid "46 " and name "HA ")
OR { 6947}
(segid " " and resid "26 " and name "HG12")
(segid " " and resid "46 " and name "HA ")
ASSI { 6557}
(segid " " and resid "46 " and name "HG23")
(segid " " and resid "26 " and name "HA ")
3.200 1.300 1.300 peak 6557 weight 0.10000E+01 volume 0.91900E+00 ppm1 0.985 ppm2 4.835
OR { 6557}
(segid " " and resid "46 " and name "HG22")
(segid " " and resid "26 " and name "HA ")
OR { 6557}
(segid " " and resid "46 " and name "HG21")
(segid " " and resid "26 " and name "HA ")
ASSI { 7293}
(segid " " and resid "49 " and name "HG21")
(segid " " and resid "87 " and name "HG2 ")
6.000 4.500 0.000 peak 7293 weight 0.10000E+01 volume -0.23800E+00 ppm1 1.119 ppm2 2.165
OR { 7293}
(segid " " and resid "49 " and name "HG23")
(segid " " and resid "87 " and name "HG2 ")
OR { 7293}
(segid " " and resid "49 " and name "HG22")
(segid " " and resid "87 " and name "HG2 ")
ASSI { 6710}
(segid " " and resid "40 " and name "HG22")
(segid " " and resid "32 " and name "HB1 ")
3.000 1.100 1.100 peak 6710 weight 0.10000E+01 volume 0.64100E+00 ppm1 1.231 ppm2 1.724
OR { 6710}
(segid " " and resid "40 " and name "HG21")
(segid " " and resid "32 " and name "HB1 ")
OR { 6710}
(segid " " and resid "40 " and name "HG23")
(segid " " and resid "32 " and name "HB1 ")
OR { 6710}
(segid " " and resid "40 " and name "HG23")
(segid " " and resid "32 " and name "HB2 ")
ASSI { 6698}
(segid " " and resid "46 " and name "HG23")
(segid " " and resid "24 " and name "HE2 ")
3.500 1.500 1.500 peak 6698 weight 0.10000E+01 volume 0.84500E+00 ppm1 0.986 ppm2 1.849
OR { 6698}
(segid " " and resid "46 " and name "HG21")
(segid " " and resid "24 " and name "HE2 ")
OR { 6698}
(segid " " and resid "46 " and name "HG23")
(segid " " and resid "24 " and name "HE1 ")
OR { 6698}
(segid " " and resid "46 " and name "HG21")
(segid " " and resid "24 " and name "HE1 ")
OR { 6698}
(segid " " and resid "46 " and name "HG22")
(segid " " and resid "24 " and name "HE2 ")
OR { 6698}
(segid " " and resid "46 " and name "HG21")
(segid " " and resid "24 " and name "HE3 ")
ASSI { 6700}
(segid " " and resid "91 " and name "HD11")
(segid " " and resid "24 " and name "HE3 ")
3.800 1.800 1.800 peak 6700 weight 0.10000E+01 volume 0.54600E+00 ppm1 0.787 ppm2 1.872
OR { 6700}
(segid " " and resid "91 " and name "HD12")
(segid " " and resid "24 " and name "HE1 ")
OR { 6700}
(segid " " and resid "91 " and name "HD12")
(segid " " and resid "24 " and name "HE3 ")
OR { 6700}
(segid " " and resid "91 " and name "HD13")
(segid " " and resid "24 " and name "HE1 ")
OR { 6700}
(segid " " and resid "91 " and name "HD11")
(segid " " and resid "24 " and name "HE2 ")
OR { 6700}
(segid " " and resid "91 " and name "HD12")
(segid " " and resid "24 " and name "HE2 ")
ASSI { 6651}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "65 " and name "HB ")
3.500 1.500 1.500 peak 6651 weight 0.10000E+01 volume 0.26100E+00 ppm1 0.899 ppm2 2.266
OR { 6651}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "65 " and name "HB ")
OR { 6651}
(segid " " and resid "39 " and name "HD21")
(segid " " and resid "65 " and name "HB ")
ASSI { 6603}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "39 " and name "HG ")
2.300 0.700 0.700 peak 6603 weight 0.10000E+01 volume 0.32410E+01 ppm1 0.897 ppm2 1.572
OR { 6603}
(segid " " and resid "39 " and name "HD21")
(segid " " and resid "39 " and name "HG ")
OR { 6603}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "39 " and name "HG ")
ASSI { 6515}
(segid " " and resid "25 " and name "HB3 ")
(segid " " and resid "85 " and name "HB ")
5.000 3.100 1.000 peak 6515 weight 0.10000E+01 volume -0.18900E+01 ppm1 1.190 ppm2 1.830
OR { 6515}
(segid " " and resid "25 " and name "HB2 ")
(segid " " and resid "85 " and name "HB ")
ASSI { 7292}
(segid " " and resid "25 " and name "HB2 ")
(segid " " and resid "87 " and name "HG2 ")
5.000 3.100 1.000 peak 7292 weight 0.10000E+01 volume -0.65800E+00 ppm1 1.191 ppm2 2.176
OR { 7292}
(segid " " and resid "25 " and name "HB1 ")
(segid " " and resid "87 " and name "HG2 ")
OR { 7292}
(segid " " and resid "25 " and name "HB3 ")
(segid " " and resid "87 " and name "HG2 ")
ASSI { 7400}
(segid " " and resid "95 " and name "HG2 ")
(segid " " and resid "93 " and name "HB1 ")
2.600 0.800 0.800 peak 7400 weight 0.10000E+01 volume 0.41600E+00 ppm1 1.262 ppm2 2.241
OR { 7400}
(segid " " and resid "95 " and name "HG1 ")
(segid " " and resid "93 " and name "HB1 ")
ASSI { 1083}
(segid " " and resid "39 " and name "HD13")
(segid " " and resid "65 " and name "HB ")
3.700 1.700 1.700 peak 1083 weight 0.10000E+01 volume 0.19000E+00 ppm1 0.973 ppm2 2.266
OR { 1083}
(segid " " and resid "39 " and name "HD12")
(segid " " and resid "65 " and name "HB ")
OR { 1083}
(segid " " and resid "39 " and name "HD11")
(segid " " and resid "65 " and name "HB ")
ASSI { 6577}
(segid " " and resid "28 " and name "HD23")
(segid " " and resid "27 " and name "HA ")
5.000 3.100 1.000 peak 6577 weight 0.10000E+01 volume -0.38000E+00 ppm1 0.781 ppm2 4.570
OR { 6577}
(segid " " and resid "28 " and name "HD22")
(segid " " and resid "27 " and name "HA ")
OR { 6577}
(segid " " and resid "28 " and name "HD21")
(segid " " and resid "27 " and name "HA ")
ASSI { 6998}
(segid " " and resid "91 " and name "HD23")
(segid " " and resid "48 " and name "HD1 ")
3.500 1.500 1.500 peak 6998 weight 0.10000E+01 volume 0.97300E+00 ppm1 0.770 ppm2 6.931
OR { 6998}
(segid " " and resid "91 " and name "HD22")
(segid " " and resid "48 " and name "HD1 ")
OR { 6998}
(segid " " and resid "91 " and name "HD21")
(segid " " and resid "48 " and name "HD2 ")
OR { 6998}
(segid " " and resid "91 " and name "HD23")
(segid " " and resid "48 " and name "HD2 ")
ASSI { 4948}
(segid " " and resid "8 " and name "HB2 ")
(segid " " and resid "53 " and name "HA ")
5.000 3.100 1.000 peak 4948 weight 0.10000E+01 volume -0.59200E+00 ppm1 1.718 ppm2 4.381
OR { 4948}
(segid " " and resid "8 " and name "HB3 ")
(segid " " and resid "53 " and name "HA ")
OR { 4948}
(segid " " and resid "8 " and name "HB1 ")
(segid " " and resid "53 " and name "HA ")
ASSI { 7165}
(segid " " and resid "21 " and name "HG2 ")
(segid " " and resid "48 " and name "HE1 ")
3.500 1.500 1.500 peak 7165 weight 0.10000E+01 volume 0.24300E+00 ppm1 1.400 ppm2 6.792
OR { 7165}
(segid " " and resid "21 " and name "HG2 ")
(segid " " and resid "48 " and name "HE2 ")
ASSI { 6801}
(segid " " and resid "34 " and name "HG2 ")
(segid " " and resid "38 " and name "HD2 ")
3.300 1.400 1.400 peak 6801 weight 0.10000E+01 volume 0.38900E+00 ppm1 1.338 ppm2 7.363
OR { 6801}
(segid " " and resid "34 " and name "HG2 ")
(segid " " and resid "38 " and name "HD1 ")
ASSI { 7188}
(segid " " and resid "76 " and name "HG2 ")
(segid " " and resid "76 " and name "HB1 ")
1.700 0.400 0.500 peak 7188 weight 0.10000E+01 volume 0.55390E+01 ppm1 1.547 ppm2 1.786
OR { 7188}
(segid " " and resid "76 " and name "HG2 ")
(segid " " and resid "76 " and name "HB2 ")
OR { 7188}
(segid " " and resid "76 " and name "HG1 ")
(segid " " and resid "76 " and name "HB1 ")
OR { 7188}
(segid " " and resid "76 " and name "HG1 ")
(segid " " and resid "76 " and name "HB2 ")
ASSI { 6629}
(segid " " and resid "91 " and name "HG ")
(segid " " and resid "91 " and name "HD21")
2.400 0.700 0.700 peak 6629 weight 0.10000E+01 volume 0.26300E+01 ppm1 1.447 ppm2 0.770
OR { 6629}
(segid " " and resid "91 " and name "HG ")
(segid " " and resid "91 " and name "HD22")
OR { 6629}
(segid " " and resid "91 " and name "HG ")
(segid " " and resid "91 " and name "HD23")
ASSI { 1125}
(segid " " and resid "5 " and name "HG1 ")
(segid " " and resid "4 " and name "HA ")
5.000 3.100 1.000 peak 1125 weight 0.10000E+01 volume -0.38100E+00 ppm1 1.969 ppm2 5.052
OR { 1125}
(segid " " and resid "5 " and name "HG2 ")
(segid " " and resid "4 " and name "HA ")
ASSI { 6395}
(segid " " and resid "92 " and name "HD2 ")
(segid " " and resid "14 " and name "HB2 ")
2.900 1.100 1.100 peak 6395 weight 0.10000E+01 volume 0.75000E+00 ppm1 1.478 ppm2 1.269
OR { 6395}
(segid " " and resid "92 " and name "HD2 ")
(segid " " and resid "14 " and name "HB1 ")
OR { 6395}
(segid " " and resid "92 " and name "HD2 ")
(segid " " and resid "14 " and name "HB3 ")
ASSI { 6380}
(segid " " and resid "43 " and name "HB1 ")
(segid " " and resid "29 " and name "HA ")
5.000 3.100 1.000 peak 6380 weight 0.10000E+01 volume -0.52900E+00 ppm1 1.682 ppm2 4.533
ASSI { 6585}
(segid " " and resid "45 " and name "HB2 ")
(segid " " and resid "27 " and name "HB1 ")
3.100 1.200 1.200 peak 6585 weight 0.10000E+01 volume 0.49600E+00 ppm1 1.958 ppm2 1.368
OR { 6585}
(segid " " and resid "45 " and name "HB2 ")
(segid " " and resid "27 " and name "HB3 ")
OR { 6585}
(segid " " and resid "45 " and name "HB2 ")
(segid " " and resid "27 " and name "HB2 ")
ASSI { 7465}
(segid " " and resid "21 " and name "HB2 ")
(segid " " and resid "50 " and name "HA ")
3.200 1.300 1.300 peak 7465 weight 0.10000E+01 volume 0.23400E+00 ppm1 1.000 ppm2 4.489
ASSI { 7383}
(segid " " and resid "89 " and name "HB1 ")
(segid " " and resid "91 " and name "HD12")
2.800 1.000 1.000 peak 7383 weight 0.10000E+01 volume 0.10140E+01 ppm1 1.924 ppm2 0.789
OR { 7383}
(segid " " and resid "89 " and name "HB1 ")
(segid " " and resid "91 " and name "HD11")
OR { 7383}
(segid " " and resid "89 " and name "HB2 ")
(segid " " and resid "91 " and name "HD12")
ASSI { 6361}
(segid " " and resid "102 " and name "HB1 ")
(segid " " and resid "102 " and name "HG1 ")
2.400 0.700 0.700 peak 6361 weight 0.10000E+01 volume 0.66700E+00 ppm1 1.608 ppm2 0.723
ASSI { 7006}
(segid " " and resid "24 " and name "HG2 ")
(segid " " and resid "48 " and name "HE2 ")
3.200 1.300 1.300 peak 7006 weight 0.10000E+01 volume 0.42200E+00 ppm1 2.016 ppm2 6.774
OR { 7006}
(segid " " and resid "24 " and name "HG2 ")
(segid " " and resid "48 " and name "HE1 ")
ASSI { 1113}
(segid " " and resid "3 " and name "HB1 ")
(segid " " and resid "3 " and name "HD2 ")
5.000 3.100 1.000 peak 1113 weight 0.10000E+01 volume -0.54900E+00 ppm1 2.096 ppm2 3.449
ASSI { 7289}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "84 " and name "HB ")
5.000 3.100 1.000 peak 7289 weight 0.10000E+01 volume -0.54200E+00 ppm1 2.231 ppm2 2.098
OR { 7289}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "84 " and name "HB ")
ASSI { 7382}
(segid " " and resid "89 " and name "HG2 ")
(segid " " and resid "91 " and name "HD12")
5.000 3.100 1.000 peak 7382 weight 0.10000E+01 volume -0.70200E+00 ppm1 2.250 ppm2 0.789
OR { 7382}
(segid " " and resid "89 " and name "HG1 ")
(segid " " and resid "91 " and name "HD12")
OR { 7382}
(segid " " and resid "89 " and name "HG2 ")
(segid " " and resid "91 " and name "HD13")
OR { 7382}
(segid " " and resid "89 " and name "HG1 ")
(segid " " and resid "91 " and name "HD11")
OR { 7382}
(segid " " and resid "89 " and name "HG1 ")
(segid " " and resid "91 " and name "HD13")
ASSI { 6211}
(segid " " and resid "4 " and name "HG2 ")
(segid " " and resid "4 " and name "HE1 ")
5.000 3.100 1.000 peak 6211 weight 0.10000E+01 volume -0.40200E+00 ppm1 2.518 ppm2 2.130
OR { 6211}
(segid " " and resid "4 " and name "HG2 ")
(segid " " and resid "4 " and name "HE2 ")
OR { 6211}
(segid " " and resid "4 " and name "HG2 ")
(segid " " and resid "4 " and name "HE3 ")
ASSI { 7027}
(segid " " and resid "22 " and name "HB ")
(segid " " and resid "49 " and name "HG13")
5.000 3.100 1.000 peak 7027 weight 0.10000E+01 volume -0.41700E+00 ppm1 1.266 ppm2 0.691
OR { 7027}
(segid " " and resid "22 " and name "HB ")
(segid " " and resid "49 " and name "HG11")
OR { 7027}
(segid " " and resid "22 " and name "HB ")
(segid " " and resid "49 " and name "HG12")
ASSI { 5544}
(segid " " and resid "92 " and name "HE1 ")
(segid " " and resid "92 " and name "HA ")
2.800 1.000 1.000 peak 5544 weight 0.10000E+01 volume 0.56400E+00 ppm1 2.848 ppm2 4.624
OR { 5544}
(segid " " and resid "92 " and name "HE2 ")
(segid " " and resid "92 " and name "HA ")
ASSI { 6377}
(segid " " and resid "35 " and name "HB2 ")
(segid " " and resid "35 " and name "HA ")
2.400 0.700 0.700 peak 6377 weight 0.10000E+01 volume 0.14310E+01 ppm1 3.041 ppm2 4.575
OR { 6377}
(segid " " and resid "35 " and name "HB1 ")
(segid " " and resid "35 " and name "HA ")
ASSI { 7355}
(segid " " and resid "88 " and name "HB2 ")
(segid " " and resid "88 " and name "HA ")
2.200 0.600 0.600 peak 7355 weight 0.10000E+01 volume 0.23660E+01 ppm1 2.578 ppm2 4.950
ASSI { 7354}
(segid " " and resid "88 " and name "HB1 ")
(segid " " and resid "88 " and name "HA ")
2.200 0.600 0.600 peak 7354 weight 0.10000E+01 volume 0.25400E+01 ppm1 2.678 ppm2 4.950
OR { 7354}
(segid " " and resid "88 " and name "HB2 ")
(segid " " and resid "88 " and name "HA ")
ASSI { 6319}
(segid " " and resid "10 " and name "HD2 ")
(segid " " and resid "10 " and name "HB2 ")
2.400 0.700 0.700 peak 6319 weight 0.10000E+01 volume 0.67300E+00 ppm1 3.099 ppm2 1.567
ASSI { 6637}
(segid " " and resid "43 " and name "HD1 ")
(segid " " and resid "29 " and name "HA ")
2.400 0.700 0.700 peak 6637 weight 0.10000E+01 volume 0.11970E+01 ppm1 3.206 ppm2 4.546
OR { 6637}
(segid " " and resid "43 " and name "HD2 ")
(segid " " and resid "29 " and name "HA ")
ASSI { 6378}
(segid " " and resid "94 " and name "HA2 ")
(segid " " and resid "14 " and name "HA ")
3.200 1.300 1.300 peak 6378 weight 0.10000E+01 volume 0.47300E+00 ppm1 3.056 ppm2 4.539
ASSI { 6784}
(segid " " and resid "13 " and name "HB2 ")
(segid " " and resid "18 " and name "HA ")
2.800 1.000 1.000 peak 6784 weight 0.10000E+01 volume 0.56600E+00 ppm1 3.373 ppm2 4.737
ASSI { 6782}
(segid " " and resid "13 " and name "HB1 ")
(segid " " and resid "18 " and name "HA ")
2.900 1.100 1.100 peak 6782 weight 0.10000E+01 volume 0.46200E+00 ppm1 4.092 ppm2 4.739
ASSI { 6225}
(segid " " and resid "5 " and name "HD2 ")
(segid " " and resid "5 " and name "HG2 ")
5.000 3.100 1.000 peak 6225 weight 0.10000E+01 volume -0.70000E+00 ppm1 3.280 ppm2 1.877
ASSI { 6674}
(segid " " and resid "64 " and name "HA ")
(segid " " and resid "77 " and name "HA ")
3.500 1.500 1.500 peak 6674 weight 0.10000E+01 volume 0.28500E+00 ppm1 5.222 ppm2 4.687
ASSI { 6420}
(segid " " and resid "19 " and name "HB2 ")
(segid " " and resid "17 " and name "HB1 ")
2.600 0.800 0.800 peak 6420 weight 0.10000E+01 volume 0.37900E+00 ppm1 3.774 ppm2 2.204
ASSI { 6659}
(segid " " and resid "64 " and name "HB2 ")
(segid " " and resid "77 " and name "HA ")
5.000 3.100 1.000 peak 6659 weight 0.10000E+01 volume -0.50800E+00 ppm1 3.801 ppm2 4.706
OR { 6659}
(segid " " and resid "64 " and name "HB1 ")
(segid " " and resid "77 " and name "HA ")
ASSI { 7487}
(segid " " and resid "103 " and name "HZ2 ")
(segid " " and resid "102 " and name "HD1 ")
3.100 1.200 1.200 peak 7487 weight 0.10000E+01 volume 0.50300E+00 ppm1 7.336 ppm2 1.247
OR { 7487}
(segid " " and resid "103 " and name "HZ2 ")
(segid " " and resid "102 " and name "HD2 ")
ASSI { 7225}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "80 " and name "HB1 ")
6.000 4.500 0.000 peak 7225 weight 0.10000E+01 volume -0.29300E+00 ppm1 6.919 ppm2 3.470
ASSI { 6984}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "48 " and name "HA ")
5.000 3.100 1.000 peak 6984 weight 0.10000E+01 volume -0.59600E+00 ppm1 6.773 ppm2 4.899
OR { 6984}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "48 " and name "HA ")
ASSI { 5676}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "2 " and name "HA1 ")
5.000 3.100 1.000 peak 5676 weight 0.10000E+01 volume -0.58300E+00 ppm1 6.687 ppm2 4.381
ASSI { 7207}
(segid " " and resid "79 " and name "HE2 ")
(segid " " and resid "79 " and name "HA ")
5.000 3.100 1.000 peak 7207 weight 0.10000E+01 volume -0.43200E+00 ppm1 6.657 ppm2 5.808
OR { 7207}
(segid " " and resid "79 " and name "HE1 ")
(segid " " and resid "79 " and name "HA ")
ASSI { 826}
(segid " " and resid "106 " and name "HE2 ")
(segid " " and resid "3 " and name "HB1 ")
2.800 1.000 1.000 peak 826 weight 0.10000E+01 volume 0.96000E+00 ppm1 6.682 ppm2 2.105
ASSI { 7021}
(segid " " and resid "61 " and name "HD1 ")
(segid " " and resid "49 " and name "HG11")
4.200 2.200 1.800 peak 7021 weight 0.10000E+01 volume 0.31800E+00 ppm1 7.555 ppm2 0.691
OR { 7021}
(segid " " and resid "61 " and name "HD1 ")
(segid " " and resid "49 " and name "HG12")
OR { 7021}
(segid " " and resid "61 " and name "HD1 ")
(segid " " and resid "49 " and name "HG13")
ASSI { 3702}
(segid " " and resid "103 " and name "HH2 ")
(segid " " and resid "102 " and name "HE2 ")
5.000 3.100 1.000 peak 3702 weight 0.10000E+01 volume -0.40400E+00 ppm1 6.987 ppm2 2.347
OR { 3702}
(segid " " and resid "103 " and name "HH2 ")
(segid " " and resid "102 " and name "HE1 ")
ASSI { 7335}
(segid " " and resid "61 " and name "HH2 ")
(segid " " and resid "85 " and name "HG21")
3.900 1.900 1.900 peak 7335 weight 0.10000E+01 volume 0.49300E+00 ppm1 7.140 ppm2 0.851
OR { 7335}
(segid " " and resid "61 " and name "HH2 ")
(segid " " and resid "85 " and name "HG23")
OR { 7335}
(segid " " and resid "61 " and name "HH2 ")
(segid " " and resid "85 " and name "HG22")
ASSI { 4055}
(segid " " and resid "38 " and name "HZ ")
(segid " " and resid "38 " and name "HD1 ")
3.700 1.700 1.700 peak 4055 weight 0.10000E+01 volume 0.66300E+00 ppm1 6.571 ppm2 7.365
OR { 4055}
(segid " " and resid "38 " and name "HZ ")
(segid " " and resid "38 " and name "HD2 ")
ASSI { 7023}
(segid " " and resid "80 " and name "HE1 ")
(segid " " and resid "49 " and name "HG11")
3.900 1.900 1.900 peak 7023 weight 0.10000E+01 volume 0.47500E+00 ppm1 6.970 ppm2 0.691
OR { 7023}
(segid " " and resid "80 " and name "HE1 ")
(segid " " and resid "49 " and name "HG12")
OR { 7023}
(segid " " and resid "80 " and name "HE2 ")
(segid " " and resid "49 " and name "HG12")
OR { 7023}
(segid " " and resid "80 " and name "HE1 ")
(segid " " and resid "49 " and name "HG13")
ASSI { 7114}
(segid " " and resid "60 " and name "HD1 ")
(segid " " and resid "81 " and name "HA ")
3.300 1.400 1.400 peak 7114 weight 0.10000E+01 volume 0.74300E+00 ppm1 7.022 ppm2 4.634
OR { 7114}
(segid " " and resid "60 " and name "HD2 ")
(segid " " and resid "81 " and name "HA ")
ASSI { 7197}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "77 " and name "HD23")
3.500 1.500 1.500 peak 7197 weight 0.10000E+01 volume 0.87500E+00 ppm1 7.127 ppm2 0.318
OR { 7197}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "77 " and name "HD23")
OR { 7197}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "77 " and name "HD22")
OR { 7197}
(segid " " and resid "50 " and name "HD1 ")
(segid " " and resid "77 " and name "HD21")
OR { 7197}
(segid " " and resid "50 " and name "HD2 ")
(segid " " and resid "77 " and name "HD22")
ASSI { 6818}
(segid " " and resid "80 " and name "HD2 ")
(segid " " and resid "39 " and name "HD11")
3.200 1.300 1.300 peak 6818 weight 0.10000E+01 volume 0.15910E+01 ppm1 6.922 ppm2 0.973
OR { 6818}
(segid " " and resid "80 " and name "HD2 ")
(segid " " and resid "39 " and name "HD13")
OR { 6818}
(segid " " and resid "80 " and name "HD2 ")
(segid " " and resid "39 " and name "HD12")
ASSI { 7277}
(segid " " and resid "80 " and name "HD1 ")
(segid " " and resid "82 " and name "HA ")
3.600 1.600 1.600 peak 7277 weight 0.10000E+01 volume 0.44100E+00 ppm1 6.924 ppm2 2.880
ASSI { 6844}
(segid " " and resid "31 " and name "HD1 ")
(segid " " and resid "41 " and name "HB ")
5.000 3.100 1.000 peak 6844 weight 0.10000E+01 volume -0.73200E+00 ppm1 7.389 ppm2 1.486
OR { 6844}
(segid " " and resid "31 " and name "HD2 ")
(segid " " and resid "41 " and name "HB ")
ASSI { 7617}
(segid " " and resid "51 " and name "HB2 ")
(segid " " and resid "52 " and name "HG2 ")
3.600 1.600 1.600 peak 7617 weight 0.10000E+01 volume 0.60000E-01 ppm1 6.275 ppm2 -0.809
ASSI { 6535}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "24 " and name "HE1 ")
3.400 1.400 1.400 peak 6535 weight 0.10000E+01 volume 0.11730E+01 ppm1 6.771 ppm2 1.843
OR { 6535}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "24 " and name "HE2 ")
OR { 6535}
(segid " " and resid "48 " and name "HE2 ")
(segid " " and resid "24 " and name "HE3 ")
OR { 6535}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "24 " and name "HE1 ")
OR { 6535}
(segid " " and resid "48 " and name "HE1 ")
(segid " " and resid "24 " and name "HE2 ")
ASSI { 7266}
(segid " " and resid "31 " and name "HE2 ")
(segid " " and resid "81 " and name "HG2 ")
2.900 1.100 1.100 peak 7266 weight 0.10000E+01 volume 0.78400E+00 ppm1 6.929 ppm2 1.921
ASSI { 7500}
(segid " " and resid "103 " and name "HZ3 ")
(segid " " and resid "103 " and name "HZ2 ")
3.900 1.900 1.900 peak 7500 weight 0.10000E+01 volume 0.47600E+00 ppm1 6.291 ppm2 7.351
ASSI { 6347}
(segid " " and resid "80 " and name "HD1 ")
(segid " " and resid "84 " and name "HG12")
3.200 1.300 1.300 peak 6347 weight 0.10000E+01 volume 0.46800E+00 ppm1 6.924 ppm2 1.186
ASSI { 7528}
(segid " " and resid "80 " and name "HZ ")
(segid " " and resid "80 " and name "HD2 ")
3.700 1.700 1.700 peak 7528 weight 0.10000E+01 volume 0.72100E+00 ppm1 7.143 ppm2 6.938
OR { 7528}
(segid " " and resid "80 " and name "HZ ")
(segid " " and resid "80 " and name "HD1 ")
ASSI { 4151}
(segid " " and resid "80 " and name "HD2 ")
(segid " " and resid "80 " and name "HE2 ")
2.900 1.100 1.100 peak 4151 weight 0.10000E+01 volume 0.28600E+01 ppm1 6.922 ppm2 6.956
OR { 4151}
(segid " " and resid "80 " and name "HD1 ")
(segid " " and resid "80 " and name "HE1 ")
ASSI { 4164}
(segid " " and resid "103 " and name "HZ2 ")
(segid " " and resid "103 " and name "HH2 ")
2.700 0.900 0.900 peak 4164 weight 0.10000E+01 volume 0.42050E+01 ppm1 7.343 ppm2 6.963
ASSI { 4094}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "38 " and name "HA ")
6.000 4.500 0.000 peak 4094 weight 0.10000E+01 volume -0.26500E+00 ppm1 6.927 ppm2 5.409
ASSI { 7311}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "84 " and name "HD13")
3.800 1.800 1.800 peak 7311 weight 0.10000E+01 volume 0.58900E+00 ppm1 6.925 ppm2 0.671
OR { 7311}
(segid " " and resid "31 " and name "HE2 ")
(segid " " and resid "84 " and name "HD13")
OR { 7311}
(segid " " and resid "31 " and name "HE2 ")
(segid " " and resid "84 " and name "HD11")
OR { 7311}
(segid " " and resid "31 " and name "HE1 ")
(segid " " and resid "84 " and name "HD11")
OR { 7311}
(segid " " and resid "31 " and name "HE2 ")
(segid " " and resid "84 " and name "HD12")
ASSI { 3812}
(segid " " and resid "20 " and name "HD2 ")
(segid " " and resid "20 " and name "HB2 ")
3.100 1.200 1.200 peak 3812 weight 0.10000E+01 volume 0.52900E+00 ppm1 7.302 ppm2 2.738
ASSI { 3814}
(segid " " and resid "20 " and name "HD2 ")
(segid " " and resid "20 " and name "HB1 ")
3.400 1.400 1.400 peak 3814 weight 0.10000E+01 volume 0.28300E+00 ppm1 7.307 ppm2 3.311
ASSI { 4168}
(segid " " and resid "103 " and name "HE3 ")
(segid " " and resid "103 " and name "HZ3 ")
3.200 1.300 1.300 peak 4168 weight 0.10000E+01 volume 0.15300E+01 ppm1 7.051 ppm2 6.293
ASSI { 7497}
(segid " " and resid "103 " and name "HE3 ")
(segid " " and resid "103 " and name "HB2 ")
3.000 1.100 1.100 peak 7497 weight 0.10000E+01 volume 0.66600E+00 ppm1 7.057 ppm2 3.275
ASSI { 7496}
(segid " " and resid "103 " and name "HD1 ")
(segid " " and resid "103 " and name "HB2 ")
2.600 0.800 0.800 peak 7496 weight 0.10000E+01 volume 0.13730E+01 ppm1 7.109 ppm2 3.275
ASSI { 7539}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "7 " and name "HD23")
3.900 1.900 1.900 peak 7539 weight 0.10000E+01 volume 0.51300E+00 ppm1 6.907 ppm2 -0.063
OR { 7539}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "7 " and name "HD21")
OR { 7539}
(segid " " and resid "105 " and name "HE2 ")
(segid " " and resid "7 " and name "HD22")
ASSI { 7334}
(segid " " and resid "80 " and name "HZ ")
(segid " " and resid "85 " and name "HG23")
3.800 1.800 1.800 peak 7334 weight 0.10000E+01 volume 0.56900E+00 ppm1 7.153 ppm2 0.850
OR { 7334}
(segid " " and resid "80 " and name "HZ ")
(segid " " and resid "85 " and name "HG21")
OR { 7334}
(segid " " and resid "80 " and name "HZ ")
(segid " " and resid "85 " and name "HG22")
ASSI { 7526}
(segid " " and resid "80 " and name "HZ ")
(segid " " and resid "80 " and name "HE1 ")
3.300 1.400 1.400 peak 7526 weight 0.10000E+01 volume 0.14040E+01 ppm1 7.135 ppm2 6.968
OR { 7526}
(segid " " and resid "80 " and name "HZ ")
(segid " " and resid "80 " and name "HE2 ")
ASSI { 1161}
(segid " " and resid "38 " and name "HZ ")
(segid " " and resid "38 " and name "HE1 ")
3.100 1.200 1.200 peak 1161 weight 0.10000E+01 volume 0.20080E+01 ppm1 6.568 ppm2 6.855
OR { 1161}
(segid " " and resid "38 " and name "HZ ")
(segid " " and resid "38 " and name "HE2 ")
ASSI { 6863}
(segid " " and resid "80 " and name "HE2 ")
(segid " " and resid "41 " and name "HD12")
3.900 1.900 1.900 peak 6863 weight 0.10000E+01 volume 0.45500E+00 ppm1 6.965 ppm2 0.292
OR { 6863}
(segid " " and resid "80 " and name "HE2 ")
(segid " " and resid "41 " and name "HD13")
OR { 6863}
(segid " " and resid "80 " and name "HE1 ")
(segid " " and resid "41 " and name "HD13")
OR { 6863}
(segid " " and resid "80 " and name "HE2 ")
(segid " " and resid "41 " and name "HD11")
ASSI { 7336}
(segid " " and resid "80 " and name "HE1 ")
(segid " " and resid "85 " and name "HG23")
3.100 1.200 1.200 peak 7336 weight 0.10000E+01 volume 0.18780E+01 ppm1 6.963 ppm2 0.850
OR { 7336}
(segid " " and resid "80 " and name "HE1 ")
(segid " " and resid "85 " and name "HG21")
ASSI { 6817}
(segid " " and resid "80 " and name "HE2 ")
(segid " " and resid "39 " and name "HD11")
3.600 1.600 1.600 peak 6817 weight 0.10000E+01 volume 0.74300E+00 ppm1 6.963 ppm2 0.973
OR { 6817}
(segid " " and resid "80 " and name "HE2 ")
(segid " " and resid "39 " and name "HD13")
OR { 6817}
(segid " " and resid "80 " and name "HE2 ")
(segid " " and resid "39 " and name "HD12")
ASSI { 7537}
(segid " " and resid "60 " and name "HZ ")
(segid " " and resid "7 " and name "HD11")
3.900 1.900 1.900 peak 7537 weight 0.10000E+01 volume 0.46700E+00 ppm1 7.342 ppm2 0.552
OR { 7537}
(segid " " and resid "60 " and name "HZ ")
(segid " " and resid "7 " and name "HD12")
OR { 7537}
(segid " " and resid "60 " and name "HZ ")
(segid " " and resid "7 " and name "HD13")
ASSI { 4112}
(segid " " and resid "60 " and name "HE2 ")
(segid " " and resid "60 " and name "HD2 ")
3.300 1.400 1.400 peak 4112 weight 0.10000E+01 volume 0.14780E+01 ppm1 7.406 ppm2 7.019
OR { 4112}
(segid " " and resid "60 " and name "HE1 ")
(segid " " and resid "60 " and name "HD1 ")
ASSI { 6843}
(segid " " and resid "41 " and name "HD11")
(segid " " and resid "41 " and name "HA ")
3.300 1.400 1.400 peak 6843 weight 0.10000E+01 volume 0.77300E+00 ppm1 0.285 ppm2 4.401
OR { 6843}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "41 " and name "HA ")
OR { 6843}
(segid " " and resid "41 " and name "HD12")
(segid " " and resid "41 " and name "HA ")
ASSI { 6965}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "47 " and name "HB ")
6.000 4.500 0.000 peak 6965 weight 0.10000E+01 volume -0.26700E+00 ppm1 0.293 ppm2 1.540
OR { 6965}
(segid " " and resid "41 " and name "HD12")
(segid " " and resid "47 " and name "HB ")
OR { 6965}
(segid " " and resid "41 " and name "HD11")
(segid " " and resid "47 " and name "HB ")
ASSI { 7264}
(segid " " and resid "31 " and name "HD2 ")
(segid " " and resid "81 " and name "HG2 ")
5.700 4.100 0.300 peak 7264 weight 0.10000E+01 volume 0.14000E-01 ppm1 7.389 ppm2 1.928
OR { 7264}
(segid " " and resid "31 " and name "HD2 ")
(segid " " and resid "81 " and name "HG1 ")
ASSI { 6383}
(segid " " and resid "22 " and name "HD13")
(segid " " and resid "14 " and name "HA ")
5.000 3.100 1.000 peak 6383 weight 0.10000E+01 volume -0.31400E+00 ppm1 0.520 ppm2 4.521
OR { 6383}
(segid " " and resid "22 " and name "HD12")
(segid " " and resid "14 " and name "HA ")
OR { 6383}
(segid " " and resid "22 " and name "HD11")
(segid " " and resid "14 " and name "HA ")
ASSI { 6398}
(segid " " and resid "22 " and name "HD12")
(segid " " and resid "14 " and name "HB1 ")
3.400 1.400 1.400 peak 6398 weight 0.10000E+01 volume 0.10680E+01 ppm1 0.516 ppm2 1.268
OR { 6398}
(segid " " and resid "22 " and name "HD13")
(segid " " and resid "14 " and name "HB1 ")
OR { 6398}
(segid " " and resid "22 " and name "HD13")
(segid " " and resid "14 " and name "HB3 ")
OR { 6398}
(segid " " and resid "22 " and name "HD11")
(segid " " and resid "14 " and name "HB3 ")
OR { 6398}
(segid " " and resid "22 " and name "HD12")
(segid " " and resid "14 " and name "HB2 ")
OR { 6398}
(segid " " and resid "22 " and name "HD13")
(segid " " and resid "14 " and name "HB2 ")
ASSI { 7268}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "81 " and name "HG2 ")
3.000 1.100 1.100 peak 7268 weight 0.10000E+01 volume 0.62600E+00 ppm1 0.671 ppm2 1.917
OR { 7268}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "81 " and name "HG1 ")
OR { 7268}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "81 " and name "HG2 ")
OR { 7268}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "81 " and name "HG2 ")
ASSI { 6396}
(segid " " and resid "22 " and name "HG22")
(segid " " and resid "14 " and name "HB1 ")
3.500 1.500 1.500 peak 6396 weight 0.10000E+01 volume 0.95200E+00 ppm1 0.782 ppm2 1.263
OR { 6396}
(segid " " and resid "22 " and name "HG21")
(segid " " and resid "14 " and name "HB1 ")
OR { 6396}
(segid " " and resid "22 " and name "HG22")
(segid " " and resid "14 " and name "HB3 ")
OR { 6396}
(segid " " and resid "22 " and name "HG22")
(segid " " and resid "14 " and name "HB2 ")
OR { 6396}
(segid " " and resid "22 " and name "HG21")
(segid " " and resid "14 " and name "HB3 ")
OR { 6396}
(segid " " and resid "22 " and name "HG21")
(segid " " and resid "14 " and name "HB2 ")
ASSI { 6443}
(segid " " and resid "22 " and name "HG23")
(segid " " and resid "23 " and name "HB2 ")
2.700 0.900 0.900 peak 6443 weight 0.10000E+01 volume 0.12120E+01 ppm1 0.782 ppm2 3.790
OR { 6443}
(segid " " and resid "22 " and name "HG23")
(segid " " and resid "23 " and name "HB1 ")
OR { 6443}
(segid " " and resid "22 " and name "HG22")
(segid " " and resid "23 " and name "HB2 ")
OR { 6443}
(segid " " and resid "22 " and name "HG22")
(segid " " and resid "23 " and name "HB1 ")
ASSI { 5674}
(segid " " and resid "1 " and name "HE3 ")
(segid " " and resid "1 " and name "HG1 ")
3.100 1.200 1.200 peak 5674 weight 0.10000E+01 volume 0.54400E+00 ppm1 2.140 ppm2 2.640
OR { 5674}
(segid " " and resid "1 " and name "HE1 ")
(segid " " and resid "1 " and name "HG1 ")
OR { 5674}
(segid " " and resid "1 " and name "HE2 ")
(segid " " and resid "1 " and name "HG1 ")
OR { 5674}
(segid " " and resid "1 " and name "HE3 ")
(segid " " and resid "1 " and name "HG2 ")
OR { 5674}
(segid " " and resid "1 " and name "HE1 ")
(segid " " and resid "1 " and name "HG2 ")
ASSI { 6739}
(segid " " and resid "32 " and name "HE3 ")
(segid " " and resid "32 " and name "HB1 ")
2.900 1.100 1.100 peak 6739 weight 0.10000E+01 volume 0.68900E+00 ppm1 1.967 ppm2 1.728
OR { 6739}
(segid " " and resid "32 " and name "HE2 ")
(segid " " and resid "32 " and name "HB1 ")
OR { 6739}
(segid " " and resid "32 " and name "HE3 ")
(segid " " and resid "32 " and name "HB2 ")
OR { 6739}
(segid " " and resid "32 " and name "HE1 ")
(segid " " and resid "32 " and name "HB2 ")
OR { 6739}
(segid " " and resid "32 " and name "HE2 ")
(segid " " and resid "32 " and name "HB2 ")
ASSI { 1124}
(segid " " and resid "4 " and name "HE2 ")
(segid " " and resid "4 " and name "HA ")
5.000 3.100 1.000 peak 1124 weight 0.10000E+01 volume -0.72300E+00 ppm1 2.113 ppm2 5.052
OR { 1124}
(segid " " and resid "4 " and name "HE1 ")
(segid " " and resid "4 " and name "HA ")
OR { 1124}
(segid " " and resid "4 " and name "HE3 ")
(segid " " and resid "4 " and name "HA ")
ASSI { 1157}
(segid " " and resid "4 " and name "HE1 ")
(segid " " and resid "4 " and name "HB1 ")
3.000 1.100 1.100 peak 1157 weight 0.10000E+01 volume 0.56700E+00 ppm1 2.112 ppm2 1.957
OR { 1157}
(segid " " and resid "4 " and name "HE2 ")
(segid " " and resid "4 " and name "HB1 ")
OR { 1157}
(segid " " and resid "4 " and name "HE3 ")
(segid " " and resid "4 " and name "HB1 ")
ASSI { 6230}
(segid " " and resid "4 " and name "HE2 ")
(segid " " and resid "5 " and name "HD2 ")
5.000 3.100 1.000 peak 6230 weight 0.10000E+01 volume -0.76600E+00 ppm1 2.119 ppm2 3.279
OR { 6230}
(segid " " and resid "4 " and name "HE1 ")
(segid " " and resid "5 " and name "HD2 ")
OR { 6230}
(segid " " and resid "4 " and name "HE3 ")
(segid " " and resid "5 " and name "HD2 ")
ASSI { 6652}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "29 " and name "HG1 ")
2.600 0.800 0.800 peak 6652 weight 0.10000E+01 volume 0.15220E+01 ppm1 0.796 ppm2 2.254
OR { 6652}
(segid " " and resid "84 " and name "HG23")
(segid " " and resid "29 " and name "HG2 ")
OR { 6652}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "29 " and name "HG2 ")
ASSI { 7267}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "81 " and name "HG2 ")
2.800 1.000 1.000 peak 7267 weight 0.10000E+01 volume 0.85000E+00 ppm1 0.792 ppm2 1.921
OR { 7267}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "81 " and name "HG2 ")
ASSI { 6670}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "86 " and name "HA ")
6.000 4.500 0.000 peak 6670 weight 0.10000E+01 volume -0.23300E+00 ppm1 0.856 ppm2 4.744
OR { 6670}
(segid " " and resid "85 " and name "HG22")
(segid " " and resid "86 " and name "HA ")
OR { 6670}
(segid " " and resid "85 " and name "HG23")
(segid " " and resid "86 " and name "HA ")
ASSI { 6881}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "42 " and name "HA ")
6.000 4.500 0.000 peak 6881 weight 0.10000E+01 volume -0.26500E+00 ppm1 0.696 ppm2 5.271
OR { 6881}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "42 " and name "HA ")
OR { 6881}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "42 " and name "HA ")
ASSI { 6932}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "45 " and name "HB2 ")
3.000 1.100 1.100 peak 6932 weight 0.10000E+01 volume 0.64300E+00 ppm1 0.697 ppm2 1.947
OR { 6932}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "45 " and name "HB2 ")
OR { 6932}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "45 " and name "HB2 ")
ASSI { 6924}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "45 " and name "HA ")
6.000 4.500 0.000 peak 6924 weight 0.10000E+01 volume -0.28300E+00 ppm1 0.695 ppm2 4.260
OR { 6924}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "45 " and name "HA ")
OR { 6924}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "45 " and name "HA ")
ASSI { 6927}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "45 " and name "HB1 ")
2.700 0.900 0.900 peak 6927 weight 0.10000E+01 volume 0.11230E+01 ppm1 0.694 ppm2 2.127
OR { 6927}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "45 " and name "HB1 ")
OR { 6927}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "45 " and name "HB1 ")
ASSI { 6677}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "31 " and name "HB2 ")
5.000 3.100 1.000 peak 6677 weight 0.10000E+01 volume -0.33000E+00 ppm1 0.701 ppm2 2.865
OR { 6677}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "31 " and name "HB2 ")
OR { 6677}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "31 " and name "HB2 ")
ASSI { 6575}
(segid " " and resid "85 " and name "HG22")
(segid " " and resid "27 " and name "HA ")
5.000 3.100 1.000 peak 6575 weight 0.10000E+01 volume -0.50300E+00 ppm1 0.847 ppm2 4.561
OR { 6575}
(segid " " and resid "85 " and name "HG23")
(segid " " and resid "27 " and name "HA ")
OR { 6575}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "27 " and name "HA ")
ASSI { 6522}
(segid " " and resid "14 " and name "HB1 ")
(segid " " and resid "92 " and name "HB1 ")
5.000 3.100 1.000 peak 6522 weight 0.10000E+01 volume -0.18210E+01 ppm1 1.254 ppm2 1.797
OR { 6522}
(segid " " and resid "14 " and name "HB2 ")
(segid " " and resid "92 " and name "HB1 ")
OR { 6522}
(segid " " and resid "14 " and name "HB3 ")
(segid " " and resid "92 " and name "HB1 ")
ASSI { 6322}
(segid " " and resid "14 " and name "HB2 ")
(segid " " and resid "92 " and name "HB2 ")
5.000 3.100 1.000 peak 6322 weight 0.10000E+01 volume -0.14210E+01 ppm1 1.251 ppm2 1.584
OR { 6322}
(segid " " and resid "14 " and name "HB1 ")
(segid " " and resid "92 " and name "HB2 ")
OR { 6322}
(segid " " and resid "14 " and name "HB3 ")
(segid " " and resid "92 " and name "HB2 ")
ASSI { 6872}
(segid " " and resid "65 " and name "HG21")
(segid " " and resid "41 " and name "HD13")
3.300 1.400 1.400 peak 6872 weight 0.10000E+01 volume 0.11730E+01 ppm1 1.026 ppm2 0.292
OR { 6872}
(segid " " and resid "65 " and name "HG21")
(segid " " and resid "41 " and name "HD12")
OR { 6872}
(segid " " and resid "65 " and name "HG22")
(segid " " and resid "41 " and name "HD13")
OR { 6872}
(segid " " and resid "65 " and name "HG23")
(segid " " and resid "41 " and name "HD13")
OR { 6872}
(segid " " and resid "65 " and name "HG23")
(segid " " and resid "41 " and name "HD12")
OR { 6872}
(segid " " and resid "65 " and name "HG23")
(segid " " and resid "41 " and name "HD11")
ASSI { 6860}
(segid " " and resid "65 " and name "HG21")
(segid " " and resid "41 " and name "HG21")
3.400 1.400 1.400 peak 6860 weight 0.10000E+01 volume 0.10740E+01 ppm1 1.027 ppm2 0.695
OR { 6860}
(segid " " and resid "65 " and name "HG23")
(segid " " and resid "41 " and name "HG22")
OR { 6860}
(segid " " and resid "65 " and name "HG21")
(segid " " and resid "41 " and name "HG23")
OR { 6860}
(segid " " and resid "65 " and name "HG23")
(segid " " and resid "41 " and name "HG21")
OR { 6860}
(segid " " and resid "65 " and name "HG23")
(segid " " and resid "41 " and name "HG23")
ASSI { 7439}
(segid " " and resid "98 " and name "HG21")
(segid " " and resid "98 " and name "HA ")
2.600 0.800 0.800 peak 7439 weight 0.10000E+01 volume 0.27800E+01 ppm1 0.907 ppm2 4.431
OR { 7439}
(segid " " and resid "98 " and name "HG22")
(segid " " and resid "98 " and name "HA ")
OR { 7439}
(segid " " and resid "98 " and name "HG23")
(segid " " and resid "98 " and name "HA ")
ASSI { 7425}
(segid " " and resid "98 " and name "HG23")
(segid " " and resid "96 " and name "HB ")
3.000 1.100 1.100 peak 7425 weight 0.10000E+01 volume 0.59500E+00 ppm1 0.906 ppm2 1.614
OR { 7425}
(segid " " and resid "98 " and name "HG21")
(segid " " and resid "96 " and name "HB ")
OR { 7425}
(segid " " and resid "98 " and name "HG22")
(segid " " and resid "96 " and name "HB ")
ASSI { 6441}
(segid " " and resid "90 " and name "HG23")
(segid " " and resid "23 " and name "HB1 ")
3.000 1.100 1.100 peak 6441 weight 0.10000E+01 volume 0.60500E+00 ppm1 1.031 ppm2 3.809
OR { 6441}
(segid " " and resid "90 " and name "HG23")
(segid " " and resid "23 " and name "HB2 ")
OR { 6441}
(segid " " and resid "90 " and name "HG21")
(segid " " and resid "23 " and name "HB1 ")
OR { 6441}
(segid " " and resid "90 " and name "HG22")
(segid " " and resid "23 " and name "HB2 ")
ASSI { 6999}
(segid " " and resid "46 " and name "HG12")
(segid " " and resid "48 " and name "HD2 ")
4.400 2.400 1.600 peak 6999 weight 0.10000E+01 volume 0.24500E+00 ppm1 0.693 ppm2 6.917
OR { 6999}
(segid " " and resid "46 " and name "HG11")
(segid " " and resid "48 " and name "HD2 ")
OR { 6999}
(segid " " and resid "46 " and name "HG11")
(segid " " and resid "48 " and name "HD1 ")
ASSI { 6701}
(segid " " and resid "46 " and name "HG11")
(segid " " and resid "24 " and name "HE2 ")
3.100 1.200 1.200 peak 6701 weight 0.10000E+01 volume 0.18040E+01 ppm1 0.696 ppm2 1.855
OR { 6701}
(segid " " and resid "46 " and name "HG12")
(segid " " and resid "24 " and name "HE2 ")
OR { 6701}
(segid " " and resid "46 " and name "HG13")
(segid " " and resid "24 " and name "HE1 ")
OR { 6701}
(segid " " and resid "46 " and name "HG13")
(segid " " and resid "24 " and name "HE2 ")
OR { 6701}
(segid " " and resid "46 " and name "HG13")
(segid " " and resid "24 " and name "HE3 ")
ASSI { 6411}
(segid " " and resid "96 " and name "HG13")
(segid " " and resid "16 " and name "HA ")
3.300 1.400 1.400 peak 6411 weight 0.10000E+01 volume -0.39610E+01 ppm1 0.704 ppm2 3.908
OR { 6411}
(segid " " and resid "96 " and name "HG11")
(segid " " and resid "16 " and name "HA ")
OR { 6411}
(segid " " and resid "96 " and name "HG12")
(segid " " and resid "16 " and name "HA ")
ASSI { 6558}
(segid " " and resid "26 " and name "HG11")
(segid " " and resid "26 " and name "HA ")
2.700 0.900 0.900 peak 6558 weight 0.10000E+01 volume 0.24130E+01 ppm1 0.867 ppm2 4.835
OR { 6558}
(segid " " and resid "26 " and name "HG13")
(segid " " and resid "26 " and name "HA ")
OR { 6558}
(segid " " and resid "26 " and name "HG12")
(segid " " and resid "26 " and name "HA ")
ASSI { 7455}
(segid " " and resid "100 " and name "HG23")
(segid " " and resid "99 " and name "HA ")
5.000 3.100 1.000 peak 7455 weight 0.10000E+01 volume -0.46000E+00 ppm1 0.949 ppm2 4.573
OR { 7455}
(segid " " and resid "100 " and name "HG22")
(segid " " and resid "99 " and name "HA ")
OR { 7455}
(segid " " and resid "100 " and name "HG21")
(segid " " and resid "99 " and name "HA ")
ASSI { 6695}
(segid " " and resid "40 " and name "HG22")
(segid " " and resid "32 " and name "HG2 ")
3.100 1.200 1.200 peak 6695 weight 0.10000E+01 volume 0.48200E+00 ppm1 1.228 ppm2 2.352
OR { 6695}
(segid " " and resid "40 " and name "HG21")
(segid " " and resid "32 " and name "HG2 ")
OR { 6695}
(segid " " and resid "40 " and name "HG23")
(segid " " and resid "32 " and name "HG2 ")
ASSI { 4673}
(segid " " and resid "40 " and name "HG22")
(segid " " and resid "32 " and name "HG1 ")
3.100 1.200 1.200 peak 4673 weight 0.10000E+01 volume 0.46500E+00 ppm1 1.230 ppm2 2.488
OR { 4673}
(segid " " and resid "40 " and name "HG23")
(segid " " and resid "32 " and name "HG1 ")
OR { 4673}
(segid " " and resid "40 " and name "HG21")
(segid " " and resid "32 " and name "HG1 ")
ASSI { 6632}
(segid " " and resid "28 " and name "HD11")
(segid " " and resid "28 " and name "HB2 ")
3.300 1.400 1.400 peak 6632 weight 0.10000E+01 volume -0.25290E+01 ppm1 0.788 ppm2 1.587
OR { 6632}
(segid " " and resid "28 " and name "HD12")
(segid " " and resid "28 " and name "HB2 ")
OR { 6632}
(segid " " and resid "28 " and name "HD13")
(segid " " and resid "28 " and name "HB1 ")
OR { 6632}
(segid " " and resid "28 " and name "HD11")
(segid " " and resid "28 " and name "HB1 ")
ASSI { 6840}
(segid " " and resid "40 " and name "HG23")
(segid " " and resid "41 " and name "HA ")
3.600 1.600 1.600 peak 6840 weight 0.10000E+01 volume 0.43500E+00 ppm1 1.235 ppm2 4.418
OR { 6840}
(segid " " and resid "40 " and name "HG21")
(segid " " and resid "41 " and name "HA ")
OR { 6840}
(segid " " and resid "40 " and name "HG22")
(segid " " and resid "41 " and name "HA ")
ASSI { 4111}
(segid " " and resid "49 " and name "HG12")
(segid " " and resid "61 " and name "HA ")
5.000 3.100 1.000 peak 4111 weight 0.10000E+01 volume -0.41000E+00 ppm1 0.687 ppm2 5.317
OR { 4111}
(segid " " and resid "49 " and name "HG11")
(segid " " and resid "61 " and name "HA ")
OR { 4111}
(segid " " and resid "49 " and name "HG13")
(segid " " and resid "61 " and name "HA ")
ASSI { 3712}
(segid " " and resid "102 " and name "HG2 ")
(segid " " and resid "102 " and name "HE2 ")
5.000 3.100 1.000 peak 3712 weight 0.10000E+01 volume -0.64800E+00 ppm1 0.345 ppm2 2.356
OR { 3712}
(segid " " and resid "102 " and name "HG2 ")
(segid " " and resid "102 " and name "HE1 ")
ASSI { 7233}
(segid " " and resid "25 " and name "HB2 ")
(segid " " and resid "87 " and name "HG1 ")
5.000 3.100 1.000 peak 7233 weight 0.10000E+01 volume -0.54700E+00 ppm1 1.188 ppm2 2.484
OR { 7233}
(segid " " and resid "25 " and name "HB1 ")
(segid " " and resid "87 " and name "HG1 ")
OR { 7233}
(segid " " and resid "25 " and name "HB3 ")
(segid " " and resid "87 " and name "HG1 ")
ASSI { 6906}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "76 " and name "HD1 ")
5.000 3.100 1.000 peak 6906 weight 0.10000E+01 volume -0.54800E+00 ppm1 0.891 ppm2 3.172
OR { 6906}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "76 " and name "HD2 ")
OR { 6906}
(segid " " and resid "39 " and name "HD21")
(segid " " and resid "76 " and name "HD2 ")
OR { 6906}
(segid " " and resid "39 " and name "HD21")
(segid " " and resid "76 " and name "HD1 ")
ASSI { 7117}
(segid " " and resid "73 " and name "HD22")
(segid " " and resid "64 " and name "HB1 ")
3.600 1.600 1.600 peak 7117 weight 0.10000E+01 volume 0.21200E+00 ppm1 0.753 ppm2 3.807
OR { 7117}
(segid " " and resid "73 " and name "HD21")
(segid " " and resid "64 " and name "HB1 ")
OR { 7117}
(segid " " and resid "73 " and name "HD23")
(segid " " and resid "64 " and name "HB1 ")
OR { 7117}
(segid " " and resid "73 " and name "HD22")
(segid " " and resid "64 " and name "HB2 ")
OR { 7117}
(segid " " and resid "73 " and name "HD21")
(segid " " and resid "64 " and name "HB2 ")
OR { 7117}
(segid " " and resid "73 " and name "HD23")
(segid " " and resid "64 " and name "HB2 ")
ASSI { 6673}
(segid " " and resid "77 " and name "HD21")
(segid " " and resid "77 " and name "HA ")
5.000 3.100 1.000 peak 6673 weight 0.10000E+01 volume -0.14700E+01 ppm1 0.313 ppm2 4.685
OR { 6673}
(segid " " and resid "77 " and name "HD22")
(segid " " and resid "77 " and name "HA ")
OR { 6673}
(segid " " and resid "77 " and name "HD23")
(segid " " and resid "77 " and name "HA ")
ASSI { 7119}
(segid " " and resid "77 " and name "HD21")
(segid " " and resid "64 " and name "HB2 ")
2.700 0.900 0.900 peak 7119 weight 0.10000E+01 volume 0.11710E+01 ppm1 0.316 ppm2 3.806
OR { 7119}
(segid " " and resid "77 " and name "HD23")
(segid " " and resid "64 " and name "HB2 ")
OR { 7119}
(segid " " and resid "77 " and name "HD22")
(segid " " and resid "64 " and name "HB2 ")
OR { 7119}
(segid " " and resid "77 " and name "HD21")
(segid " " and resid "64 " and name "HB1 ")
OR { 7119}
(segid " " and resid "77 " and name "HD23")
(segid " " and resid "64 " and name "HB1 ")
ASSI { 6232}
(segid " " and resid "6 " and name "HG2 ")
(segid " " and resid "6 " and name "HA ")
6.000 4.500 0.000 peak 6232 weight 0.10000E+01 volume -0.24800E+00 ppm1 1.351 ppm2 2.908
ASSI { 6321}
(segid " " and resid "92 " and name "HG2 ")
(segid " " and resid "92 " and name "HB2 ")
3.300 1.400 1.400 peak 6321 weight 0.10000E+01 volume -0.25750E+01 ppm1 1.341 ppm2 1.567
OR { 6321}
(segid " " and resid "92 " and name "HG1 ")
(segid " " and resid "92 " and name "HB2 ")
ASSI { 6351}
(segid " " and resid "77 " and name "HD12")
(segid " " and resid "77 " and name "HG ")
2.500 0.800 0.800 peak 6351 weight 0.10000E+01 volume 0.18650E+01 ppm1 0.522 ppm2 1.313
OR { 6351}
(segid " " and resid "77 " and name "HD11")
(segid " " and resid "77 " and name "HG ")
OR { 6351}
(segid " " and resid "77 " and name "HD13")
(segid " " and resid "77 " and name "HG ")
ASSI { 6507}
(segid " " and resid "91 " and name "HD21")
(segid " " and resid "23 " and name "HA ")
5.000 3.100 1.000 peak 6507 weight 0.10000E+01 volume -0.79100E+00 ppm1 0.765 ppm2 4.931
OR { 6507}
(segid " " and resid "91 " and name "HD22")
(segid " " and resid "23 " and name "HA ")
OR { 6507}
(segid " " and resid "91 " and name "HD23")
(segid " " and resid "23 " and name "HA ")
ASSI { 7286}
(segid " " and resid "28 " and name "HD23")
(segid " " and resid "84 " and name "HA ")
3.500 1.500 1.500 peak 7286 weight 0.10000E+01 volume 0.53700E+00 ppm1 0.775 ppm2 4.360
OR { 7286}
(segid " " and resid "28 " and name "HD22")
(segid " " and resid "84 " and name "HA ")
OR { 7286}
(segid " " and resid "28 " and name "HD21")
(segid " " and resid "84 " and name "HA ")
ASSI { 6449}
(segid " " and resid "21 " and name "HG1 ")
(segid " " and resid "20 " and name "HA ")
5.000 3.100 1.000 peak 6449 weight 0.10000E+01 volume -0.39700E+00 ppm1 1.710 ppm2 4.987
ASSI { 6456}
(segid " " and resid "21 " and name "HG1 ")
(segid " " and resid "21 " and name "HB1 ")
2.400 0.700 0.700 peak 6456 weight 0.10000E+01 volume 0.70800E+00 ppm1 1.731 ppm2 1.501
ASSI { 6815}
(segid " " and resid "39 " and name "HG ")
(segid " " and resid "39 " and name "HB2 ")
5.000 3.100 1.000 peak 6815 weight 0.10000E+01 volume -0.72200E+00 ppm1 1.570 ppm2 1.460
ASSI { 6816}
(segid " " and resid "39 " and name "HG ")
(segid " " and resid "39 " and name "HB1 ")
5.000 3.100 1.000 peak 6816 weight 0.10000E+01 volume -0.79700E+00 ppm1 1.570 ppm2 1.686
ASSI { 7069}
(segid " " and resid "53 " and name "HG ")
(segid " " and resid "53 " and name "HD23")
2.900 1.100 1.100 peak 7069 weight 0.10000E+01 volume 0.74200E+00 ppm1 1.813 ppm2 0.791
OR { 7069}
(segid " " and resid "53 " and name "HG ")
(segid " " and resid "53 " and name "HD22")
OR { 7069}
(segid " " and resid "53 " and name "HG ")
(segid " " and resid "53 " and name "HD21")
ASSI { 6887}
(segid " " and resid "43 " and name "HG1 ")
(segid " " and resid "43 " and name "HA ")
5.000 3.100 1.000 peak 6887 weight 0.10000E+01 volume -0.91700E+00 ppm1 1.431 ppm2 3.224
ASSI { 6572}
(segid " " and resid "73 " and name "HG ")
(segid " " and resid "73 " and name "HB1 ")
2.700 0.900 0.900 peak 6572 weight 0.10000E+01 volume -0.54210E+01 ppm1 1.554 ppm2 1.578
OR { 6572}
(segid " " and resid "73 " and name "HG ")
(segid " " and resid "73 " and name "HB2 ")
ASSI { 7123}
(segid " " and resid "81 " and name "HG1 ")
(segid " " and resid "81 " and name "HA ")
3.000 1.100 1.100 peak 7123 weight 0.10000E+01 volume 0.35800E+00 ppm1 1.878 ppm2 4.662
OR { 7123}
(segid " " and resid "81 " and name "HG2 ")
(segid " " and resid "81 " and name "HA ")
ASSI { 6408}
(segid " " and resid "16 " and name "HB2 ")
(segid " " and resid "16 " and name "HA ")
5.000 3.100 1.000 peak 6408 weight 0.10000E+01 volume -0.19410E+01 ppm1 2.107 ppm2 3.918
OR { 6408}
(segid " " and resid "16 " and name "HB1 ")
(segid " " and resid "16 " and name "HA ")
ASSI { 6418}
(segid " " and resid "17 " and name "HB2 ")
(segid " " and resid "17 " and name "HA ")
5.000 3.100 1.000 peak 6418 weight 0.10000E+01 volume -0.92300E+00 ppm1 1.836 ppm2 4.374
ASSI { 6392}
(segid " " and resid "22 " and name "HG11")
(segid " " and resid "14 " and name "HB1 ")
3.100 1.200 1.200 peak 6392 weight 0.10000E+01 volume 0.52400E+00 ppm1 1.769 ppm2 1.257
OR { 6392}
(segid " " and resid "22 " and name "HG11")
(segid " " and resid "14 " and name "HB3 ")
OR { 6392}
(segid " " and resid "22 " and name "HG11")
(segid " " and resid "14 " and name "HB2 ")
ASSI { 7404}
(segid " " and resid "92 " and name "HD2 ")
(segid " " and resid "93 " and name "HD1 ")
5.000 3.100 1.000 peak 7404 weight 0.10000E+01 volume -0.33900E+00 ppm1 1.485 ppm2 3.698
ASSI { 7476}
(segid " " and resid "102 " and name "HD2 ")
(segid " " and resid "102 " and name "HA ")
5.000 3.100 1.000 peak 7476 weight 0.10000E+01 volume -0.51400E+00 ppm1 1.248 ppm2 4.007
OR { 7476}
(segid " " and resid "102 " and name "HD1 ")
(segid " " and resid "102 " and name "HA ")
ASSI { 1134}
(segid " " and resid "99 " and name "HD2 ")
(segid " " and resid "99 " and name "HB1 ")
2.000 0.500 0.500 peak 1134 weight 0.10000E+01 volume 0.21790E+01 ppm1 1.773 ppm2 1.958
OR { 1134}
(segid " " and resid "99 " and name "HD1 ")
(segid " " and resid "99 " and name "HB1 ")
ASSI { 6539}
(segid " " and resid "87 " and name "HB2 ")
(segid " " and resid "25 " and name "HA ")
5.000 3.100 1.000 peak 6539 weight 0.10000E+01 volume -0.39600E+00 ppm1 2.104 ppm2 5.288
OR { 6539}
(segid " " and resid "87 " and name "HB1 ")
(segid " " and resid "25 " and name "HA ")
ASSI { 7231}
(segid " " and resid "87 " and name "HB1 ")
(segid " " and resid "87 " and name "HG1 ")
5.000 3.100 1.000 peak 7231 weight 0.10000E+01 volume -0.96300E+00 ppm1 2.151 ppm2 2.492
OR { 7231}
(segid " " and resid "87 " and name "HB2 ")
(segid " " and resid "87 " and name "HG1 ")
ASSI { 7124}
(segid " " and resid "81 " and name "HB2 ")
(segid " " and resid "81 " and name "HA ")
2.800 1.000 1.000 peak 7124 weight 0.10000E+01 volume 0.48000E+00 ppm1 1.835 ppm2 4.662
ASSI { 7492}
(segid " " and resid "102 " and name "HB2 ")
(segid " " and resid "102 " and name "HD2 ")
2.200 0.600 0.600 peak 7492 weight 0.10000E+01 volume 0.12190E+01 ppm1 1.361 ppm2 1.257
OR { 7492}
(segid " " and resid "102 " and name "HB2 ")
(segid " " and resid "102 " and name "HD1 ")
ASSI { 7491}
(segid " " and resid "102 " and name "HB1 ")
(segid " " and resid "102 " and name "HD2 ")
2.200 2.200 2.800 peak 7491 weight 0.10000E+01 volume 0.11950E+01 ppm1 1.593 ppm2 1.247
OR { 7491}
(segid " " and resid "102 " and name "HB1 ")
(segid " " and resid "102 " and name "HD1 ")
ASSI { 6705}
(segid " " and resid "32 " and name "HG1 ")
(segid " " and resid "32 " and name "HB2 ")
2.000 0.500 0.500 peak 6705 weight 0.10000E+01 volume 0.17840E+01 ppm1 2.476 ppm2 1.724
OR { 6705}
(segid " " and resid "32 " and name "HG1 ")
(segid " " and resid "32 " and name "HB1 ")
ASSI { 6569}
(segid " " and resid "93 " and name "HB2 ")
(segid " " and resid "95 " and name "HB2 ")
5.000 3.100 1.000 peak 6569 weight 0.10000E+01 volume -0.78000E+00 ppm1 1.715 ppm2 1.714
ASSI { 3811}
(segid " " and resid "6 " and name "HB1 ")
(segid " " and resid "6 " and name "HD1 ")
2.200 2.200 2.800 peak 3811 weight 0.10000E+01 volume 0.98800E+00 ppm1 1.381 ppm2 1.617
ASSI { 6754}
(segid " " and resid "34 " and name "HB1 ")
(segid " " and resid "34 " and name "HD1 ")
6.000 4.500 0.000 peak 6754 weight 0.10000E+01 volume -0.29800E+00 ppm1 2.121 ppm2 3.785
ASSI { 752}
(segid " " and resid "3 " and name "HB2 ")
(segid " " and resid "3 " and name "HA ")
2.400 0.700 0.700 peak 752 weight 0.10000E+01 volume 0.13440E+01 ppm1 1.852 ppm2 4.108
ASSI { 7282}
(segid " " and resid "29 " and name "HG2 ")
(segid " " and resid "84 " and name "HA ")
2.700 0.900 0.900 peak 7282 weight 0.10000E+01 volume 0.59700E+00 ppm1 2.233 ppm2 4.338
OR { 7282}
(segid " " and resid "29 " and name "HG1 ")
(segid " " and resid "84 " and name "HA ")
ASSI { 6642}
(segid " " and resid "29 " and name "HB2 ")
(segid " " and resid "29 " and name "HA ")
5.000 3.100 1.000 peak 6642 weight 0.10000E+01 volume -0.10460E+01 ppm1 1.878 ppm2 4.546
ASSI { 6209}
(segid " " and resid "4 " and name "HG1 ")
(segid " " and resid "4 " and name "HE1 ")
5.000 3.100 1.000 peak 6209 weight 0.10000E+01 volume -0.58700E+00 ppm1 2.716 ppm2 2.135
OR { 6209}
(segid " " and resid "4 " and name "HG1 ")
(segid " " and resid "4 " and name "HE2 ")
OR { 6209}
(segid " " and resid "4 " and name "HG1 ")
(segid " " and resid "4 " and name "HE3 ")
ASSI { 7520}
(segid " " and resid "108 " and name "HG1 ")
(segid " " and resid "108 " and name "HB2 ")
3.300 1.400 1.400 peak 7520 weight 0.10000E+01 volume -0.39400E+01 ppm1 2.432 ppm2 2.004
OR { 7520}
(segid " " and resid "108 " and name "HG2 ")
(segid " " and resid "108 " and name "HB2 ")
ASSI { 6918}
(segid " " and resid "108 " and name "HG2 ")
(segid " " and resid "108 " and name "HA ")
2.400 0.700 0.700 peak 6918 weight 0.10000E+01 volume 0.15120E+01 ppm1 2.428 ppm2 4.254
OR { 6918}
(segid " " and resid "108 " and name "HG1 ")
(segid " " and resid "108 " and name "HA ")
ASSI { 7416}
(segid " " and resid "95 " and name "HB2 ")
(segid " " and resid "95 " and name "HG2 ")
3.300 1.400 1.400 peak 7416 weight 0.10000E+01 volume -0.22360E+01 ppm1 1.702 ppm2 1.264
OR { 7416}
(segid " " and resid "95 " and name "HB2 ")
(segid " " and resid "95 " and name "HG1 ")
ASSI { 6426}
(segid " " and resid "17 " and name "HG2 ")
(segid " " and resid "17 " and name "HB2 ")
5.000 3.100 1.000 peak 6426 weight 0.10000E+01 volume -0.13350E+01 ppm1 2.307 ppm2 1.838
OR { 6426}
(segid " " and resid "17 " and name "HG1 ")
(segid " " and resid "17 " and name "HB2 ")
ASSI { 6326}
(segid " " and resid "10 " and name "HB2 ")
(segid " " and resid "10 " and name "HD1 ")
2.600 0.800 0.800 peak 6326 weight 0.10000E+01 volume 0.43700E+00 ppm1 1.571 ppm2 3.303
ASSI { 7347}
(segid " " and resid "87 " and name "HG1 ")
(segid " " and resid "87 " and name "HA ")
2.800 1.000 1.000 peak 7347 weight 0.10000E+01 volume 0.59200E+00 ppm1 2.491 ppm2 4.225
ASSI { 6439}
(segid " " and resid "87 " and name "HG2 ")
(segid " " and resid "23 " and name "HB2 ")
6.000 4.500 0.000 peak 6439 weight 0.10000E+01 volume -0.29700E+00 ppm1 2.156 ppm2 3.797
OR { 6439}
(segid " " and resid "87 " and name "HG2 ")
(segid " " and resid "23 " and name "HB1 ")
ASSI { 6639}
(segid " " and resid "72 " and name "HB1 ")
(segid " " and resid "72 " and name "HA ")
2.300 0.700 0.700 peak 6639 weight 0.10000E+01 volume 0.15720E+01 ppm1 2.765 ppm2 4.608
ASSI { 7075}
(segid " " and resid "54 " and name "HE1 ")
(segid " " and resid "54 " and name "HB2 ")
2.300 0.700 0.700 peak 7075 weight 0.10000E+01 volume 0.82300E+00 ppm1 2.892 ppm2 1.466
OR { 7075}
(segid " " and resid "54 " and name "HE2 ")
(segid " " and resid "54 " and name "HB2 ")
ASSI { 6235}
(segid " " and resid "6 " and name "HE2 ")
(segid " " and resid "6 " and name "HB1 ")
5.000 3.100 1.000 peak 6235 weight 0.10000E+01 volume -0.54500E+00 ppm1 2.789 ppm2 1.385
OR { 6235}
(segid " " and resid "6 " and name "HE1 ")
(segid " " and resid "6 " and name "HB1 ")
ASSI { 7502}
(segid " " and resid "104 " and name "HB1 ")
(segid " " and resid "104 " and name "HA ")
2.700 0.900 0.900 peak 7502 weight 0.10000E+01 volume 0.60600E+00 ppm1 1.593 ppm2 4.306
ASSI { 6785}
(segid " " and resid "36 " and name "HB2 ")
(segid " " and resid "36 " and name "HA ")
2.500 0.800 0.800 peak 6785 weight 0.10000E+01 volume 0.98500E+00 ppm1 3.341 ppm2 4.763
ASSI { 7384}
(segid " " and resid "91 " and name "HB2 ")
(segid " " and resid "91 " and name "HD13")
5.000 3.100 1.000 peak 7384 weight 0.10000E+01 volume -0.13040E+01 ppm1 1.436 ppm2 0.789
OR { 7384}
(segid " " and resid "91 " and name "HB2 ")
(segid " " and resid "91 " and name "HD12")
OR { 7384}
(segid " " and resid "91 " and name "HB2 ")
(segid " " and resid "91 " and name "HD11")
ASSI { 6303}
(segid " " and resid "9 " and name "HB1 ")
(segid " " and resid "9 " and name "HA ")
2.400 0.700 0.700 peak 6303 weight 0.10000E+01 volume 0.13500E+01 ppm1 2.898 ppm2 4.713
ASSI { 6304}
(segid " " and resid "9 " and name "HB2 ")
(segid " " and resid "9 " and name "HA ")
2.500 0.800 0.800 peak 6304 weight 0.10000E+01 volume 0.97600E+00 ppm1 2.547 ppm2 4.692
ASSI { 6339}
(segid " " and resid "12 " and name "HB1 ")
(segid " " and resid "12 " and name "HA ")
2.600 0.800 0.800 peak 6339 weight 0.10000E+01 volume 0.77700E+00 ppm1 1.348 ppm2 5.247
ASSI { 6362}
(segid " " and resid "12 " and name "HB1 ")
(segid " " and resid "12 " and name "HD22")
5.000 3.100 1.000 peak 6362 weight 0.10000E+01 volume -0.12520E+01 ppm1 1.350 ppm2 0.725
OR { 6362}
(segid " " and resid "12 " and name "HB1 ")
(segid " " and resid "12 " and name "HD21")
OR { 6362}
(segid " " and resid "12 " and name "HB1 ")
(segid " " and resid "12 " and name "HD23")
ASSI { 1111}
(segid " " and resid "2 " and name "HA2 ")
(segid " " and resid "3 " and name "HD2 ")
2.700 0.900 0.900 peak 1111 weight 0.10000E+01 volume 0.68300E+00 ppm1 3.516 ppm2 3.429
ASSI { 1042}
(segid " " and resid "2 " and name "HA2 ")
(segid " " and resid "3 " and name "HD1 ")
2.500 0.800 0.800 peak 1042 weight 0.10000E+01 volume 0.10970E+01 ppm1 3.514 ppm2 3.602
ASSI { 6825}
(segid " " and resid "78 " and name "HA2 ")
(segid " " and resid "39 " and name "HD23")
5.000 3.100 1.000 peak 6825 weight 0.10000E+01 volume -0.51600E+00 ppm1 3.688 ppm2 0.888
OR { 6825}
(segid " " and resid "78 " and name "HA2 ")
(segid " " and resid "39 " and name "HD21")
ASSI { 852}
(segid " " and resid "3 " and name "HD2 ")
(segid " " and resid "3 " and name "HB2 ")
5.000 3.100 1.000 peak 852 weight 0.10000E+01 volume -0.39500E+00 ppm1 3.452 ppm2 1.837
ASSI { 6704}
(segid " " and resid "93 " and name "HD2 ")
(segid " " and resid "93 " and name "HB2 ")
5.000 3.100 1.000 peak 6704 weight 0.10000E+01 volume -0.61500E+00 ppm1 3.582 ppm2 1.724
ASSI { 6545}
(segid " " and resid "85 " and name "HA ")
(segid " " and resid "25 " and name "HB3 ")
5.000 3.100 1.000 peak 6545 weight 0.10000E+01 volume -0.50900E+00 ppm1 5.343 ppm2 1.209
OR { 6545}
(segid " " and resid "85 " and name "HA ")
(segid " " and resid "25 " and name "HB2 ")
OR { 6545}
(segid " " and resid "85 " and name "HA ")
(segid " " and resid "25 " and name "HB1 ")
ASSI { 6636}
(segid " " and resid "43 " and name "HA ")
(segid " " and resid "29 " and name "HA ")
3.200 1.300 1.300 peak 6636 weight 0.10000E+01 volume 0.45100E+00 ppm1 3.228 ppm2 4.563
ASSI { 7257}
(segid " " and resid "23 " and name "HB1 ")
(segid " " and resid "87 " and name "HB2 ")
2.700 0.900 0.900 peak 7257 weight 0.10000E+01 volume 0.31400E+00 ppm1 3.797 ppm2 2.100
OR { 7257}
(segid " " and resid "23 " and name "HB2 ")
(segid " " and resid "87 " and name "HB2 ")
ASSI { 7357}
(segid " " and resid "90 " and name "HB ")
(segid " " and resid "89 " and name "HA ")
5.000 3.100 1.000 peak 7357 weight 0.10000E+01 volume -0.43100E+00 ppm1 4.009 ppm2 4.526
ASSI { 6678}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "31 " and name "HB1 ")
5.000 3.100 1.000 peak 6678 weight 0.10000E+01 volume -0.76400E+00 ppm1 0.673 ppm2 2.641
OR { 6678}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "31 " and name "HB1 ")
OR { 6678}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "31 " and name "HB1 ")
ASSI { 1041}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "81 " and name "HD1 ")
6.000 4.500 0.000 peak 1041 weight 0.10000E+01 volume -0.23600E+00 ppm1 0.674 ppm2 3.421
OR { 1041}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "81 " and name "HD1 ")
OR { 1041}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "81 " and name "HD1 ")
ASSI { 7016}
(segid " " and resid "22 " and name "HG21")
(segid " " and resid "49 " and name "HB ")
3.400 1.400 1.400 peak 7016 weight 0.10000E+01 volume 0.27800E+00 ppm1 0.783 ppm2 2.534
OR { 7016}
(segid " " and resid "22 " and name "HG23")
(segid " " and resid "49 " and name "HB ")
OR { 7016}
(segid " " and resid "22 " and name "HG22")
(segid " " and resid "49 " and name "HB ")
ASSI { 6694}
(segid " " and resid "32 " and name "HE1 ")
(segid " " and resid "32 " and name "HG2 ")
3.000 1.100 1.100 peak 6694 weight 0.10000E+01 volume 0.65300E+00 ppm1 1.967 ppm2 2.326
OR { 6694}
(segid " " and resid "32 " and name "HE3 ")
(segid " " and resid "32 " and name "HG2 ")
OR { 6694}
(segid " " and resid "32 " and name "HE2 ")
(segid " " and resid "32 " and name "HG2 ")
ASSI { 6897}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "84 " and name "HG12")
2.700 0.900 0.900 peak 6897 weight 0.10000E+01 volume 0.10590E+01 ppm1 0.793 ppm2 1.196
OR { 6897}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "84 " and name "HG12")
OR { 6897}
(segid " " and resid "84 " and name "HG23")
(segid " " and resid "84 " and name "HG12")
ASSI { 6554}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "25 " and name "HB3 ")
2.800 1.000 1.000 peak 6554 weight 0.10000E+01 volume 0.31090E+01 ppm1 0.845 ppm2 1.189
OR { 6554}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "25 " and name "HB2 ")
OR { 6554}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "25 " and name "HB1 ")
OR { 6554}
(segid " " and resid "85 " and name "HG22")
(segid " " and resid "25 " and name "HB3 ")
OR { 6554}
(segid " " and resid "85 " and name "HG22")
(segid " " and resid "25 " and name "HB2 ")
OR { 6554}
(segid " " and resid "85 " and name "HG22")
(segid " " and resid "25 " and name "HB1 ")
ASSI { 6842}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "41 " and name "HA ")
2.800 1.000 1.000 peak 6842 weight 0.10000E+01 volume 0.20480E+01 ppm1 0.696 ppm2 4.401
OR { 6842}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "41 " and name "HA ")
OR { 6842}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "41 " and name "HA ")
ASSI { 6937}
(segid " " and resid "27 " and name "HB3 ")
(segid " " and resid "45 " and name "HG1 ")
5.000 3.100 1.000 peak 6937 weight 0.10000E+01 volume -0.41000E+00 ppm1 1.399 ppm2 2.429
OR { 6937}
(segid " " and resid "27 " and name "HB2 ")
(segid " " and resid "45 " and name "HG1 ")
OR { 6937}
(segid " " and resid "27 " and name "HB3 ")
(segid " " and resid "45 " and name "HG2 ")
OR { 6937}
(segid " " and resid "27 " and name "HB2 ")
(segid " " and resid "45 " and name "HG2 ")
ASSI { 7408}
(segid " " and resid "14 " and name "HB1 ")
(segid " " and resid "94 " and name "HA1 ")
5.000 3.100 1.000 peak 7408 weight 0.10000E+01 volume -0.57600E+00 ppm1 1.259 ppm2 3.797
OR { 7408}
(segid " " and resid "14 " and name "HB2 ")
(segid " " and resid "94 " and name "HA1 ")
OR { 7408}
(segid " " and resid "14 " and name "HB3 ")
(segid " " and resid "94 " and name "HA1 ")
ASSI { 6477}
(segid " " and resid "14 " and name "HB1 ")
(segid " " and resid "22 " and name "HG12")
3.000 1.100 1.100 peak 6477 weight 0.10000E+01 volume 0.56800E+00 ppm1 1.252 ppm2 0.618
OR { 6477}
(segid " " and resid "14 " and name "HB3 ")
(segid " " and resid "22 " and name "HG12")
OR { 6477}
(segid " " and resid "14 " and name "HB2 ")
(segid " " and resid "22 " and name "HG12")
ASSI { 7125}
(segid " " and resid "65 " and name "HG22")
(segid " " and resid "65 " and name "HA ")
2.700 0.900 0.900 peak 7125 weight 0.10000E+01 volume 0.21600E+01 ppm1 1.028 ppm2 4.672
OR { 7125}
(segid " " and resid "65 " and name "HG21")
(segid " " and resid "65 " and name "HA ")
OR { 7125}
(segid " " and resid "65 " and name "HG23")
(segid " " and resid "65 " and name "HA ")
ASSI { 6560}
(segid " " and resid "46 " and name "HG12")
(segid " " and resid "26 " and name "HA ")
3.400 1.400 1.400 peak 6560 weight 0.10000E+01 volume 0.56100E+00 ppm1 0.699 ppm2 4.835
OR { 6560}
(segid " " and resid "46 " and name "HG11")
(segid " " and resid "26 " and name "HA ")
OR { 6560}
(segid " " and resid "46 " and name "HG13")
(segid " " and resid "26 " and name "HA ")
ASSI { 6745}
(segid " " and resid "59 " and name "HD21")
(segid " " and resid "59 " and name "HG ")
2.200 0.600 0.600 peak 6745 weight 0.10000E+01 volume 0.40380E+01 ppm1 0.657 ppm2 1.287
OR { 6745}
(segid " " and resid "59 " and name "HD23")
(segid " " and resid "59 " and name "HG ")
OR { 6745}
(segid " " and resid "59 " and name "HD22")
(segid " " and resid "59 " and name "HG ")
ASSI { 7172}
(segid " " and resid "73 " and name "HD23")
(segid " " and resid "73 " and name "HB2 ")
3.300 1.400 1.400 peak 7172 weight 0.10000E+01 volume -0.27470E+01 ppm1 0.742 ppm2 1.582
OR { 7172}
(segid " " and resid "73 " and name "HD23")
(segid " " and resid "73 " and name "HB1 ")
OR { 7172}
(segid " " and resid "73 " and name "HD22")
(segid " " and resid "73 " and name "HB1 ")
OR { 7172}
(segid " " and resid "73 " and name "HD21")
(segid " " and resid "73 " and name "HB2 ")
OR { 7172}
(segid " " and resid "73 " and name "HD21")
(segid " " and resid "73 " and name "HB1 ")
ASSI { 6237}
(segid " " and resid "6 " and name "HG2 ")
(segid " " and resid "6 " and name "HB1 ")
2.300 0.700 0.700 peak 6237 weight 0.10000E+01 volume 0.86000E+00 ppm1 1.358 ppm2 1.385
ASSI { 6889}
(segid " " and resid "43 " and name "HG2 ")
(segid " " and resid "43 " and name "HA ")
5.000 3.100 1.000 peak 6889 weight 0.10000E+01 volume -0.10440E+01 ppm1 1.305 ppm2 3.232
ASSI { 6728}
(segid " " and resid "34 " and name "HG2 ")
(segid " " and resid "34 " and name "HA ")
2.900 1.100 1.100 peak 6728 weight 0.10000E+01 volume 0.45400E+00 ppm1 1.333 ppm2 4.265
ASSI { 6243}
(segid " " and resid "6 " and name "HD1 ")
(segid " " and resid "6 " and name "HB2 ")
2.200 2.200 2.800 peak 6243 weight 0.10000E+01 volume 0.11590E+01 ppm1 1.564 ppm2 1.240
OR { 6243}
(segid " " and resid "6 " and name "HD2 ")
(segid " " and resid "6 " and name "HB2 ")
ASSI { 1079}
(segid " " and resid "1 " and name "HG1 ")
(segid " " and resid "1 " and name "HB1 ")
2.000 0.500 0.500 peak 1079 weight 0.10000E+01 volume 0.17710E+01 ppm1 2.673 ppm2 2.207
OR { 1079}
(segid " " and resid "1 " and name "HG2 ")
(segid " " and resid "1 " and name "HB2 ")
OR { 1079}
(segid " " and resid "1 " and name "HG1 ")
(segid " " and resid "1 " and name "HB2 ")
OR { 1079}
(segid " " and resid "1 " and name "HG2 ")
(segid " " and resid "1 " and name "HB1 ")
ASSI { 3704}
(segid " " and resid "102 " and name "HB1 ")
(segid " " and resid "102 " and name "HE1 ")
5.000 3.100 1.000 peak 3704 weight 0.10000E+01 volume -0.40400E+00 ppm1 1.599 ppm2 2.333
OR { 3704}
(segid " " and resid "102 " and name "HB1 ")
(segid " " and resid "102 " and name "HE2 ")
ASSI { 6563}
(segid " " and resid "93 " and name "HB2 ")
(segid " " and resid "95 " and name "HB1 ")
5.000 3.100 1.000 peak 6563 weight 0.10000E+01 volume -0.81900E+00 ppm1 1.717 ppm2 1.820
ASSI { 6245}
(segid " " and resid "6 " and name "HB1 ")
(segid " " and resid "6 " and name "HG1 ")
2.300 0.700 0.700 peak 6245 weight 0.10000E+01 volume 0.90400E+00 ppm1 1.379 ppm2 1.598
ASSI { 6663}
(segid " " and resid "86 " and name "HB2 ")
(segid " " and resid "86 " and name "HA ")
5.000 3.100 1.000 peak 6663 weight 0.10000E+01 volume -0.97300E+00 ppm1 1.626 ppm2 4.753
ASSI { 6468}
(segid " " and resid "92 " and name "HB2 ")
(segid " " and resid "22 " and name "HA ")
5.000 3.100 1.000 peak 6468 weight 0.10000E+01 volume -0.38500E+00 ppm1 1.581 ppm2 4.344
ASSI { 7453}
(segid " " and resid "10 " and name "HB2 ")
(segid " " and resid "99 " and name "HA ")
3.100 1.200 1.200 peak 7453 weight 0.10000E+01 volume 0.31600E+00 ppm1 1.579 ppm2 4.615
ASSI { 7078}
(segid " " and resid "54 " and name "HB2 ")
(segid " " and resid "54 " and name "HG1 ")
5.000 3.100 1.000 peak 7078 weight 0.10000E+01 volume -0.11930E+01 ppm1 1.461 ppm2 1.340
OR { 7078}
(segid " " and resid "54 " and name "HB2 ")
(segid " " and resid "54 " and name "HG2 ")
ASSI { 7352}
(segid " " and resid "87 " and name "HG1 ")
(segid " " and resid "87 " and name "HG2 ")
2.000 0.500 0.500 peak 7352 weight 0.10000E+01 volume 0.21240E+01 ppm1 2.487 ppm2 2.171
ASSI { 5669}
(segid " " and resid "107 " and name "HB2 ")
(segid " " and resid "1 " and name "HA ")
2.800 1.000 1.000 peak 5669 weight 0.10000E+01 volume 0.49800E+00 ppm1 3.324 ppm2 4.099
ASSI { 5668}
(segid " " and resid "107 " and name "HB1 ")
(segid " " and resid "1 " and name "HA ")
2.900 1.100 1.100 peak 5668 weight 0.10000E+01 volume 0.42800E+00 ppm1 3.474 ppm2 4.105
ASSI { 7405}
(segid " " and resid "90 " and name "HG22")
(segid " " and resid "93 " and name "HD1 ")
5.000 3.100 1.000 peak 7405 weight 0.10000E+01 volume -0.63100E+00 ppm1 1.032 ppm2 3.698
OR { 7405}
(segid " " and resid "90 " and name "HG21")
(segid " " and resid "93 " and name "HD1 ")
OR { 7405}
(segid " " and resid "90 " and name "HG23")
(segid " " and resid "93 " and name "HD1 ")
ASSI { 6526}
(segid " " and resid "93 " and name "HD1 ")
(segid " " and resid "93 " and name "HB1 ")
5.000 3.100 1.000 peak 6526 weight 0.10000E+01 volume -0.37700E+00 ppm1 3.691 ppm2 2.235
ASSI { 6234}
(segid " " and resid "6 " and name "HA ")
(segid " " and resid "6 " and name "HB1 ")
5.000 3.100 1.000 peak 6234 weight 0.10000E+01 volume -0.46500E+00 ppm1 2.898 ppm2 1.385
ASSI { 6437}
(segid " " and resid "90 " and name "HA ")
(segid " " and resid "23 " and name "HB1 ")
2.500 0.800 0.800 peak 6437 weight 0.10000E+01 volume 0.10170E+01 ppm1 4.028 ppm2 3.790
OR { 6437}
(segid " " and resid "90 " and name "HA ")
(segid " " and resid "23 " and name "HB2 ")
ASSI { 6823}
(segid " " and resid "41 " and name "HD12")
(segid " " and resid "39 " and name "HD13")
3.200 1.300 1.300 peak 6823 weight 0.10000E+01 volume 0.14400E+01 ppm1 0.291 ppm2 0.973
OR { 6823}
(segid " " and resid "41 " and name "HD12")
(segid " " and resid "39 " and name "HD11")
OR { 6823}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "39 " and name "HD13")
OR { 6823}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "39 " and name "HD11")
OR { 6823}
(segid " " and resid "41 " and name "HD13")
(segid " " and resid "39 " and name "HD12")
ASSI { 7049}
(segid " " and resid "22 " and name "HD12")
(segid " " and resid "51 " and name "HB2 ")
3.500 1.500 1.500 peak 7049 weight 0.10000E+01 volume 0.24800E+00 ppm1 0.522 ppm2 3.588
OR { 7049}
(segid " " and resid "22 " and name "HD11")
(segid " " and resid "51 " and name "HB2 ")
OR { 7049}
(segid " " and resid "22 " and name "HD13")
(segid " " and resid "51 " and name "HB2 ")
ASSI { 4053}
(segid " " and resid "22 " and name "HD13")
(segid " " and resid "22 " and name "HA ")
3.200 1.300 1.300 peak 4053 weight 0.10000E+01 volume 0.81500E+00 ppm1 0.513 ppm2 4.348
OR { 4053}
(segid " " and resid "22 " and name "HD11")
(segid " " and resid "22 " and name "HA ")
OR { 4053}
(segid " " and resid "22 " and name "HD12")
(segid " " and resid "22 " and name "HA ")
ASSI { 6589}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "27 " and name "HB2 ")
3.700 1.700 1.700 peak 6589 weight 0.10000E+01 volume 0.68500E+00 ppm1 0.674 ppm2 1.396
OR { 6589}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "27 " and name "HB2 ")
OR { 6589}
(segid " " and resid "84 " and name "HD12")
(segid " " and resid "27 " and name "HB1 ")
OR { 6589}
(segid " " and resid "84 " and name "HD11")
(segid " " and resid "27 " and name "HB1 ")
OR { 6589}
(segid " " and resid "84 " and name "HD13")
(segid " " and resid "27 " and name "HB1 ")
ASSI { 6490}
(segid " " and resid "22 " and name "HD11")
(segid " " and resid "22 " and name "HG21")
2.800 1.000 1.000 peak 6490 weight 0.10000E+01 volume 0.31140E+01 ppm1 0.517 ppm2 0.785
OR { 6490}
(segid " " and resid "22 " and name "HD13")
(segid " " and resid "22 " and name "HG23")
OR { 6490}
(segid " " and resid "22 " and name "HD12")
(segid " " and resid "22 " and name "HG21")
OR { 6490}
(segid " " and resid "22 " and name "HD11")
(segid " " and resid "22 " and name "HG23")
OR { 6490}
(segid " " and resid "22 " and name "HD12")
(segid " " and resid "22 " and name "HG23")
ASSI { 6531}
(segid " " and resid "24 " and name "HE1 ")
(segid " " and resid "24 " and name "HG2 ")
2.600 0.800 0.800 peak 6531 weight 0.10000E+01 volume 0.16380E+01 ppm1 1.838 ppm2 2.039
OR { 6531}
(segid " " and resid "24 " and name "HE3 ")
(segid " " and resid "24 " and name "HG2 ")
OR { 6531}
(segid " " and resid "24 " and name "HE2 ")
(segid " " and resid "24 " and name "HG2 ")
ASSI { 6836}
(segid " " and resid "32 " and name "HE3 ")
(segid " " and resid "40 " and name "HG22")
3.300 1.400 1.400 peak 6836 weight 0.10000E+01 volume 0.13010E+01 ppm1 1.968 ppm2 1.238
OR { 6836}
(segid " " and resid "32 " and name "HE2 ")
(segid " " and resid "40 " and name "HG22")
OR { 6836}
(segid " " and resid "32 " and name "HE3 ")
(segid " " and resid "40 " and name "HG21")
OR { 6836}
(segid " " and resid "32 " and name "HE3 ")
(segid " " and resid "40 " and name "HG23")
OR { 6836}
(segid " " and resid "32 " and name "HE2 ")
(segid " " and resid "40 " and name "HG23")
OR { 6836}
(segid " " and resid "32 " and name "HE1 ")
(segid " " and resid "40 " and name "HG23")
ASSI { 6875}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "41 " and name "HD11")
3.500 1.500 1.500 peak 6875 weight 0.10000E+01 volume 0.94600E+00 ppm1 0.794 ppm2 0.292
OR { 6875}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "41 " and name "HD11")
OR { 6875}
(segid " " and resid "84 " and name "HG23")
(segid " " and resid "41 " and name "HD11")
OR { 6875}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "41 " and name "HD12")
OR { 6875}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "41 " and name "HD12")
OR { 6875}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "41 " and name "HD13")
ASSI { 6587}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "27 " and name "HB2 ")
3.700 1.700 1.700 peak 6587 weight 0.10000E+01 volume 0.67600E+00 ppm1 0.797 ppm2 1.396
OR { 6587}
(segid " " and resid "84 " and name "HG23")
(segid " " and resid "27 " and name "HB2 ")
OR { 6587}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "27 " and name "HB2 ")
OR { 6587}
(segid " " and resid "84 " and name "HG21")
(segid " " and resid "27 " and name "HB1 ")
OR { 6587}
(segid " " and resid "84 " and name "HG22")
(segid " " and resid "27 " and name "HB1 ")
OR { 6587}
(segid " " and resid "84 " and name "HG23")
(segid " " and resid "27 " and name "HB1 ")
ASSI { 6877}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "41 " and name "HD13")
2.800 1.000 1.000 peak 6877 weight 0.10000E+01 volume 0.31220E+01 ppm1 0.694 ppm2 0.317
OR { 6877}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "41 " and name "HD11")
OR { 6877}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "41 " and name "HD11")
OR { 6877}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "41 " and name "HD13")
OR { 6877}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "41 " and name "HD11")
OR { 6877}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "41 " and name "HD13")
ASSI { 6940}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "45 " and name "HG1 ")
5.000 3.100 1.000 peak 6940 weight 0.10000E+01 volume -0.60700E+00 ppm1 0.697 ppm2 2.432
OR { 6940}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "45 " and name "HG1 ")
OR { 6940}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "45 " and name "HG1 ")
OR { 6940}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "45 " and name "HG2 ")
OR { 6940}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "45 " and name "HG2 ")
ASSI { 6683}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "31 " and name "HD1 ")
4.400 2.400 1.600 peak 6683 weight 0.10000E+01 volume 0.24100E+00 ppm1 0.693 ppm2 7.384
OR { 6683}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "31 " and name "HD1 ")
OR { 6683}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "31 " and name "HD1 ")
OR { 6683}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "31 " and name "HD2 ")
ASSI { 6848}
(segid " " and resid "41 " and name "HG23")
(segid " " and resid "41 " and name "HB ")
3.300 1.400 1.400 peak 6848 weight 0.10000E+01 volume -0.21580E+01 ppm1 0.695 ppm2 1.489
OR { 6848}
(segid " " and resid "41 " and name "HG21")
(segid " " and resid "41 " and name "HB ")
OR { 6848}
(segid " " and resid "41 " and name "HG22")
(segid " " and resid "41 " and name "HB ")
ASSI { 6543}
(segid " " and resid "85 " and name "HG21")
(segid " " and resid "25 " and name "HA ")
6.000 4.500 0.000 peak 6543 weight 0.10000E+01 volume -0.27800E+00 ppm1 0.842 ppm2 5.289
OR { 6543}
(segid " " and resid "85 " and name "HG23")
(segid " " and resid "25 " and name "HA ")
OR { 6543}
(segid " " and resid "85 " and name "HG22")
(segid " " and resid "25 " and name "HA ")
ASSI { 6761}
(segid " " and resid "33 " and name "HB2 ")
(segid " " and resid "34 " and name "HD1 ")
5.000 3.100 1.000 peak 6761 weight 0.10000E+01 volume -0.65700E+00 ppm1 1.318 ppm2 3.762
OR { 6761}
(segid " " and resid "33 " and name "HB3 ")
(segid " " and resid "34 " and name "HD1 ")
OR { 6761}
(segid " " and resid "33 " and name "HB1 ")
(segid " " and resid "34 " and name "HD1 ")
ASSI { 6773}
(segid " " and resid "33 " and name "HB3 ")
(segid " " and resid "34 " and name "HD2 ")
5.000 3.100 1.000 peak 6773 weight 0.10000E+01 volume -0.71900E+00 ppm1 1.318 ppm2 3.254
OR { 6773}
(segid " " and resid "33 " and name "HB2 ")
(segid " " and resid "34 " and name "HD2 ")
OR { 6773}
(segid " " and resid "33 " and name "HB1 ")
(segid " " and resid "34 " and name "HD2 ")
ASSI { 6729}
(segid " " and resid "33 " and name "HB3 ")
(segid " " and resid "34 " and name "HA ")
3.900 1.900 1.900 peak 6729 weight 0.10000E+01 volume 0.26500E+00 ppm1 1.313 ppm2 4.245
OR { 6729}
(segid " " and resid "33 " and name "HB1 ")
(segid " " and resid "34 " and name "HA ")
OR { 6729}
(segid " " and resid "33 " and name "HB2 ")
(segid " " and resid "34 " and name "HA ")
ASSI { 7426}
(segid " " and resid "96 " and name "HG23")
(segid " " and resid "96 " and name "HB ")
2.100 0.600 0.600 peak 7426 weight 0.10000E+01 volume 0.58260E+01 ppm1 0.698 ppm2 1.614
OR { 7426}
(segid " " and resid "96 " and name "HG13")
(segid " " and resid "96 " and name "HB ")
OR { 7426}
(segid " " and resid "96 " and name "HG21")
(segid " " and resid "96 " and name "HB ")
OR { 7426}
(segid " " and resid "96 " and name "HG22")
(segid " " and resid "96 " and name "HB ")
OR { 7426}
(segid " " and resid "96 " and name "HG12")
(segid " " and resid "96 " and name "HB ")
ASSI { 4108}
(segid " " and resid "7 " and name "HD12")
(segid " " and resid "38 " and name "HE1 ")
3.600 1.600 1.600 peak 4108 weight 0.10000E+01 volume 0.73000E+00 ppm1 0.527 ppm2 6.872
OR { 4108}
(segid " " and resid "7 " and name "HD11")
(segid " " and resid "38 " and name "HE1 ")
OR { 4108}
(segid " " and resid "7 " and name "HD12")
(segid " " and resid "38 " and name "HE2 ")
OR { 4108}
(segid " " and resid "7 " and name "HD11")
(segid " " and resid "38 " and name "HE2 ")
ASSI { 7094}
(segid " " and resid "59 " and name "HD22")
(segid " " and resid "59 " and name "HA ")
3.300 1.400 1.400 peak 7094 weight 0.10000E+01 volume -0.36500E+01 ppm1 0.653 ppm2 3.979
OR { 7094}
(segid " " and resid "59 " and name "HD21")
(segid " " and resid "59 " and name "HA ")
OR { 7094}
(segid " " and resid "59 " and name "HD23")
(segid " " and resid "59 " and name "HA ")
ASSI { 6874}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "41 " and name "HD12")
3.400 1.400 1.400 peak 6874 weight 0.10000E+01 volume 0.10700E+01 ppm1 0.893 ppm2 0.312
OR { 6874}
(segid " " and resid "39 " and name "HD21")
(segid " " and resid "41 " and name "HD12")
OR { 6874}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "41 " and name "HD13")
OR { 6874}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "41 " and name "HD12")
OR { 6874}
(segid " " and resid "39 " and name "HD21")
(segid " " and resid "41 " and name "HD13")
OR { 6874}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "41 " and name "HD13")
ASSI { 7251}
(segid " " and resid "39 " and name "HD22")
(segid " " and resid "80 " and name "HE2 ")
4.500 2.500 1.500 peak 7251 weight 0.10000E+01 volume 0.20200E+00 ppm1 0.901 ppm2 6.959
OR { 7251}
(segid " " and resid "39 " and name "HD23")
(segid " " and resid "80 " and name "HE2 ")
OR { 7251}
(segid " " and resid "39 " and name "HD21")
(segid " " and resid "80 " and name "HE2 ")
ASSI { 6242}
(segid " " and resid "6 " and name "HG1 ")
(segid " " and resid "6 " and name "HB2 ")
2.300 0.700 0.700 peak 6242 weight 0.10000E+01 volume 0.89100E+00 ppm1 1.602 ppm2 1.240
ASSI { 6244}
(segid " " and resid "6 " and name "HG2 ")
(segid " " and resid "6 " and name "HB2 ")
2.400 0.700 0.700 peak 6244 weight 0.10000E+01 volume 0.72300E+00 ppm1 1.354 ppm2 1.240
ASSI { 7116}
(segid " " and resid "39 " and name "HD12")
(segid " " and resid "64 " and name "HB2 ")
3.400 1.400 1.400 peak 7116 weight 0.10000E+01 volume 0.31400E+00 ppm1 0.973 ppm2 3.806
OR { 7116}
(segid " " and resid "39 " and name "HD12")
(segid " " and resid "64 " and name "HB1 ")
OR { 7116}
(segid " " and resid "39 " and name "HD13")
(segid " " and resid "64 " and name "HB2 ")
OR { 7116}
(segid " " and resid "39 " and name "HD11")
(segid " " and resid "64 " and name "HB2 ")
OR { 7116}
(segid " " and resid "39 " and name "HD11")
(segid " " and resid "64 " and name "HB1 ")
ASSI { 7118}
(segid " " and resid "77 " and name "HD13")
(segid " " and resid "64 " and name "HB2 ")
3.300 1.400 1.400 peak 7118 weight 0.10000E+01 volume 0.36300E+00 ppm1 0.526 ppm2 3.809
OR { 7118}
(segid " " and resid "77 " and name "HD12")
(segid " " and resid "64 " and name "HB2 ")
OR { 7118}
(segid " " and resid "77 " and name "HD11")
(segid " " and resid "64 " and name "HB2 ")
OR { 7118}
(segid " " and resid "77 " and name "HD12")
(segid " " and resid "64 " and name "HB1 ")
OR { 7118}
(segid " " and resid "77 " and name "HD13")
(segid " " and resid "64 " and name "HB1 ")
ASSI { 5680}
(segid " " and resid "3 " and name "HG1 ")
(segid " " and resid "2 " and name "HA1 ")
6.000 4.500 0.000 peak 5680 weight 0.10000E+01 volume -0.23400E+00 ppm1 2.032 ppm2 4.374
ASSI { 5457}
(segid " " and resid "41 " and name "HG12")
(segid " " and resid "41 " and name "HG11")
2.000 0.500 0.500 peak 5457 weight 0.10000E+01 volume 0.22670E+01 ppm1 0.773 ppm2 1.448
ASSI { 6847}
(segid " " and resid "41 " and name "HG12")
(segid " " and resid "41 " and name "HB ")
5.000 3.100 1.000 peak 6847 weight 0.10000E+01 volume -0.47800E+00 ppm1 0.766 ppm2 1.495
ASSI { 7274}
(segid " " and resid "81 " and name "HG2 ")
(segid " " and resid "81 " and name "HD2 ")
5.000 3.100 1.000 peak 7274 weight 0.10000E+01 volume -0.46300E+00 ppm1 1.890 ppm2 2.695
OR { 7274}
(segid " " and resid "81 " and name "HG1 ")
(segid " " and resid "81 " and name "HD2 ")
ASSI { 6500}
(segid " " and resid "22 " and name "HG12")
(segid " " and resid "22 " and name "HD13")
2.900 1.100 1.100 peak 6500 weight 0.10000E+01 volume 0.78100E+00 ppm1 0.599 ppm2 0.519
OR { 6500}
(segid " " and resid "22 " and name "HG12")
(segid " " and resid "22 " and name "HD12")
OR { 6500}
(segid " " and resid "22 " and name "HG12")
(segid " " and resid "22 " and name "HD11")
ASSI { 6886}
(segid " " and resid "43 " and name "HB2 ")
(segid " " and resid "43 " and name "HA ")
5.000 3.100 1.000 peak 6886 weight 0.10000E+01 volume -0.10500E+01 ppm1 1.452 ppm2 3.232
ASSI { 6648}
(segid " " and resid "89 " and name "HB2 ")
(segid " " and resid "89 " and name "HG2 ")
2.700 0.900 0.900 peak 6648 weight 0.10000E+01 volume -0.59880E+01 ppm1 1.922 ppm2 2.216
OR { 6648}
(segid " " and resid "89 " and name "HB1 ")
(segid " " and resid "89 " and name "HG2 ")
OR { 6648}
(segid " " and resid "89 " and name "HB2 ")
(segid " " and resid "89 " and name "HG1 ")
OR { 6648}
(segid " " and resid "89 " and name "HB1 ")
(segid " " and resid "89 " and name "HG1 ")
ASSI { 7458}
(segid " " and resid "99 " and name "HB2 ")
(segid " " and resid "99 " and name "HG2 ")
1.800 0.400 0.400 peak 7458 weight 0.10000E+01 volume 0.34430E+01 ppm1 1.826 ppm2 1.613
OR { 7458}
(segid " " and resid "99 " and name "HB2 ")
(segid " " and resid "99 " and name "HG1 ")
ASSI { 7457}
(segid " " and resid "99 " and name "HB1 ")
(segid " " and resid "99 " and name "HG1 ")
1.900 0.500 0.500 peak 7457 weight 0.10000E+01 volume 0.27300E+01 ppm1 1.949 ppm2 1.595
OR { 7457}
(segid " " and resid "99 " and name "HB1 ")
(segid " " and resid "99 " and name "HG2 ")
ASSI { 6406}
(segid " " and resid "16 " and name "HG1 ")
(segid " " and resid "16 " and name "HA ")
2.400 0.700 0.700 peak 6406 weight 0.10000E+01 volume 0.12000E+01 ppm1 2.457 ppm2 3.918
OR { 6406}
(segid " " and resid "16 " and name "HG2 ")
(segid " " and resid "16 " and name "HA ")
ASSI { 7131}
(segid " " and resid "66 " and name "HG2 ")
(segid " " and resid "66 " and name "HA ")
2.200 0.600 0.600 peak 7131 weight 0.10000E+01 volume 0.23610E+01 ppm1 2.355 ppm2 4.418
OR { 7131}
(segid " " and resid "66 " and name "HG1 ")
(segid " " and resid "66 " and name "HA ")
ASSI { 6658}
(segid " " and resid "54 " and name "HB2 ")
(segid " " and resid "54 " and name "HA ")
2.700 0.900 0.900 peak 6658 weight 0.10000E+01 volume 0.60700E+00 ppm1 1.443 ppm2 4.764
ASSI { 7096}
(segid " " and resid "59 " and name "HB2 ")
(segid " " and resid "59 " and name "HD22")
5.000 3.100 1.000 peak 7096 weight 0.10000E+01 volume -0.12130E+01 ppm1 0.946 ppm2 0.653
OR { 7096}
(segid " " and resid "59 " and name "HB1 ")
(segid " " and resid "59 " and name "HD22")
OR { 7096}
(segid " " and resid "59 " and name "HB2 ")
(segid " " and resid "59 " and name "HD21")
OR { 7096}
(segid " " and resid "59 " and name "HB1 ")
(segid " " and resid "59 " and name "HD21")
ASSI { 6783}
(segid " " and resid "36 " and name "HB1 ")
(segid " " and resid "36 " and name "HA ")
2.700 0.900 0.900 peak 6783 weight 0.10000E+01 volume 0.70000E+00 ppm1 3.633 ppm2 4.751
ASSI { 6828}
(segid " " and resid "73 " and name "HB2 ")
(segid " " and resid "39 " and name "HD22")
5.000 3.100 1.000 peak 6828 weight 0.10000E+01 volume -0.46500E+00 ppm1 1.625 ppm2 0.898
OR { 6828}
(segid " " and resid "73 " and name "HB1 ")
(segid " " and resid "39 " and name "HD23")
OR { 6828}
(segid " " and resid "73 " and name "HB2 ")
(segid " " and resid "39 " and name "HD23")
OR { 6828}
(segid " " and resid "73 " and name "HB2 ")
(segid " " and resid "39 " and name "HD21")
ASSI { 6623}
(segid " " and resid "28 " and name "HB1 ")
(segid " " and resid "28 " and name "HD22")
3.300 1.400 1.400 peak 6623 weight 0.10000E+01 volume -0.26760E+01 ppm1 1.612 ppm2 0.783
OR { 6623}
(segid " " and resid "28 " and name "HB2 ")
(segid " " and resid "28 " and name "HD23")
OR { 6623}
(segid " " and resid "28 " and name "HB2 ")
(segid " " and resid "28 " and name "HD22")
OR { 6623}
(segid " " and resid "28 " and name "HB1 ")
(segid " " and resid "28 " and name "HD23")
OR { 6623}
(segid " " and resid "28 " and name "HB2 ")
(segid " " and resid "28 " and name "HD21")
ASSI { 6829}
(segid " " and resid "39 " and name "HB2 ")
(segid " " and resid "39 " and name "HD22")
5.000 3.100 1.000 peak 6829 weight 0.10000E+01 volume -0.87800E+00 ppm1 1.454 ppm2 0.898
OR { 6829}
(segid " " and resid "39 " and name "HB2 ")
(segid " " and resid "39 " and name "HD21")
OR { 6829}
(segid " " and resid "39 " and name "HB2 ")
(segid " " and resid "39 " and name "HD23")
ASSI { 6820}
(segid " " and resid "39 " and name "HB1 ")
(segid " " and resid "39 " and name "HD13")
5.000 3.100 1.000 peak 6820 weight 0.10000E+01 volume -0.97800E+00 ppm1 1.657 ppm2 0.973
OR { 6820}
(segid " " and resid "39 " and name "HB1 ")
(segid " " and resid "39 " and name "HD11")
OR { 6820}
(segid " " and resid "39 " and name "HB1 ")
(segid " " and resid "39 " and name "HD12")
ASSI { 6827}
(segid " " and resid "39 " and name "HB1 ")
(segid " " and resid "39 " and name "HD22")
5.000 3.100 1.000 peak 6827 weight 0.10000E+01 volume -0.10240E+01 ppm1 1.657 ppm2 0.898
OR { 6827}
(segid " " and resid "39 " and name "HB1 ")
(segid " " and resid "39 " and name "HD21")
OR { 6827}
(segid " " and resid "39 " and name "HB1 ")
(segid " " and resid "39 " and name "HD23")
ASSI { 7394}
(segid " " and resid "93 " and name "HD1 ")
(segid " " and resid "93 " and name "HA ")
6.000 4.500 0.000 peak 7394 weight 0.10000E+01 volume -0.26700E+00 ppm1 3.692 ppm2 4.167
ASSI { 6703}
(segid " " and resid "93 " and name "HD1 ")
(segid " " and resid "93 " and name "HB2 ")
5.000 3.100 1.000 peak 6703 weight 0.10000E+01 volume -0.37300E+00 ppm1 3.694 ppm2 1.724
ASSI { 6222}
(segid " " and resid "5 " and name "HD1 ")
(segid " " and resid "5 " and name "HG1 ")
5.000 3.100 1.000 peak 6222 weight 0.10000E+01 volume -0.49300E+00 ppm1 3.853 ppm2 1.997
ASSI { 7281}
(segid " " and resid "83 " and name "HA ")
(segid " " and resid "83 " and name "HB1 ")
3.300 1.400 1.400 peak 7281 weight 0.10000E+01 volume -0.29840E+01 ppm1 4.024 ppm2 3.712
ASSI { 7280}
(segid " " and resid "83 " and name "HA ")
(segid " " and resid "83 " and name "HB2 ")
3.300 1.400 1.400 peak 7280 weight 0.10000E+01 volume -0.29510E+01 ppm1 4.019 ppm2 3.885
ASSI { 7340}
(segid " " and resid "82 " and name "HA ")
(segid " " and resid "85 " and name "HG22")
3.200 1.300 1.300 peak 7340 weight 0.10000E+01 volume 0.89500E+00 ppm1 2.873 ppm2 0.850
OR { 7340}
(segid " " and resid "82 " and name "HA ")
(segid " " and resid "85 " and name "HG23")
OR { 7340}
(segid " " and resid "82 " and name "HA ")
(segid " " and resid "85 " and name "HG21")
ASSI { 6438}
(segid " " and resid "19 " and name "HB1 ")
(segid " " and resid "19 " and name "HB2 ")
1.800 0.400 0.400 peak 6438 weight 0.10000E+01 volume 0.31700E+01 ppm1 3.509 ppm2 3.790
ASSI { 6502}
(segid " " and resid "90 " and name "HB ")
(segid " " and resid "23 " and name "HA ")
5.000 3.100 1.000 peak 6502 weight 0.10000E+01 volume -0.45800E+00 ppm1 4.007 ppm2 4.931
ASSI { 6064}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "84 " and name "HG11")
3.600 1.600 1.600 peak 6064 weight 0.10000E+01 volume 0.33200E+00 ppm1 7.516 ppm2 1.615
ASSI { 5917}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "53 " and name "HD22")
6.000 4.500 0.000 peak 5917 weight 0.10000E+01 volume -0.15900E+00 ppm1 7.953 ppm2 0.791
OR { 5917}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "53 " and name "HD23")
OR { 5917}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "53 " and name "HD21")
ASSI { 6157}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "98 " and name "HB ")
3.200 1.300 1.300 peak 6157 weight 0.10000E+01 volume 0.72900E+00 ppm1 8.516 ppm2 1.906
ASSI { 6091}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "25 " and name "HB2 ")
5.000 3.100 1.000 peak 6091 weight 0.10000E+01 volume -0.97800E+00 ppm1 9.044 ppm2 1.198
OR { 6091}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "25 " and name "HB1 ")
OR { 6091}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "25 " and name "HB3 ")
ASSI { 6085}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "85 " and name "HG21")
5.000 3.100 1.000 peak 6085 weight 0.10000E+01 volume -0.32600E+00 ppm1 9.360 ppm2 0.859
OR { 6085}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "85 " and name "HG22")
OR { 6085}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "85 " and name "HG23")
ASSI { 5944}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "47 " and name "HG11")
6.000 4.500 0.000 peak 5944 weight 0.10000E+01 volume 0.29600E+00 ppm1 9.420 ppm2 0.438
OR { 5944}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "47 " and name "HG12")
OR { 5944}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "47 " and name "HG13")
ASSI { 2245}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "91 " and name "HD11")
6.000 4.500 0.000 peak 2245 weight 0.10000E+01 volume -0.27300E+00 ppm1 8.570 ppm2 0.799
OR { 2245}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "91 " and name "HD12")
OR { 2245}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "91 " and name "HD13")
ASSI { 1670}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "53 " and name "HD13")
5.000 3.100 1.000 peak 1670 weight 0.10000E+01 volume -0.32200E+00 ppm1 8.894 ppm2 0.894
OR { 1670}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "53 " and name "HD11")
OR { 1670}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "53 " and name "HD12")
ASSI { 1201}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "3 " and name "HB2 ")
5.000 3.100 1.000 peak 1201 weight 0.10000E+01 volume -0.63200E+00 ppm1 7.933 ppm2 1.855
ASSI { 5789}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "29 " and name "HA ")
6.000 4.500 0.000 peak 5789 weight 0.10000E+01 volume 0.27200E+00 ppm1 8.995 ppm2 4.542
ASSI { 5889}
(segid " " and resid "56 " and name "HN ")
(segid " " and resid "56 " and name "HD1 ")
3.200 1.300 1.300 peak 5889 weight 0.10000E+01 volume 0.66700E+00 ppm1 9.143 ppm2 3.184
OR { 5889}
(segid " " and resid "56 " and name "HN ")
(segid " " and resid "56 " and name "HD2 ")
ASSI { 6017}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "77 " and name "HG ")
3.700 1.700 1.700 peak 6017 weight 0.10000E+01 volume 0.29300E+00 ppm1 8.805 ppm2 1.296
ASSI { 1176}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "1 " and name "HB1 ")
2.900 1.100 1.100 peak 1176 weight 0.10000E+01 volume 0.12130E+01 ppm1 8.708 ppm2 2.207
OR { 1176}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "1 " and name "HB2 ")
ASSI { 5907}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "58 " and name "HB2 ")
2.700 2.700 2.300 peak 5907 weight 0.10000E+01 volume 0.20690E+01 ppm1 7.327 ppm2 1.931
ASSI { 5904}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "58 " and name "HA ")
3.300 1.400 1.400 peak 5904 weight 0.10000E+01 volume -0.32250E+01 ppm1 7.327 ppm2 4.299
ASSI { 5928}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "53 " and name "HD22")
5.000 3.100 1.000 peak 5928 weight 0.10000E+01 volume -0.37900E+00 ppm1 8.670 ppm2 0.801
OR { 5928}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "53 " and name "HD23")
OR { 5928}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "53 " and name "HD21")
ASSI { 6076}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "85 " and name "HG12")
5.000 3.100 1.000 peak 6076 weight 0.10000E+01 volume -0.89400E+00 ppm1 8.598 ppm2 0.494
OR { 6076}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "85 " and name "HG13")
OR { 6076}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "85 " and name "HG11")
ASSI { 5914}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "58 " and name "HG1 ")
5.000 3.100 1.000 peak 5914 weight 0.10000E+01 volume -0.72000E+00 ppm1 7.951 ppm2 1.736
ASSI { 5871}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "8 " and name "HB2 ")
5.000 3.100 1.000 peak 5871 weight 0.10000E+01 volume -0.51900E+00 ppm1 8.293 ppm2 1.729
OR { 5871}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "8 " and name "HB3 ")
OR { 5871}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "8 " and name "HB1 ")
ASSI { 5753}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "39 " and name "HG ")
5.000 3.100 1.000 peak 5753 weight 0.10000E+01 volume -0.53900E+00 ppm1 9.144 ppm2 1.583
ASSI { 5785}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "41 " and name "HG11")
5.000 3.100 1.000 peak 5785 weight 0.10000E+01 volume -0.32600E+00 ppm1 8.756 ppm2 1.431
ASSI { 5812}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "45 " and name "HB2 ")
5.000 3.100 1.000 peak 5812 weight 0.10000E+01 volume -0.87500E+00 ppm1 8.386 ppm2 1.951
ASSI { 6158}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "99 " and name "HD2 ")
5.000 3.100 1.000 peak 6158 weight 0.10000E+01 volume -0.71400E+00 ppm1 8.515 ppm2 1.760
OR { 6158}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "99 " and name "HD1 ")
ASSI { 5832}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "24 " and name "HA ")
6.000 4.500 0.000 peak 5832 weight 0.10000E+01 volume 0.54000E+00 ppm1 8.971 ppm2 4.903
ASSI { 4051}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "28 " and name "HD13")
5.000 3.100 1.000 peak 4051 weight 0.10000E+01 volume -0.74300E+00 ppm1 9.750 ppm2 0.798
OR { 4051}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "28 " and name "HD11")
OR { 4051}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "28 " and name "HD12")
ASSI { 3717}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "28 " and name "HG ")
5.000 3.100 1.000 peak 3717 weight 0.10000E+01 volume -0.82200E+00 ppm1 9.750 ppm2 1.579
ASSI { 2234}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "91 " and name "HD21")
6.000 4.500 0.000 peak 2234 weight 0.10000E+01 volume 0.26900E+00 ppm1 7.629 ppm2 0.760
OR { 2234}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "91 " and name "HD23")
OR { 2234}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "91 " and name "HD22")
ASSI { 184}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "106 " and name "HE2 ")
6.000 4.500 0.000 peak 184 weight 0.10000E+01 volume 0.22300E+00 ppm1 8.708 ppm2 6.696
ASSI { 1452}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "6 " and name "HD1 ")
3.800 1.800 1.800 peak 1452 weight 0.10000E+01 volume 0.27200E+00 ppm1 6.580 ppm2 1.612
OR { 1452}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "6 " and name "HD2 ")
ASSI { 2194}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "28 " and name "HD13")
6.000 4.500 0.000 peak 2194 weight 0.10000E+01 volume 0.67500E+00 ppm1 7.415 ppm2 0.773
OR { 2194}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "28 " and name "HD11")
OR { 2194}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "28 " and name "HD12")
ASSI { 5803}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "43 " and name "HG2 ")
3.200 1.300 1.300 peak 5803 weight 0.10000E+01 volume 0.77700E+00 ppm1 8.820 ppm2 1.407
OR { 5803}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "43 " and name "HG1 ")
ASSI { 5880}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "54 " and name "HB1 ")
5.000 3.100 1.000 peak 5880 weight 0.10000E+01 volume -0.56100E+00 ppm1 7.433 ppm2 1.923
ASSI { 2246}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "91 " and name "HD21")
5.000 3.100 1.000 peak 2246 weight 0.10000E+01 volume -0.43300E+00 ppm1 8.564 ppm2 0.768
OR { 2246}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "91 " and name "HD22")
OR { 2246}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "91 " and name "HD23")
ASSI { 6099}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "25 " and name "HB2 ")
6.000 4.500 0.000 peak 6099 weight 0.10000E+01 volume -0.27900E+00 ppm1 7.662 ppm2 1.194
OR { 6099}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "25 " and name "HB1 ")
OR { 6099}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "25 " and name "HB3 ")
ASSI { 6005}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "76 " and name "HG1 ")
5.000 3.100 1.000 peak 6005 weight 0.10000E+01 volume -0.15540E+01 ppm1 7.892 ppm2 1.551
OR { 6005}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "76 " and name "HG2 ")
ASSI { 6118}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "91 " and name "HD12")
5.000 3.100 1.000 peak 6118 weight 0.10000E+01 volume -0.60000E+00 ppm1 8.175 ppm2 0.780
OR { 6118}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "91 " and name "HD13")
OR { 6118}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "91 " and name "HD11")
ASSI { 6172}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "101 " and name "HB1 ")
3.600 1.600 1.600 peak 6172 weight 0.10000E+01 volume 0.35600E+00 ppm1 9.120 ppm2 2.985
ASSI { 6120}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "91 " and name "HD21")
5.000 3.100 1.000 peak 6120 weight 0.10000E+01 volume -0.62800E+00 ppm1 8.173 ppm2 0.757
OR { 6120}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "91 " and name "HD23")
OR { 6120}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "91 " and name "HD22")
ASSI { 2845}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "41 " and name "HG12")
6.000 4.500 0.000 peak 2845 weight 0.10000E+01 volume -0.19100E+00 ppm1 8.758 ppm2 0.781
ASSI { 5836}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "48 " and name "HB1 ")
3.900 1.900 1.900 peak 5836 weight 0.10000E+01 volume 0.21700E+00 ppm1 8.974 ppm2 2.450
ASSI { 5826}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "47 " and name "HA ")
5.000 3.100 1.000 peak 5826 weight 0.10000E+01 volume -0.38700E+00 ppm1 8.997 ppm2 4.532
ASSI { 6089}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "87 " and name "HG1 ")
3.900 1.900 1.900 peak 6089 weight 0.10000E+01 volume 0.21600E+00 ppm1 9.048 ppm2 2.497
ASSI { 6088}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "87 " and name "HB2 ")
5.000 3.100 1.000 peak 6088 weight 0.10000E+01 volume -0.79000E+00 ppm1 9.044 ppm2 2.106
OR { 6088}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "87 " and name "HB1 ")
ASSI { 2381}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "26 " and name "HG11")
5.000 3.100 1.000 peak 2381 weight 0.10000E+01 volume -0.10080E+01 ppm1 8.810 ppm2 0.846
OR { 2381}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "26 " and name "HG13")
OR { 2381}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "26 " and name "HG12")
ASSI { 5765}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "31 " and name "HD1 ")
5.000 3.100 1.000 peak 5765 weight 0.10000E+01 volume -0.54000E+00 ppm1 9.123 ppm2 7.396
ASSI { 6083}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "86 " and name "HG1 ")
5.000 3.100 1.000 peak 6083 weight 0.10000E+01 volume -0.56800E+00 ppm1 9.363 ppm2 1.674
ASSI { 3371}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "86 " and name "HB1 ")
5.000 3.100 1.000 peak 3371 weight 0.10000E+01 volume -0.34900E+00 ppm1 9.365 ppm2 1.832
ASSI { 2276}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "24 " and name "HG2 ")
5.000 3.100 1.000 peak 2276 weight 0.10000E+01 volume -0.53100E+00 ppm1 9.439 ppm2 2.000
ASSI { 5903}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "56 " and name "HB2 ")
3.100 1.200 1.200 peak 5903 weight 0.10000E+01 volume 0.80900E+00 ppm1 7.737 ppm2 1.957
OR { 5903}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "56 " and name "HB1 ")
ASSI { 5721}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "34 " and name "HB2 ")
3.200 1.300 1.300 peak 5721 weight 0.10000E+01 volume 0.78400E+00 ppm1 7.412 ppm2 1.683
ASSI { 2230}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "14 " and name "HB1 ")
6.000 4.500 0.000 peak 2230 weight 0.10000E+01 volume 0.19600E+00 ppm1 7.626 ppm2 1.268
OR { 2230}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "14 " and name "HB3 ")
OR { 2230}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "14 " and name "HB2 ")
ASSI { 2235}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "49 " and name "HG13")
6.000 4.500 0.000 peak 2235 weight 0.10000E+01 volume 0.72300E+00 ppm1 7.625 ppm2 0.715
OR { 2235}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "49 " and name "HG11")
OR { 2235}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "49 " and name "HG12")
ASSI { 6048}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "81 " and name "HG2 ")
3.600 1.600 1.600 peak 6048 weight 0.10000E+01 volume 0.34700E+00 ppm1 7.668 ppm2 1.915
OR { 6048}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "81 " and name "HG1 ")
ASSI { 5881}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "8 " and name "HB2 ")
5.800 4.200 0.200 peak 5881 weight 0.10000E+01 volume 0.11720E+01 ppm1 7.431 ppm2 1.700
OR { 5881}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "8 " and name "HB1 ")
OR { 5881}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "8 " and name "HB3 ")
ASSI { 5906}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "58 " and name "HB1 ")
2.700 0.900 0.900 peak 5906 weight 0.10000E+01 volume 0.19920E+01 ppm1 7.327 ppm2 2.108
ASSI { 5909}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "58 " and name "HG2 ")
2.900 2.900 2.100 peak 5909 weight 0.10000E+01 volume 0.12030E+01 ppm1 7.336 ppm2 1.384
ASSI { 5925}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "59 " and name "HG ")
5.000 3.100 1.000 peak 5925 weight 0.10000E+01 volume -0.33000E+00 ppm1 8.664 ppm2 1.289
ASSI { 6178}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "101 " and name "HB2 ")
2.800 1.000 1.000 peak 6178 weight 0.10000E+01 volume 0.14780E+01 ppm1 8.496 ppm2 2.627
ASSI { 6181}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "102 " and name "HD2 ")
5.000 3.100 1.000 peak 6181 weight 0.10000E+01 volume -0.35900E+00 ppm1 8.493 ppm2 1.258
OR { 6181}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "102 " and name "HD1 ")
ASSI { 1531}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "8 " and name "HB1 ")
5.000 3.100 1.000 peak 1531 weight 0.10000E+01 volume -0.19890E+01 ppm1 7.819 ppm2 1.706
OR { 1531}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "8 " and name "HB2 ")
OR { 1531}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "8 " and name "HB3 ")
ASSI { 6003}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "75 " and name "HA ")
6.000 4.500 0.000 peak 6003 weight 0.10000E+01 volume 0.40730E+01 ppm1 7.892 ppm2 4.179
ASSI { 5984}
(segid " " and resid "69 " and name "HN ")
(segid " " and resid "68 " and name "HB1 ")
2.900 1.100 1.100 peak 5984 weight 0.10000E+01 volume 0.13630E+01 ppm1 7.924 ppm2 2.639
OR { 5984}
(segid " " and resid "69 " and name "HN ")
(segid " " and resid "68 " and name "HB2 ")
ASSI { 1938}
(segid " " and resid "18 " and name "HN ")
(segid " " and resid "13 " and name "HB2 ")
3.700 1.700 1.700 peak 1938 weight 0.10000E+01 volume 0.28500E+00 ppm1 8.437 ppm2 3.373
ASSI { 1653}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "54 " and name "HG1 ")
6.000 4.500 0.000 peak 1653 weight 0.10000E+01 volume -0.26100E+00 ppm1 8.887 ppm2 1.337
OR { 1653}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "54 " and name "HG2 ")
ASSI { 2057}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "19 " and name "HA ")
6.000 4.500 0.000 peak 2057 weight 0.10000E+01 volume 0.66500E+00 ppm1 8.166 ppm2 4.365
ASSI { 6127}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "95 " and name "HD2 ")
6.000 4.500 0.000 peak 6127 weight 0.10000E+01 volume -0.26900E+00 ppm1 7.511 ppm2 1.647
OR { 6127}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "95 " and name "HD1 ")
ASSI { 5912}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "58 " and name "HD2 ")
3.500 1.500 1.500 peak 5912 weight 0.10000E+01 volume 0.40300E+00 ppm1 7.951 ppm2 3.208
OR { 5912}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "58 " and name "HD1 ")
ASSI { 6174}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "100 " and name "HG23")
5.000 3.100 1.000 peak 6174 weight 0.10000E+01 volume -0.71100E+00 ppm1 9.124 ppm2 0.954
OR { 6174}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "100 " and name "HG21")
OR { 6174}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "100 " and name "HG22")
ASSI { 5993}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "73 " and name "HG ")
5.000 3.100 1.000 peak 5993 weight 0.10000E+01 volume -0.14490E+01 ppm1 8.108 ppm2 1.561
ASSI { 5795}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "43 " and name "HG1 ")
5.000 3.100 1.000 peak 5795 weight 0.10000E+01 volume -0.10910E+01 ppm1 8.999 ppm2 1.445
ASSI { 6135}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "95 " and name "HB2 ")
3.400 1.400 1.400 peak 6135 weight 0.10000E+01 volume 0.48300E+00 ppm1 8.544 ppm2 1.707
ASSI { 6137}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "95 " and name "HG1 ")
6.000 4.500 0.000 peak 6137 weight 0.10000E+01 volume -0.28100E+00 ppm1 8.546 ppm2 1.266
OR { 6137}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "95 " and name "HG2 ")
ASSI { 5837}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "21 " and name "HB1 ")
6.000 4.500 0.000 peak 5837 weight 0.10000E+01 volume -0.23700E+00 ppm1 8.969 ppm2 1.496
ASSI { 5828}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "46 " and name "HB ")
6.000 4.500 0.000 peak 5828 weight 0.10000E+01 volume -0.27800E+00 ppm1 8.995 ppm2 1.888
ASSI { 3398}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "25 " and name "HA ")
6.000 4.500 0.000 peak 3398 weight 0.10000E+01 volume 0.16250E+01 ppm1 9.045 ppm2 5.289
ASSI { 6090}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "87 " and name "HG2 ")
3.700 1.700 1.700 peak 6090 weight 0.10000E+01 volume 0.30400E+00 ppm1 9.044 ppm2 2.148
ASSI { 2193}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "28 " and name "HD22")
6.000 4.500 0.000 peak 2193 weight 0.10000E+01 volume 0.48200E+00 ppm1 7.416 ppm2 0.785
OR { 2193}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "28 " and name "HD23")
OR { 2193}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "28 " and name "HD21")
ASSI { 5891}
(segid " " and resid "56 " and name "HN ")
(segid " " and resid "56 " and name "HB2 ")
5.000 3.100 1.000 peak 5891 weight 0.10000E+01 volume -0.53500E+00 ppm1 9.144 ppm2 1.856
ASSI { 5767}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "32 " and name "HA ")
6.000 4.500 0.000 peak 5767 weight 0.10000E+01 volume 0.46700E+00 ppm1 9.120 ppm2 4.495
ASSI { 6081}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "87 " and name "HB1 ")
3.300 1.400 1.400 peak 6081 weight 0.10000E+01 volume -0.32280E+01 ppm1 9.362 ppm2 2.104
ASSI { 6082}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "86 " and name "HB2 ")
5.000 3.100 1.000 peak 6082 weight 0.10000E+01 volume -0.31100E+00 ppm1 9.362 ppm2 1.664
ASSI { 2285}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "46 " and name "HG12")
5.000 3.100 1.000 peak 2285 weight 0.10000E+01 volume -0.53500E+00 ppm1 9.435 ppm2 0.694
OR { 2285}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "46 " and name "HG11")
OR { 2285}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "46 " and name "HG13")
ASSI { 2277}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "24 " and name "HB2 ")
3.100 1.200 1.200 peak 2277 weight 0.10000E+01 volume 0.79400E+00 ppm1 9.442 ppm2 1.950
ASSI { 6145}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "12 " and name "HD21")
5.000 3.100 1.000 peak 6145 weight 0.10000E+01 volume -0.38400E+00 ppm1 8.367 ppm2 0.717
OR { 6145}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "12 " and name "HD22")
OR { 6145}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "12 " and name "HD23")
ASSI { 2215}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "22 " and name "HG11")
4.100 2.100 1.900 peak 2215 weight 0.10000E+01 volume 0.17200E+00 ppm1 7.624 ppm2 1.784
ASSI { 2228}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "21 " and name "HB1 ")
3.700 1.700 1.700 peak 2228 weight 0.10000E+01 volume 0.27700E+00 ppm1 7.625 ppm2 1.501
ASSI { 3457}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "93 " and name "HB1 ")
3.000 1.100 1.100 peak 3457 weight 0.10000E+01 volume 0.95600E+00 ppm1 8.502 ppm2 2.254
ASSI { 3464}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "22 " and name "HD13")
6.000 4.500 0.000 peak 3464 weight 0.10000E+01 volume 0.31100E+00 ppm1 8.507 ppm2 0.498
OR { 3464}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "22 " and name "HD11")
OR { 3464}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "22 " and name "HD12")
ASSI { 1790}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "18 " and name "HA ")
5.000 3.100 1.000 peak 1790 weight 0.10000E+01 volume -0.66700E+00 ppm1 7.602 ppm2 4.739
ASSI { 1819}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "96 " and name "HB ")
3.600 1.600 1.600 peak 1819 weight 0.10000E+01 volume 0.36000E+00 ppm1 7.608 ppm2 1.615
ASSI { 5893}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "54 " and name "HA ")
5.000 3.100 1.000 peak 5893 weight 0.10000E+01 volume -0.16390E+01 ppm1 9.141 ppm2 4.750
ASSI { 182}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "107 " and name "HA ")
6.000 4.500 0.000 peak 182 weight 0.10000E+01 volume -0.20100E+00 ppm1 8.708 ppm2 4.790
ASSI { 5958}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "48 " and name "HB2 ")
6.000 4.500 0.000 peak 5958 weight 0.10000E+01 volume -0.16700E+00 ppm1 9.081 ppm2 3.158
ASSI { 2185}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "28 " and name "HA ")
5.000 3.100 1.000 peak 2185 weight 0.10000E+01 volume -0.89400E+00 ppm1 7.422 ppm2 4.271
ASSI { 2188}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "29 " and name "HG2 ")
3.200 1.300 1.300 peak 2188 weight 0.10000E+01 volume 0.67200E+00 ppm1 7.416 ppm2 1.886
OR { 2188}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "29 " and name "HG1 ")
OR { 2188}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "29 " and name "HB2 ")
ASSI { 6049}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "81 " and name "HB2 ")
3.800 1.800 1.800 peak 6049 weight 0.10000E+01 volume 0.27100E+00 ppm1 7.669 ppm2 1.827
ASSI { 6047}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "81 " and name "HB1 ")
3.400 1.400 1.400 peak 6047 weight 0.10000E+01 volume 0.53600E+00 ppm1 7.669 ppm2 2.073
ASSI { 5801}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "43 " and name "HB2 ")
3.500 1.500 1.500 peak 5801 weight 0.10000E+01 volume 0.41300E+00 ppm1 8.817 ppm2 1.425
ASSI { 6054}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "84 " and name "HB ")
5.000 3.100 1.000 peak 6054 weight 0.10000E+01 volume -0.66700E+00 ppm1 7.262 ppm2 2.114
ASSI { 5878}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "53 " and name "HA ")
5.000 3.100 1.000 peak 5878 weight 0.10000E+01 volume -0.14100E+01 ppm1 7.423 ppm2 4.363
ASSI { 5924}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "60 " and name "HB2 ")
3.000 1.100 1.100 peak 5924 weight 0.10000E+01 volume 0.10630E+01 ppm1 8.663 ppm2 2.977
ASSI { 2237}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "24 " and name "HA ")
6.000 4.500 0.000 peak 2237 weight 0.10000E+01 volume 0.40300E+00 ppm1 8.561 ppm2 4.914
ASSI { 4867}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "43 " and name "HD1 ")
3.200 1.300 1.300 peak 4867 weight 0.10000E+01 volume 0.65200E+00 ppm1 8.302 ppm2 3.194
OR { 4867}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "43 " and name "HD2 ")
ASSI { 6026}
(segid " " and resid "79 " and name "HN ")
(segid " " and resid "79 " and name "HB1 ")
4.000 2.000 2.000 peak 6026 weight 0.10000E+01 volume 0.18400E+00 ppm1 8.497 ppm2 2.673
ASSI { 6095}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "87 " and name "HA ")
6.000 4.500 0.000 peak 6095 weight 0.10000E+01 volume 0.99400E+00 ppm1 7.661 ppm2 4.230
ASSI { 1848}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "15 " and name "HB2 ")
2.700 0.900 0.900 peak 1848 weight 0.10000E+01 volume 0.19110E+01 ppm1 9.001 ppm2 2.782
ASSI { 1746}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "96 " and name "HG13")
5.000 3.100 1.000 peak 1746 weight 0.10000E+01 volume -0.64300E+00 ppm1 9.174 ppm2 0.717
OR { 1746}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "96 " and name "HG23")
OR { 1746}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "96 " and name "HG12")
OR { 1746}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "96 " and name "HG11")
OR { 1746}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "96 " and name "HG22")
ASSI { 1724}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "12 " and name "HG ")
6.000 4.500 0.000 peak 1724 weight 0.10000E+01 volume -0.26500E+00 ppm1 9.181 ppm2 1.316
ASSI { 1752}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "12 " and name "HD12")
5.000 3.100 1.000 peak 1752 weight 0.10000E+01 volume -0.54700E+00 ppm1 9.174 ppm2 0.800
OR { 1752}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "12 " and name "HD13")
OR { 1752}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "12 " and name "HD11")
ASSI { 6191}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "102 " and name "HA ")
6.000 4.500 0.000 peak 6191 weight 0.10000E+01 volume 0.22100E+00 ppm1 7.656 ppm2 4.003
ASSI { 1238}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "5 " and name "HB2 ")
5.000 3.100 1.000 peak 1238 weight 0.10000E+01 volume -0.97800E+00 ppm1 8.277 ppm2 1.499
ASSI { 1539}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "100 " and name "HG22")
5.000 3.100 1.000 peak 1539 weight 0.10000E+01 volume -0.45400E+00 ppm1 7.820 ppm2 0.947
OR { 1539}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "100 " and name "HG23")
OR { 1539}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "100 " and name "HG21")
ASSI { 6071}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "86 " and name "HB1 ")
5.000 3.100 1.000 peak 6071 weight 0.10000E+01 volume -0.68200E+00 ppm1 8.607 ppm2 1.818
ASSI { 6070}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "85 " and name "HB ")
2.800 1.000 1.000 peak 6070 weight 0.10000E+01 volume 0.14650E+01 ppm1 8.605 ppm2 1.813
ASSI { 1681}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HD21")
5.000 3.100 1.000 peak 1681 weight 0.10000E+01 volume -0.39400E+00 ppm1 8.887 ppm2 0.716
OR { 1681}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HD22")
OR { 1681}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HD23")
ASSI { 1641}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HG ")
5.000 3.100 1.000 peak 1641 weight 0.10000E+01 volume -0.50400E+00 ppm1 8.887 ppm2 1.338
ASSI { 5861}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "12 " and name "HB1 ")
3.500 1.500 1.500 peak 5861 weight 0.10000E+01 volume 0.39000E+00 ppm1 8.614 ppm2 1.354
ASSI { 5859}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "52 " and name "HB1 ")
3.800 1.800 1.800 peak 5859 weight 0.10000E+01 volume 0.27500E+00 ppm1 8.614 ppm2 1.663
ASSI { 2179}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "14 " and name "HB1 ")
6.000 4.500 0.000 peak 2179 weight 0.10000E+01 volume -0.23500E+00 ppm1 9.130 ppm2 1.236
OR { 2179}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "14 " and name "HB3 ")
OR { 2179}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "14 " and name "HB2 ")
ASSI { 6126}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "95 " and name "HB2 ")
2.800 1.000 1.000 peak 6126 weight 0.10000E+01 volume 0.14600E+01 ppm1 7.513 ppm2 1.701
ASSI { 5918}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "59 " and name "HD12")
5.000 3.100 1.000 peak 5918 weight 0.10000E+01 volume -0.78000E+00 ppm1 7.951 ppm2 0.741
OR { 5918}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "59 " and name "HD13")
OR { 5918}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "59 " and name "HD11")
ASSI { 3228}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "91 " and name "HG ")
5.000 3.100 1.000 peak 3228 weight 0.10000E+01 volume -0.43300E+00 ppm1 8.174 ppm2 1.456
ASSI { 6117}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "91 " and name "HB1 ")
2.800 1.000 1.000 peak 6117 weight 0.10000E+01 volume 0.17410E+01 ppm1 8.174 ppm2 1.490
ASSI { 6170}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "100 " and name "HB ")
5.000 3.100 1.000 peak 6170 weight 0.10000E+01 volume -0.10750E+01 ppm1 9.131 ppm2 4.611
ASSI { 1197}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "3 " and name "HB1 ")
5.000 3.100 1.000 peak 1197 weight 0.10000E+01 volume -0.57700E+00 ppm1 7.940 ppm2 2.126
ASSI { 1200}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "3 " and name "HG1 ")
5.000 3.100 1.000 peak 1200 weight 0.10000E+01 volume -0.30800E+00 ppm1 7.933 ppm2 2.004
OR { 1200}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "3 " and name "HG2 ")
ASSI { 5749}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "39 " and name "HA ")
6.000 4.500 0.000 peak 5749 weight 0.10000E+01 volume 0.32500E+00 ppm1 9.144 ppm2 4.641
ASSI { 5990}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "72 " and name "HA ")
6.000 4.500 0.000 peak 5990 weight 0.10000E+01 volume 0.28620E+01 ppm1 8.108 ppm2 4.596
ASSI { 5734}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "37 " and name "HG1 ")
5.000 3.100 1.000 peak 5734 weight 0.10000E+01 volume -0.34200E+00 ppm1 9.333 ppm2 1.892
ASSI { 5790}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "43 " and name "HD2 ")
3.500 1.500 1.500 peak 5790 weight 0.10000E+01 volume 0.39600E+00 ppm1 8.994 ppm2 3.188
OR { 5790}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "43 " and name "HD1 ")
ASSI { 5796}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "43 " and name "HG2 ")
5.000 3.100 1.000 peak 5796 weight 0.10000E+01 volume -0.67100E+00 ppm1 8.995 ppm2 1.310
ASSI { 6039}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "81 " and name "HG1 ")
6.000 4.500 0.000 peak 6039 weight 0.10000E+01 volume -0.29600E+00 ppm1 8.660 ppm2 1.908
OR { 6039}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "81 " and name "HG2 ")
ASSI { 6034}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "60 " and name "HD1 ")
6.000 4.500 0.000 peak 6034 weight 0.10000E+01 volume -0.29700E+00 ppm1 8.661 ppm2 7.043
OR { 6034}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "60 " and name "HD2 ")
ASSI { 5784}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "27 " and name "HB3 ")
6.000 4.500 0.000 peak 5784 weight 0.10000E+01 volume -0.25400E+00 ppm1 8.756 ppm2 1.433
OR { 5784}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "27 " and name "HB2 ")
OR { 5784}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "27 " and name "HB1 ")
ASSI { 5783}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "41 " and name "HB ")
3.600 1.600 1.600 peak 5783 weight 0.10000E+01 volume 0.36500E+00 ppm1 8.756 ppm2 1.496
ASSI { 5995}
(segid " " and resid "74 " and name "HN ")
(segid " " and resid "73 " and name "HA ")
6.000 4.500 0.000 peak 5995 weight 0.10000E+01 volume 0.28820E+01 ppm1 8.092 ppm2 4.233
ASSI { 2033}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "107 " and name "HB2 ")
2.800 1.000 1.000 peak 2033 weight 0.10000E+01 volume 0.14930E+01 ppm1 8.234 ppm2 3.299
ASSI { 2027}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "107 " and name "HB1 ")
3.000 1.100 1.100 peak 2027 weight 0.10000E+01 volume 0.11150E+01 ppm1 8.238 ppm2 3.469
ASSI { 6012}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "77 " and name "HG ")
5.000 3.100 1.000 peak 6012 weight 0.10000E+01 volume -0.61900E+00 ppm1 8.157 ppm2 1.283
ASSI { 5835}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "49 " and name "HB ")
5.000 3.100 1.000 peak 5835 weight 0.10000E+01 volume -0.10330E+01 ppm1 8.971 ppm2 2.507
ASSI { 5825}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "26 " and name "HA ")
5.000 3.100 1.000 peak 5825 weight 0.10000E+01 volume -0.74000E+00 ppm1 9.000 ppm2 4.833
ASSI { 5886}
(segid " " and resid "56 " and name "HN ")
(segid " " and resid "56 " and name "HA ")
6.000 4.500 0.000 peak 5886 weight 0.10000E+01 volume 0.14540E+01 ppm1 9.144 ppm2 4.308
ASSI { 6079}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "87 " and name "HG1 ")
3.100 1.200 1.200 peak 6079 weight 0.10000E+01 volume 0.93200E+00 ppm1 9.362 ppm2 2.505
ASSI { 6080}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "87 " and name "HG2 ")
3.100 1.200 1.200 peak 6080 weight 0.10000E+01 volume 0.85200E+00 ppm1 9.362 ppm2 2.164
ASSI { 5770}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "41 " and name "HG11")
5.000 3.100 1.000 peak 5770 weight 0.10000E+01 volume -0.46700E+00 ppm1 9.118 ppm2 1.435
ASSI { 2272}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "24 " and name "HG1 ")
5.000 3.100 1.000 peak 2272 weight 0.10000E+01 volume -0.32300E+00 ppm1 9.433 ppm2 2.182
ASSI { 2271}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "48 " and name "HA ")
6.000 4.500 0.000 peak 2271 weight 0.10000E+01 volume 0.37200E+00 ppm1 9.435 ppm2 4.890
ASSI { 6108}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "91 " and name "HD21")
5.000 3.100 1.000 peak 6108 weight 0.10000E+01 volume -0.47300E+00 ppm1 9.063 ppm2 0.767
OR { 6108}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "91 " and name "HD23")
OR { 6108}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "91 " and name "HD22")
ASSI { 6107}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "91 " and name "HD12")
5.000 3.100 1.000 peak 6107 weight 0.10000E+01 volume -0.51000E+00 ppm1 9.058 ppm2 0.784
OR { 6107}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "91 " and name "HD13")
OR { 6107}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "91 " and name "HD11")
ASSI { 5940}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "61 " and name "HB2 ")
5.000 3.100 1.000 peak 5940 weight 0.10000E+01 volume -0.39000E+00 ppm1 9.275 ppm2 2.480
ASSI { 6065}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "84 " and name "HG12")
3.800 1.800 1.800 peak 6065 weight 0.10000E+01 volume 0.24300E+00 ppm1 7.520 ppm2 1.196
ASSI { 1820}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "14 " and name "HB3 ")
6.000 4.500 0.000 peak 1820 weight 0.10000E+01 volume 0.16240E+01 ppm1 7.607 ppm2 1.245
OR { 1820}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "14 " and name "HB2 ")
OR { 1820}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "14 " and name "HB1 ")
ASSI { 2189}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "84 " and name "HB ")
5.000 3.100 1.000 peak 2189 weight 0.10000E+01 volume -0.34200E+00 ppm1 7.418 ppm2 2.137
ASSI { 2201}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "84 " and name "HG21")
6.000 4.500 0.000 peak 2201 weight 0.10000E+01 volume 0.24900E+00 ppm1 7.419 ppm2 0.762
OR { 2201}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "84 " and name "HG23")
OR { 2201}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "84 " and name "HG22")
ASSI { 6050}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "84 " and name "HG22")
6.000 4.500 0.000 peak 6050 weight 0.10000E+01 volume 0.20600E+00 ppm1 7.669 ppm2 0.803
OR { 6050}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "84 " and name "HG23")
ASSI { 6029}
(segid " " and resid "80 " and name "HN ")
(segid " " and resid "60 " and name "HA ")
5.000 3.100 1.000 peak 6029 weight 0.10000E+01 volume -0.30100E+00 ppm1 8.880 ppm2 5.170
ASSI { 5883}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "54 " and name "HG1 ")
3.000 1.100 1.100 peak 5883 weight 0.10000E+01 volume 0.10520E+01 ppm1 7.428 ppm2 1.317
OR { 5883}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "54 " and name "HG2 ")
ASSI { 5929}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "59 " and name "HD22")
6.000 4.500 0.000 peak 5929 weight 0.10000E+01 volume -0.20400E+00 ppm1 8.662 ppm2 0.663
OR { 5929}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "59 " and name "HD21")
OR { 5929}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "59 " and name "HD23")
ASSI { 2241}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "24 " and name "HB2 ")
3.200 1.300 1.300 peak 2241 weight 0.10000E+01 volume 0.71000E+00 ppm1 8.565 ppm2 1.933
ASSI { 2236}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "23 " and name "HA ")
6.000 4.500 0.000 peak 2236 weight 0.10000E+01 volume 0.14250E+01 ppm1 8.561 ppm2 4.917
ASSI { 6097}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "87 " and name "HB2 ")
5.000 3.100 1.000 peak 6097 weight 0.10000E+01 volume -0.61900E+00 ppm1 7.663 ppm2 2.107
OR { 6097}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "87 " and name "HB1 ")
ASSI { 2295}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "85 " and name "HA ")
6.000 4.500 0.000 peak 2295 weight 0.10000E+01 volume 0.16300E+00 ppm1 8.410 ppm2 5.314
ASSI { 1223}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "6 " and name "HD1 ")
5.000 3.100 1.000 peak 1223 weight 0.10000E+01 volume -0.10400E+01 ppm1 8.277 ppm2 1.614
OR { 1223}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "6 " and name "HD2 ")
ASSI { 3275}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "76 " and name "HB1 ")
5.000 3.100 1.000 peak 3275 weight 0.10000E+01 volume -0.18820E+01 ppm1 7.892 ppm2 1.829
OR { 3275}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "76 " and name "HB2 ")
ASSI { 6068}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "86 " and name "HA ")
6.000 4.500 0.000 peak 6068 weight 0.10000E+01 volume 0.73800E+00 ppm1 8.598 ppm2 4.750
ASSI { 5807}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "26 " and name "HG22")
6.000 4.500 0.000 peak 5807 weight 0.10000E+01 volume -0.22500E+00 ppm1 8.089 ppm2 0.843
OR { 5807}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "26 " and name "HG21")
OR { 5807}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "26 " and name "HG23")
ASSI { 5863}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "22 " and name "HD12")
5.000 3.100 1.000 peak 5863 weight 0.10000E+01 volume -0.79400E+00 ppm1 8.613 ppm2 0.516
OR { 5863}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "22 " and name "HD11")
OR { 5863}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "22 " and name "HD13")
ASSI { 1680}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HD12")
5.000 3.100 1.000 peak 1680 weight 0.10000E+01 volume -0.32700E+00 ppm1 8.893 ppm2 0.807
OR { 1680}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HD13")
OR { 1680}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HD11")
ASSI { 1629}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HB1 ")
3.100 1.200 1.200 peak 1629 weight 0.10000E+01 volume 0.90600E+00 ppm1 8.896 ppm2 1.355
ASSI { 5855}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "52 " and name "HA ")
6.000 4.500 0.000 peak 5855 weight 0.10000E+01 volume 0.23700E+00 ppm1 8.619 ppm2 4.835
ASSI { 5913}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "58 " and name "HB1 ")
6.000 4.500 0.000 peak 5913 weight 0.10000E+01 volume -0.26800E+00 ppm1 7.951 ppm2 2.115
ASSI { 3232}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "92 " and name "HG1 ")
5.000 3.100 1.000 peak 3232 weight 0.10000E+01 volume -0.64100E+00 ppm1 8.174 ppm2 1.357
OR { 3232}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "92 " and name "HG2 ")
ASSI { 6111}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "91 " and name "HA ")
6.000 4.500 0.000 peak 6111 weight 0.10000E+01 volume 0.13210E+01 ppm1 8.174 ppm2 4.350
ASSI { 6113}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "90 " and name "HA ")
5.000 3.100 1.000 peak 6113 weight 0.10000E+01 volume -0.96400E+00 ppm1 8.174 ppm2 4.046
ASSI { 5747}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "31 " and name "HE1 ")
5.000 3.100 1.000 peak 5747 weight 0.10000E+01 volume -0.32500E+00 ppm1 9.144 ppm2 6.937
ASSI { 5754}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "39 " and name "HD11")
5.000 3.100 1.000 peak 5754 weight 0.10000E+01 volume -0.35900E+00 ppm1 9.150 ppm2 0.971
OR { 5754}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "39 " and name "HD13")
OR { 5754}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "39 " and name "HD12")
ASSI { 2852}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "42 " and name "HD2 ")
5.000 3.100 1.000 peak 2852 weight 0.10000E+01 volume -0.54900E+00 ppm1 8.761 ppm2 7.223
ASSI { 5973}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "65 " and name "HB ")
5.000 3.100 1.000 peak 5973 weight 0.10000E+01 volume -0.39000E+00 ppm1 8.777 ppm2 2.248
ASSI { 5819}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "65 " and name "HA ")
5.000 3.100 1.000 peak 5819 weight 0.10000E+01 volume -0.53500E+00 ppm1 9.179 ppm2 4.641
ASSI { 5827}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "46 " and name "HA ")
3.300 1.400 1.400 peak 5827 weight 0.10000E+01 volume -0.37030E+01 ppm1 8.993 ppm2 4.506
ASSI { 6153}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "12 " and name "HD21")
5.000 3.100 1.000 peak 6153 weight 0.10000E+01 volume -0.75900E+00 ppm1 9.293 ppm2 0.718
OR { 6153}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "12 " and name "HD22")
OR { 6153}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "12 " and name "HD23")
ASSI { 6146}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "12 " and name "HA ")
6.000 4.500 0.000 peak 6146 weight 0.10000E+01 volume 0.52100E+00 ppm1 9.293 ppm2 5.289
ASSI { 4043}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "28 " and name "HD23")
5.000 3.100 1.000 peak 4043 weight 0.10000E+01 volume -0.70900E+00 ppm1 9.750 ppm2 0.787
OR { 4043}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "28 " and name "HD22")
OR { 4043}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "28 " and name "HD21")
ASSI { 6077}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "86 " and name "HA ")
6.000 4.500 0.000 peak 6077 weight 0.10000E+01 volume 0.51830E+01 ppm1 9.362 ppm2 4.751
ASSI { 3456}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "93 " and name "HB2 ")
3.500 1.500 1.500 peak 3456 weight 0.10000E+01 volume 0.39100E+00 ppm1 8.497 ppm2 1.725
ASSI { 1167}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "107 " and name "HB2 ")
5.000 3.100 1.000 peak 1167 weight 0.10000E+01 volume -0.70500E+00 ppm1 8.708 ppm2 3.308
ASSI { 1164}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "107 " and name "HB1 ")
5.000 3.100 1.000 peak 1164 weight 0.10000E+01 volume -0.49300E+00 ppm1 8.708 ppm2 3.475
ASSI { 4056}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "85 " and name "HA ")
5.000 3.100 1.000 peak 4056 weight 0.10000E+01 volume -0.38200E+00 ppm1 7.416 ppm2 5.339
ASSI { 2192}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "27 " and name "HB2 ")
6.000 4.500 0.000 peak 2192 weight 0.10000E+01 volume 0.10010E+01 ppm1 7.419 ppm2 1.397
OR { 2192}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "27 " and name "HB1 ")
ASSI { 1884}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "16 " and name "HG2 ")
5.000 3.100 1.000 peak 1884 weight 0.10000E+01 volume -0.47200E+00 ppm1 7.837 ppm2 2.473
OR { 1884}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "16 " and name "HG1 ")
ASSI { 2239}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "23 " and name "HB1 ")
5.000 3.100 1.000 peak 2239 weight 0.10000E+01 volume -0.18990E+01 ppm1 8.569 ppm2 3.804
OR { 2239}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "23 " and name "HB2 ")
ASSI { 5417}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "29 " and name "HB1 ")
2.600 0.800 0.800 peak 5417 weight 0.10000E+01 volume 0.24450E+01 ppm1 8.302 ppm2 2.235
OR { 5417}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "29 " and name "HG1 ")
ASSI { 6025}
(segid " " and resid "79 " and name "HN ")
(segid " " and resid "79 " and name "HB2 ")
3.800 1.800 1.800 peak 6025 weight 0.10000E+01 volume 0.27100E+00 ppm1 8.510 ppm2 2.017
ASSI { 1582}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "10 " and name "HB2 ")
3.400 1.400 1.400 peak 1582 weight 0.10000E+01 volume 0.50400E+00 ppm1 9.369 ppm2 1.578
ASSI { 1758}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "12 " and name "HD21")
5.000 3.100 1.000 peak 1758 weight 0.10000E+01 volume -0.10160E+01 ppm1 9.174 ppm2 0.720
OR { 1758}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "12 " and name "HD22")
OR { 1758}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "12 " and name "HD23")
ASSI { 1713}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "96 " and name "HB ")
5.000 3.100 1.000 peak 1713 weight 0.10000E+01 volume -0.36800E+00 ppm1 9.173 ppm2 1.598
ASSI { 1237}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "6 " and name "HG2 ")
5.000 3.100 1.000 peak 1237 weight 0.10000E+01 volume -0.90000E+00 ppm1 8.285 ppm2 1.324
ASSI { 1241}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "6 " and name "HB1 ")
5.000 3.100 1.000 peak 1241 weight 0.10000E+01 volume -0.76300E+00 ppm1 8.277 ppm2 1.392
ASSI { 1504}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "8 " and name "HA ")
6.000 4.500 0.000 peak 1504 weight 0.10000E+01 volume 0.79200E+00 ppm1 7.821 ppm2 4.284
ASSI { 1532}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "10 " and name "HB2 ")
3.300 1.400 1.400 peak 1532 weight 0.10000E+01 volume 0.61100E+00 ppm1 7.824 ppm2 1.559
ASSI { 5806}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "43 " and name "HA ")
6.000 4.500 0.000 peak 5806 weight 0.10000E+01 volume 0.60600E+00 ppm1 8.083 ppm2 3.224
ASSI { 2906}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "44 " and name "HA2 ")
6.000 4.500 0.000 peak 2906 weight 0.10000E+01 volume 0.87000E+00 ppm1 8.091 ppm2 3.512
ASSI { 1479}
(segid " " and resid "9 " and name "HN ")
(segid " " and resid "9 " and name "HA ")
6.000 4.500 0.000 peak 1479 weight 0.10000E+01 volume 0.46400E+00 ppm1 9.275 ppm2 4.702
ASSI { 5860}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "12 " and name "HB2 ")
3.800 1.800 1.800 peak 5860 weight 0.10000E+01 volume 0.26900E+00 ppm1 8.611 ppm2 1.533
ASSI { 5919}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "59 " and name "HD21")
5.000 3.100 1.000 peak 5919 weight 0.10000E+01 volume -0.69200E+00 ppm1 7.951 ppm2 0.675
OR { 5919}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "59 " and name "HD22")
OR { 5919}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "59 " and name "HD23")
ASSI { 6116}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "92 " and name "HB2 ")
3.000 1.100 1.100 peak 6116 weight 0.10000E+01 volume 0.98500E+00 ppm1 8.172 ppm2 1.580
ASSI { 5746}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "38 " and name "HD2 ")
6.000 4.500 0.000 peak 5746 weight 0.10000E+01 volume -0.26600E+00 ppm1 9.148 ppm2 7.360
OR { 5746}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "38 " and name "HD1 ")
ASSI { 5755}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "39 " and name "HD21")
5.000 3.100 1.000 peak 5755 weight 0.10000E+01 volume -0.30400E+00 ppm1 9.144 ppm2 0.868
OR { 5755}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "39 " and name "HD22")
OR { 5755}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "39 " and name "HD23")
ASSI { 5994}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "73 " and name "HD13")
5.000 3.100 1.000 peak 5994 weight 0.10000E+01 volume -0.40700E+00 ppm1 8.108 ppm2 0.787
OR { 5994}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "73 " and name "HD11")
OR { 5994}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "73 " and name "HD12")
ASSI { 6037}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "82 " and name "HA ")
5.000 3.100 1.000 peak 6037 weight 0.10000E+01 volume -0.10700E+01 ppm1 8.664 ppm2 2.881
ASSI { 6131}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "14 " and name "HA ")
6.000 4.500 0.000 peak 6131 weight 0.10000E+01 volume 0.48900E+00 ppm1 8.548 ppm2 4.509
ASSI { 5779}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "42 " and name "HB2 ")
5.000 3.100 1.000 peak 5779 weight 0.10000E+01 volume -0.12920E+01 ppm1 8.756 ppm2 2.878
ASSI { 2907}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "46 " and name "HB ")
3.300 1.400 1.400 peak 2907 weight 0.10000E+01 volume -0.20080E+01 ppm1 8.386 ppm2 1.891
ASSI { 5697}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "30 " and name "HB2 ")
2.900 1.100 1.100 peak 5697 weight 0.10000E+01 volume 0.13410E+01 ppm1 9.145 ppm2 2.618
OR { 5697}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "30 " and name "HB1 ")
ASSI { 6018}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "77 " and name "HB2 ")
5.000 3.100 1.000 peak 6018 weight 0.10000E+01 volume -0.90500E+00 ppm1 8.805 ppm2 1.320
OR { 6018}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "77 " and name "HB1 ")
ASSI { 5972}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "66 " and name "HG2 ")
3.100 1.200 1.200 peak 5972 weight 0.10000E+01 volume 0.87300E+00 ppm1 8.778 ppm2 2.354
OR { 5972}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "66 " and name "HG1 ")
ASSI { 5888}
(segid " " and resid "56 " and name "HN ")
(segid " " and resid "55 " and name "HA2 ")
6.000 4.500 0.000 peak 5888 weight 0.10000E+01 volume 0.99500E+00 ppm1 9.144 ppm2 3.844
ASSI { 5768}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "41 " and name "HA ")
5.000 3.100 1.000 peak 5768 weight 0.10000E+01 volume -0.62700E+00 ppm1 9.119 ppm2 4.395
ASSI { 3609}
(segid " " and resid "108 " and name "HN ")
(segid " " and resid "107 " and name "HB1 ")
3.100 1.200 1.200 peak 3609 weight 0.10000E+01 volume 0.93100E+00 ppm1 8.478 ppm2 3.472
ASSI { 6195}
(segid " " and resid "108 " and name "HN ")
(segid " " and resid "107 " and name "HB2 ")
3.100 1.200 1.200 peak 6195 weight 0.10000E+01 volume 0.84100E+00 ppm1 8.477 ppm2 3.311
ASSI { 3434}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "91 " and name "HG ")
5.000 3.100 1.000 peak 3434 weight 0.10000E+01 volume -0.66700E+00 ppm1 9.059 ppm2 1.456
ASSI { 5899}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "8 " and name "HA ")
6.000 4.500 0.000 peak 5899 weight 0.10000E+01 volume -0.24500E+00 ppm1 7.737 ppm2 4.293
ASSI { 5725}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "33 " and name "HB3 ")
6.000 4.500 0.000 peak 5725 weight 0.10000E+01 volume 0.16910E+01 ppm1 7.414 ppm2 1.317
OR { 5725}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "33 " and name "HB2 ")
OR { 5725}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "33 " and name "HB1 ")
ASSI { 5712}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "38 " and name "HD1 ")
6.000 4.500 0.000 peak 5712 weight 0.10000E+01 volume 0.15960E+01 ppm1 7.417 ppm2 7.339
OR { 5712}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "38 " and name "HD2 ")
ASSI { 2202}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "22 " and name "HD11")
6.000 4.500 0.000 peak 2202 weight 0.10000E+01 volume 0.48700E+00 ppm1 7.626 ppm2 0.511
OR { 2202}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "22 " and name "HD13")
OR { 2202}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "22 " and name "HD12")
ASSI { 6020}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "39 " and name "HD23")
6.000 4.500 0.000 peak 6020 weight 0.10000E+01 volume 0.47400E+00 ppm1 8.805 ppm2 0.903
OR { 6020}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "39 " and name "HD21")
ASSI { 6067}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "84 " and name "HG22")
6.000 4.500 0.000 peak 6067 weight 0.10000E+01 volume 0.48300E+00 ppm1 7.516 ppm2 0.794
OR { 6067}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "84 " and name "HG23")
OR { 6067}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "84 " and name "HG21")
ASSI { 6061}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "83 " and name "HA ")
5.000 3.100 1.000 peak 6061 weight 0.10000E+01 volume -0.60900E+00 ppm1 7.518 ppm2 4.028
ASSI { 1791}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "15 " and name "HA ")
5.000 3.100 1.000 peak 1791 weight 0.10000E+01 volume -0.91900E+00 ppm1 7.601 ppm2 4.663
ASSI { 5942}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "77 " and name "HD13")
6.000 4.500 0.000 peak 5942 weight 0.10000E+01 volume 0.21400E+00 ppm1 9.419 ppm2 0.517
OR { 5942}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "77 " and name "HD11")
OR { 5942}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "77 " and name "HD12")
ASSI { 5949}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "62 " and name "HA1 ")
5.000 3.100 1.000 peak 5949 weight 0.10000E+01 volume -0.76800E+00 ppm1 9.422 ppm2 4.644
ASSI { 5948}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "63 " and name "HA2 ")
6.000 4.500 0.000 peak 5948 weight 0.10000E+01 volume -0.29200E+00 ppm1 9.423 ppm2 4.714
ASSI { 5945}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "80 " and name "HE2 ")
6.000 4.500 0.000 peak 5945 weight 0.10000E+01 volume 0.40900E+00 ppm1 9.423 ppm2 6.968
ASSI { 3197}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "66 " and name "HA ")
3.300 1.400 1.400 peak 3197 weight 0.10000E+01 volume -0.30900E+01 ppm1 8.475 ppm2 4.421
ASSI { 1171}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "1 " and name "HG1 ")
3.300 1.400 1.400 peak 1171 weight 0.10000E+01 volume 0.59700E+00 ppm1 8.708 ppm2 2.640
OR { 1171}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "1 " and name "HG2 ")
ASSI { 5849}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "51 " and name "HB1 ")
3.600 1.600 1.600 peak 5849 weight 0.10000E+01 volume 0.35000E+00 ppm1 8.578 ppm2 3.965
ASSI { 6167}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "99 " and name "HG2 ")
3.000 1.100 1.100 peak 6167 weight 0.10000E+01 volume 0.10680E+01 ppm1 7.861 ppm2 1.616
OR { 6167}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "99 " and name "HG1 ")
ASSI { 6163}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "99 " and name "HA ")
3.300 1.400 1.400 peak 6163 weight 0.10000E+01 volume -0.27830E+01 ppm1 7.863 ppm2 4.597
ASSI { 5954}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "64 " and name "HA ")
5.000 3.100 1.000 peak 5954 weight 0.10000E+01 volume -0.50600E+00 ppm1 9.080 ppm2 5.220
ASSI { 2186}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "43 " and name "HA ")
5.000 3.100 1.000 peak 2186 weight 0.10000E+01 volume -0.68600E+00 ppm1 7.424 ppm2 3.251
ASSI { 2191}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "28 " and name "HB2 ")
5.000 3.100 1.000 peak 2191 weight 0.10000E+01 volume -0.60700E+00 ppm1 7.428 ppm2 1.620
OR { 2191}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "28 " and name "HB1 ")
ASSI { 6045}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "83 " and name "HB1 ")
2.600 0.800 0.800 peak 6045 weight 0.10000E+01 volume 0.24230E+01 ppm1 7.669 ppm2 3.705
ASSI { 1909}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "17 " and name "HG2 ")
5.000 3.100 1.000 peak 1909 weight 0.10000E+01 volume -0.18830E+01 ppm1 7.834 ppm2 2.342
OR { 1909}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "17 " and name "HG1 ")
ASSI { 1856}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "18 " and name "HA ")
5.000 3.100 1.000 peak 1856 weight 0.10000E+01 volume -0.30000E+00 ppm1 7.838 ppm2 4.706
ASSI { 1875}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "15 " and name "HA ")
6.000 4.500 0.000 peak 1875 weight 0.10000E+01 volume -0.17900E+00 ppm1 7.845 ppm2 4.664
ASSI { 1979}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "36 " and name "HA ")
5.000 3.100 1.000 peak 1979 weight 0.10000E+01 volume -0.13370E+01 ppm1 8.729 ppm2 4.749
ASSI { 5882}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "54 " and name "HB2 ")
5.000 3.100 1.000 peak 5882 weight 0.10000E+01 volume -0.44100E+00 ppm1 7.428 ppm2 1.466
ASSI { 5737}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "38 " and name "HD1 ")
6.000 4.500 0.000 peak 5737 weight 0.10000E+01 volume 0.14390E+01 ppm1 8.444 ppm2 7.353
OR { 5737}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "38 " and name "HD2 ")
ASSI { 5877}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "54 " and name "HA ")
5.000 3.100 1.000 peak 5877 weight 0.10000E+01 volume -0.93300E+00 ppm1 7.434 ppm2 4.736
ASSI { 5739}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "36 " and name "HA ")
5.000 3.100 1.000 peak 5739 weight 0.10000E+01 volume -0.31500E+00 ppm1 8.439 ppm2 4.753
ASSI { 5355}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "43 " and name "HA ")
6.000 4.500 0.000 peak 5355 weight 0.10000E+01 volume 0.23100E+00 ppm1 8.301 ppm2 3.230
ASSI { 1588}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "11 " and name "HB1 ")
3.900 1.900 1.900 peak 1588 weight 0.10000E+01 volume 0.23400E+00 ppm1 9.368 ppm2 1.531
OR { 1588}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "11 " and name "HB2 ")
ASSI { 5762}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "40 " and name "HG23")
5.000 3.100 1.000 peak 5762 weight 0.10000E+01 volume -0.97500E+00 ppm1 7.819 ppm2 1.224
OR { 5762}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "40 " and name "HG22")
OR { 5762}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "40 " and name "HG21")
ASSI { 5763}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "39 " and name "HD13")
5.000 3.100 1.000 peak 5763 weight 0.10000E+01 volume -0.56400E+00 ppm1 7.820 ppm2 0.983
OR { 5763}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "39 " and name "HD12")
OR { 5763}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "39 " and name "HD11")
ASSI { 5759}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "39 " and name "HB1 ")
3.700 1.700 1.700 peak 5759 weight 0.10000E+01 volume 0.30800E+00 ppm1 7.819 ppm2 1.652
ASSI { 1701}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "13 " and name "HB1 ")
3.800 1.800 1.800 peak 1701 weight 0.10000E+01 volume 0.26700E+00 ppm1 9.180 ppm2 4.089
ASSI { 1849}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "16 " and name "HG1 ")
2.900 1.100 1.100 peak 1849 weight 0.10000E+01 volume 0.13380E+01 ppm1 8.999 ppm2 2.464
OR { 1849}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "16 " and name "HG2 ")
ASSI { 1717}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "12 " and name "HB2 ")
3.500 1.500 1.500 peak 1717 weight 0.10000E+01 volume 0.38600E+00 ppm1 9.174 ppm2 1.508
ASSI { 6187}
(segid " " and resid "103 " and name "HN ")
(segid " " and resid "103 " and name "HB1 ")
5.000 3.100 1.000 peak 6187 weight 0.10000E+01 volume -0.74400E+00 ppm1 7.449 ppm2 3.087
ASSI { 2329}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "26 " and name "HG22")
5.000 3.100 1.000 peak 2329 weight 0.10000E+01 volume -0.72000E+00 ppm1 8.410 ppm2 0.838
OR { 2329}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "26 " and name "HG21")
OR { 2329}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "26 " and name "HG23")
ASSI { 1224}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "6 " and name "HG1 ")
5.000 3.100 1.000 peak 1224 weight 0.10000E+01 volume -0.99700E+00 ppm1 8.277 ppm2 1.596
ASSI { 6072}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "86 " and name "HB2 ")
5.000 3.100 1.000 peak 6072 weight 0.10000E+01 volume -0.50900E+00 ppm1 8.600 ppm2 1.625
ASSI { 2897}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "44 " and name "HA1 ")
6.000 4.500 0.000 peak 2897 weight 0.10000E+01 volume 0.68400E+00 ppm1 8.083 ppm2 4.405
ASSI { 1630}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "11 " and name "HB2 ")
3.300 1.400 1.400 peak 1630 weight 0.10000E+01 volume 0.60500E+00 ppm1 8.887 ppm2 1.561
ASSI { 1626}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HB2 ")
3.100 1.200 1.200 peak 1626 weight 0.10000E+01 volume 0.95400E+00 ppm1 8.894 ppm2 1.519
ASSI { 2083}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "19 " and name "HB1 ")
6.000 4.500 0.000 peak 2083 weight 0.10000E+01 volume -0.27800E+00 ppm1 8.166 ppm2 3.537
ASSI { 2055}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "18 " and name "HA ")
6.000 4.500 0.000 peak 2055 weight 0.10000E+01 volume 0.15100E+00 ppm1 8.167 ppm2 4.724
ASSI { 2183}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "22 " and name "HD11")
5.000 3.100 1.000 peak 2183 weight 0.10000E+01 volume -0.41400E+00 ppm1 9.137 ppm2 0.505
OR { 2183}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "22 " and name "HD12")
OR { 2183}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "22 " and name "HD13")
ASSI { 6121}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "14 " and name "HA ")
6.000 4.500 0.000 peak 6121 weight 0.10000E+01 volume 0.11310E+01 ppm1 7.513 ppm2 4.504
ASSI { 6125}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "95 " and name "HB1 ")
2.900 1.100 1.100 peak 6125 weight 0.10000E+01 volume 0.13300E+01 ppm1 7.511 ppm2 1.844
ASSI { 6122}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "95 " and name "HA ")
6.000 4.500 0.000 peak 6122 weight 0.10000E+01 volume 0.13600E+01 ppm1 7.507 ppm2 4.534
ASSI { 5968}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "39 " and name "HD22")
6.000 4.500 0.000 peak 5968 weight 0.10000E+01 volume -0.26600E+00 ppm1 8.971 ppm2 0.896
OR { 5968}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "39 " and name "HD23")
ASSI { 5966}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "65 " and name "HG22")
5.000 3.100 1.000 peak 5966 weight 0.10000E+01 volume -0.18500E+01 ppm1 8.968 ppm2 1.023
OR { 5966}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "65 " and name "HG23")
OR { 5966}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "65 " and name "HG21")
ASSI { 5967}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "39 " and name "HD12")
5.000 3.100 1.000 peak 5967 weight 0.10000E+01 volume -0.43000E+00 ppm1 8.968 ppm2 0.969
OR { 5967}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "39 " and name "HD13")
OR { 5967}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "39 " and name "HD11")
ASSI { 5931}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "60 " and name "HD1 ")
5.000 3.100 1.000 peak 5931 weight 0.10000E+01 volume -0.36900E+00 ppm1 8.770 ppm2 7.025
OR { 5931}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "60 " and name "HD2 ")
ASSI { 6119}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "22 " and name "HG23")
5.000 3.100 1.000 peak 6119 weight 0.10000E+01 volume -0.41200E+00 ppm1 8.174 ppm2 0.761
OR { 6119}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "22 " and name "HG22")
OR { 6119}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "22 " and name "HG21")
ASSI { 6112}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "22 " and name "HA ")
5.000 3.100 1.000 peak 6112 weight 0.10000E+01 volume -0.10370E+01 ppm1 8.174 ppm2 4.332
ASSI { 6114}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "90 " and name "HB ")
5.000 3.100 1.000 peak 6114 weight 0.10000E+01 volume -0.44700E+00 ppm1 8.168 ppm2 4.034
ASSI { 1194}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "106 " and name "HA ")
6.000 4.500 0.000 peak 1194 weight 0.10000E+01 volume 0.93700E+00 ppm1 7.934 ppm2 4.497
ASSI { 1177}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "106 " and name "HD2 ")
5.000 3.100 1.000 peak 1177 weight 0.10000E+01 volume -0.32700E+00 ppm1 7.933 ppm2 6.786
ASSI { 5751}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "39 " and name "HB1 ")
3.500 1.500 1.500 peak 5751 weight 0.10000E+01 volume 0.42900E+00 ppm1 9.144 ppm2 1.653
ASSI { 5727}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "36 " and name "HA ")
6.000 4.500 0.000 peak 5727 weight 0.10000E+01 volume 0.42100E+00 ppm1 9.337 ppm2 4.737
ASSI { 5792}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "42 " and name "HB1 ")
5.000 3.100 1.000 peak 5792 weight 0.10000E+01 volume -0.87400E+00 ppm1 8.994 ppm2 3.193
ASSI { 5726}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "38 " and name "HD1 ")
5.000 3.100 1.000 peak 5726 weight 0.10000E+01 volume -0.59800E+00 ppm1 9.333 ppm2 7.364
OR { 5726}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "38 " and name "HD2 ")
ASSI { 5717}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "38 " and name "HB1 ")
5.000 3.100 1.000 peak 5717 weight 0.10000E+01 volume -0.30400E+00 ppm1 7.409 ppm2 3.768
ASSI { 3430}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "90 " and name "HB ")
3.300 1.400 1.400 peak 3430 weight 0.10000E+01 volume -0.39880E+01 ppm1 9.006 ppm2 4.015
ASSI { 6134}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "95 " and name "HB1 ")
3.300 1.400 1.400 peak 6134 weight 0.10000E+01 volume 0.60800E+00 ppm1 8.544 ppm2 1.833
ASSI { 3428}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "90 " and name "HA ")
5.000 3.100 1.000 peak 3428 weight 0.10000E+01 volume -0.11200E+01 ppm1 9.006 ppm2 4.058
ASSI { 3490}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "12 " and name "HD22")
6.000 4.500 0.000 peak 3490 weight 0.10000E+01 volume -0.28400E+00 ppm1 8.545 ppm2 0.719
OR { 3490}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "12 " and name "HD21")
OR { 3490}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "12 " and name "HD23")
ASSI { 1781}
(segid " " and resid "14 " and name "HN ")
(segid " " and resid "22 " and name "HD12")
5.000 3.100 1.000 peak 1781 weight 0.10000E+01 volume -0.33900E+00 ppm1 10.342 ppm2 0.533
OR { 1781}
(segid " " and resid "14 " and name "HN ")
(segid " " and resid "22 " and name "HD13")
OR { 1781}
(segid " " and resid "14 " and name "HN ")
(segid " " and resid "22 " and name "HD11")
ASSI { 5701}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "84 " and name "HD11")
6.000 4.500 0.000 peak 5701 weight 0.10000E+01 volume -0.18500E+00 ppm1 9.145 ppm2 0.666
OR { 5701}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "84 " and name "HD12")
OR { 5701}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "84 " and name "HD13")
ASSI { 2694}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "41 " and name "HG23")
6.000 4.500 0.000 peak 2694 weight 0.10000E+01 volume -0.27000E+00 ppm1 9.144 ppm2 0.702
OR { 2694}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "41 " and name "HG22")
OR { 2694}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "41 " and name "HG21")
ASSI { 5698}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "31 " and name "HB1 ")
3.300 1.400 1.400 peak 5698 weight 0.10000E+01 volume 0.63300E+00 ppm1 9.148 ppm2 2.611
ASSI { 5970}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "47 " and name "HA ")
6.000 4.500 0.000 peak 5970 weight 0.10000E+01 volume 0.57100E+00 ppm1 8.779 ppm2 4.553
ASSI { 5969}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "65 " and name "HA ")
5.000 3.100 1.000 peak 5969 weight 0.10000E+01 volume -0.17820E+01 ppm1 8.780 ppm2 4.648
ASSI { 5951}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "77 " and name "HB2 ")
5.000 3.100 1.000 peak 5951 weight 0.10000E+01 volume -0.34500E+00 ppm1 9.421 ppm2 1.320
OR { 5951}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "77 " and name "HB1 ")
ASSI { 2337}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "27 " and name "HA ")
6.000 4.500 0.000 peak 2337 weight 0.10000E+01 volume 0.65100E+00 ppm1 8.816 ppm2 4.558
ASSI { 2346}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "46 " and name "HA ")
5.000 3.100 1.000 peak 2346 weight 0.10000E+01 volume -0.38500E+00 ppm1 8.810 ppm2 4.520
ASSI { 5769}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "40 " and name "HB ")
6.000 4.500 0.000 peak 5769 weight 0.10000E+01 volume -0.25100E+00 ppm1 9.111 ppm2 4.056
ASSI { 5774}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "41 " and name "HG23")
5.000 3.100 1.000 peak 5774 weight 0.10000E+01 volume -0.44700E+00 ppm1 9.121 ppm2 0.692
OR { 5774}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "41 " and name "HG22")
OR { 5774}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "41 " and name "HG21")
ASSI { 7581}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "61 " and name "HZ2 ")
3.300 1.400 1.400 peak 7581 weight 0.10000E+01 volume -0.28090E+01 ppm1 9.737 ppm2 7.552
ASSI { 7582}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "61 " and name "HD1 ")
3.300 1.400 1.400 peak 7582 weight 0.10000E+01 volume -0.34170E+01 ppm1 9.736 ppm2 7.554
ASSI { 7587}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "82 " and name "HB1 ")
6.000 4.500 0.000 peak 7587 weight 0.10000E+01 volume -0.26200E+00 ppm1 9.741 ppm2 1.400
ASSI { 5711}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "40 " and name "HG22")
5.000 3.100 1.000 peak 5711 weight 0.10000E+01 volume -0.12180E+01 ppm1 7.862 ppm2 1.222
OR { 5711}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "40 " and name "HG21")
OR { 5711}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "40 " and name "HG23")
ASSI { 6142}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "97 " and name "HB2 ")
2.600 0.800 0.800 peak 6142 weight 0.10000E+01 volume 0.24800E+01 ppm1 8.367 ppm2 2.358
ASSI { 3417}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "91 " and name "HB1 ")
3.000 1.100 1.100 peak 3417 weight 0.10000E+01 volume 0.10630E+01 ppm1 9.069 ppm2 1.484
OR { 3417}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "91 " and name "HB2 ")
ASSI { 6104}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "90 " and name "HB ")
5.000 3.100 1.000 peak 6104 weight 0.10000E+01 volume -0.91500E+00 ppm1 9.060 ppm2 4.021
ASSI { 3127}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "51 " and name "HN ")
2.900 1.100 1.100 peak 3127 weight 0.10000E+01 volume 0.66700E+00 ppm1 9.276 ppm2 8.581
ASSI { 2601}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "24 " and name "HN ")
3.800 1.800 1.800 peak 2601 weight 0.10000E+01 volume 0.14600E+00 ppm1 7.624 ppm2 8.556
ASSI { 2598}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "49 " and name "HG21")
3.600 1.600 1.600 peak 2598 weight 0.10000E+01 volume 0.37500E+00 ppm1 7.615 ppm2 1.118
OR { 2598}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "49 " and name "HG23")
OR { 2598}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "49 " and name "HG22")
ASSI { 2589}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "22 " and name "HG23")
3.100 1.200 1.200 peak 2589 weight 0.10000E+01 volume 0.10320E+01 ppm1 7.617 ppm2 0.774
OR { 2589}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "22 " and name "HG21")
OR { 2589}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "22 " and name "HG22")
ASSI { 3295}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "77 " and name "HB2 ")
2.800 1.000 1.000 peak 3295 weight 0.10000E+01 volume 0.12900E+01 ppm1 8.801 ppm2 1.298
OR { 3295}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "77 " and name "HB1 ")
OR { 3295}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "77 " and name "HG ")
ASSI { 3309}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "80 " and name "HD2 ")
4.800 2.900 1.200 peak 3309 weight 0.10000E+01 volume 0.11100E+00 ppm1 8.801 ppm2 6.917
OR { 3309}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "80 " and name "HE2 ")
ASSI { 3373}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "84 " and name "HB ")
3.500 1.500 1.500 peak 3373 weight 0.10000E+01 volume 0.35700E+00 ppm1 7.514 ppm2 2.139
ASSI { 3369}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "85 " and name "HB ")
3.200 1.300 1.300 peak 3369 weight 0.10000E+01 volume 0.55900E+00 ppm1 7.512 ppm2 1.821
ASSI { 3672}
(segid " " and resid "89 " and name "HE22")
(segid " " and resid "92 " and name "HN ")
3.800 1.800 1.800 peak 3672 weight 0.10000E+01 volume 0.14600E+00 ppm1 6.746 ppm2 8.105
ASSI { 710}
(segid " " and resid "89 " and name "HE21")
(segid " " and resid "91 " and name "HD12")
3.500 1.500 1.500 peak 710 weight 0.10000E+01 volume 0.43000E+00 ppm1 7.412 ppm2 0.781
OR { 710}
(segid " " and resid "89 " and name "HE21")
(segid " " and resid "91 " and name "HD11")
OR { 710}
(segid " " and resid "89 " and name "HE21")
(segid " " and resid "91 " and name "HD13")
ASSI { 2508}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "14 " and name "HA ")
3.300 1.400 1.400 peak 2508 weight 0.10000E+01 volume 0.38200E+00 ppm1 7.602 ppm2 4.518
ASSI { 3674}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "37 " and name "HG1 ")
4.100 2.100 1.900 peak 3674 weight 0.10000E+01 volume 0.16300E+00 ppm1 6.746 ppm2 1.836
OR { 3674}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "37 " and name "HB1 ")
ASSI { 707}
(segid " " and resid "89 " and name "HE21")
(segid " " and resid "89 " and name "HG1 ")
3.100 1.200 1.200 peak 707 weight 0.10000E+01 volume 0.67300E+00 ppm1 7.413 ppm2 2.169
OR { 707}
(segid " " and resid "89 " and name "HE21")
(segid " " and resid "89 " and name "HG2 ")
ASSI { 2502}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "13 " and name "HB2 ")
2.700 0.900 0.900 peak 2502 weight 0.10000E+01 volume 0.14520E+01 ppm1 7.600 ppm2 3.368
ASSI { 3650}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "96 " and name "HG23")
4.000 2.000 2.000 peak 3650 weight 0.10000E+01 volume 0.19600E+00 ppm1 7.551 ppm2 0.665
OR { 3650}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "96 " and name "HG13")
OR { 3650}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "96 " and name "HG21")
OR { 3650}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "96 " and name "HG22")
ASSI { 3646}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "105 " and name "HD1 ")
4.400 2.400 1.600 peak 3646 weight 0.10000E+01 volume 0.20500E+00 ppm1 7.547 ppm2 7.047
OR { 3646}
(segid " " and resid "37 " and name "HE ")
(segid " " and resid "105 " and name "HD2 ")
ASSI { 3629}
(segid " " and resid "29 " and name "HE21")
(segid " " and resid "29 " and name "HG1 ")
2.800 1.000 1.000 peak 3629 weight 0.10000E+01 volume 0.13790E+01 ppm1 7.549 ppm2 2.229
OR { 3629}
(segid " " and resid "29 " and name "HE21")
(segid " " and resid "29 " and name "HG2 ")
ASSI { 3195}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "65 " and name "HG22")
4.000 2.000 2.000 peak 3195 weight 0.10000E+01 volume 0.20400E+00 ppm1 8.473 ppm2 1.037
OR { 3195}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "65 " and name "HG23")
OR { 3195}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "65 " and name "HG21")
OR { 3195}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "65 " and name "HG13")
ASSI { 2265}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "2 " and name "HA2 ")
2.400 0.700 0.700 peak 2265 weight 0.10000E+01 volume 0.24450E+01 ppm1 8.708 ppm2 3.499
ASSI { 2354}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "108 " and name "HA ")
3.400 1.400 1.400 peak 2354 weight 0.10000E+01 volume 0.29400E+00 ppm1 8.704 ppm2 4.237
ASSI { 3652}
(segid " " and resid "29 " and name "HE21")
(segid " " and resid "84 " and name "HG23")
3.800 1.800 1.800 peak 3652 weight 0.10000E+01 volume 0.28700E+00 ppm1 7.546 ppm2 0.713
OR { 3652}
(segid " " and resid "29 " and name "HE21")
(segid " " and resid "84 " and name "HG21")
OR { 3652}
(segid " " and resid "29 " and name "HE21")
(segid " " and resid "84 " and name "HG22")
ASSI { 2417}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "7 " and name "HB1 ")
3.300 1.400 1.400 peak 2417 weight 0.10000E+01 volume 0.45300E+00 ppm1 6.572 ppm2 1.049
ASSI { 3346}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "84 " and name "HG22")
3.700 1.700 1.700 peak 3346 weight 0.10000E+01 volume 0.31700E+00 ppm1 7.668 ppm2 0.702
OR { 3346}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "84 " and name "HG23")
OR { 3346}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "84 " and name "HG21")
ASSI { 3020}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "53 " and name "HD11")
3.000 1.100 1.100 peak 3020 weight 0.10000E+01 volume 0.10290E+01 ppm1 7.419 ppm2 0.896
OR { 3020}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "53 " and name "HD13")
OR { 3020}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "53 " and name "HD12")
ASSI { 2777}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "38 " and name "HB2 ")
2.900 1.100 1.100 peak 2777 weight 0.10000E+01 volume 0.95100E+00 ppm1 8.435 ppm2 3.123
ASSI { 3107}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "57 " and name "HA1 ")
3.600 1.600 1.600 peak 3107 weight 0.10000E+01 volume 0.20100E+00 ppm1 8.665 ppm2 4.639
ASSI { 2581}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "91 " and name "HG ")
3.100 1.200 1.200 peak 2581 weight 0.10000E+01 volume 0.64300E+00 ppm1 8.560 ppm2 1.450
ASSI { 2574}
(segid " " and resid "79 " and name "HN ")
(segid " " and resid "78 " and name "HA2 ")
2.400 0.700 0.700 peak 2574 weight 0.10000E+01 volume 0.26160E+01 ppm1 8.561 ppm2 3.802
ASSI { 2447}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "100 " and name "HG23")
3.000 1.100 1.100 peak 2447 weight 0.10000E+01 volume 0.10690E+01 ppm1 9.368 ppm2 0.929
OR { 2447}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "100 " and name "HG22")
OR { 2447}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "100 " and name "HG21")
ASSI { 3406}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "88 " and name "HA ")
2.700 0.900 0.900 peak 3406 weight 0.10000E+01 volume 0.11040E+01 ppm1 7.657 ppm2 4.938
ASSI { 2997}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "87 " and name "HA ")
3.900 1.900 1.900 peak 2997 weight 0.10000E+01 volume 0.13800E+00 ppm1 8.595 ppm2 4.254
ASSI { 2999}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "85 " and name "HG21")
3.700 1.700 1.700 peak 2999 weight 0.10000E+01 volume 0.31300E+00 ppm1 8.615 ppm2 0.904
OR { 2999}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "85 " and name "HG22")
OR { 2999}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "85 " and name "HG23")
ASSI { 2983}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "52 " and name "HB2 ")
2.900 1.100 1.100 peak 2983 weight 0.10000E+01 volume 0.10860E+01 ppm1 8.614 ppm2 1.371
ASSI { 2559}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "14 " and name "HB3 ")
3.600 1.600 1.600 peak 2559 weight 0.10000E+01 volume 0.40200E+00 ppm1 8.166 ppm2 1.245
OR { 2559}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "14 " and name "HB2 ")
OR { 2559}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "14 " and name "HB1 ")
ASSI { 3478}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "93 " and name "HA ")
3.800 1.800 1.800 peak 3478 weight 0.10000E+01 volume 0.16000E+00 ppm1 7.501 ppm2 4.181
ASSI { 2567}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "22 " and name "HG23")
3.300 1.400 1.400 peak 2567 weight 0.10000E+01 volume 0.62700E+00 ppm1 9.132 ppm2 0.774
OR { 2567}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "22 " and name "HG22")
OR { 2567}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "22 " and name "HG21")
ASSI { 3089}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "60 " and name "HD2 ")
4.100 2.100 1.900 peak 3089 weight 0.10000E+01 volume 0.27100E+00 ppm1 7.946 ppm2 7.006
OR { 3089}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "60 " and name "HD1 ")
ASSI { 3252}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "68 " and name "HB1 ")
4.000 2.000 2.000 peak 3252 weight 0.10000E+01 volume 0.14300E+00 ppm1 8.145 ppm2 2.647
OR { 3252}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "68 " and name "HB2 ")
ASSI { 2392}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "57 " and name "HA2 ")
3.800 1.800 1.800 peak 2392 weight 0.10000E+01 volume 0.17900E+00 ppm1 7.930 ppm2 3.474
ASSI { 2391}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "4 " and name "HG1 ")
3.500 1.500 1.500 peak 2391 weight 0.10000E+01 volume 0.30400E+00 ppm1 7.936 ppm2 2.723
ASSI { 2793}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "38 " and name "HB1 ")
3.000 1.100 1.100 peak 2793 weight 0.10000E+01 volume 0.86700E+00 ppm1 9.142 ppm2 3.764
ASSI { 2802}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "80 " and name "HB1 ")
4.200 2.200 1.800 peak 2802 weight 0.10000E+01 volume 0.11300E+00 ppm1 9.142 ppm2 3.460
ASSI { 3268}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "74 " and name "HB1 ")
4.100 2.100 1.900 peak 3268 weight 0.10000E+01 volume 0.17400E+00 ppm1 8.105 ppm2 1.270
OR { 3268}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "74 " and name "HB3 ")
OR { 3268}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "74 " and name "HB2 ")
ASSI { 2765}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "4 " and name "HE3 ")
3.600 1.600 1.600 peak 2765 weight 0.10000E+01 volume 0.31400E+00 ppm1 9.328 ppm2 2.114
OR { 2765}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "4 " and name "HE1 ")
OR { 2765}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "4 " and name "HE2 ")
ASSI { 3324}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "82 " and name "HB1 ")
2.800 1.000 1.000 peak 3324 weight 0.10000E+01 volume 0.13200E+01 ppm1 8.658 ppm2 1.397
ASSI { 3278}
(segid " " and resid "74 " and name "HN ")
(segid " " and resid "69 " and name "HA ")
4.000 2.000 2.000 peak 3278 weight 0.10000E+01 volume 0.11700E+00 ppm1 8.091 ppm2 4.410
ASSI { 3606}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "76 " and name "HN ")
3.600 1.600 1.600 peak 3606 weight 0.10000E+01 volume 0.20300E+00 ppm1 8.234 ppm2 7.942
ASSI { 2375}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "46 " and name "HG12")
3.900 1.900 1.900 peak 2375 weight 0.10000E+01 volume 0.22200E+00 ppm1 9.173 ppm2 0.678
OR { 2375}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "46 " and name "HG13")
OR { 2375}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "46 " and name "HG11")
ASSI { 2918}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "46 " and name "HG12")
2.800 1.000 1.000 peak 2918 weight 0.10000E+01 volume 0.19460E+01 ppm1 8.995 ppm2 0.691
OR { 2918}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "46 " and name "HG11")
OR { 2918}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "46 " and name "HG13")
ASSI { 2821}
(segid " " and resid "56 " and name "HN ")
(segid " " and resid "56 " and name "HG1 ")
2.600 0.800 0.800 peak 2821 weight 0.10000E+01 volume 0.18470E+01 ppm1 9.144 ppm2 1.719
OR { 2821}
(segid " " and resid "56 " and name "HN ")
(segid " " and resid "56 " and name "HG2 ")
ASSI { 2719}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "40 " and name "HG22")
4.000 2.000 2.000 peak 2719 weight 0.10000E+01 volume 0.19400E+00 ppm1 7.980 ppm2 1.245
OR { 2719}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "40 " and name "HG23")
OR { 2719}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "40 " and name "HG21")
ASSI { 2947}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "22 " and name "HD11")
3.800 1.800 1.800 peak 2947 weight 0.10000E+01 volume 0.26700E+00 ppm1 9.845 ppm2 0.508
OR { 2947}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "22 " and name "HD12")
OR { 2947}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "22 " and name "HD13")
ASSI { 2651}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "43 " and name "HA ")
4.000 2.000 2.000 peak 2651 weight 0.10000E+01 volume 0.12200E+00 ppm1 8.804 ppm2 3.234
ASSI { 2644}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "41 " and name "HG21")
3.500 1.500 1.500 peak 2644 weight 0.10000E+01 volume 0.46700E+00 ppm1 8.811 ppm2 0.690
OR { 2644}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "41 " and name "HG22")
OR { 2644}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "41 " and name "HG23")
ASSI { 2718}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "33 " and name "HB1 ")
2.500 0.800 0.800 peak 2718 weight 0.10000E+01 volume 0.35300E+01 ppm1 7.854 ppm2 1.318
OR { 2718}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "33 " and name "HB2 ")
OR { 2718}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "33 " and name "HB3 ")
ASSI { 2873}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "26 " and name "HG22")
3.400 1.400 1.400 peak 2873 weight 0.10000E+01 volume 0.57100E+00 ppm1 8.810 ppm2 0.844
OR { 2873}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "26 " and name "HG21")
OR { 2873}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "26 " and name "HG23")
ASSI { 2878}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "43 " and name "HB1 ")
3.600 1.600 1.600 peak 2878 weight 0.10000E+01 volume 0.29300E+00 ppm1 8.812 ppm2 1.669
ASSI { 3053}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "56 " and name "HB2 ")
3.200 1.300 1.300 peak 3053 weight 0.10000E+01 volume 0.52400E+00 ppm1 7.735 ppm2 1.874
ASSI { 2595}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "22 " and name "HA ")
3.300 1.400 1.400 peak 2595 weight 0.10000E+01 volume 0.37500E+00 ppm1 7.618 ppm2 4.339
ASSI { 3303}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "77 " and name "HD13")
3.800 1.800 1.800 peak 3303 weight 0.10000E+01 volume 0.27100E+00 ppm1 8.799 ppm2 0.519
OR { 3303}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "77 " and name "HD11")
OR { 3303}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "77 " and name "HD12")
ASSI { 3286}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "64 " and name "HB2 ")
4.100 2.100 1.900 peak 3286 weight 0.10000E+01 volume 0.12700E+00 ppm1 8.797 ppm2 3.806
OR { 3286}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "64 " and name "HB1 ")
ASSI { 3304}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "77 " and name "HD22")
3.700 1.700 1.700 peak 3304 weight 0.10000E+01 volume 0.33800E+00 ppm1 8.801 ppm2 0.318
OR { 3304}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "77 " and name "HD21")
OR { 3304}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "77 " and name "HD23")
ASSI { 3361}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "85 " and name "HG22")
2.500 0.800 0.800 peak 3361 weight 0.10000E+01 volume 0.36570E+01 ppm1 7.514 ppm2 0.837
OR { 3361}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "85 " and name "HG23")
ASSI { 3665}
(segid " " and resid "89 " and name "HE22")
(segid " " and resid "91 " and name "HD12")
3.700 1.700 1.700 peak 3665 weight 0.10000E+01 volume 0.32100E+00 ppm1 6.747 ppm2 0.776
OR { 3665}
(segid " " and resid "89 " and name "HE22")
(segid " " and resid "91 " and name "HD13")
ASSI { 2501}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "13 " and name "HB1 ")
2.700 0.900 0.900 peak 2501 weight 0.10000E+01 volume 0.14450E+01 ppm1 7.602 ppm2 4.095
ASSI { 3137}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "78 " and name "HN ")
2.600 0.800 0.800 peak 3137 weight 0.10000E+01 volume 0.12270E+01 ppm1 9.416 ppm2 8.796
ASSI { 3043}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "54 " and name "HN ")
3.600 1.600 1.600 peak 3043 weight 0.10000E+01 volume 0.19900E+00 ppm1 9.144 ppm2 7.413
ASSI { 2965}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "63 " and name "HA1 ")
3.700 1.700 1.700 peak 2965 weight 0.10000E+01 volume 0.17200E+00 ppm1 8.578 ppm2 5.119
ASSI { 2959}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "50 " and name "HB1 ")
3.200 1.300 1.300 peak 2959 weight 0.10000E+01 volume 0.51300E+00 ppm1 8.577 ppm2 3.042
ASSI { 2957}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "22 " and name "HD11")
3.500 1.500 1.500 peak 2957 weight 0.10000E+01 volume 0.40600E+00 ppm1 8.579 ppm2 0.513
OR { 2957}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "22 " and name "HD12")
OR { 2957}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "22 " and name "HD13")
ASSI { 3653}
(segid " " and resid "16 " and name "HE21")
(segid " " and resid "98 " and name "HG13")
4.100 2.100 1.900 peak 3653 weight 0.10000E+01 volume 0.18100E+00 ppm1 7.545 ppm2 1.066
OR { 3653}
(segid " " and resid "16 " and name "HE21")
(segid " " and resid "98 " and name "HG11")
OR { 3653}
(segid " " and resid "16 " and name "HE21")
(segid " " and resid "98 " and name "HG12")
ASSI { 2971}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "61 " and name "HA ")
4.000 2.000 2.000 peak 2971 weight 0.10000E+01 volume 0.10700E+00 ppm1 8.581 ppm2 5.308
ASSI { 3679}
(segid " " and resid "29 " and name "HE22")
(segid " " and resid "30 " and name "HN ")
3.600 1.600 1.600 peak 3679 weight 0.10000E+01 volume 0.21500E+00 ppm1 6.901 ppm2 8.254
ASSI { 2416}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "6 " and name "HD1 ")
3.400 1.400 1.400 peak 2416 weight 0.10000E+01 volume 0.42100E+00 ppm1 6.571 ppm2 1.574
OR { 2416}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "6 " and name "HG1 ")
OR { 2416}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "6 " and name "HD2 ")
ASSI { 2407}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "7 " and name "HB2 ")
3.000 1.100 1.100 peak 2407 weight 0.10000E+01 volume 0.97100E+00 ppm1 6.570 ppm2 0.884
OR { 2407}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "7 " and name "HG ")
ASSI { 3147}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "47 " and name "HG11")
3.100 1.200 1.200 peak 3147 weight 0.10000E+01 volume 0.92000E+00 ppm1 9.073 ppm2 0.482
OR { 3147}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "47 " and name "HG13")
OR { 3147}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "47 " and name "HG12")
ASSI { 3156}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "80 " and name "HE2 ")
4.100 2.100 1.900 peak 3156 weight 0.10000E+01 volume 0.29400E+00 ppm1 9.074 ppm2 6.947
ASSI { 3352}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "84 " and name "HA ")
2.800 1.000 1.000 peak 3352 weight 0.10000E+01 volume 0.10880E+01 ppm1 7.261 ppm2 4.336
ASSI { 3026}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "53 " and name "HB1 ")
3.400 1.400 1.400 peak 3026 weight 0.10000E+01 volume 0.38600E+00 ppm1 7.421 ppm2 2.781
ASSI { 2776}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "33 " and name "HB3 ")
3.200 1.300 1.300 peak 2776 weight 0.10000E+01 volume 0.80900E+00 ppm1 8.440 ppm2 1.319
OR { 2776}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "33 " and name "HB2 ")
OR { 2776}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "33 " and name "HB1 ")
ASSI { 2781}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "37 " and name "HB2 ")
3.700 1.700 1.700 peak 2781 weight 0.10000E+01 volume 0.24400E+00 ppm1 8.441 ppm2 1.487
ASSI { 3105}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "53 " and name "HB1 ")
3.700 1.700 1.700 peak 3105 weight 0.10000E+01 volume 0.24700E+00 ppm1 8.661 ppm2 2.785
ASSI { 2578}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "91 " and name "HD21")
3.200 1.300 1.300 peak 2578 weight 0.10000E+01 volume 0.83300E+00 ppm1 8.562 ppm2 0.771
OR { 2578}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "91 " and name "HD22")
OR { 2578}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "91 " and name "HD11")
OR { 2578}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "91 " and name "HD12")
ASSI { 3315}
(segid " " and resid "79 " and name "HN ")
(segid " " and resid "79 " and name "HD1 ")
3.400 1.400 1.400 peak 3315 weight 0.10000E+01 volume 0.80200E+00 ppm1 8.502 ppm2 6.923
OR { 3315}
(segid " " and resid "79 " and name "HN ")
(segid " " and resid "79 " and name "HD2 ")
ASSI { 2453}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "11 " and name "HE2 ")
3.800 1.800 1.800 peak 2453 weight 0.10000E+01 volume 0.19300E+00 ppm1 9.368 ppm2 2.889
OR { 2453}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "11 " and name "HE1 ")
ASSI { 3342}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "88 " and name "HB2 ")
2.900 1.100 1.100 peak 3342 weight 0.10000E+01 volume 0.93600E+00 ppm1 7.656 ppm2 2.555
ASSI { 2808}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "33 " and name "HB2 ")
3.100 1.200 1.200 peak 2808 weight 0.10000E+01 volume 0.97300E+00 ppm1 7.820 ppm2 1.243
OR { 2808}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "33 " and name "HB1 ")
OR { 2808}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "33 " and name "HB3 ")
ASSI { 2812}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "39 " and name "HB2 ")
3.200 1.300 1.300 peak 2812 weight 0.10000E+01 volume 0.57500E+00 ppm1 7.817 ppm2 1.468
ASSI { 3557}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "102 " and name "HG1 ")
3.100 1.200 1.200 peak 3557 weight 0.10000E+01 volume 0.84500E+00 ppm1 8.492 ppm2 0.694
ASSI { 2485}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "98 " and name "HG23")
3.600 1.600 1.600 peak 2485 weight 0.10000E+01 volume 0.38000E+00 ppm1 9.173 ppm2 0.879
OR { 2485}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "98 " and name "HG21")
OR { 2485}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "98 " and name "HG22")
ASSI { 2410}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "5 " and name "HG1 ")
3.900 1.900 1.900 peak 2410 weight 0.10000E+01 volume 0.17900E+00 ppm1 8.280 ppm2 1.983
ASSI { 3282}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "75 " and name "HB2 ")
2.800 1.000 1.000 peak 3282 weight 0.10000E+01 volume 0.16310E+01 ppm1 7.891 ppm2 1.276
OR { 3282}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "75 " and name "HB1 ")
OR { 3282}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "75 " and name "HB3 ")
ASSI { 3214}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "45 " and name "HG2 ")
3.900 1.900 1.900 peak 3214 weight 0.10000E+01 volume 0.18500E+00 ppm1 8.112 ppm2 2.356
ASSI { 3205}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "72 " and name "HB1 ")
2.800 1.000 1.000 peak 3205 weight 0.10000E+01 volume 0.13330E+01 ppm1 8.120 ppm2 2.777
ASSI { 2896}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "41 " and name "HG22")
3.500 1.500 1.500 peak 2896 weight 0.10000E+01 volume 0.41500E+00 ppm1 8.084 ppm2 0.694
OR { 2896}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "41 " and name "HG23")
OR { 2896}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "41 " and name "HG21")
ASSI { 2424}
(segid " " and resid "9 " and name "HN ")
(segid " " and resid "9 " and name "HB2 ")
2.800 1.000 1.000 peak 2424 weight 0.10000E+01 volume 0.12390E+01 ppm1 9.273 ppm2 2.552
ASSI { 3454}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "96 " and name "HN ")
2.200 0.600 0.600 peak 3454 weight 0.10000E+01 volume 0.41680E+01 ppm1 7.506 ppm2 8.541
ASSI { 3471}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "96 " and name "HG21")
2.900 1.100 1.100 peak 3471 weight 0.10000E+01 volume 0.12990E+01 ppm1 7.504 ppm2 0.704
OR { 3471}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "96 " and name "HG23")
OR { 3471}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "96 " and name "HG22")
ASSI { 3469}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "95 " and name "HB2 ")
2.600 0.800 0.800 peak 3469 weight 0.10000E+01 volume 0.17890E+01 ppm1 7.501 ppm2 1.704
OR { 3469}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "95 " and name "HD2 ")
OR { 3469}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "95 " and name "HD1 ")
ASSI { 3475}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "96 " and name "HA ")
3.500 1.500 1.500 peak 3475 weight 0.10000E+01 volume 0.25400E+00 ppm1 7.505 ppm2 4.010
ASSI { 3084}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "58 " and name "HG2 ")
3.100 1.200 1.200 peak 3084 weight 0.10000E+01 volume 0.67900E+00 ppm1 7.948 ppm2 1.409
ASSI { 3122}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "79 " and name "HB1 ")
4.000 2.000 2.000 peak 3122 weight 0.10000E+01 volume 0.15700E+00 ppm1 8.770 ppm2 2.652
ASSI { 3015}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "61 " and name "HB1 ")
4.200 2.200 1.800 peak 3015 weight 0.10000E+01 volume 0.11000E+00 ppm1 8.286 ppm2 3.258
ASSI { 3000}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "52 " and name "HB1 ")
3.200 1.300 1.300 peak 3000 weight 0.10000E+01 volume 0.62900E+00 ppm1 8.287 ppm2 1.692
ASSI { 3281}
(segid " " and resid "75 " and name "HN ")
(segid " " and resid "73 " and name "HB1 ")
3.700 1.700 1.700 peak 3281 weight 0.10000E+01 volume 0.24400E+00 ppm1 7.857 ppm2 1.563
OR { 3281}
(segid " " and resid "75 " and name "HN ")
(segid " " and resid "73 " and name "HB2 ")
ASSI { 2856}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "43 " and name "HA ")
2.500 0.800 0.800 peak 2856 weight 0.10000E+01 volume 0.21220E+01 ppm1 8.995 ppm2 3.202
ASSI { 2772}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "4 " and name "HG1 ")
4.300 2.300 1.700 peak 2772 weight 0.10000E+01 volume 0.96000E-01 ppm1 9.324 ppm2 2.705
ASSI { 2771}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "35 " and name "HA ")
4.100 2.100 1.900 peak 2771 weight 0.10000E+01 volume 0.94000E-01 ppm1 9.325 ppm2 4.568
ASSI { 3326}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "82 " and name "HB2 ")
2.800 1.000 1.000 peak 3326 weight 0.10000E+01 volume 0.12070E+01 ppm1 8.659 ppm2 1.781
ASSI { 3479}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "96 " and name "HG21")
2.400 0.700 0.700 peak 3479 weight 0.10000E+01 volume 0.42160E+01 ppm1 8.542 ppm2 0.700
OR { 3479}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "96 " and name "HG23")
OR { 3479}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "96 " and name "HG22")
ASSI { 2704}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "31 " and name "HD2 ")
3.900 1.900 1.900 peak 2704 weight 0.10000E+01 volume 0.31300E+00 ppm1 9.144 ppm2 7.392
OR { 2704}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "31 " and name "HD1 ")
ASSI { 3525}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "10 " and name "HA ")
3.700 1.700 1.700 peak 3525 weight 0.10000E+01 volume 0.17100E+00 ppm1 8.511 ppm2 5.210
ASSI { 3522}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "98 " and name "HG21")
3.300 1.400 1.400 peak 3522 weight 0.10000E+01 volume 0.67100E+00 ppm1 8.514 ppm2 0.904
OR { 3522}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "98 " and name "HG22")
OR { 3522}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "98 " and name "HG23")
ASSI { 3518}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "98 " and name "HG11")
2.800 1.000 1.000 peak 3518 weight 0.10000E+01 volume 0.19030E+01 ppm1 8.515 ppm2 1.060
OR { 3518}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "98 " and name "HG13")
ASSI { 3176}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "66 " and name "HB1 ")
2.700 0.900 0.900 peak 3176 weight 0.10000E+01 volume 0.14210E+01 ppm1 8.777 ppm2 2.201
ASSI { 3291}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "76 " and name "HG1 ")
3.200 1.300 1.300 peak 3291 weight 0.10000E+01 volume 0.59900E+00 ppm1 8.151 ppm2 1.545
OR { 3291}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "76 " and name "HG2 ")
ASSI { 2376}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "48 " and name "HA ")
2.300 0.700 0.700 peak 2376 weight 0.10000E+01 volume 0.32380E+01 ppm1 8.968 ppm2 4.896
ASSI { 2930}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "48 " and name "HB2 ")
3.700 1.700 1.700 peak 2930 weight 0.10000E+01 volume 0.21700E+00 ppm1 8.969 ppm2 3.192
ASSI { 2920}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "47 " and name "HB ")
2.800 1.000 1.000 peak 2920 weight 0.10000E+01 volume 0.12200E+01 ppm1 8.996 ppm2 1.538
ASSI { 3504}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "98 " and name "HB ")
2.900 1.100 1.100 peak 3504 weight 0.10000E+01 volume 0.11050E+01 ppm1 9.292 ppm2 1.906
ASSI { 3485}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "11 " and name "HG1 ")
3.500 1.500 1.500 peak 3485 weight 0.10000E+01 volume 0.30900E+00 ppm1 9.290 ppm2 1.231
OR { 3485}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "11 " and name "HG2 ")
ASSI { 2657}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "28 " and name "HD11")
2.900 1.100 1.100 peak 2657 weight 0.10000E+01 volume 0.14990E+01 ppm1 9.750 ppm2 0.791
OR { 2657}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "28 " and name "HD12")
OR { 2657}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "28 " and name "HD23")
OR { 2657}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "28 " and name "HD22")
OR { 2657}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "28 " and name "HD21")
ASSI { 2661}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "28 " and name "HA ")
2.900 1.100 1.100 peak 2661 weight 0.10000E+01 volume 0.72200E+00 ppm1 9.750 ppm2 4.273
ASSI { 3396}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "87 " and name "HB2 ")
3.000 1.100 1.100 peak 3396 weight 0.10000E+01 volume 0.89200E+00 ppm1 9.046 ppm2 2.123
OR { 3396}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "87 " and name "HB1 ")
OR { 3396}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "87 " and name "HG2 ")
ASSI { 3395}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "88 " and name "HB2 ")
2.900 1.100 1.100 peak 3395 weight 0.10000E+01 volume 0.97300E+00 ppm1 9.042 ppm2 2.569
ASSI { 2642}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "26 " and name "HB ")
3.100 1.200 1.200 peak 2642 weight 0.10000E+01 volume 0.63400E+00 ppm1 8.806 ppm2 1.797
ASSI { 2603}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "25 " and name "HB1 ")
2.700 0.900 0.900 peak 2603 weight 0.10000E+01 volume 0.22320E+01 ppm1 9.433 ppm2 1.177
OR { 2603}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "25 " and name "HB3 ")
OR { 2603}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "25 " and name "HB2 ")
ASSI { 2608}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "47 " and name "HG11")
3.500 1.500 1.500 peak 2608 weight 0.10000E+01 volume 0.48700E+00 ppm1 9.433 ppm2 0.477
OR { 2608}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "47 " and name "HG21")
OR { 2608}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "47 " and name "HG12")
OR { 2608}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "47 " and name "HG23")
OR { 2608}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "47 " and name "HG13")
ASSI { 3623}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "52 " and name "HA ")
3.300 1.400 1.400 peak 3623 weight 0.10000E+01 volume 0.35000E+00 ppm1 9.728 ppm2 4.802
ASSI { 2263}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "82 " and name "HB2 ")
3.300 1.400 1.400 peak 2263 weight 0.10000E+01 volume 0.50400E+00 ppm1 9.736 ppm2 1.766
ASSI { 2728}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "31 " and name "HD1 ")
4.100 2.100 1.900 peak 2728 weight 0.10000E+01 volume 0.17000E+00 ppm1 7.861 ppm2 7.389
ASSI { 697}
(segid " " and resid "103 " and name "HE1 ")
(segid " " and resid "103 " and name "HB1 ")
4.100 2.100 1.900 peak 697 weight 0.10000E+01 volume 0.13200E+00 ppm1 10.021 ppm2 3.085
ASSI { 3502}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "98 " and name "HG21")
4.000 2.000 2.000 peak 3502 weight 0.10000E+01 volume 0.21400E+00 ppm1 8.371 ppm2 0.879
OR { 3502}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "98 " and name "HG23")
OR { 3502}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "98 " and name "HG22")
ASSI { 3494}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "96 " and name "HG12")
2.500 0.800 0.800 peak 3494 weight 0.10000E+01 volume 0.33540E+01 ppm1 8.366 ppm2 0.704
OR { 3494}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "96 " and name "HG13")
OR { 3494}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "96 " and name "HG11")
ASSI { 3691}
(segid " " and resid "56 " and name "HE ")
(segid " " and resid "56 " and name "HG2 ")
3.600 1.600 1.600 peak 3691 weight 0.10000E+01 volume 0.37600E+00 ppm1 7.238 ppm2 1.780
OR { 3691}
(segid " " and resid "56 " and name "HE ")
(segid " " and resid "56 " and name "HG1 ")
ASSI { 3684}
(segid " " and resid "10 " and name "HE ")
(segid " " and resid "10 " and name "HB1 ")
3.400 1.400 1.400 peak 3684 weight 0.10000E+01 volume 0.59300E+00 ppm1 8.287 ppm2 1.996
ASSI { 3688}
(segid " " and resid "56 " and name "HE ")
(segid " " and resid "56 " and name "HD1 ")
2.800 1.000 1.000 peak 3688 weight 0.10000E+01 volume 0.17470E+01 ppm1 7.339 ppm2 3.174
OR { 3688}
(segid " " and resid "56 " and name "HE ")
(segid " " and resid "56 " and name "HD2 ")
ASSI { 3700}
(segid " " and resid "66 " and name "HE22")
(segid " " and resid "46 " and name "HG13")
3.800 1.800 1.800 peak 3700 weight 0.10000E+01 volume 0.29900E+00 ppm1 6.878 ppm2 0.694
OR { 3700}
(segid " " and resid "66 " and name "HE22")
(segid " " and resid "46 " and name "HG11")
OR { 3700}
(segid " " and resid "66 " and name "HE22")
(segid " " and resid "46 " and name "HG12")
ASSI { 2872}
(segid " " and resid "80 " and name "HN ")
(segid " " and resid "79 " and name "HB1 ")
3.000 1.100 1.100 peak 2872 weight 0.10000E+01 volume 0.89100E+00 ppm1 8.866 ppm2 2.679
ASSI { 3050}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "56 " and name "HN ")
2.700 0.900 0.900 peak 3050 weight 0.10000E+01 volume 0.11340E+01 ppm1 7.739 ppm2 9.148
ASSI { 2746}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "36 " and name "HN ")
3.600 1.600 1.600 peak 2746 weight 0.10000E+01 volume 0.18800E+00 ppm1 7.408 ppm2 8.732
ASSI { 2735}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "34 " and name "HG2 ")
2.600 0.800 0.800 peak 2735 weight 0.10000E+01 volume 0.22480E+01 ppm1 7.409 ppm2 1.321
ASSI { 2739}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "35 " and name "HB2 ")
2.900 1.100 1.100 peak 2739 weight 0.10000E+01 volume 0.10860E+01 ppm1 7.408 ppm2 3.089
OR { 2739}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "35 " and name "HB1 ")
ASSI { 3310}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "39 " and name "HD12")
3.400 1.400 1.400 peak 3310 weight 0.10000E+01 volume 0.57600E+00 ppm1 8.798 ppm2 0.974
OR { 3310}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "39 " and name "HD23")
OR { 3310}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "39 " and name "HD11")
OR { 3310}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "39 " and name "HD21")
ASSI { 3311}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "42 " and name "HA ")
3.900 1.900 1.900 peak 3311 weight 0.10000E+01 volume 0.14000E+00 ppm1 8.800 ppm2 5.226
ASSI { 3644}
(segid " " and resid "89 " and name "HE21")
(segid " " and resid "90 " and name "HN ")
4.100 2.100 1.900 peak 3644 weight 0.10000E+01 volume 0.94000E-01 ppm1 7.414 ppm2 9.016
ASSI { 2513}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "13 " and name "HA ")
3.300 1.400 1.400 peak 2513 weight 0.10000E+01 volume 0.40200E+00 ppm1 7.603 ppm2 5.081
ASSI { 3148}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "77 " and name "HD22")
3.900 1.900 1.900 peak 3148 weight 0.10000E+01 volume 0.24100E+00 ppm1 9.411 ppm2 0.320
OR { 3148}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "77 " and name "HD21")
OR { 3148}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "77 " and name "HD23")
ASSI { 3035}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "54 " and name "HB1 ")
2.500 0.800 0.800 peak 3035 weight 0.10000E+01 volume 0.22530E+01 ppm1 9.140 ppm2 1.924
ASSI { 3042}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "54 " and name "HE1 ")
3.900 1.900 1.900 peak 3042 weight 0.10000E+01 volume 0.17800E+00 ppm1 9.145 ppm2 2.888
OR { 3042}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "54 " and name "HE2 ")
ASSI { 2960}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "51 " and name "HB2 ")
3.600 1.600 1.600 peak 2960 weight 0.10000E+01 volume 0.26600E+00 ppm1 8.577 ppm2 3.614
ASSI { 3151}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "50 " and name "HD1 ")
3.300 1.400 1.400 peak 3151 weight 0.10000E+01 volume 0.10030E+01 ppm1 9.076 ppm2 7.118
ASSI { 2547}
(segid " " and resid "19 " and name "HN ")
(segid " " and resid "19 " and name "HA ")
2.900 1.100 1.100 peak 2547 weight 0.10000E+01 volume 0.74400E+00 ppm1 9.819 ppm2 4.365
ASSI { 3359}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "82 " and name "HA ")
3.600 1.600 1.600 peak 3359 weight 0.10000E+01 volume 0.20400E+00 ppm1 7.258 ppm2 2.885
ASSI { 3032}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "53 " and name "HN ")
3.700 1.700 1.700 peak 3032 weight 0.10000E+01 volume 0.15500E+00 ppm1 7.421 ppm2 8.303
ASSI { 2782}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "37 " and name "HG1 ")
3.700 1.700 1.700 peak 2782 weight 0.10000E+01 volume 0.25400E+00 ppm1 8.441 ppm2 1.904
OR { 2782}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "37 " and name "HB1 ")
ASSI { 3074}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "60 " and name "HN ")
3.800 1.800 1.800 peak 3074 weight 0.10000E+01 volume 0.14400E+00 ppm1 7.327 ppm2 8.665
ASSI { 2681}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "30 " and name "HB1 ")
2.500 0.800 0.800 peak 2681 weight 0.10000E+01 volume 0.25870E+01 ppm1 8.300 ppm2 2.575
OR { 2681}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "30 " and name "HB2 ")
ASSI { 2445}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "10 " and name "HB1 ")
2.800 1.000 1.000 peak 2445 weight 0.10000E+01 volume 0.12250E+01 ppm1 9.366 ppm2 1.996
ASSI { 3404}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "89 " and name "HB2 ")
2.500 0.800 0.800 peak 3404 weight 0.10000E+01 volume 0.27490E+01 ppm1 7.657 ppm2 1.927
OR { 3404}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "89 " and name "HB1 ")
ASSI { 3558}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "102 " and name "HB1 ")
2.900 1.100 1.100 peak 3558 weight 0.10000E+01 volume 0.10930E+01 ppm1 8.490 ppm2 1.592
ASSI { 3556}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "102 " and name "HB2 ")
2.800 1.000 1.000 peak 3556 weight 0.10000E+01 volume 0.13100E+01 ppm1 8.489 ppm2 1.362
ASSI { 2483}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "12 " and name "HB1 ")
3.100 1.200 1.200 peak 2483 weight 0.10000E+01 volume 0.69600E+00 ppm1 9.174 ppm2 1.328
ASSI { 3573}
(segid " " and resid "103 " and name "HN ")
(segid " " and resid "102 " and name "HB1 ")
3.600 1.600 1.600 peak 3573 weight 0.10000E+01 volume 0.30000E+00 ppm1 7.441 ppm2 1.592
ASSI { 3552}
(segid " " and resid "103 " and name "HN ")
(segid " " and resid "101 " and name "HB1 ")
3.300 1.400 1.400 peak 3552 weight 0.10000E+01 volume 0.48900E+00 ppm1 7.443 ppm2 2.981
ASSI { 2626}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "87 " and name "HA ")
3.000 1.100 1.100 peak 2626 weight 0.10000E+01 volume 0.60400E+00 ppm1 8.405 ppm2 4.220
ASSI { 2623}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "25 " and name "HB3 ")
2.600 0.800 0.800 peak 2623 weight 0.10000E+01 volume 0.25370E+01 ppm1 8.404 ppm2 1.181
OR { 2623}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "25 " and name "HB2 ")
OR { 2623}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "25 " and name "HB1 ")
ASSI { 2431}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "10 " and name "HB2 ")
2.600 0.800 0.800 peak 2431 weight 0.10000E+01 volume 0.19290E+01 ppm1 7.818 ppm2 1.569
OR { 2431}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "10 " and name "HG1 ")
ASSI { 2435}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "9 " and name "HA ")
2.900 1.100 1.100 peak 2435 weight 0.10000E+01 volume 0.77700E+00 ppm1 7.818 ppm2 4.725
ASSI { 3227}
(segid " " and resid "69 " and name "HN ")
(segid " " and resid "70 " and name "HD1 ")
4.600 2.600 1.400 peak 3227 weight 0.10000E+01 volume 0.13000E+00 ppm1 7.930 ppm2 7.011
OR { 3227}
(segid " " and resid "69 " and name "HN ")
(segid " " and resid "70 " and name "HD2 ")
ASSI { 2980}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "25 " and name "HB3 ")
3.000 1.100 1.100 peak 2980 weight 0.10000E+01 volume 0.10680E+01 ppm1 8.598 ppm2 1.179
OR { 2980}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "25 " and name "HB2 ")
ASSI { 2987}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "27 " and name "HA ")
3.200 1.300 1.300 peak 2987 weight 0.10000E+01 volume 0.44500E+00 ppm1 8.600 ppm2 4.560
ASSI { 2888}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "44 " and name "HN ")
2.400 0.700 0.700 peak 2888 weight 0.10000E+01 volume 0.21020E+01 ppm1 8.081 ppm2 8.809
ASSI { 2998}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "13 " and name "HA ")
3.800 1.800 1.800 peak 2998 weight 0.10000E+01 volume 0.14500E+00 ppm1 8.615 ppm2 5.076
ASSI { 2555}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "20 " and name "HB1 ")
2.800 1.000 1.000 peak 2555 weight 0.10000E+01 volume 0.11300E+01 ppm1 8.164 ppm2 3.314
ASSI { 3476}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "13 " and name "HN ")
3.900 1.900 1.900 peak 3476 weight 0.10000E+01 volume 0.12900E+00 ppm1 7.507 ppm2 9.187
ASSI { 3092}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "57 " and name "HA1 ")
3.900 1.900 1.900 peak 3092 weight 0.10000E+01 volume 0.13700E+00 ppm1 7.947 ppm2 4.692
ASSI { 3168}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "66 " and name "HN ")
3.000 3.000 2.000 peak 3168 weight 0.10000E+01 volume 0.59700E+00 ppm1 8.967 ppm2 8.787
ASSI { 3172}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "74 " and name "HB2 ")
4.400 2.400 1.600 peak 3172 weight 0.10000E+01 volume 0.11200E+00 ppm1 8.970 ppm2 1.265
OR { 3172}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "74 " and name "HB1 ")
OR { 3172}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "74 " and name "HB3 ")
ASSI { 3162}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "65 " and name "HG12")
2.600 0.800 0.800 peak 3162 weight 0.10000E+01 volume 0.30560E+01 ppm1 8.967 ppm2 1.031
OR { 3162}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "65 " and name "HG13")
OR { 3162}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "65 " and name "HG11")
ASSI { 3118}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "60 " and name "HB1 ")
3.200 1.300 1.300 peak 3118 weight 0.10000E+01 volume 0.54000E+00 ppm1 8.766 ppm2 3.079
OR { 3118}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "60 " and name "HB2 ")
ASSI { 3114}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "81 " and name "HA ")
3.300 1.400 1.400 peak 3114 weight 0.10000E+01 volume 0.35800E+00 ppm1 8.771 ppm2 4.649
ASSI { 3010}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "52 " and name "HB2 ")
3.500 1.500 1.500 peak 3010 weight 0.10000E+01 volume 0.33800E+00 ppm1 8.288 ppm2 1.413
ASSI { 2393}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "5 " and name "HD1 ")
3.900 1.900 1.900 peak 2393 weight 0.10000E+01 volume 0.16400E+00 ppm1 7.932 ppm2 3.862
ASSI { 3595}
(segid " " and resid "106 " and name "HN ")
(segid " " and resid "106 " and name "HD2 ")
4.200 2.200 1.800 peak 3595 weight 0.10000E+01 volume 0.24800E+00 ppm1 7.580 ppm2 6.780
OR { 3595}
(segid " " and resid "106 " and name "HN ")
(segid " " and resid "106 " and name "HD1 ")
ASSI { 3427}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "89 " and name "HG2 ")
3.200 1.300 1.300 peak 3427 weight 0.10000E+01 volume 0.54300E+00 ppm1 9.008 ppm2 2.150
ASSI { 3482}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "95 " and name "HA ")
2.600 0.800 0.800 peak 3482 weight 0.10000E+01 volume 0.14480E+01 ppm1 8.545 ppm2 4.525
ASSI { 3277}
(segid " " and resid "74 " and name "HN ")
(segid " " and resid "72 " and name "HA ")
3.900 3.900 1.100 peak 3277 weight 0.10000E+01 volume 0.12800E+00 ppm1 8.092 ppm2 4.595
ASSI { 2708}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "40 " and name "HG23")
4.000 2.000 2.000 peak 2708 weight 0.10000E+01 volume 0.20200E+00 ppm1 9.142 ppm2 1.227
OR { 2708}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "40 " and name "HG22")
OR { 2708}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "40 " and name "HG21")
ASSI { 3520}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "99 " and name "HG1 ")
2.600 0.800 0.800 peak 3520 weight 0.10000E+01 volume 0.21410E+01 ppm1 8.516 ppm2 1.608
OR { 3520}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "99 " and name "HG2 ")
ASSI { 3605}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "106 " and name "HN ")
3.500 1.500 1.500 peak 3605 weight 0.10000E+01 volume 0.22400E+00 ppm1 8.231 ppm2 7.571
ASSI { 2362}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "48 " and name "HE2 ")
4.300 2.300 1.700 peak 2362 weight 0.10000E+01 volume 0.19400E+00 ppm1 9.177 ppm2 6.797
OR { 2362}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "48 " and name "HE1 ")
ASSI { 3175}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "65 " and name "HG22")
2.900 1.100 1.100 peak 3175 weight 0.10000E+01 volume 0.14460E+01 ppm1 8.777 ppm2 1.035
OR { 3175}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "65 " and name "HG21")
OR { 3175}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "65 " and name "HG23")
ASSI { 3183}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "46 " and name "HG13")
4.100 2.100 1.900 peak 3183 weight 0.10000E+01 volume 0.17000E+00 ppm1 8.778 ppm2 0.694
OR { 3183}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "46 " and name "HG12")
OR { 3183}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "46 " and name "HG11")
ASSI { 3292}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "76 " and name "HB2 ")
3.100 1.200 1.200 peak 3292 weight 0.10000E+01 volume 0.68400E+00 ppm1 8.153 ppm2 1.761
OR { 3292}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "76 " and name "HB1 ")
ASSI { 3512}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "99 " and name "HN ")
3.400 1.400 1.400 peak 3512 weight 0.10000E+01 volume 0.27800E+00 ppm1 9.292 ppm2 8.524
ASSI { 3391}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "88 " and name "HA ")
2.900 1.100 1.100 peak 3391 weight 0.10000E+01 volume 0.84100E+00 ppm1 9.048 ppm2 4.940
ASSI { 2714}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "31 " and name "HB1 ")
3.400 1.400 1.400 peak 2714 weight 0.10000E+01 volume 0.36500E+00 ppm1 7.983 ppm2 2.646
ASSI { 2647}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "25 " and name "HB3 ")
4.100 2.100 1.900 peak 2647 weight 0.10000E+01 volume 0.16800E+00 ppm1 8.804 ppm2 1.197
OR { 2647}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "25 " and name "HB1 ")
OR { 2647}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "25 " and name "HB2 ")
ASSI { 2818}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "40 " and name "HG23")
2.800 1.000 1.000 peak 2818 weight 0.10000E+01 volume 0.19160E+01 ppm1 9.118 ppm2 1.228
OR { 2818}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "40 " and name "HG22")
OR { 2818}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "40 " and name "HG21")
ASSI { 2607}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "25 " and name "HA ")
2.900 1.100 1.100 peak 2607 weight 0.10000E+01 volume 0.72600E+00 ppm1 9.432 ppm2 5.279
ASSI { 2533}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "49 " and name "HG21")
3.800 1.800 1.800 peak 2533 weight 0.10000E+01 volume 0.28000E+00 ppm1 9.432 ppm2 1.046
OR { 2533}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "49 " and name "HG22")
OR { 2533}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "49 " and name "HG23")
ASSI { 2723}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "33 " and name "HA ")
2.800 1.000 1.000 peak 2723 weight 0.10000E+01 volume 0.10010E+01 ppm1 7.853 ppm2 4.037
ASSI { 2734}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "31 " and name "HE1 ")
4.900 3.000 1.100 peak 2734 weight 0.10000E+01 volume 0.92000E-01 ppm1 7.849 ppm2 6.938
ASSI { 2867}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "27 " and name "HB3 ")
2.600 0.800 0.800 peak 2867 weight 0.10000E+01 volume 0.25850E+01 ppm1 8.809 ppm2 1.403
OR { 2867}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "27 " and name "HB2 ")
ASSI { 2879}
(segid " " and resid "80 " and name "HN ")
(segid " " and resid "62 " and name "HA1 ")
3.500 1.500 1.500 peak 2879 weight 0.10000E+01 volume 0.27500E+00 ppm1 8.867 ppm2 4.649
ASSI { 2875}
(segid " " and resid "80 " and name "HN ")
(segid " " and resid "79 " and name "HB2 ")
3.300 1.400 1.400 peak 2875 weight 0.10000E+01 volume 0.51000E+00 ppm1 8.861 ppm2 1.991
ASSI { 2882}
(segid " " and resid "80 " and name "HN ")
(segid " " and resid "80 " and name "HB2 ")
3.600 1.600 1.600 peak 2882 weight 0.10000E+01 volume 0.27100E+00 ppm1 8.863 ppm2 2.506
ASSI { 2871}
(segid " " and resid "80 " and name "HN ")
(segid " " and resid "80 " and name "HD2 ")
3.100 1.200 1.200 peak 2871 weight 0.10000E+01 volume 0.14330E+01 ppm1 8.865 ppm2 6.925
OR { 2871}
(segid " " and resid "80 " and name "HN ")
(segid " " and resid "80 " and name "HD1 ")
ASSI { 2880}
(segid " " and resid "80 " and name "HN ")
(segid " " and resid "62 " and name "HA2 ")
3.300 1.400 1.400 peak 2880 weight 0.10000E+01 volume 0.35600E+00 ppm1 8.863 ppm2 3.082
ASSI { 2881}
(segid " " and resid "80 " and name "HN ")
(segid " " and resid "80 " and name "HB1 ")
3.100 1.200 1.200 peak 2881 weight 0.10000E+01 volume 0.70300E+00 ppm1 8.863 ppm2 3.443
ASSI { 3052}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "55 " and name "HA1 ")
3.300 1.400 1.400 peak 3052 weight 0.10000E+01 volume 0.37400E+00 ppm1 7.745 ppm2 4.010
ASSI { 2586}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "22 " and name "HN ")
2.500 0.800 0.800 peak 2586 weight 0.10000E+01 volume 0.17790E+01 ppm1 7.618 ppm2 9.127
ASSI { 2744}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "33 " and name "HA ")
3.200 1.300 1.300 peak 2744 weight 0.10000E+01 volume 0.40400E+00 ppm1 7.409 ppm2 4.038
ASSI { 2590}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "23 " and name "HA ")
3.000 1.100 1.100 peak 2590 weight 0.10000E+01 volume 0.61300E+00 ppm1 7.620 ppm2 4.916
ASSI { 2745}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "34 " and name "HG1 ")
3.500 1.500 1.500 peak 2745 weight 0.10000E+01 volume 0.30600E+00 ppm1 7.406 ppm2 1.490
ASSI { 2743}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "34 " and name "HB1 ")
3.500 1.500 1.500 peak 2743 weight 0.10000E+01 volume 0.30900E+00 ppm1 7.405 ppm2 2.124
ASSI { 3306}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "79 " and name "HN ")
3.600 1.600 1.600 peak 3306 weight 0.10000E+01 volume 0.18200E+00 ppm1 8.801 ppm2 8.501
ASSI { 2521}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "16 " and name "HN ")
4.000 2.000 2.000 peak 2521 weight 0.10000E+01 volume 0.10300E+00 ppm1 7.602 ppm2 8.998
ASSI { 2506}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "18 " and name "HN ")
3.100 1.200 1.200 peak 2506 weight 0.10000E+01 volume 0.52700E+00 ppm1 7.600 ppm2 8.440
ASSI { 3146}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "39 " and name "HD11")
3.600 1.600 1.600 peak 3146 weight 0.10000E+01 volume 0.38300E+00 ppm1 9.419 ppm2 0.940
OR { 3146}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "39 " and name "HD12")
OR { 3146}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "39 " and name "HD13")
ASSI { 3143}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "64 " and name "HN ")
3.500 1.500 1.500 peak 3143 weight 0.10000E+01 volume 0.21200E+00 ppm1 9.410 ppm2 9.078
ASSI { 3138}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "80 " and name "HE2 ")
3.300 1.400 1.400 peak 3138 weight 0.10000E+01 volume 0.11030E+01 ppm1 9.415 ppm2 6.951
OR { 3138}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "80 " and name "HD2 ")
ASSI { 3141}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "77 " and name "HB2 ")
3.400 1.400 1.400 peak 3141 weight 0.10000E+01 volume 0.40100E+00 ppm1 9.414 ppm2 1.300
OR { 3141}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "77 " and name "HB1 ")
OR { 3141}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "77 " and name "HG ")
ASSI { 3038}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "54 " and name "HG2 ")
3.200 1.300 1.300 peak 3038 weight 0.10000E+01 volume 0.61600E+00 ppm1 9.141 ppm2 1.306
OR { 3038}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "54 " and name "HG1 ")
ASSI { 3192}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "66 " and name "HB2 ")
3.400 1.400 1.400 peak 3192 weight 0.10000E+01 volume 0.36500E+00 ppm1 8.475 ppm2 1.884
ASSI { 2953}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "49 " and name "HG12")
2.900 1.100 1.100 peak 2953 weight 0.10000E+01 volume 0.12570E+01 ppm1 8.580 ppm2 0.686
OR { 2953}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "49 " and name "HG13")
OR { 2953}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "49 " and name "HG11")
ASSI { 3657}
(segid " " and resid "45 " and name "HE21")
(segid " " and resid "65 " and name "HG23")
3.200 1.300 1.300 peak 3657 weight 0.10000E+01 volume 0.81400E+00 ppm1 7.750 ppm2 1.038
OR { 3657}
(segid " " and resid "45 " and name "HE21")
(segid " " and resid "65 " and name "HG22")
OR { 3657}
(segid " " and resid "45 " and name "HE21")
(segid " " and resid "65 " and name "HG21")
ASSI { 3681}
(segid " " and resid "45 " and name "HE22")
(segid " " and resid "65 " and name "HG23")
3.200 1.300 1.300 peak 3681 weight 0.10000E+01 volume 0.82500E+00 ppm1 6.917 ppm2 1.037
OR { 3681}
(segid " " and resid "45 " and name "HE22")
(segid " " and resid "65 " and name "HG22")
OR { 3681}
(segid " " and resid "45 " and name "HE22")
(segid " " and resid "65 " and name "HG21")
ASSI { 2411}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "6 " and name "HA ")
3.200 1.300 1.300 peak 2411 weight 0.10000E+01 volume 0.47900E+00 ppm1 6.569 ppm2 2.909
ASSI { 2356}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "8 " and name "HB2 ")
2.900 1.100 1.100 peak 2356 weight 0.10000E+01 volume 0.13470E+01 ppm1 6.572 ppm2 1.714
OR { 2356}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "8 " and name "HB3 ")
OR { 2356}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "8 " and name "HB1 ")
ASSI { 3159}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "49 " and name "HA ")
3.500 1.500 1.500 peak 3159 weight 0.10000E+01 volume 0.26000E+00 ppm1 9.077 ppm2 4.369
ASSI { 3150}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "63 " and name "HA2 ")
2.700 0.900 0.900 peak 3150 weight 0.10000E+01 volume 0.11510E+01 ppm1 9.073 ppm2 4.705
ASSI { 2676}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "30 " and name "HN ")
3.400 1.400 1.400 peak 2676 weight 0.10000E+01 volume 0.30100E+00 ppm1 7.415 ppm2 8.313
ASSI { 3348}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "82 " and name "HB1 ")
3.700 1.700 1.700 peak 3348 weight 0.10000E+01 volume 0.23300E+00 ppm1 7.668 ppm2 1.388
ASSI { 3340}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "82 " and name "HA ")
3.300 1.400 1.400 peak 3340 weight 0.10000E+01 volume 0.37500E+00 ppm1 7.668 ppm2 2.879
ASSI { 3349}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "84 " and name "HG22")
2.700 0.900 0.900 peak 3349 weight 0.10000E+01 volume 0.19730E+01 ppm1 7.262 ppm2 0.802
OR { 3349}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "84 " and name "HG23")
ASSI { 2751}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "36 " and name "HB2 ")
2.700 0.900 0.900 peak 2751 weight 0.10000E+01 volume 0.14620E+01 ppm1 8.727 ppm2 3.339
ASSI { 2750}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "35 " and name "HA ")
2.600 0.800 0.800 peak 2750 weight 0.10000E+01 volume 0.16670E+01 ppm1 8.729 ppm2 4.570
ASSI { 3023}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "53 " and name "HB2 ")
3.000 1.100 1.100 peak 3023 weight 0.10000E+01 volume 0.84400E+00 ppm1 7.419 ppm2 1.084
ASSI { 2775}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "37 " and name "HN ")
2.600 0.800 0.800 peak 2775 weight 0.10000E+01 volume 0.12530E+01 ppm1 8.440 ppm2 9.332
ASSI { 3067}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "58 " and name "HD1 ")
3.200 1.300 1.300 peak 3067 weight 0.10000E+01 volume 0.58900E+00 ppm1 7.327 ppm2 3.225
OR { 3067}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "58 " and name "HD2 ")
ASSI { 3098}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "58 " and name "HA ")
3.200 1.300 1.300 peak 3098 weight 0.10000E+01 volume 0.41800E+00 ppm1 8.664 ppm2 4.306
ASSI { 3095}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "59 " and name "HB1 ")
2.900 1.100 1.100 peak 3095 weight 0.10000E+01 volume 0.97700E+00 ppm1 8.664 ppm2 0.925
OR { 3095}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "59 " and name "HB2 ")
ASSI { 2695}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "43 " and name "HG2 ")
3.500 1.500 1.500 peak 2695 weight 0.10000E+01 volume 0.31000E+00 ppm1 8.302 ppm2 1.333
OR { 2695}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "43 " and name "HG1 ")
ASSI { 2686}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "43 " and name "HB2 ")
3.000 1.100 1.100 peak 2686 weight 0.10000E+01 volume 0.88000E+00 ppm1 8.301 ppm2 1.438
ASSI { 2692}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "43 " and name "HB1 ")
3.500 1.500 1.500 peak 2692 weight 0.10000E+01 volume 0.35000E+00 ppm1 8.300 ppm2 1.666
ASSI { 3313}
(segid " " and resid "79 " and name "HN ")
(segid " " and resid "38 " and name "HA ")
2.700 0.900 0.900 peak 3313 weight 0.10000E+01 volume 0.11770E+01 ppm1 8.500 ppm2 5.386
ASSI { 3695}
(segid " " and resid "7 " and name "HN ")
(segid " " and resid "7 " and name "HB2 ")
3.200 1.300 1.300 peak 3695 weight 0.10000E+01 volume 0.52000E+00 ppm1 3.985 ppm2 0.879
OR { 3695}
(segid " " and resid "7 " and name "HN ")
(segid " " and resid "7 " and name "HG ")
ASSI { 3414}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "24 " and name "HB1 ")
2.900 1.100 1.100 peak 3414 weight 0.10000E+01 volume 0.97500E+00 ppm1 7.657 ppm2 1.809
OR { 3414}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "24 " and name "HE3 ")
OR { 3414}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "24 " and name "HE1 ")
ASSI { 3419}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "26 " and name "HN ")
3.900 1.900 1.900 peak 3419 weight 0.10000E+01 volume 0.11200E+00 ppm1 7.657 ppm2 8.393
ASSI { 3563}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "102 " and name "HG2 ")
3.500 1.500 1.500 peak 3563 weight 0.10000E+01 volume 0.34500E+00 ppm1 8.492 ppm2 0.348
ASSI { 3581}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "104 " and name "HB1 ")
2.900 1.100 1.100 peak 3581 weight 0.10000E+01 volume 0.93100E+00 ppm1 7.656 ppm2 1.592
ASSI { 2481}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "96 " and name "HN ")
2.800 1.000 1.000 peak 2481 weight 0.10000E+01 volume 0.83000E+00 ppm1 9.173 ppm2 8.547
ASSI { 2622}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "26 " and name "HB ")
2.500 0.800 0.800 peak 2622 weight 0.10000E+01 volume 0.24630E+01 ppm1 8.404 ppm2 1.801
ASSI { 2413}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "105 " and name "HD1 ")
4.600 2.600 1.400 peak 2413 weight 0.10000E+01 volume 0.13400E+00 ppm1 8.273 ppm2 7.051
OR { 2413}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "105 " and name "HD2 ")
ASSI { 3219}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "66 " and name "HB1 ")
4.100 2.100 1.900 peak 3219 weight 0.10000E+01 volume 0.13100E+00 ppm1 8.111 ppm2 2.207
ASSI { 3207}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "67 " and name "HN ")
2.800 1.000 1.000 peak 3207 weight 0.10000E+01 volume 0.96000E+00 ppm1 8.110 ppm2 8.472
ASSI { 3208}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "71 " and name "HN ")
2.700 0.900 0.900 peak 3208 weight 0.10000E+01 volume 0.11480E+01 ppm1 8.118 ppm2 7.770
ASSI { 2541}
(segid " " and resid "18 " and name "HN ")
(segid " " and resid "17 " and name "HA ")
3.300 1.400 1.400 peak 2541 weight 0.10000E+01 volume 0.36800E+00 ppm1 8.434 ppm2 4.382
ASSI { 2891}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "45 " and name "HB2 ")
2.700 0.900 0.900 peak 2891 weight 0.10000E+01 volume 0.15060E+01 ppm1 8.084 ppm2 1.958
ASSI { 2422}
(segid " " and resid "9 " and name "HN ")
(segid " " and resid "8 " and name "HA ")
2.500 0.800 0.800 peak 2422 weight 0.10000E+01 volume 0.18570E+01 ppm1 9.277 ppm2 4.283
ASSI { 2553}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "20 " and name "HB2 ")
2.700 0.900 0.900 peak 2553 weight 0.10000E+01 volume 0.15660E+01 ppm1 8.166 ppm2 2.736
ASSI { 2563}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "22 " and name "HB ")
2.700 0.900 0.900 peak 2563 weight 0.10000E+01 volume 0.15540E+01 ppm1 9.130 ppm2 1.269
ASSI { 2570}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "21 " and name "HB2 ")
3.500 1.500 1.500 peak 2570 weight 0.10000E+01 volume 0.35600E+00 ppm1 9.130 ppm2 0.988
ASSI { 3083}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "58 " and name "HA ")
2.900 1.100 1.100 peak 3083 weight 0.10000E+01 volume 0.74900E+00 ppm1 7.948 ppm2 4.296
ASSI { 3170}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "65 " and name "HA ")
3.100 1.200 1.200 peak 3170 weight 0.10000E+01 volume 0.50100E+00 ppm1 8.969 ppm2 4.652
ASSI { 3171}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "47 " and name "HG13")
4.200 2.200 1.800 peak 3171 weight 0.10000E+01 volume 0.15400E+00 ppm1 8.971 ppm2 0.490
OR { 3171}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "47 " and name "HG11")
OR { 3171}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "47 " and name "HG22")
OR { 3171}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "47 " and name "HG12")
ASSI { 3014}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "62 " and name "HN ")
3.800 1.800 1.800 peak 3014 weight 0.10000E+01 volume 0.14600E+00 ppm1 8.289 ppm2 9.278
ASSI { 3235}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "92 " and name "HB1 ")
2.900 1.100 1.100 peak 3235 weight 0.10000E+01 volume 0.93100E+00 ppm1 8.170 ppm2 1.804
ASSI { 3545}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "104 " and name "HN ")
3.500 1.500 1.500 peak 3545 weight 0.10000E+01 volume 0.23900E+00 ppm1 9.118 ppm2 7.657
ASSI { 3544}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "104 " and name "HB2 ")
3.500 1.500 1.500 peak 3544 weight 0.10000E+01 volume 0.34800E+00 ppm1 9.117 ppm2 2.451
ASSI { 3249}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "22 " and name "HG12")
4.200 2.200 1.800 peak 3249 weight 0.10000E+01 volume 0.13700E+00 ppm1 8.170 ppm2 0.567
OR { 3249}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "22 " and name "HD13")
OR { 3249}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "22 " and name "HD11")
ASSI { 3002}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "53 " and name "HG ")
2.800 1.000 1.000 peak 3002 weight 0.10000E+01 volume 0.13340E+01 ppm1 8.289 ppm2 1.806
ASSI { 3543}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "101 " and name "HB2 ")
3.300 1.400 1.400 peak 3543 weight 0.10000E+01 volume 0.46300E+00 ppm1 9.116 ppm2 2.630
ASSI { 3008}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "53 " and name "HB2 ")
3.100 1.200 1.200 peak 3008 weight 0.10000E+01 volume 0.63500E+00 ppm1 8.292 ppm2 1.086
ASSI { 2389}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "4 " and name "HG2 ")
3.300 1.400 1.400 peak 2389 weight 0.10000E+01 volume 0.45800E+00 ppm1 7.930 ppm2 2.520
ASSI { 3009}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "53 " and name "HD23")
3.500 1.500 1.500 peak 3009 weight 0.10000E+01 volume 0.46000E+00 ppm1 8.288 ppm2 0.777
OR { 3009}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "53 " and name "HD22")
OR { 3009}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "53 " and name "HD21")
ASSI { 2803}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "78 " and name "HA1 ")
4.000 2.000 2.000 peak 2803 weight 0.10000E+01 volume 0.11400E+00 ppm1 9.142 ppm2 4.195
ASSI { 2799}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "38 " and name "HB2 ")
3.400 1.400 1.400 peak 2799 weight 0.10000E+01 volume 0.41500E+00 ppm1 9.143 ppm2 3.130
ASSI { 2800}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "33 " and name "HB2 ")
3.700 1.700 1.700 peak 2800 weight 0.10000E+01 volume 0.33100E+00 ppm1 9.142 ppm2 1.324
OR { 2800}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "33 " and name "HB3 ")
OR { 2800}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "33 " and name "HB1 ")
ASSI { 2847}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "45 " and name "HG1 ")
3.200 1.300 1.300 peak 2847 weight 0.10000E+01 volume 0.56800E+00 ppm1 8.758 ppm2 2.440
OR { 2847}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "45 " and name "HG2 ")
ASSI { 3422}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "89 " and name "HB1 ")
2.800 1.000 1.000 peak 3422 weight 0.10000E+01 volume 0.12210E+01 ppm1 9.008 ppm2 1.927
OR { 3422}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "89 " and name "HB2 ")
ASSI { 3425}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "89 " and name "HN ")
3.300 1.400 1.400 peak 3425 weight 0.10000E+01 volume 0.33700E+00 ppm1 9.003 ppm2 7.655
ASSI { 3495}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "13 " and name "HB2 ")
4.000 2.000 2.000 peak 3495 weight 0.10000E+01 volume 0.15400E+00 ppm1 8.535 ppm2 3.369
ASSI { 3477}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "12 " and name "HB1 ")
3.800 1.800 1.800 peak 3477 weight 0.10000E+01 volume 0.19200E+00 ppm1 8.542 ppm2 1.392
ASSI { 3481}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "96 " and name "HB ")
2.500 0.800 0.800 peak 3481 weight 0.10000E+01 volume 0.27510E+01 ppm1 8.542 ppm2 1.609
ASSI { 2911}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "45 " and name "HG2 ")
3.000 1.100 1.100 peak 2911 weight 0.10000E+01 volume 0.84300E+00 ppm1 8.386 ppm2 2.417
OR { 2911}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "45 " and name "HG1 ")
ASSI { 2908}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "46 " and name "HG12")
3.200 1.300 1.300 peak 2908 weight 0.10000E+01 volume 0.79100E+00 ppm1 8.388 ppm2 0.690
OR { 2908}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "46 " and name "HG13")
OR { 2908}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "46 " and name "HG11")
ASSI { 2910}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "45 " and name "HB1 ")
3.000 1.100 1.100 peak 2910 weight 0.10000E+01 volume 0.77100E+00 ppm1 8.383 ppm2 2.149
ASSI { 2916}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "26 " and name "HG21")
4.200 2.200 1.800 peak 2916 weight 0.10000E+01 volume 0.15400E+00 ppm1 8.384 ppm2 0.844
OR { 2916}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "26 " and name "HG22")
OR { 2916}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "26 " and name "HG23")
ASSI { 2496}
(segid " " and resid "14 " and name "HN ")
(segid " " and resid "22 " and name "HG11")
4.200 2.200 1.800 peak 2496 weight 0.10000E+01 volume 0.10900E+00 ppm1 10.343 ppm2 1.804
ASSI { 2492}
(segid " " and resid "14 " and name "HN ")
(segid " " and resid "13 " and name "HB2 ")
3.200 1.300 1.300 peak 2492 weight 0.10000E+01 volume 0.55800E+00 ppm1 10.342 ppm2 3.361
ASSI { 2701}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "41 " and name "HB ")
3.100 1.200 1.200 peak 2701 weight 0.10000E+01 volume 0.64900E+00 ppm1 9.142 ppm2 1.468
ASSI { 3467}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "45 " and name "HG1 ")
4.100 2.100 1.900 peak 3467 weight 0.10000E+01 volume 0.12900E+00 ppm1 8.468 ppm2 2.560
ASSI { 3524}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "100 " and name "HN ")
3.400 1.400 1.400 peak 3524 weight 0.10000E+01 volume 0.29700E+00 ppm1 8.515 ppm2 7.861
ASSI { 3517}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "99 " and name "HB1 ")
2.400 0.700 0.700 peak 3517 weight 0.10000E+01 volume 0.29290E+01 ppm1 8.515 ppm2 1.928
OR { 3517}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "99 " and name "HB2 ")
ASSI { 3521}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "99 " and name "HA ")
2.700 0.900 0.900 peak 3521 weight 0.10000E+01 volume 0.12390E+01 ppm1 8.513 ppm2 4.592
ASSI { 3602}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "3 " and name "HA ")
3.100 1.200 1.200 peak 3602 weight 0.10000E+01 volume 0.57200E+00 ppm1 8.232 ppm2 4.094
ASSI { 3603}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "106 " and name "HB2 ")
3.300 1.400 1.400 peak 3603 weight 0.10000E+01 volume 0.42800E+00 ppm1 8.234 ppm2 3.000
OR { 3603}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "106 " and name "HB1 ")
ASSI { 3177}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "66 " and name "HB2 ")
2.700 0.900 0.900 peak 3177 weight 0.10000E+01 volume 0.16160E+01 ppm1 8.777 ppm2 1.891
ASSI { 2919}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "47 " and name "HG21")
2.800 1.000 1.000 peak 2919 weight 0.10000E+01 volume 0.17480E+01 ppm1 8.993 ppm2 0.482
OR { 2919}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "47 " and name "HG22")
OR { 2919}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "47 " and name "HG23")
ASSI { 3513}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "97 " and name "HN ")
3.300 1.400 1.400 peak 3513 weight 0.10000E+01 volume 0.30500E+00 ppm1 9.291 ppm2 8.358
ASSI { 2660}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "85 " and name "HG12")
3.300 1.400 1.400 peak 2660 weight 0.10000E+01 volume 0.67600E+00 ppm1 9.746 ppm2 0.492
OR { 2660}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "85 " and name "HG11")
OR { 2660}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "85 " and name "HG13")
ASSI { 2662}
(segid " " and resid "19 " and name "HN ")
(segid " " and resid "17 " and name "HB2 ")
3.500 1.500 1.500 peak 2662 weight 0.10000E+01 volume 0.30600E+00 ppm1 9.748 ppm2 1.828
ASSI { 2817}
(segid " " and resid "56 " and name "HN ")
(segid " " and resid "55 " and name "HA1 ")
2.400 0.700 0.700 peak 2817 weight 0.10000E+01 volume 0.26290E+01 ppm1 9.144 ppm2 4.000
ASSI { 2948}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "49 " and name "HG22")
3.900 1.900 1.900 peak 2948 weight 0.10000E+01 volume 0.24600E+00 ppm1 9.850 ppm2 1.116
OR { 2948}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "49 " and name "HG23")
OR { 2948}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "49 " and name "HG21")
ASSI { 3381}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "86 " and name "HG2 ")
3.100 1.200 1.200 peak 3381 weight 0.10000E+01 volume 0.64500E+00 ppm1 9.362 ppm2 1.385
ASSI { 3377}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "87 " and name "HA ")
2.800 1.000 1.000 peak 3377 weight 0.10000E+01 volume 0.89300E+00 ppm1 9.363 ppm2 4.228
ASSI { 2834}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "31 " and name "HB2 ")
3.600 1.600 1.600 peak 2834 weight 0.10000E+01 volume 0.27800E+00 ppm1 9.115 ppm2 2.900
ASSI { 2830}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "41 " and name "HG12")
3.400 1.400 1.400 peak 2830 weight 0.10000E+01 volume 0.45400E+00 ppm1 9.120 ppm2 0.694
ASSI { 2836}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "42 " and name "HN ")
3.800 1.800 1.800 peak 2836 weight 0.10000E+01 volume 0.14100E+00 ppm1 9.116 ppm2 8.760
ASSI { 2602}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "24 " and name "HA ")
2.200 0.600 0.600 peak 2602 weight 0.10000E+01 volume 0.41460E+01 ppm1 9.434 ppm2 4.907
ASSI { 3622}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "61 " and name "HH2 ")
4.300 2.300 1.700 peak 3622 weight 0.10000E+01 volume 0.21100E+00 ppm1 9.734 ppm2 7.132
ASSI { 718}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "52 " and name "HD1 ")
3.400 1.400 1.400 peak 718 weight 0.10000E+01 volume 0.40200E+00 ppm1 9.735 ppm2 1.163
ASSI { 3438}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "91 " and name "HA ")
2.900 1.100 1.100 peak 3438 weight 0.10000E+01 volume 0.74900E+00 ppm1 9.059 ppm2 4.362
ASSI { 3542}
(segid " " and resid "86 " and name "HE ")
(segid " " and resid "86 " and name "HG2 ")
3.400 1.400 1.400 peak 3542 weight 0.10000E+01 volume 0.51600E+00 ppm1 7.886 ppm2 1.387
ASSI { 3541}
(segid " " and resid "86 " and name "HE ")
(segid " " and resid "86 " and name "HD2 ")
3.200 1.300 1.300 peak 3541 weight 0.10000E+01 volume 0.72200E+00 ppm1 7.886 ppm2 3.152
ASSI { 3699}
(segid " " and resid "29 " and name "HE22")
(segid " " and resid "84 " and name "HG23")
3.500 1.500 1.500 peak 3699 weight 0.10000E+01 volume 0.43600E+00 ppm1 6.878 ppm2 0.794
OR { 3699}
(segid " " and resid "29 " and name "HE22")
(segid " " and resid "84 " and name "HG21")
ASSI { 3536}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "99 " and name "HB1 ")
2.800 1.000 1.000 peak 3536 weight 0.10000E+01 volume 0.11770E+01 ppm1 7.863 ppm2 1.952
ASSI { 3134}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "61 " and name "HD1 ")
4.200 2.200 1.800 peak 3134 weight 0.10000E+01 volume 0.22800E+00 ppm1 9.274 ppm2 7.557
ASSI { 3113}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "61 " and name "HB1 ")
3.000 1.100 1.100 peak 3113 weight 0.10000E+01 volume 0.85700E+00 ppm1 9.277 ppm2 3.250
ASSI { 3126}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "62 " and name "HA2 ")
2.800 1.000 1.000 peak 3126 weight 0.10000E+01 volume 0.90500E+00 ppm1 9.275 ppm2 3.067
ASSI { 3046}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "58 " and name "HN ")
2.400 0.700 0.700 peak 3046 weight 0.10000E+01 volume 0.20720E+01 ppm1 7.736 ppm2 7.329
ASSI { 2594}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "22 " and name "HD11")
3.500 1.500 1.500 peak 2594 weight 0.10000E+01 volume 0.39900E+00 ppm1 7.618 ppm2 0.515
OR { 2594}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "22 " and name "HG12")
OR { 2594}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "22 " and name "HD13")
OR { 2594}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "22 " and name "HD12")
ASSI { 3293}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "77 " and name "HA ")
2.400 0.700 0.700 peak 3293 weight 0.10000E+01 volume 0.26370E+01 ppm1 8.799 ppm2 4.686
ASSI { 3446}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "94 " and name "HA1 ")
2.600 0.800 0.800 peak 3446 weight 0.10000E+01 volume 0.16820E+01 ppm1 8.499 ppm2 3.788
ASSI { 3365}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "85 " and name "HG11")
2.900 1.100 1.100 peak 3365 weight 0.10000E+01 volume 0.13450E+01 ppm1 7.513 ppm2 0.492
OR { 3365}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "85 " and name "HG12")
OR { 3365}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "85 " and name "HG13")
ASSI { 3366}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "84 " and name "HA ")
3.000 1.100 1.100 peak 3366 weight 0.10000E+01 volume 0.62300E+00 ppm1 7.517 ppm2 4.335
ASSI { 3194}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "66 " and name "HB1 ")
3.400 1.400 1.400 peak 3194 weight 0.10000E+01 volume 0.39200E+00 ppm1 8.476 ppm2 2.188
ASSI { 2355}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "106 " and name "HD2 ")
4.200 2.200 1.800 peak 2355 weight 0.10000E+01 volume 0.22700E+00 ppm1 8.707 ppm2 6.710
OR { 2355}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "106 " and name "HE2 ")
ASSI { 2955}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "49 " and name "HA ")
2.900 1.100 1.100 peak 2955 weight 0.10000E+01 volume 0.77300E+00 ppm1 8.579 ppm2 4.364
ASSI { 3654}
(segid " " and resid "29 " and name "HE21")
(segid " " and resid "30 " and name "HN ")
3.400 1.400 1.400 peak 3654 weight 0.10000E+01 volume 0.26500E+00 ppm1 7.545 ppm2 8.261
ASSI { 3660}
(segid " " and resid "108 " and name "HE21")
(segid " " and resid "108 " and name "HB1 ")
4.200 2.200 1.800 peak 3660 weight 0.10000E+01 volume 0.11100E+00 ppm1 7.665 ppm2 2.228
ASSI { 2360}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "6 " and name "HB1 ")
3.100 1.200 1.200 peak 2360 weight 0.10000E+01 volume 0.65600E+00 ppm1 6.573 ppm2 1.380
ASSI { 3163}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "77 " and name "HD22")
4.300 2.300 1.700 peak 3163 weight 0.10000E+01 volume 0.13200E+00 ppm1 9.078 ppm2 0.302
OR { 3163}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "77 " and name "HD21")
OR { 3163}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "77 " and name "HD23")
ASSI { 3345}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "81 " and name "HA ")
3.400 1.400 1.400 peak 3345 weight 0.10000E+01 volume 0.28800E+00 ppm1 7.667 ppm2 4.631
ASSI { 2537}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "19 " and name "HB1 ")
3.800 1.800 1.800 peak 2537 weight 0.10000E+01 volume 0.18700E+00 ppm1 7.829 ppm2 3.550
ASSI { 2535}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "96 " and name "HG11")
4.100 2.100 1.900 peak 2535 weight 0.10000E+01 volume 0.17900E+00 ppm1 7.835 ppm2 0.702
OR { 2535}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "96 " and name "HG13")
OR { 2535}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "96 " and name "HG12")
OR { 2535}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "96 " and name "HG21")
ASSI { 3362}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "83 " and name "HB1 ")
4.000 2.000 2.000 peak 3362 weight 0.10000E+01 volume 0.14300E+00 ppm1 7.264 ppm2 3.701
ASSI { 3358}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "85 " and name "HG11")
3.700 1.700 1.700 peak 3358 weight 0.10000E+01 volume 0.34600E+00 ppm1 7.259 ppm2 0.486
OR { 3358}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "85 " and name "HG12")
OR { 3358}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "85 " and name "HG13")
ASSI { 3355}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "84 " and name "HD13")
3.300 1.400 1.400 peak 3355 weight 0.10000E+01 volume 0.67300E+00 ppm1 7.259 ppm2 0.671
OR { 3355}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "84 " and name "HD11")
OR { 3355}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "84 " and name "HD12")
ASSI { 3025}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "11 " and name "HA ")
2.900 1.100 1.100 peak 3025 weight 0.10000E+01 volume 0.78200E+00 ppm1 7.420 ppm2 4.897
ASSI { 2778}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "38 " and name "HB1 ")
3.200 1.300 1.300 peak 2778 weight 0.10000E+01 volume 0.60200E+00 ppm1 8.436 ppm2 3.779
ASSI { 3068}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "57 " and name "HA2 ")
3.100 1.200 1.200 peak 3068 weight 0.10000E+01 volume 0.50500E+00 ppm1 7.329 ppm2 3.541
ASSI { 3094}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "60 " and name "HD2 ")
3.400 1.400 1.400 peak 3094 weight 0.10000E+01 volume 0.83200E+00 ppm1 8.665 ppm2 7.020
OR { 3094}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "60 " and name "HD1 ")
ASSI { 2577}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "24 " and name "HB1 ")
2.900 1.100 1.100 peak 2577 weight 0.10000E+01 volume 0.10590E+01 ppm1 8.560 ppm2 1.785
ASSI { 2693}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "42 " and name "HA ")
3.600 1.600 1.600 peak 2693 weight 0.10000E+01 volume 0.21000E+00 ppm1 8.305 ppm2 5.254
ASSI { 2691}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "31 " and name "HN ")
3.300 1.400 1.400 peak 2691 weight 0.10000E+01 volume 0.32200E+00 ppm1 8.300 ppm2 9.151
ASSI { 3316}
(segid " " and resid "79 " and name "HN ")
(segid " " and resid "78 " and name "HA1 ")
2.900 1.100 1.100 peak 3316 weight 0.10000E+01 volume 0.78600E+00 ppm1 8.499 ppm2 4.191
ASSI { 2442}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "97 " and name "HA ")
3.300 1.400 1.400 peak 2442 weight 0.10000E+01 volume 0.36400E+00 ppm1 9.367 ppm2 5.091
ASSI { 2443}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "10 " and name "HA ")
2.400 0.700 0.700 peak 2443 weight 0.10000E+01 volume 0.24760E+01 ppm1 9.368 ppm2 5.206
ASSI { 3405}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "89 " and name "HA ")
2.600 0.800 0.800 peak 3405 weight 0.10000E+01 volume 0.15510E+01 ppm1 7.658 ppm2 4.526
ASSI { 2450}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "99 " and name "HA ")
3.100 1.200 1.200 peak 2450 weight 0.10000E+01 volume 0.50500E+00 ppm1 9.367 ppm2 4.594
ASSI { 3560}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "103 " and name "HN ")
3.000 1.100 1.100 peak 3560 weight 0.10000E+01 volume 0.65800E+00 ppm1 8.494 ppm2 7.443
ASSI { 3550}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "101 " and name "HB1 ")
2.700 0.900 0.900 peak 3550 weight 0.10000E+01 volume 0.16840E+01 ppm1 8.490 ppm2 2.987
ASSI { 3579}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "104 " and name "HB2 ")
2.700 0.900 0.900 peak 3579 weight 0.10000E+01 volume 0.15330E+01 ppm1 7.655 ppm2 2.440
ASSI { 3569}
(segid " " and resid "103 " and name "HN ")
(segid " " and resid "103 " and name "HA ")
3.000 1.100 1.100 peak 3569 weight 0.10000E+01 volume 0.70500E+00 ppm1 7.444 ppm2 4.349
ASSI { 2630}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "27 " and name "HN ")
3.600 1.600 1.600 peak 2630 weight 0.10000E+01 volume 0.20200E+00 ppm1 8.406 ppm2 8.815
ASSI { 2621}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "26 " and name "HG13")
2.700 0.900 0.900 peak 2621 weight 0.10000E+01 volume 0.23470E+01 ppm1 8.404 ppm2 0.850
OR { 2621}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "26 " and name "HG11")
OR { 2621}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "26 " and name "HG12")
ASSI { 2412}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "8 " and name "HN ")
4.100 2.100 1.900 peak 2412 weight 0.10000E+01 volume 0.97000E-01 ppm1 8.284 ppm2 6.563
ASSI { 2408}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "7 " and name "HN ")
3.500 1.500 1.500 peak 2408 weight 0.10000E+01 volume 0.23400E+00 ppm1 8.276 ppm2 4.014
ASSI { 2440}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "54 " and name "HN ")
3.700 1.700 1.700 peak 2440 weight 0.10000E+01 volume 0.18400E+00 ppm1 7.814 ppm2 7.406
ASSI { 2428}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "9 " and name "HN ")
2.300 0.700 0.700 peak 2428 weight 0.10000E+01 volume 0.32270E+01 ppm1 7.820 ppm2 9.278
ASSI { 2438}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "10 " and name "HB1 ")
3.200 1.300 1.300 peak 2438 weight 0.10000E+01 volume 0.54400E+00 ppm1 7.821 ppm2 1.990
ASSI { 3285}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "76 " and name "HA ")
2.700 0.900 0.900 peak 3285 weight 0.10000E+01 volume 0.12370E+01 ppm1 7.892 ppm2 4.317
ASSI { 3217}
(segid " " and resid "69 " and name "HN ")
(segid " " and resid "68 " and name "HA ")
2.500 0.800 0.800 peak 3217 weight 0.10000E+01 volume 0.18590E+01 ppm1 7.926 ppm2 4.621
ASSI { 3221}
(segid " " and resid "69 " and name "HN ")
(segid " " and resid "69 " and name "HA ")
2.600 0.800 0.800 peak 3221 weight 0.10000E+01 volume 0.13740E+01 ppm1 7.926 ppm2 4.476
ASSI { 3222}
(segid " " and resid "69 " and name "HN ")
(segid " " and resid "69 " and name "HD1 ")
3.500 1.500 1.500 peak 3222 weight 0.10000E+01 volume 0.79400E+00 ppm1 7.926 ppm2 6.859
OR { 3222}
(segid " " and resid "69 " and name "HN ")
(segid " " and resid "69 " and name "HD2 ")
ASSI { 2973}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "85 " and name "HA ")
2.400 0.700 0.700 peak 2973 weight 0.10000E+01 volume 0.25040E+01 ppm1 8.598 ppm2 5.331
ASSI { 2890}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "45 " and name "HA ")
2.700 0.900 0.900 peak 2890 weight 0.10000E+01 volume 0.12900E+01 ppm1 8.085 ppm2 4.252
ASSI { 2887}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "27 " and name "HB3 ")
2.600 0.800 0.800 peak 2887 weight 0.10000E+01 volume 0.25240E+01 ppm1 8.081 ppm2 1.388
OR { 2887}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "27 " and name "HB2 ")
ASSI { 2425}
(segid " " and resid "9 " and name "HN ")
(segid " " and resid "9 " and name "HB1 ")
3.000 1.100 1.100 peak 2425 weight 0.10000E+01 volume 0.82700E+00 ppm1 9.274 ppm2 2.894
ASSI { 2423}
(segid " " and resid "9 " and name "HN ")
(segid " " and resid "8 " and name "HB1 ")
2.800 1.000 1.000 peak 2423 weight 0.10000E+01 volume 0.16960E+01 ppm1 9.276 ppm2 1.714
OR { 2423}
(segid " " and resid "9 " and name "HN ")
(segid " " and resid "8 " and name "HB2 ")
OR { 2423}
(segid " " and resid "9 " and name "HN ")
(segid " " and resid "8 " and name "HB3 ")
ASSI { 2466}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HD12")
3.500 1.500 1.500 peak 2466 weight 0.10000E+01 volume 0.48600E+00 ppm1 8.885 ppm2 0.733
OR { 2466}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HD13")
OR { 2466}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HD11")
OR { 2466}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HD21")
OR { 2466}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HD23")
ASSI { 2560}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "50 " and name "HD2 ")
4.000 2.000 2.000 peak 2560 weight 0.10000E+01 volume 0.35200E+00 ppm1 8.169 ppm2 7.122
OR { 2560}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "50 " and name "HE2 ")
ASSI { 2571}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "21 " and name "HB1 ")
3.500 1.500 1.500 peak 2571 weight 0.10000E+01 volume 0.34400E+00 ppm1 9.129 ppm2 1.485
ASSI { 2569}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "22 " and name "HA ")
3.100 1.200 1.200 peak 2569 weight 0.10000E+01 volume 0.57900E+00 ppm1 9.128 ppm2 4.337
ASSI { 2566}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "22 " and name "HG11")
3.100 1.200 1.200 peak 2566 weight 0.10000E+01 volume 0.70900E+00 ppm1 9.129 ppm2 1.755
ASSI { 3079}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "58 " and name "HN ")
2.800 1.000 1.000 peak 3079 weight 0.10000E+01 volume 0.94300E+00 ppm1 7.949 ppm2 7.330
ASSI { 3109}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "61 " and name "HB2 ")
3.000 1.100 1.100 peak 3109 weight 0.10000E+01 volume 0.88900E+00 ppm1 8.769 ppm2 2.478
ASSI { 3112}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "61 " and name "HA ")
3.000 1.100 1.100 peak 3112 weight 0.10000E+01 volume 0.67700E+00 ppm1 8.769 ppm2 5.304
ASSI { 3236}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "92 " and name "HA ")
2.800 1.000 1.000 peak 3236 weight 0.10000E+01 volume 0.97300E+00 ppm1 8.172 ppm2 4.619
ASSI { 3538}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "101 " and name "HA ")
3.100 1.200 1.200 peak 3538 weight 0.10000E+01 volume 0.51000E+00 ppm1 9.122 ppm2 4.943
ASSI { 2791}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "39 " and name "HB2 ")
2.900 1.100 1.100 peak 2791 weight 0.10000E+01 volume 0.10680E+01 ppm1 9.143 ppm2 1.464
ASSI { 2760}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "37 " and name "HG2 ")
3.000 1.100 1.100 peak 2760 weight 0.10000E+01 volume 0.79600E+00 ppm1 9.328 ppm2 1.645
ASSI { 2768}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "35 " and name "HB1 ")
3.700 1.700 1.700 peak 2768 weight 0.10000E+01 volume 0.23200E+00 ppm1 9.325 ppm2 3.067
OR { 2768}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "35 " and name "HB2 ")
ASSI { 2853}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "43 " and name "HB2 ")
2.500 0.800 0.800 peak 2853 weight 0.10000E+01 volume 0.27400E+01 ppm1 8.994 ppm2 1.450
ASSI { 2863}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "30 " and name "HB2 ")
3.700 1.700 1.700 peak 2863 weight 0.10000E+01 volume 0.21800E+00 ppm1 8.990 ppm2 2.641
OR { 2863}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "30 " and name "HB1 ")
ASSI { 2855}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "45 " and name "HN ")
3.800 1.800 1.800 peak 2855 weight 0.10000E+01 volume 0.13300E+00 ppm1 8.756 ppm2 8.081
ASSI { 3424}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "89 " and name "HG1 ")
3.200 1.300 1.300 peak 3424 weight 0.10000E+01 volume 0.58000E+00 ppm1 9.006 ppm2 2.252
OR { 3424}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "89 " and name "HG2 ")
ASSI { 3423}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "90 " and name "HG21")
3.200 1.300 1.300 peak 3423 weight 0.10000E+01 volume 0.86400E+00 ppm1 9.004 ppm2 1.031
OR { 3423}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "90 " and name "HG22")
OR { 3423}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "90 " and name "HG23")
ASSI { 2835}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "41 " and name "HG22")
2.800 1.000 1.000 peak 2835 weight 0.10000E+01 volume 0.19310E+01 ppm1 8.756 ppm2 0.695
OR { 2835}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "41 " and name "HG23")
OR { 2835}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "41 " and name "HG21")
ASSI { 2843}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "42 " and name "HB1 ")
2.900 1.100 1.100 peak 2843 weight 0.10000E+01 volume 0.97500E+00 ppm1 8.757 ppm2 3.190
ASSI { 2913}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "47 " and name "HN ")
3.400 1.400 1.400 peak 2913 weight 0.10000E+01 volume 0.29200E+00 ppm1 8.390 ppm2 8.998
ASSI { 2909}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "46 " and name "HA ")
2.800 1.000 1.000 peak 2909 weight 0.10000E+01 volume 0.90200E+00 ppm1 8.389 ppm2 4.488
ASSI { 2915}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "47 " and name "HG21")
4.500 2.500 1.500 peak 2915 weight 0.10000E+01 volume 0.10000E+00 ppm1 8.388 ppm2 0.487
OR { 2915}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "47 " and name "HG22")
OR { 2915}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "47 " and name "HG23")
ASSI { 3267}
(segid " " and resid "74 " and name "HN ")
(segid " " and resid "74 " and name "HB1 ")
2.500 0.800 0.800 peak 3267 weight 0.10000E+01 volume 0.38680E+01 ppm1 8.091 ppm2 1.254
OR { 3267}
(segid " " and resid "74 " and name "HN ")
(segid " " and resid "74 " and name "HB2 ")
OR { 3267}
(segid " " and resid "74 " and name "HN ")
(segid " " and resid "74 " and name "HB3 ")
ASSI { 3271}
(segid " " and resid "74 " and name "HN ")
(segid " " and resid "74 " and name "HA ")
2.700 0.900 0.900 peak 3271 weight 0.10000E+01 volume 0.13290E+01 ppm1 8.091 ppm2 4.125
ASSI { 2494}
(segid " " and resid "14 " and name "HN ")
(segid " " and resid "14 " and name "HA ")
3.200 1.300 1.300 peak 2494 weight 0.10000E+01 volume 0.43000E+00 ppm1 10.343 ppm2 4.514
ASSI { 2700}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "31 " and name "HB2 ")
3.000 1.100 1.100 peak 2700 weight 0.10000E+01 volume 0.82000E+00 ppm1 9.144 ppm2 2.894
ASSI { 2706}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "32 " and name "HN ")
3.400 1.400 1.400 peak 2706 weight 0.10000E+01 volume 0.26000E+00 ppm1 9.140 ppm2 7.988
ASSI { 3516}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "98 " and name "HA ")
2.100 0.600 0.600 peak 3516 weight 0.10000E+01 volume 0.58550E+01 ppm1 8.514 ppm2 4.428
ASSI { 2366}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "48 " and name "HD2 ")
3.500 1.500 1.500 peak 2366 weight 0.10000E+01 volume 0.76300E+00 ppm1 9.178 ppm2 6.919
OR { 2366}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "48 " and name "HD1 ")
ASSI { 2368}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "48 " and name "HA ")
3.000 1.100 1.100 peak 2368 weight 0.10000E+01 volume 0.63200E+00 ppm1 9.180 ppm2 4.892
ASSI { 3181}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "47 " and name "HG13")
3.800 1.800 1.800 peak 3181 weight 0.10000E+01 volume 0.26000E+00 ppm1 8.783 ppm2 0.479
OR { 3181}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "47 " and name "HG21")
OR { 3181}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "47 " and name "HG11")
OR { 3181}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "47 " and name "HG12")
ASSI { 3289}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "77 " and name "HB1 ")
2.500 0.800 0.800 peak 3289 weight 0.10000E+01 volume 0.25090E+01 ppm1 8.155 ppm2 1.312
OR { 3289}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "77 " and name "HB2 ")
ASSI { 3287}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "76 " and name "HA ")
2.400 0.700 0.700 peak 3287 weight 0.10000E+01 volume 0.27900E+01 ppm1 8.154 ppm2 4.308
ASSI { 2377}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "49 " and name "HG21")
2.700 0.900 0.900 peak 2377 weight 0.10000E+01 volume 0.19740E+01 ppm1 8.971 ppm2 1.115
OR { 2377}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "49 " and name "HG22")
OR { 2377}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "49 " and name "HG23")
ASSI { 2379}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "23 " and name "HN ")
3.000 1.100 1.100 peak 2379 weight 0.10000E+01 volume 0.53300E+00 ppm1 8.970 ppm2 7.618
ASSI { 2656}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "28 " and name "HB2 ")
2.500 0.800 0.800 peak 2656 weight 0.10000E+01 volume 0.25280E+01 ppm1 9.750 ppm2 1.585
ASSI { 2658}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "27 " and name "HB2 ")
3.100 1.200 1.200 peak 2658 weight 0.10000E+01 volume 0.98700E+00 ppm1 9.749 ppm2 1.389
OR { 2658}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "27 " and name "HB3 ")
OR { 2658}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "27 " and name "HB1 ")
ASSI { 2825}
(segid " " and resid "56 " and name "HN ")
(segid " " and resid "56 " and name "HB1 ")
2.800 1.000 1.000 peak 2825 weight 0.10000E+01 volume 0.11580E+01 ppm1 9.141 ppm2 2.010
ASSI { 2720}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "31 " and name "HE1 ")
4.900 3.000 1.100 peak 2720 weight 0.10000E+01 volume 0.10400E+00 ppm1 7.983 ppm2 6.917
OR { 2720}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "31 " and name "HE2 ")
ASSI { 2824}
(segid " " and resid "56 " and name "HN ")
(segid " " and resid "56 " and name "HG1 ")
2.700 0.900 0.900 peak 2824 weight 0.10000E+01 volume 0.15350E+01 ppm1 9.144 ppm2 1.848
OR { 2824}
(segid " " and resid "56 " and name "HN ")
(segid " " and resid "56 " and name "HB2 ")
ASSI { 2942}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "49 " and name "HG12")
3.200 1.300 1.300 peak 2942 weight 0.10000E+01 volume 0.75200E+00 ppm1 9.846 ppm2 0.688
OR { 2942}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "49 " and name "HG13")
OR { 2942}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "49 " and name "HG11")
ASSI { 2943}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "63 " and name "HA2 ")
3.200 1.300 1.300 peak 2943 weight 0.10000E+01 volume 0.45800E+00 ppm1 9.852 ppm2 4.704
ASSI { 2945}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "50 " and name "HB1 ")
3.200 1.300 1.300 peak 2945 weight 0.10000E+01 volume 0.59300E+00 ppm1 9.846 ppm2 3.031
ASSI { 2639}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "26 " and name "HG22")
2.700 0.900 0.900 peak 2639 weight 0.10000E+01 volume 0.24300E+01 ppm1 8.810 ppm2 0.848
OR { 2639}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "26 " and name "HG21")
OR { 2639}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "26 " and name "HG23")
ASSI { 2831}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "31 " and name "HB1 ")
3.300 1.400 1.400 peak 2831 weight 0.10000E+01 volume 0.46900E+00 ppm1 9.119 ppm2 2.636
ASSI { 2822}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "41 " and name "HB ")
2.700 0.900 0.900 peak 2822 weight 0.10000E+01 volume 0.16810E+01 ppm1 9.118 ppm2 1.482
ASSI { 3380}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "86 " and name "HG1 ")
2.800 1.000 1.000 peak 3380 weight 0.10000E+01 volume 0.11590E+01 ppm1 9.362 ppm2 1.653
OR { 3380}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "86 " and name "HB2 ")
ASSI { 3616}
(segid " " and resid "108 " and name "HN ")
(segid " " and resid "108 " and name "HB1 ")
3.000 1.100 1.100 peak 3616 weight 0.10000E+01 volume 0.84600E+00 ppm1 8.474 ppm2 2.219
ASSI { 716}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "52 " and name "HD2 ")
3.300 1.400 1.400 peak 716 weight 0.10000E+01 volume 0.49800E+00 ppm1 9.728 ppm2 0.988
ASSI { 715}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "52 " and name "HB2 ")
2.900 1.100 1.100 peak 715 weight 0.10000E+01 volume 0.93700E+00 ppm1 9.735 ppm2 1.411
ASSI { 2730}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "32 " and name "HG1 ")
4.200 2.200 1.800 peak 2730 weight 0.10000E+01 volume 0.10500E+00 ppm1 7.863 ppm2 2.488
ASSI { 3435}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "91 " and name "HD12")
3.000 1.100 1.100 peak 3435 weight 0.10000E+01 volume 0.12020E+01 ppm1 9.062 ppm2 0.772
OR { 3435}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "91 " and name "HD21")
OR { 3435}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "91 " and name "HD23")
OR { 3435}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "91 " and name "HD13")
ASSI { 3537}
(segid " " and resid "86 " and name "HE ")
(segid " " and resid "86 " and name "HD1 ")
3.200 1.300 1.300 peak 3537 weight 0.10000E+01 volume 0.76100E+00 ppm1 7.887 ppm2 3.277
ASSI { 3539}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "99 " and name "HB2 ")
2.800 1.000 1.000 peak 3539 weight 0.10000E+01 volume 0.11340E+01 ppm1 7.861 ppm2 1.813
ASSI { 3131}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "52 " and name "HA ")
3.200 1.300 1.300 peak 3131 weight 0.10000E+01 volume 0.43900E+00 ppm1 9.275 ppm2 4.824
ASSI { 3129}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "49 " and name "HG12")
3.400 1.400 1.400 peak 3129 weight 0.10000E+01 volume 0.55000E+00 ppm1 9.273 ppm2 0.680
OR { 3129}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "49 " and name "HG11")
OR { 3129}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "49 " and name "HG13")
ASSI { 3051}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "57 " and name "HA1 ")
2.700 0.900 0.900 peak 3051 weight 0.10000E+01 volume 0.11050E+01 ppm1 7.739 ppm2 4.678
ASSI { 2592}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "21 " and name "HA ")
3.200 1.300 1.300 peak 2592 weight 0.10000E+01 volume 0.47100E+00 ppm1 7.624 ppm2 3.515
ASSI { 2588}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "49 " and name "HB ")
2.800 1.000 1.000 peak 2588 weight 0.10000E+01 volume 0.12590E+01 ppm1 7.617 ppm2 2.512
ASSI { 2742}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "38 " and name "HN ")
3.100 1.200 1.200 peak 2742 weight 0.10000E+01 volume 0.46400E+00 ppm1 7.408 ppm2 8.441
ASSI { 2741}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "34 " and name "HA ")
3.200 1.300 1.300 peak 2741 weight 0.10000E+01 volume 0.46200E+00 ppm1 7.407 ppm2 4.234
ASSI { 3300}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "39 " and name "HD12")
3.200 1.300 1.300 peak 3300 weight 0.10000E+01 volume 0.80400E+00 ppm1 8.799 ppm2 0.916
OR { 3300}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "39 " and name "HD11")
OR { 3300}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "39 " and name "HD13")
ASSI { 3301}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "78 " and name "HA1 ")
3.000 1.100 1.100 peak 3301 weight 0.10000E+01 volume 0.61800E+00 ppm1 8.801 ppm2 4.186
ASSI { 3302}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "78 " and name "HA2 ")
3.000 1.100 1.100 peak 3302 weight 0.10000E+01 volume 0.65300E+00 ppm1 8.797 ppm2 3.698
ASSI { 3444}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "94 " and name "HA2 ")
2.400 0.700 0.700 peak 3444 weight 0.10000E+01 volume 0.23750E+01 ppm1 8.497 ppm2 3.058
ASSI { 3445}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "22 " and name "HG22")
2.900 1.100 1.100 peak 3445 weight 0.10000E+01 volume 0.13130E+01 ppm1 8.496 ppm2 0.777
OR { 3445}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "22 " and name "HG23")
OR { 3445}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "22 " and name "HG21")
ASSI { 3449}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "95 " and name "HN ")
3.100 1.200 1.200 peak 3449 weight 0.10000E+01 volume 0.45300E+00 ppm1 8.497 ppm2 7.503
ASSI { 3666}
(segid " " and resid "89 " and name "HE22")
(segid " " and resid "89 " and name "HG1 ")
3.300 1.400 1.400 peak 3666 weight 0.10000E+01 volume 0.43600E+00 ppm1 6.747 ppm2 2.247
OR { 3666}
(segid " " and resid "89 " and name "HE22")
(segid " " and resid "89 " and name "HG2 ")
ASSI { 3139}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "62 " and name "HA2 ")
2.700 0.900 0.900 peak 3139 weight 0.10000E+01 volume 0.11370E+01 ppm1 9.416 ppm2 3.058
ASSI { 3033}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "55 " and name "HA2 ")
2.400 0.700 0.700 peak 3033 weight 0.10000E+01 volume 0.27290E+01 ppm1 9.140 ppm2 3.843
ASSI { 3191}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "66 " and name "HG2 ")
3.100 1.200 1.200 peak 3191 weight 0.10000E+01 volume 0.74800E+00 ppm1 8.475 ppm2 2.358
OR { 3191}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "66 " and name "HG1 ")
ASSI { 2264}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "1 " and name "HA ")
2.200 0.600 0.600 peak 2264 weight 0.10000E+01 volume 0.39130E+01 ppm1 8.707 ppm2 4.070
ASSI { 2966}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "50 " and name "HA ")
3.300 1.400 1.400 peak 2966 weight 0.10000E+01 volume 0.39000E+00 ppm1 8.579 ppm2 4.485
ASSI { 2958}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "50 " and name "HB2 ")
3.200 1.300 1.300 peak 2958 weight 0.10000E+01 volume 0.56100E+00 ppm1 8.577 ppm2 2.805
ASSI { 2358}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "6 " and name "HB2 ")
2.800 1.000 1.000 peak 2358 weight 0.10000E+01 volume 0.11350E+01 ppm1 6.569 ppm2 1.239
ASSI { 3161}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "50 " and name "HN ")
3.500 1.500 1.500 peak 3161 weight 0.10000E+01 volume 0.21400E+00 ppm1 9.076 ppm2 9.845
ASSI { 3335}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "83 " and name "HA ")
2.400 0.700 0.700 peak 3335 weight 0.10000E+01 volume 0.23870E+01 ppm1 7.668 ppm2 4.025
ASSI { 2538}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "98 " and name "HG22")
4.300 2.300 1.700 peak 2538 weight 0.10000E+01 volume 0.13100E+00 ppm1 7.837 ppm2 0.911
OR { 2538}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "98 " and name "HG23")
OR { 2538}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "98 " and name "HG21")
ASSI { 2534}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "15 " and name "HB2 ")
3.600 1.600 1.600 peak 2534 weight 0.10000E+01 volume 0.28900E+00 ppm1 7.836 ppm2 2.778
ASSI { 3357}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "83 " and name "HA ")
3.000 1.100 1.100 peak 3357 weight 0.10000E+01 volume 0.60100E+00 ppm1 7.260 ppm2 4.026
ASSI { 3343}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "85 " and name "HN ")
2.400 0.700 0.700 peak 3343 weight 0.10000E+01 volume 0.23200E+01 ppm1 7.262 ppm2 7.516
ASSI { 3363}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "83 " and name "HB2 ")
3.800 1.800 1.800 peak 3363 weight 0.10000E+01 volume 0.18900E+00 ppm1 7.261 ppm2 3.867
ASSI { 3028}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "12 " and name "HN ")
3.700 1.700 1.700 peak 3028 weight 0.10000E+01 volume 0.15500E+00 ppm1 7.422 ppm2 8.892
ASSI { 2783}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "37 " and name "HA ")
3.500 1.500 1.500 peak 2783 weight 0.10000E+01 volume 0.27900E+00 ppm1 8.437 ppm2 4.301
ASSI { 2687}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "43 " and name "HA ")
3.200 1.300 1.300 peak 2687 weight 0.10000E+01 volume 0.50200E+00 ppm1 8.300 ppm2 3.193
OR { 2687}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "43 " and name "HD1 ")
OR { 2687}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "43 " and name "HD2 ")
ASSI { 3562}
(segid " " and resid "7 " and name "HN ")
(segid " " and resid "6 " and name "HA ")
3.100 1.200 1.200 peak 3562 weight 0.10000E+01 volume 0.58300E+00 ppm1 3.985 ppm2 2.910
ASSI { 3412}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "25 " and name "HA ")
3.100 1.200 1.200 peak 3412 weight 0.10000E+01 volume 0.54600E+00 ppm1 7.656 ppm2 5.283
ASSI { 2446}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "11 " and name "HG2 ")
2.800 1.000 1.000 peak 2446 weight 0.10000E+01 volume 0.13470E+01 ppm1 9.368 ppm2 1.164
ASSI { 3403}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "88 " and name "HN ")
2.200 0.600 0.600 peak 3403 weight 0.10000E+01 volume 0.42470E+01 ppm1 7.657 ppm2 9.043
ASSI { 3408}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "88 " and name "HB2 ")
2.800 1.000 1.000 peak 3408 weight 0.10000E+01 volume 0.12980E+01 ppm1 7.657 ppm2 2.664
OR { 3408}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "88 " and name "HB1 ")
ASSI { 3413}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "23 " and name "HB1 ")
3.500 1.500 1.500 peak 3413 weight 0.10000E+01 volume 0.30200E+00 ppm1 7.655 ppm2 3.807
OR { 3413}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "23 " and name "HB2 ")
ASSI { 2807}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "39 " and name "HB1 ")
3.100 1.200 1.200 peak 2807 weight 0.10000E+01 volume 0.74600E+00 ppm1 7.821 ppm2 1.644
OR { 2807}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "39 " and name "HG ")
ASSI { 3549}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "101 " and name "HA ")
2.500 0.800 0.800 peak 3549 weight 0.10000E+01 volume 0.18860E+01 ppm1 8.490 ppm2 4.941
ASSI { 3586}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "103 " and name "HB2 ")
3.700 1.700 1.700 peak 3586 weight 0.10000E+01 volume 0.24500E+00 ppm1 7.654 ppm2 3.258
ASSI { 2520}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "98 " and name "HG22")
4.200 2.200 1.800 peak 2520 weight 0.10000E+01 volume 0.15900E+00 ppm1 8.996 ppm2 0.900
OR { 2520}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "98 " and name "HG23")
OR { 2520}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "98 " and name "HG21")
ASSI { 2505}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "15 " and name "HA ")
2.500 0.800 0.800 peak 2505 weight 0.10000E+01 volume 0.20550E+01 ppm1 8.998 ppm2 4.660
ASSI { 2519}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "18 " and name "HN ")
3.700 1.700 1.700 peak 2519 weight 0.10000E+01 volume 0.15400E+00 ppm1 8.997 ppm2 8.441
ASSI { 2489}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "22 " and name "HD12")
4.400 2.400 1.600 peak 2489 weight 0.10000E+01 volume 0.11700E+00 ppm1 9.172 ppm2 0.509
OR { 2489}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "22 " and name "HD13")
OR { 2489}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "22 " and name "HG12")
OR { 2489}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "22 " and name "HD11")
ASSI { 3568}
(segid " " and resid "103 " and name "HN ")
(segid " " and resid "103 " and name "HD1 ")
3.600 1.600 1.600 peak 3568 weight 0.10000E+01 volume 0.67100E+00 ppm1 7.446 ppm2 7.101
ASSI { 3576}
(segid " " and resid "103 " and name "HN ")
(segid " " and resid "101 " and name "HB2 ")
3.900 1.900 1.900 peak 3576 weight 0.10000E+01 volume 0.17300E+00 ppm1 7.447 ppm2 2.621
ASSI { 3564}
(segid " " and resid "103 " and name "HN ")
(segid " " and resid "104 " and name "HN ")
2.600 0.800 0.800 peak 3564 weight 0.10000E+01 volume 0.14020E+01 ppm1 7.445 ppm2 7.653
ASSI { 2620}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "25 " and name "HA ")
2.300 0.700 0.700 peak 2620 weight 0.10000E+01 volume 0.29140E+01 ppm1 8.403 ppm2 5.284
ASSI { 2404}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "6 " and name "HA ")
2.900 1.100 1.100 peak 2404 weight 0.10000E+01 volume 0.85800E+00 ppm1 8.275 ppm2 2.904
ASSI { 2437}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "9 " and name "HB1 ")
3.100 1.200 1.200 peak 2437 weight 0.10000E+01 volume 0.66000E+00 ppm1 7.818 ppm2 2.892
ASSI { 2432}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "9 " and name "HB2 ")
3.000 1.100 1.100 peak 2432 weight 0.10000E+01 volume 0.84400E+00 ppm1 7.817 ppm2 2.548
ASSI { 3210}
(segid " " and resid "69 " and name "HN ")
(segid " " and resid "69 " and name "HB2 ")
2.400 0.700 0.700 peak 3210 weight 0.10000E+01 volume 0.30430E+01 ppm1 7.923 ppm2 2.837
OR { 3210}
(segid " " and resid "69 " and name "HN ")
(segid " " and resid "69 " and name "HB1 ")
ASSI { 2542}
(segid " " and resid "18 " and name "HN ")
(segid " " and resid "13 " and name "HB1 ")
3.700 1.700 1.700 peak 2542 weight 0.10000E+01 volume 0.22000E+00 ppm1 8.435 ppm2 4.096
ASSI { 2539}
(segid " " and resid "18 " and name "HN ")
(segid " " and resid "18 " and name "HA ")
2.600 0.800 0.800 peak 2539 weight 0.10000E+01 volume 0.13960E+01 ppm1 8.434 ppm2 4.725
ASSI { 2889}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "45 " and name "HB1 ")
2.500 0.800 0.800 peak 2889 weight 0.10000E+01 volume 0.22920E+01 ppm1 8.081 ppm2 2.124
ASSI { 2982}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "51 " and name "HB1 ")
3.100 1.200 1.200 peak 2982 weight 0.10000E+01 volume 0.64800E+00 ppm1 8.611 ppm2 3.968
ASSI { 2465}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HA ")
3.100 1.200 1.200 peak 2465 weight 0.10000E+01 volume 0.53600E+00 ppm1 8.892 ppm2 5.258
ASSI { 2978}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "12 " and name "HN ")
2.800 1.000 1.000 peak 2978 weight 0.10000E+01 volume 0.80900E+00 ppm1 8.611 ppm2 8.893
ASSI { 2467}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "53 " and name "HA ")
3.200 1.300 1.300 peak 2467 weight 0.10000E+01 volume 0.40700E+00 ppm1 8.885 ppm2 4.356
ASSI { 2463}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "11 " and name "HA ")
2.600 0.800 0.800 peak 2463 weight 0.10000E+01 volume 0.15630E+01 ppm1 8.888 ppm2 4.895
ASSI { 2472}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "51 " and name "HB2 ")
4.100 2.100 1.900 peak 2472 weight 0.10000E+01 volume 0.13600E+00 ppm1 8.880 ppm2 3.625
ASSI { 2561}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "19 " and name "HB2 ")
3.600 1.600 1.600 peak 2561 weight 0.10000E+01 volume 0.29900E+00 ppm1 8.169 ppm2 3.783
ASSI { 3468}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "95 " and name "HG2 ")
2.600 0.800 0.800 peak 3468 weight 0.10000E+01 volume 0.19140E+01 ppm1 7.504 ppm2 1.254
OR { 3468}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "95 " and name "HG1 ")
ASSI { 2565}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "50 " and name "HA ")
2.800 1.000 1.000 peak 2565 weight 0.10000E+01 volume 0.10600E+01 ppm1 9.128 ppm2 4.487
ASSI { 3076}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "59 " and name "HG ")
2.600 0.800 0.800 peak 3076 weight 0.10000E+01 volume 0.20910E+01 ppm1 7.947 ppm2 1.286
ASSI { 3073}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "59 " and name "HB1 ")
2.300 0.700 0.700 peak 3073 weight 0.10000E+01 volume 0.35920E+01 ppm1 7.950 ppm2 0.912
OR { 3073}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "59 " and name "HB2 ")
ASSI { 3075}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "60 " and name "HN ")
2.400 0.700 0.700 peak 3075 weight 0.10000E+01 volume 0.19950E+01 ppm1 7.948 ppm2 8.663
ASSI { 3167}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "65 " and name "HB ")
2.800 1.000 1.000 peak 3167 weight 0.10000E+01 volume 0.11650E+01 ppm1 8.968 ppm2 2.256
ASSI { 3106}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "39 " and name "HD22")
3.400 1.400 1.400 peak 3106 weight 0.10000E+01 volume 0.59500E+00 ppm1 8.970 ppm2 0.913
OR { 3106}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "39 " and name "HD12")
OR { 3106}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "39 " and name "HD23")
OR { 3106}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "39 " and name "HD11")
ASSI { 3169}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "64 " and name "HB1 ")
2.900 1.100 1.100 peak 3169 weight 0.10000E+01 volume 0.10840E+01 ppm1 8.969 ppm2 3.803
OR { 3169}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "64 " and name "HB2 ")
ASSI { 3238}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "69 " and name "HN ")
2.900 1.100 1.100 peak 3238 weight 0.10000E+01 volume 0.77300E+00 ppm1 8.146 ppm2 7.938
ASSI { 3237}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "70 " and name "HB1 ")
2.900 1.100 1.100 peak 3237 weight 0.10000E+01 volume 0.99900E+00 ppm1 8.147 ppm2 3.017
ASSI { 3120}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "61 " and name "HD1 ")
4.200 2.200 1.800 peak 3120 weight 0.10000E+01 volume 0.24800E+00 ppm1 8.770 ppm2 7.542
ASSI { 3233}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "90 " and name "HG21")
2.900 1.100 1.100 peak 3233 weight 0.10000E+01 volume 0.13420E+01 ppm1 8.173 ppm2 1.028
OR { 3233}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "90 " and name "HG22")
OR { 3233}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "90 " and name "HG23")
ASSI { 3241}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "23 " and name "HA ")
3.300 1.400 1.400 peak 3241 weight 0.10000E+01 volume 0.37500E+00 ppm1 8.171 ppm2 4.931
ASSI { 3005}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "53 " and name "HB1 ")
3.000 1.100 1.100 peak 3005 weight 0.10000E+01 volume 0.88600E+00 ppm1 8.288 ppm2 2.785
ASSI { 3007}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "53 " and name "HA ")
3.000 1.100 1.100 peak 3007 weight 0.10000E+01 volume 0.59300E+00 ppm1 8.292 ppm2 4.349
ASSI { 3001}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "52 " and name "HA ")
2.600 0.800 0.800 peak 3001 weight 0.10000E+01 volume 0.15760E+01 ppm1 8.289 ppm2 4.818
ASSI { 3003}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "61 " and name "HA ")
2.900 1.100 1.100 peak 3003 weight 0.10000E+01 volume 0.84000E+00 ppm1 8.289 ppm2 5.311
ASSI { 3006}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "53 " and name "HD13")
3.200 1.300 1.300 peak 3006 weight 0.10000E+01 volume 0.85500E+00 ppm1 8.290 ppm2 0.896
OR { 3006}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "53 " and name "HD11")
OR { 3006}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "53 " and name "HD12")
ASSI { 3264}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "72 " and name "HB1 ")
3.300 1.400 1.400 peak 3264 weight 0.10000E+01 volume 0.47800E+00 ppm1 8.110 ppm2 2.775
ASSI { 2762}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "37 " and name "HB2 ")
3.100 1.200 1.200 peak 2762 weight 0.10000E+01 volume 0.71200E+00 ppm1 9.327 ppm2 1.490
ASSI { 2858}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "30 " and name "HA ")
2.800 1.000 1.000 peak 2858 weight 0.10000E+01 volume 0.94600E+00 ppm1 8.993 ppm2 4.832
ASSI { 3322}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "83 " and name "HN ")
2.700 0.900 0.900 peak 3322 weight 0.10000E+01 volume 0.11210E+01 ppm1 8.659 ppm2 7.672
ASSI { 3493}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "94 " and name "HA2 ")
3.700 1.700 1.700 peak 3493 weight 0.10000E+01 volume 0.17500E+00 ppm1 8.545 ppm2 3.065
ASSI { 2912}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "45 " and name "HN ")
3.300 1.400 1.400 peak 2912 weight 0.10000E+01 volume 0.30700E+00 ppm1 8.382 ppm2 8.081
ASSI { 2905}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "46 " and name "HG22")
2.600 0.800 0.800 peak 2905 weight 0.10000E+01 volume 0.25510E+01 ppm1 8.387 ppm2 0.991
OR { 2905}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "46 " and name "HG23")
OR { 2905}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "46 " and name "HG21")
ASSI { 3272}
(segid " " and resid "74 " and name "HN ")
(segid " " and resid "73 " and name "HB1 ")
2.900 1.100 1.100 peak 3272 weight 0.10000E+01 volume 0.10950E+01 ppm1 8.093 ppm2 1.558
OR { 3272}
(segid " " and resid "74 " and name "HN ")
(segid " " and resid "73 " and name "HB2 ")
ASSI { 2475}
(segid " " and resid "14 " and name "HN ")
(segid " " and resid "14 " and name "HB3 ")
2.900 1.100 1.100 peak 2475 weight 0.10000E+01 volume 0.13190E+01 ppm1 10.338 ppm2 1.248
OR { 2475}
(segid " " and resid "14 " and name "HN ")
(segid " " and resid "14 " and name "HB1 ")
OR { 2475}
(segid " " and resid "14 " and name "HN ")
(segid " " and resid "14 " and name "HB2 ")
ASSI { 2491}
(segid " " and resid "14 " and name "HN ")
(segid " " and resid "13 " and name "HB1 ")
3.200 1.300 1.300 peak 2491 weight 0.10000E+01 volume 0.54600E+00 ppm1 10.343 ppm2 4.095
ASSI { 2696}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "30 " and name "HA ")
2.300 0.700 0.700 peak 2696 weight 0.10000E+01 volume 0.28430E+01 ppm1 9.145 ppm2 4.833
ASSI { 2699}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "31 " and name "HA ")
2.900 1.100 1.100 peak 2699 weight 0.10000E+01 volume 0.81100E+00 ppm1 9.144 ppm2 4.606
ASSI { 3604}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "106 " and name "HD2 ")
3.900 1.900 1.900 peak 3604 weight 0.10000E+01 volume 0.37700E+00 ppm1 8.233 ppm2 6.788
ASSI { 2365}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "48 " and name "HB2 ")
2.900 1.100 1.100 peak 2365 weight 0.10000E+01 volume 0.10190E+01 ppm1 9.180 ppm2 3.175
ASSI { 2367}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "48 " and name "HB1 ")
3.000 1.100 1.100 peak 2367 weight 0.10000E+01 volume 0.78500E+00 ppm1 9.178 ppm2 2.473
ASSI { 2364}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "47 " and name "HG11")
2.800 1.000 1.000 peak 2364 weight 0.10000E+01 volume 0.17560E+01 ppm1 9.180 ppm2 0.479
OR { 2364}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "47 " and name "HG13")
OR { 2364}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "47 " and name "HG12")
ASSI { 3297}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "77 " and name "HD21")
4.400 2.400 1.600 peak 3297 weight 0.10000E+01 volume 0.12200E+00 ppm1 8.151 ppm2 0.302
OR { 3297}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "77 " and name "HD22")
OR { 3297}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "77 " and name "HD23")
ASSI { 2664}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "86 " and name "HN ")
3.600 1.600 1.600 peak 2664 weight 0.10000E+01 volume 0.20400E+00 ppm1 9.758 ppm2 8.602
ASSI { 2654}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "27 " and name "HA ")
2.400 0.700 0.700 peak 2654 weight 0.10000E+01 volume 0.22040E+01 ppm1 9.750 ppm2 4.553
ASSI { 2712}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "32 " and name "HG2 ")
3.000 1.100 1.100 peak 2712 weight 0.10000E+01 volume 0.84400E+00 ppm1 7.982 ppm2 2.339
ASSI { 2711}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "31 " and name "HD1 ")
3.500 1.500 1.500 peak 2711 weight 0.10000E+01 volume 0.75500E+00 ppm1 7.984 ppm2 7.391
OR { 2711}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "31 " and name "HD2 ")
ASSI { 2717}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "32 " and name "HG1 ")
3.300 1.400 1.400 peak 2717 weight 0.10000E+01 volume 0.44300E+00 ppm1 7.983 ppm2 2.484
ASSI { 3626}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "52 " and name "HG1 ")
4.000 2.000 2.000 peak 3626 weight 0.10000E+01 volume 0.14800E+00 ppm1 9.736 ppm2 0.382
ASSI { 726}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "61 " and name "HA ")
3.600 1.600 1.600 peak 726 weight 0.10000E+01 volume 0.20900E+00 ppm1 9.733 ppm2 5.310
ASSI { 714}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "52 " and name "HB1 ")
3.000 1.100 1.100 peak 714 weight 0.10000E+01 volume 0.80500E+00 ppm1 9.736 ppm2 1.646
ASSI { 696}
(segid " " and resid "103 " and name "HE1 ")
(segid " " and resid "103 " and name "HH2 ")
4.000 2.000 2.000 peak 696 weight 0.10000E+01 volume 0.32800E+00 ppm1 10.013 ppm2 6.976
OR { 696}
(segid " " and resid "103 " and name "HE1 ")
(segid " " and resid "103 " and name "HE3 ")
ASSI { 2725}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "32 " and name "HB1 ")
3.000 1.100 1.100 peak 2725 weight 0.10000E+01 volume 0.86100E+00 ppm1 7.856 ppm2 1.714
OR { 2725}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "32 " and name "HB2 ")
ASSI { 693}
(segid " " and resid "103 " and name "HE1 ")
(segid " " and resid "102 " and name "HD1 ")
3.800 1.800 1.800 peak 693 weight 0.10000E+01 volume 0.20100E+00 ppm1 10.021 ppm2 1.249
OR { 693}
(segid " " and resid "103 " and name "HE1 ")
(segid " " and resid "102 " and name "HD2 ")
ASSI { 698}
(segid " " and resid "103 " and name "HE1 ")
(segid " " and resid "103 " and name "HB2 ")
4.400 2.400 1.600 peak 698 weight 0.10000E+01 volume 0.78000E-01 ppm1 10.024 ppm2 3.282
ASSI { 3440}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "24 " and name "HN ")
3.300 1.400 1.400 peak 3440 weight 0.10000E+01 volume 0.32000E+00 ppm1 9.061 ppm2 8.552
ASSI { 2877}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "43 " and name "HG2 ")
3.100 1.200 1.200 peak 2877 weight 0.10000E+01 volume 0.64600E+00 ppm1 8.808 ppm2 1.294
ASSI { 3696}
(segid " " and resid "66 " and name "HE22")
(segid " " and resid "66 " and name "HG1 ")
3.000 1.100 1.100 peak 3696 weight 0.10000E+01 volume 0.81200E+00 ppm1 6.876 ppm2 2.357
OR { 3696}
(segid " " and resid "66 " and name "HE22")
(segid " " and resid "66 " and name "HG2 ")
ASSI { 3532}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "10 " and name "HA ")
2.600 0.800 0.800 peak 3532 weight 0.10000E+01 volume 0.14340E+01 ppm1 7.863 ppm2 5.205
ASSI { 3530}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "100 " and name "HG22")
2.700 0.900 0.900 peak 3530 weight 0.10000E+01 volume 0.19960E+01 ppm1 7.860 ppm2 0.944
OR { 3530}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "100 " and name "HG23")
OR { 3530}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "100 " and name "HG21")
ASSI { 3110}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "61 " and name "HA ")
2.600 0.800 0.800 peak 3110 weight 0.10000E+01 volume 0.13770E+01 ppm1 9.276 ppm2 5.310
ASSI { 2587}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "22 " and name "HB ")
2.600 0.800 0.800 peak 2587 weight 0.10000E+01 volume 0.18340E+01 ppm1 7.619 ppm2 1.273
ASSI { 2597}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "23 " and name "HB2 ")
3.300 1.400 1.400 peak 2597 weight 0.10000E+01 volume 0.45100E+00 ppm1 7.623 ppm2 3.822
OR { 2597}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "23 " and name "HB1 ")
ASSI { 2737}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "35 " and name "HA ")
2.900 1.100 1.100 peak 2737 weight 0.10000E+01 volume 0.85800E+00 ppm1 7.409 ppm2 4.570
ASSI { 3255}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "71 " and name "HA1 ")
2.600 0.800 0.800 peak 3255 weight 0.10000E+01 volume 0.16860E+01 ppm1 7.763 ppm2 3.893
ASSI { 3451}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "22 " and name "HG12")
3.400 1.400 1.400 peak 3451 weight 0.10000E+01 volume 0.48600E+00 ppm1 8.495 ppm2 0.521
OR { 3451}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "22 " and name "HD13")
OR { 3451}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "22 " and name "HD12")
ASSI { 3259}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "70 " and name "HD2 ")
4.300 2.300 1.700 peak 3259 weight 0.10000E+01 volume 0.20400E+00 ppm1 7.763 ppm2 7.021
OR { 3259}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "70 " and name "HD1 ")
ASSI { 3367}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "85 " and name "HA ")
2.900 1.100 1.100 peak 3367 weight 0.10000E+01 volume 0.77300E+00 ppm1 7.514 ppm2 5.339
ASSI { 3140}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "63 " and name "HA1 ")
3.000 1.100 1.100 peak 3140 weight 0.10000E+01 volume 0.68200E+00 ppm1 9.412 ppm2 5.113
ASSI { 3036}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "55 " and name "HA1 ")
2.500 0.800 0.800 peak 3036 weight 0.10000E+01 volume 0.20270E+01 ppm1 9.141 ppm2 4.000
ASSI { 702}
(segid " " and resid "66 " and name "HE21")
(segid " " and resid "66 " and name "HG1 ")
2.700 0.900 0.900 peak 702 weight 0.10000E+01 volume 0.14650E+01 ppm1 7.407 ppm2 2.358
OR { 702}
(segid " " and resid "66 " and name "HE21")
(segid " " and resid "66 " and name "HG2 ")
ASSI { 179}
(segid " " and resid "66 " and name "HE21")
(segid " " and resid "66 " and name "HE22")
1.800 0.400 0.400 peak 179 weight 0.10000E+01 volume 0.14156E+02 ppm1 7.408 ppm2 6.873
ASSI { 3189}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "67 " and name "HA1 ")
2.600 0.800 0.800 peak 3189 weight 0.10000E+01 volume 0.16740E+01 ppm1 8.474 ppm2 3.890
OR { 3189}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "67 " and name "HA2 ")
ASSI { 3188}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "67 " and name "HA2 ")
2.600 0.800 0.800 peak 3188 weight 0.10000E+01 volume 0.16800E+01 ppm1 8.474 ppm2 3.784
ASSI { 3193}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "66 " and name "HN ")
3.400 1.400 1.400 peak 3193 weight 0.10000E+01 volume 0.28600E+00 ppm1 8.475 ppm2 8.785
ASSI { 2348}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "107 " and name "HN ")
2.900 1.100 1.100 peak 2348 weight 0.10000E+01 volume 0.75900E+00 ppm1 8.707 ppm2 8.234
ASSI { 3638}
(segid " " and resid "108 " and name "HE21")
(segid " " and resid "108 " and name "HE22")
1.700 0.400 0.500 peak 3638 weight 0.10000E+01 volume 0.15962E+02 ppm1 7.664 ppm2 6.778
ASSI { 2420}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "7 " and name "HD13")
4.300 2.300 1.700 peak 2420 weight 0.10000E+01 volume 0.14300E+00 ppm1 6.571 ppm2 0.544
OR { 2420}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "7 " and name "HD11")
OR { 2420}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "7 " and name "HD12")
ASSI { 2357}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "8 " and name "HA ")
2.800 1.000 1.000 peak 2357 weight 0.10000E+01 volume 0.10810E+01 ppm1 6.570 ppm2 4.285
ASSI { 2415}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "7 " and name "HA ")
3.200 1.300 1.300 peak 2415 weight 0.10000E+01 volume 0.44700E+00 ppm1 6.573 ppm2 3.852
ASSI { 2546}
(segid " " and resid "19 " and name "HN ")
(segid " " and resid "18 " and name "HA ")
2.900 1.100 1.100 peak 2546 weight 0.10000E+01 volume 0.80700E+00 ppm1 9.823 ppm2 4.729
ASSI { 2549}
(segid " " and resid "19 " and name "HN ")
(segid " " and resid "19 " and name "HB1 ")
3.200 1.300 1.300 peak 2549 weight 0.10000E+01 volume 0.59000E+00 ppm1 9.819 ppm2 3.525
ASSI { 2545}
(segid " " and resid "19 " and name "HN ")
(segid " " and resid "18 " and name "HN ")
2.900 1.100 1.100 peak 2545 weight 0.10000E+01 volume 0.78000E+00 ppm1 9.819 ppm2 8.437
ASSI { 2550}
(segid " " and resid "19 " and name "HN ")
(segid " " and resid "19 " and name "HB2 ")
3.400 1.400 1.400 peak 2550 weight 0.10000E+01 volume 0.41800E+00 ppm1 9.823 ppm2 3.788
ASSI { 2668}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "29 " and name "HG2 ")
2.600 0.800 0.800 peak 2668 weight 0.10000E+01 volume 0.17910E+01 ppm1 7.416 ppm2 2.243
OR { 2668}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "29 " and name "HG1 ")
OR { 2668}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "29 " and name "HB1 ")
ASSI { 3336}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "83 " and name "HB2 ")
2.700 0.900 0.900 peak 3336 weight 0.10000E+01 volume 0.16710E+01 ppm1 7.667 ppm2 3.879
ASSI { 2524}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "17 " and name "HB2 ")
2.600 0.800 0.800 peak 2524 weight 0.10000E+01 volume 0.20910E+01 ppm1 7.836 ppm2 1.835
ASSI { 2525}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "17 " and name "HA ")
2.600 0.800 0.800 peak 2525 weight 0.10000E+01 volume 0.16530E+01 ppm1 7.831 ppm2 4.379
ASSI { 3354}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "84 " and name "HG12")
2.900 1.100 1.100 peak 3354 weight 0.10000E+01 volume 0.10240E+01 ppm1 7.261 ppm2 1.199
ASSI { 3351}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "83 " and name "HN ")
2.600 0.800 0.800 peak 3351 weight 0.10000E+01 volume 0.12680E+01 ppm1 7.261 ppm2 7.675
ASSI { 2753}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "36 " and name "HB1 ")
2.900 1.100 1.100 peak 2753 weight 0.10000E+01 volume 0.93800E+00 ppm1 8.729 ppm2 3.630
ASSI { 2749}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "35 " and name "HB1 ")
2.400 0.700 0.700 peak 2749 weight 0.10000E+01 volume 0.30300E+01 ppm1 8.729 ppm2 3.049
OR { 2749}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "35 " and name "HB2 ")
ASSI { 6051}
(segid " " and resid "105 " and name "HN ")
(segid " " and resid "105 " and name "HA ")
3.800 1.800 1.800 peak 6051 weight 0.10000E+01 volume 0.15500E+00 ppm1 7.514 ppm2 4.918
ASSI { 3096}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "60 " and name "HA ")
3.000 1.100 1.100 peak 3096 weight 0.10000E+01 volume 0.70600E+00 ppm1 8.661 ppm2 5.155
ASSI { 3090}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "60 " and name "HB1 ")
2.800 1.000 1.000 peak 3090 weight 0.10000E+01 volume 0.11250E+01 ppm1 8.664 ppm2 3.097
ASSI { 3093}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "59 " and name "HA ")
2.900 1.100 1.100 peak 3093 weight 0.10000E+01 volume 0.84400E+00 ppm1 8.665 ppm2 3.968
ASSI { 2580}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "90 " and name "HA ")
3.000 1.100 1.100 peak 2580 weight 0.10000E+01 volume 0.70800E+00 ppm1 8.560 ppm2 4.035
ASSI { 2684}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "29 " and name "HB2 ")
2.700 0.900 0.900 peak 2684 weight 0.10000E+01 volume 0.14920E+01 ppm1 8.300 ppm2 1.877
OR { 2684}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "29 " and name "HG1 ")
ASSI { 1420}
(segid " " and resid "7 " and name "HN ")
(segid " " and resid "7 " and name "HA ")
3.200 1.300 1.300 peak 1420 weight 0.10000E+01 volume 0.41500E+00 ppm1 3.981 ppm2 3.856
ASSI { 2680}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "29 " and name "HA ")
2.200 0.600 0.600 peak 2680 weight 0.10000E+01 volume 0.38490E+01 ppm1 8.301 ppm2 4.542
ASSI { 2690}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "43 " and name "HN ")
3.200 1.300 1.300 peak 2690 weight 0.10000E+01 volume 0.37700E+00 ppm1 8.300 ppm2 8.994
ASSI { 1421}
(segid " " and resid "7 " and name "HN ")
(segid " " and resid "7 " and name "HD13")
4.100 2.100 1.900 peak 1421 weight 0.10000E+01 volume 0.18500E+00 ppm1 3.978 ppm2 0.528
OR { 1421}
(segid " " and resid "7 " and name "HN ")
(segid " " and resid "7 " and name "HD12")
OR { 1421}
(segid " " and resid "7 " and name "HN ")
(segid " " and resid "7 " and name "HD11")
ASSI { 2451}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "11 " and name "HA ")
3.300 1.400 1.400 peak 2451 weight 0.10000E+01 volume 0.35400E+00 ppm1 9.367 ppm2 4.888
ASSI { 2452}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "12 " and name "HN ")
3.800 1.800 1.800 peak 2452 weight 0.10000E+01 volume 0.13600E+00 ppm1 9.367 ppm2 8.891
ASSI { 2806}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "39 " and name "HA ")
2.300 0.700 0.700 peak 2806 weight 0.10000E+01 volume 0.30300E+01 ppm1 7.817 ppm2 4.642
ASSI { 2810}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "39 " and name "HD21")
3.200 1.300 1.300 peak 2810 weight 0.10000E+01 volume 0.75500E+00 ppm1 7.816 ppm2 0.909
OR { 2810}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "39 " and name "HD22")
ASSI { 2805}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "40 " and name "HB ")
2.400 0.700 0.700 peak 2805 weight 0.10000E+01 volume 0.29250E+01 ppm1 7.818 ppm2 4.051
ASSI { 2809}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "40 " and name "HA ")
3.000 1.100 1.100 peak 2809 weight 0.10000E+01 volume 0.60700E+00 ppm1 7.816 ppm2 4.911
ASSI { 3553}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "102 " and name "HA ")
2.700 0.900 0.900 peak 3553 weight 0.10000E+01 volume 0.12040E+01 ppm1 8.493 ppm2 4.001
ASSI { 2511}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "96 " and name "HG11")
2.900 1.100 1.100 peak 2511 weight 0.10000E+01 volume 0.15420E+01 ppm1 8.998 ppm2 0.702
OR { 2511}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "96 " and name "HG13")
OR { 2511}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "96 " and name "HG12")
OR { 2511}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "96 " and name "HG21")
ASSI { 2497}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "16 " and name "HB2 ")
2.400 0.700 0.700 peak 2497 weight 0.10000E+01 volume 0.29130E+01 ppm1 8.998 ppm2 2.146
OR { 2497}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "16 " and name "HB1 ")
ASSI { 2482}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "13 " and name "HB2 ")
3.000 1.100 1.100 peak 2482 weight 0.10000E+01 volume 0.79500E+00 ppm1 9.171 ppm2 3.365
ASSI { 2487}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "12 " and name "HN ")
3.600 1.600 1.600 peak 2487 weight 0.10000E+01 volume 0.18900E+00 ppm1 9.170 ppm2 8.875
ASSI { 3572}
(segid " " and resid "103 " and name "HN ")
(segid " " and resid "102 " and name "HG2 ")
3.500 1.500 1.500 peak 3572 weight 0.10000E+01 volume 0.32800E+00 ppm1 7.444 ppm2 0.348
ASSI { 3574}
(segid " " and resid "103 " and name "HN ")
(segid " " and resid "102 " and name "HB2 ")
3.700 1.700 1.700 peak 3574 weight 0.10000E+01 volume 0.23400E+00 ppm1 7.447 ppm2 1.354
ASSI { 3570}
(segid " " and resid "103 " and name "HN ")
(segid " " and resid "103 " and name "HB2 ")
3.000 1.100 1.100 peak 3570 weight 0.10000E+01 volume 0.89500E+00 ppm1 7.446 ppm2 3.275
ASSI { 2624}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "86 " and name "HN ")
2.600 0.800 0.800 peak 2624 weight 0.10000E+01 volume 0.15220E+01 ppm1 8.405 ppm2 8.593
ASSI { 2406}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "5 " and name "HB1 ")
3.100 1.200 1.200 peak 2406 weight 0.10000E+01 volume 0.72100E+00 ppm1 8.277 ppm2 2.220
ASSI { 2405}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "6 " and name "HB2 ")
2.900 1.100 1.100 peak 2405 weight 0.10000E+01 volume 0.10480E+01 ppm1 8.274 ppm2 1.237
ASSI { 2401}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "5 " and name "HA ")
2.200 0.600 0.600 peak 2401 weight 0.10000E+01 volume 0.37870E+01 ppm1 8.275 ppm2 4.225
ASSI { 2548}
(segid " " and resid "18 " and name "HN ")
(segid " " and resid "18 " and name "HB1 ")
4.400 2.400 1.600 peak 2548 weight 0.10000E+01 volume 0.82000E-01 ppm1 8.442 ppm2 3.675
ASSI { 2979}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "51 " and name "HB2 ")
2.900 1.100 1.100 peak 2979 weight 0.10000E+01 volume 0.96800E+00 ppm1 8.614 ppm2 3.618
ASSI { 2989}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "52 " and name "HG1 ")
3.500 1.500 1.500 peak 2989 weight 0.10000E+01 volume 0.32300E+00 ppm1 8.615 ppm2 0.377
ASSI { 2552}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "19 " and name "HN ")
2.300 0.700 0.700 peak 2552 weight 0.10000E+01 volume 0.28580E+01 ppm1 8.166 ppm2 9.821
ASSI { 2554}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "20 " and name "HA ")
2.900 1.100 1.100 peak 2554 weight 0.10000E+01 volume 0.87000E+00 ppm1 8.168 ppm2 4.988
ASSI { 3474}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "22 " and name "HG12")
4.000 2.000 2.000 peak 3474 weight 0.10000E+01 volume 0.19600E+00 ppm1 7.504 ppm2 0.522
OR { 3474}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "22 " and name "HD13")
OR { 3474}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "22 " and name "HD12")
OR { 3474}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "22 " and name "HD11")
ASSI { 2568}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "22 " and name "HG12")
3.000 1.100 1.100 peak 2568 weight 0.10000E+01 volume 0.80100E+00 ppm1 9.128 ppm2 0.522
OR { 2568}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "22 " and name "HD12")
ASSI { 3466}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "94 " and name "HA1 ")
2.400 0.700 0.700 peak 3466 weight 0.10000E+01 volume 0.21990E+01 ppm1 7.504 ppm2 3.790
ASSI { 3470}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "94 " and name "HA2 ")
2.600 0.800 0.800 peak 3470 weight 0.10000E+01 volume 0.13840E+01 ppm1 7.504 ppm2 3.059
ASSI { 3082}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "59 " and name "HD21")
3.100 1.200 1.200 peak 3082 weight 0.10000E+01 volume 0.10500E+01 ppm1 7.948 ppm2 0.679
OR { 3082}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "59 " and name "HD13")
OR { 3082}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "59 " and name "HD11")
OR { 3082}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "59 " and name "HD23")
ASSI { 3077}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "59 " and name "HA ")
2.500 0.800 0.800 peak 3077 weight 0.10000E+01 volume 0.17650E+01 ppm1 7.949 ppm2 3.969
ASSI { 3229}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "69 " and name "HA ")
2.400 2.400 2.600 peak 3229 weight 0.10000E+01 volume 0.26230E+01 ppm1 8.147 ppm2 4.485
ASSI { 3240}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "70 " and name "HD1 ")
3.700 1.700 1.700 peak 3240 weight 0.10000E+01 volume 0.55000E+00 ppm1 8.150 ppm2 7.021
OR { 3240}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "70 " and name "HD2 ")
ASSI { 3239}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "71 " and name "HN ")
2.900 1.100 1.100 peak 3239 weight 0.10000E+01 volume 0.75400E+00 ppm1 8.147 ppm2 7.762
ASSI { 3116}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "61 " and name "HB1 ")
3.400 1.400 1.400 peak 3116 weight 0.10000E+01 volume 0.40400E+00 ppm1 8.771 ppm2 3.251
ASSI { 3125}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "62 " and name "HN ")
3.700 1.700 1.700 peak 3125 weight 0.10000E+01 volume 0.16100E+00 ppm1 8.774 ppm2 9.283
ASSI { 3223}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "91 " and name "HN ")
2.300 0.700 0.700 peak 3223 weight 0.10000E+01 volume 0.29110E+01 ppm1 8.173 ppm2 9.060
ASSI { 3234}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "90 " and name "HA ")
2.800 1.000 1.000 peak 3234 weight 0.10000E+01 volume 0.10290E+01 ppm1 8.171 ppm2 4.023
OR { 3234}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "90 " and name "HB ")
ASSI { 3004}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "61 " and name "HD1 ")
3.300 1.400 1.400 peak 3004 weight 0.10000E+01 volume 0.10620E+01 ppm1 8.289 ppm2 7.552
ASSI { 3528}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "100 " and name "HA ")
2.400 0.700 0.700 peak 3528 weight 0.10000E+01 volume 0.22550E+01 ppm1 9.120 ppm2 4.495
ASSI { 2383}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "3 " and name "HA ")
2.300 0.700 0.700 peak 2383 weight 0.10000E+01 volume 0.34500E+01 ppm1 7.931 ppm2 4.099
ASSI { 3265}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "72 " and name "HB2 ")
3.200 1.300 1.300 peak 3265 weight 0.10000E+01 volume 0.52800E+00 ppm1 8.107 ppm2 2.625
ASSI { 3261}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "73 " and name "HB1 ")
2.500 0.800 0.800 peak 3261 weight 0.10000E+01 volume 0.22730E+01 ppm1 8.109 ppm2 1.541
OR { 3261}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "73 " and name "HB2 ")
ASSI { 3262}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "73 " and name "HA ")
2.600 0.800 0.800 peak 3262 weight 0.10000E+01 volume 0.13800E+01 ppm1 8.107 ppm2 4.232
ASSI { 3263}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "73 " and name "HD13")
3.200 1.300 1.300 peak 3263 weight 0.10000E+01 volume 0.75700E+00 ppm1 8.107 ppm2 0.771
OR { 3263}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "73 " and name "HD23")
OR { 3263}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "73 " and name "HD11")
OR { 3263}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "73 " and name "HD22")
OR { 3263}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "73 " and name "HD21")
ASSI { 2759}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "37 " and name "HA ")
2.900 1.100 1.100 peak 2759 weight 0.10000E+01 volume 0.76000E+00 ppm1 9.327 ppm2 4.303
ASSI { 2761}
(segid " " and resid "37 " and name "HN ")
(segid " " and resid "37 " and name "HB1 ")
2.800 1.000 1.000 peak 2761 weight 0.10000E+01 volume 0.12130E+01 ppm1 9.328 ppm2 1.898
ASSI { 2859}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "42 " and name "HB2 ")
3.200 1.300 1.300 peak 2859 weight 0.10000E+01 volume 0.61000E+00 ppm1 8.993 ppm2 2.867
ASSI { 2857}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "43 " and name "HB1 ")
2.700 0.900 0.900 peak 2857 weight 0.10000E+01 volume 0.17270E+01 ppm1 8.993 ppm2 1.673
ASSI { 3321}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "81 " and name "HA ")
2.500 0.800 0.800 peak 3321 weight 0.10000E+01 volume 0.20520E+01 ppm1 8.659 ppm2 4.639
ASSI { 3325}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "60 " and name "HA ")
2.900 1.100 1.100 peak 3325 weight 0.10000E+01 volume 0.82500E+00 ppm1 8.656 ppm2 5.153
ASSI { 3420}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "89 " and name "HA ")
2.000 0.500 0.500 peak 3420 weight 0.10000E+01 volume 0.74450E+01 ppm1 9.006 ppm2 4.527
ASSI { 3487}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "94 " and name "HA1 ")
3.300 1.400 1.400 peak 3487 weight 0.10000E+01 volume 0.40000E+00 ppm1 8.542 ppm2 3.796
ASSI { 3488}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "12 " and name "HA ")
3.600 1.600 1.600 peak 3488 weight 0.10000E+01 volume 0.21500E+00 ppm1 8.547 ppm2 5.256
ASSI { 2815}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "41 " and name "HA ")
2.200 0.600 0.600 peak 2815 weight 0.10000E+01 volume 0.47610E+01 ppm1 8.756 ppm2 4.394
ASSI { 3276}
(segid " " and resid "74 " and name "HN ")
(segid " " and resid "73 " and name "HD23")
3.400 1.400 1.400 peak 3276 weight 0.10000E+01 volume 0.53400E+00 ppm1 8.090 ppm2 0.765
OR { 3276}
(segid " " and resid "74 " and name "HN ")
(segid " " and resid "73 " and name "HD22")
OR { 3276}
(segid " " and resid "74 " and name "HN ")
(segid " " and resid "73 " and name "HD13")
OR { 3276}
(segid " " and resid "74 " and name "HN ")
(segid " " and resid "73 " and name "HD11")
OR { 3276}
(segid " " and resid "74 " and name "HN ")
(segid " " and resid "73 " and name "HD21")
ASSI { 2495}
(segid " " and resid "14 " and name "HN ")
(segid " " and resid "22 " and name "HG12")
3.500 1.500 1.500 peak 2495 weight 0.10000E+01 volume 0.40200E+00 ppm1 10.342 ppm2 0.527
OR { 2495}
(segid " " and resid "14 " and name "HN ")
(segid " " and resid "22 " and name "HD12")
ASSI { 2490}
(segid " " and resid "14 " and name "HN ")
(segid " " and resid "13 " and name "HA ")
2.900 1.100 1.100 peak 2490 weight 0.10000E+01 volume 0.78200E+00 ppm1 10.340 ppm2 5.082
ASSI { 2698}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "42 " and name "HA ")
3.000 1.100 1.100 peak 2698 weight 0.10000E+01 volume 0.70900E+00 ppm1 9.144 ppm2 5.256
ASSI { 3601}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "107 " and name "HA ")
2.900 1.100 1.100 peak 3601 weight 0.10000E+01 volume 0.79800E+00 ppm1 8.235 ppm2 4.797
ASSI { 2363}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "47 " and name "HA ")
2.300 0.700 0.700 peak 2363 weight 0.10000E+01 volume 0.34480E+01 ppm1 9.179 ppm2 4.555
ASSI { 3184}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "48 " and name "HN ")
3.500 1.500 1.500 peak 3184 weight 0.10000E+01 volume 0.23100E+00 ppm1 8.783 ppm2 9.177
ASSI { 3178}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "66 " and name "HA ")
2.800 1.000 1.000 peak 3178 weight 0.10000E+01 volume 0.88100E+00 ppm1 8.776 ppm2 4.413
ASSI { 3296}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "77 " and name "HD11")
4.100 2.100 1.900 peak 3296 weight 0.10000E+01 volume 0.16600E+00 ppm1 8.156 ppm2 0.539
OR { 3296}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "77 " and name "HD12")
OR { 3296}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "77 " and name "HD13")
ASSI { 3294}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "77 " and name "HA ")
3.100 1.200 1.200 peak 3294 weight 0.10000E+01 volume 0.51300E+00 ppm1 8.155 ppm2 4.692
ASSI { 2361}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "36 " and name "HN ")
2.100 2.100 2.900 peak 2361 weight 0.10000E+01 volume 0.43440E+01 ppm1 8.681 ppm2 8.683
ASSI { 3506}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "98 " and name "HA ")
2.800 1.000 1.000 peak 3506 weight 0.10000E+01 volume 0.10760E+01 ppm1 9.291 ppm2 4.428
ASSI { 3509}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "98 " and name "HG11")
3.400 1.400 1.400 peak 3509 weight 0.10000E+01 volume 0.53400E+00 ppm1 9.291 ppm2 1.066
OR { 3509}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "98 " and name "HG12")
OR { 3509}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "98 " and name "HG13")
ASSI { 3499}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "97 " and name "HA ")
2.100 0.600 0.600 peak 3499 weight 0.10000E+01 volume 0.51720E+01 ppm1 9.292 ppm2 5.068
ASSI { 3503}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "98 " and name "HG21")
2.800 1.000 1.000 peak 3503 weight 0.10000E+01 volume 0.18810E+01 ppm1 9.294 ppm2 0.902
OR { 3503}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "98 " and name "HG23")
OR { 3503}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "98 " and name "HG22")
ASSI { 3508}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "97 " and name "HB2 ")
3.200 1.300 1.300 peak 3508 weight 0.10000E+01 volume 0.51700E+00 ppm1 9.291 ppm2 2.364
ASSI { 2659}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "85 " and name "HA ")
2.900 1.100 1.100 peak 2659 weight 0.10000E+01 volume 0.85200E+00 ppm1 9.752 ppm2 5.334
ASSI { 3387}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "87 " and name "HA ")
2.300 0.700 0.700 peak 3387 weight 0.10000E+01 volume 0.31150E+01 ppm1 9.043 ppm2 4.224
ASSI { 3394}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "88 " and name "HB1 ")
2.800 1.000 1.000 peak 3394 weight 0.10000E+01 volume 0.12300E+01 ppm1 9.046 ppm2 2.664
OR { 3394}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "88 " and name "HB2 ")
ASSI { 3685}
(segid " " and resid "10 " and name "HE ")
(segid " " and resid "10 " and name "HG1 ")
3.200 1.300 1.300 peak 3685 weight 0.10000E+01 volume 0.82000E+00 ppm1 8.287 ppm2 1.602
OR { 3685}
(segid " " and resid "10 " and name "HE ")
(segid " " and resid "10 " and name "HG2 ")
ASSI { 2715}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "31 " and name "HB2 ")
3.400 1.400 1.400 peak 2715 weight 0.10000E+01 volume 0.41700E+00 ppm1 7.982 ppm2 2.909
ASSI { 2709}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "32 " and name "HB2 ")
2.300 0.700 0.700 peak 2709 weight 0.10000E+01 volume 0.39040E+01 ppm1 7.983 ppm2 1.719
ASSI { 2710}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "32 " and name "HA ")
2.500 0.800 0.800 peak 2710 weight 0.10000E+01 volume 0.17330E+01 ppm1 7.984 ppm2 4.502
ASSI { 2941}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "50 " and name "HB2 ")
3.100 1.200 1.200 peak 2941 weight 0.10000E+01 volume 0.66200E+00 ppm1 9.850 ppm2 2.807
ASSI { 2938}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "50 " and name "HA ")
3.200 1.300 1.300 peak 2938 weight 0.10000E+01 volume 0.43700E+00 ppm1 9.848 ppm2 4.497
ASSI { 2946}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "63 " and name "HA1 ")
3.200 1.300 1.300 peak 2946 weight 0.10000E+01 volume 0.44000E+00 ppm1 9.851 ppm2 5.117
ASSI { 2638}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "27 " and name "HB1 ")
2.500 0.800 0.800 peak 2638 weight 0.10000E+01 volume 0.34660E+01 ppm1 8.810 ppm2 1.386
OR { 2638}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "27 " and name "HB3 ")
ASSI { 2637}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "26 " and name "HA ")
2.200 0.600 0.600 peak 2637 weight 0.10000E+01 volume 0.42660E+01 ppm1 8.810 ppm2 4.828
ASSI { 2649}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "28 " and name "HN ")
3.500 1.500 1.500 peak 2649 weight 0.10000E+01 volume 0.24300E+00 ppm1 8.812 ppm2 9.756
ASSI { 2646}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "45 " and name "HN ")
3.300 1.400 1.400 peak 2646 weight 0.10000E+01 volume 0.35900E+00 ppm1 8.806 ppm2 8.083
ASSI { 2816}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "40 " and name "HA ")
2.300 0.700 0.700 peak 2816 weight 0.10000E+01 volume 0.35780E+01 ppm1 9.117 ppm2 4.907
ASSI { 3615}
(segid " " and resid "108 " and name "HN ")
(segid " " and resid "108 " and name "HB2 ")
2.700 0.900 0.900 peak 3615 weight 0.10000E+01 volume 0.14560E+01 ppm1 8.476 ppm2 1.996
ASSI { 3614}
(segid " " and resid "108 " and name "HN ")
(segid " " and resid "108 " and name "HG1 ")
2.800 1.000 1.000 peak 3614 weight 0.10000E+01 volume 0.12360E+01 ppm1 8.476 ppm2 2.431
OR { 3614}
(segid " " and resid "108 " and name "HN ")
(segid " " and resid "108 " and name "HG2 ")
ASSI { 3611}
(segid " " and resid "108 " and name "HN ")
(segid " " and resid "108 " and name "HA ")
2.700 0.900 0.900 peak 3611 weight 0.10000E+01 volume 0.12480E+01 ppm1 8.476 ppm2 4.253
ASSI { 3631}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "52 " and name "HE2 ")
4.000 2.000 2.000 peak 3631 weight 0.10000E+01 volume 0.13800E+00 ppm1 9.727 ppm2 0.216
ASSI { 3625}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "53 " and name "HN ")
3.600 1.600 1.600 peak 3625 weight 0.10000E+01 volume 0.19300E+00 ppm1 9.735 ppm2 8.287
ASSI { 2733}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "32 " and name "HG2 ")
4.100 2.100 1.900 peak 2733 weight 0.10000E+01 volume 0.13600E+00 ppm1 7.861 ppm2 2.323
ASSI { 700}
(segid " " and resid "103 " and name "HE1 ")
(segid " " and resid "102 " and name "HG2 ")
4.200 2.200 1.800 peak 700 weight 0.10000E+01 volume 0.10800E+00 ppm1 10.012 ppm2 0.326
ASSI { 2713}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "32 " and name "HA ")
2.200 0.600 0.600 peak 2713 weight 0.10000E+01 volume 0.41850E+01 ppm1 7.854 ppm2 4.496
ASSI { 2724}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "40 " and name "HA ")
2.800 1.000 1.000 peak 2724 weight 0.10000E+01 volume 0.91600E+00 ppm1 7.854 ppm2 4.910
ASSI { 471}
(segid " " and resid "103 " and name "HE1 ")
(segid " " and resid "102 " and name "HE2 ")
3.400 1.400 1.400 peak 471 weight 0.10000E+01 volume 0.41800E+00 ppm1 10.018 ppm2 2.331
OR { 471}
(segid " " and resid "103 " and name "HE1 ")
(segid " " and resid "102 " and name "HE1 ")
ASSI { 695}
(segid " " and resid "103 " and name "HE1 ")
(segid " " and resid "102 " and name "HG1 ")
3.900 1.900 1.900 peak 695 weight 0.10000E+01 volume 0.18400E+00 ppm1 10.018 ppm2 0.700
ASSI { 3498}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "97 " and name "HA ")
2.800 1.000 1.000 peak 3498 weight 0.10000E+01 volume 0.10340E+01 ppm1 8.366 ppm2 5.068
ASSI { 3489}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "96 " and name "HA ")
2.100 0.600 0.600 peak 3489 weight 0.10000E+01 volume 0.55920E+01 ppm1 8.367 ppm2 4.016
ASSI { 3496}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "97 " and name "HB1 ")
2.400 0.700 0.700 peak 3496 weight 0.10000E+01 volume 0.28010E+01 ppm1 8.367 ppm2 2.788
ASSI { 3436}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "23 " and name "HA ")
2.700 0.900 0.900 peak 3436 weight 0.10000E+01 volume 0.11240E+01 ppm1 9.062 ppm2 4.917
ASSI { 3437}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "90 " and name "HG21")
3.100 1.200 1.200 peak 3437 weight 0.10000E+01 volume 0.99200E+00 ppm1 9.056 ppm2 1.032
OR { 3437}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "90 " and name "HG23")
OR { 3437}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "90 " and name "HG22")
ASSI { 3439}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "23 " and name "HB1 ")
3.100 1.200 1.200 peak 3439 weight 0.10000E+01 volume 0.63800E+00 ppm1 9.063 ppm2 3.828
OR { 3439}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "23 " and name "HB2 ")
ASSI { 3677}
(segid " " and resid "10 " and name "HE ")
(segid " " and resid "10 " and name "HD2 ")
3.000 1.100 1.100 peak 3677 weight 0.10000E+01 volume 0.10870E+01 ppm1 8.286 ppm2 3.105
ASSI { 3686}
(segid " " and resid "10 " and name "HE ")
(segid " " and resid "10 " and name "HG2 ")
3.500 1.500 1.500 peak 3686 weight 0.10000E+01 volume 0.43300E+00 ppm1 8.287 ppm2 1.494
ASSI { 3697}
(segid " " and resid "29 " and name "HE22")
(segid " " and resid "29 " and name "HB1 ")
2.900 1.100 1.100 peak 3697 weight 0.10000E+01 volume 0.96300E+00 ppm1 6.880 ppm2 2.219
OR { 3697}
(segid " " and resid "29 " and name "HE22")
(segid " " and resid "29 " and name "HG1 ")
OR { 3697}
(segid " " and resid "29 " and name "HE22")
(segid " " and resid "29 " and name "HG2 ")
ASSI { 3698}
(segid " " and resid "29 " and name "HE22")
(segid " " and resid "29 " and name "HB2 ")
3.500 1.500 1.500 peak 3698 weight 0.10000E+01 volume 0.33200E+00 ppm1 6.877 ppm2 1.881
OR { 3698}
(segid " " and resid "29 " and name "HE22")
(segid " " and resid "29 " and name "HG1 ")
OR { 3698}
(segid " " and resid "29 " and name "HE22")
(segid " " and resid "29 " and name "HG2 ")
ASSI { 2870}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "44 " and name "HA1 ")
2.600 0.800 0.800 peak 2870 weight 0.10000E+01 volume 0.15910E+01 ppm1 8.809 ppm2 4.393
ASSI { 2865}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "43 " and name "HA ")
2.300 0.700 0.700 peak 2865 weight 0.10000E+01 volume 0.36060E+01 ppm1 8.810 ppm2 3.225
ASSI { 3250}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "70 " and name "HA ")
2.500 0.800 0.800 peak 3250 weight 0.10000E+01 volume 0.18530E+01 ppm1 7.768 ppm2 4.370
ASSI { 3244}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "71 " and name "HA2 ")
2.500 0.800 0.800 peak 3244 weight 0.10000E+01 volume 0.17410E+01 ppm1 7.764 ppm2 3.698
ASSI { 3442}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "93 " and name "HA ")
2.100 0.600 0.600 peak 3442 weight 0.10000E+01 volume 0.47990E+01 ppm1 8.497 ppm2 4.165
ASSI { 3662}
(segid " " and resid "89 " and name "HE22")
(segid " " and resid "89 " and name "HE21")
1.600 0.300 0.600 peak 3662 weight 0.10000E+01 volume 0.21356E+02 ppm1 6.748 ppm2 7.413
ASSI { 2352}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "7 " and name "HN ")
2.600 0.800 0.800 peak 2352 weight 0.10000E+01 volume 0.12600E+01 ppm1 6.571 ppm2 3.997
ASSI { 3149}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "63 " and name "HA1 ")
2.600 0.800 0.800 peak 3149 weight 0.10000E+01 volume 0.16770E+01 ppm1 9.074 ppm2 5.105
ASSI { 2532}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "15 " and name "HB1 ")
3.300 1.400 1.400 peak 2532 weight 0.10000E+01 volume 0.45600E+00 ppm1 7.836 ppm2 2.947
ASSI { 2529}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "16 " and name "HA ")
3.100 1.200 1.200 peak 2529 weight 0.10000E+01 volume 0.55600E+00 ppm1 7.834 ppm2 3.910
ASSI { 2530}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "19 " and name "HN ")
3.100 1.200 1.200 peak 2530 weight 0.10000E+01 volume 0.47900E+00 ppm1 7.836 ppm2 9.819
ASSI { 2685}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "30 " and name "HA ")
2.900 1.100 1.100 peak 2685 weight 0.10000E+01 volume 0.82800E+00 ppm1 8.300 ppm2 4.832
ASSI { 2498}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "15 " and name "HB1 ")
2.500 0.800 0.800 peak 2498 weight 0.10000E+01 volume 0.23470E+01 ppm1 8.998 ppm2 2.943
ASSI { 3575}
(segid " " and resid "103 " and name "HN ")
(segid " " and resid "102 " and name "HA ")
3.300 1.400 1.400 peak 3575 weight 0.10000E+01 volume 0.33900E+00 ppm1 7.442 ppm2 3.995
ASSI { 2403}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "6 " and name "HG2 ")
2.600 0.800 0.800 peak 2403 weight 0.10000E+01 volume 0.21100E+01 ppm1 8.275 ppm2 1.371
OR { 2403}
(segid " " and resid "6 " and name "HN ")
(segid " " and resid "6 " and name "HB1 ")
ASSI { 3108}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "60 " and name "HA ")
2.400 0.700 0.700 peak 3108 weight 0.10000E+01 volume 0.25030E+01 ppm1 8.770 ppm2 5.153
ASSI { 3593}
(segid " " and resid "106 " and name "HN ")
(segid " " and resid "106 " and name "HA ")
3.200 1.300 1.300 peak 3593 weight 0.10000E+01 volume 0.40300E+00 ppm1 7.575 ppm2 4.498
ASSI { 2850}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "42 " and name "HA ")
2.300 0.700 0.700 peak 2850 weight 0.10000E+01 volume 0.32350E+01 ppm1 8.995 ppm2 5.256
ASSI { 3421}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "90 " and name "HB ")
2.300 0.700 0.700 peak 3421 weight 0.10000E+01 volume 0.41970E+01 ppm1 9.006 ppm2 4.019
OR { 3421}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "90 " and name "HA ")
ASSI { 3597}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "106 " and name "HA ")
2.300 0.700 0.700 peak 3597 weight 0.10000E+01 volume 0.32920E+01 ppm1 8.234 ppm2 4.498
ASSI { 2707}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "31 " and name "HA ")
2.100 0.600 0.600 peak 2707 weight 0.10000E+01 volume 0.49370E+01 ppm1 7.984 ppm2 4.613
ASSI { 2940}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "49 " and name "HA ")
2.500 0.800 0.800 peak 2940 weight 0.10000E+01 volume 0.19320E+01 ppm1 9.846 ppm2 4.376
ASSI { 2838}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "41 " and name "HD11")
4.000 2.000 2.000 peak 2838 weight 0.10000E+01 volume 0.19400E+00 ppm1 9.120 ppm2 0.291
OR { 2838}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "41 " and name "HD12")
OR { 2838}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "41 " and name "HD13")
ASSI { 3608}
(segid " " and resid "108 " and name "HN ")
(segid " " and resid "107 " and name "HA ")
2.200 0.600 0.600 peak 3608 weight 0.10000E+01 volume 0.38950E+01 ppm1 8.476 ppm2 4.797
ASSI { 712}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "61 " and name "HD1 ")
2.600 0.800 0.800 peak 712 weight 0.10000E+01 volume 0.48570E+01 ppm1 9.734 ppm2 7.548
OR { 712}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "61 " and name "HZ2 ")
ASSI { 3671}
(segid " " and resid "10 " and name "HE ")
(segid " " and resid "10 " and name "HD1 ")
3.300 1.400 1.400 peak 3671 weight 0.10000E+01 volume 0.69600E+00 ppm1 8.287 ppm2 3.303
ASSI { 3048}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "57 " and name "HA2 ")
2.500 0.800 0.800 peak 3048 weight 0.10000E+01 volume 0.18900E+01 ppm1 7.738 ppm2 3.538
ASSI { 3257}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "70 " and name "HB1 ")
3.600 1.600 1.600 peak 3257 weight 0.10000E+01 volume 0.29100E+00 ppm1 7.765 ppm2 3.017
ASSI { 2952}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "50 " and name "HN ")
2.400 0.700 0.700 peak 2952 weight 0.10000E+01 volume 0.24430E+01 ppm1 8.577 ppm2 9.848
ASSI { 3655}
(segid " " and resid "45 " and name "HE21")
(segid " " and resid "45 " and name "HE22")
2.000 0.500 0.500 peak 3655 weight 0.10000E+01 volume 0.71500E+01 ppm1 7.750 ppm2 6.918
ASSI { 2666}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "28 " and name "HN ")
2.400 0.700 0.700 peak 2666 weight 0.10000E+01 volume 0.22920E+01 ppm1 7.415 ppm2 9.755
ASSI { 2517}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "18 " and name "HN ")
2.200 0.600 0.600 peak 2517 weight 0.10000E+01 volume 0.32760E+01 ppm1 7.834 ppm2 8.438
ASSI { 2755}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "37 " and name "HN ")
3.200 1.300 1.300 peak 2755 weight 0.10000E+01 volume 0.42000E+00 ppm1 8.730 ppm2 9.330
ASSI { 2509}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "16 " and name "HA ")
2.600 0.800 0.800 peak 2509 weight 0.10000E+01 volume 0.13900E+01 ppm1 8.998 ppm2 3.910
ASSI { 2478}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "12 " and name "HA ")
2.200 0.600 0.600 peak 2478 weight 0.10000E+01 volume 0.37720E+01 ppm1 9.172 ppm2 5.259
ASSI { 7590}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "52 " and name "HG2 ")
3.900 1.900 1.900 peak 7590 weight 0.10000E+01 volume 0.16400E+00 ppm1 8.616 ppm2 -0.805
ASSI { 2562}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "21 " and name "HA ")
2.500 0.800 0.800 peak 2562 weight 0.10000E+01 volume 0.20470E+01 ppm1 9.130 ppm2 3.510
ASSI { 3154}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "64 " and name "HA ")
2.400 0.700 0.700 peak 3154 weight 0.10000E+01 volume 0.27030E+01 ppm1 8.968 ppm2 5.231
ASSI { 2790}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "38 " and name "HA ")
2.500 0.800 0.800 peak 2790 weight 0.10000E+01 volume 0.18670E+01 ppm1 9.144 ppm2 5.391
ASSI { 2901}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "45 " and name "HA ")
2.200 0.600 0.600 peak 2901 weight 0.10000E+01 volume 0.43400E+01 ppm1 8.388 ppm2 4.251
ASSI { 197}
(segid " " and resid "103 " and name "HE1 ")
(segid " " and resid "103 " and name "HZ2 ")
3.000 1.100 1.100 peak 197 weight 0.10000E+01 volume 0.17430E+01 ppm1 10.015 ppm2 7.338
ASSI { 194}
(segid " " and resid "103 " and name "HE1 ")
(segid " " and resid "103 " and name "HD1 ")
2.600 0.800 0.800 peak 194 weight 0.10000E+01 volume 0.44130E+01 ppm1 10.014 ppm2 7.111
ASSI { 2868}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "44 " and name "HA2 ")
2.500 0.800 0.800 peak 2868 weight 0.10000E+01 volume 0.18220E+01 ppm1 8.809 ppm2 3.489
ASSI { 2266}
(segid " " and resid "2 " and name "HN ")
(segid " " and resid "2 " and name "HA1 ")
2.600 0.800 0.800 peak 2266 weight 0.10000E+01 volume 0.14350E+01 ppm1 8.707 ppm2 4.382
ASSI { 2387}
(segid " " and resid "4 " and name "HN ")
(segid " " and resid "4 " and name "HA ")
3.200 1.300 1.300 peak 2387 weight 0.10000E+01 volume 0.44100E+00 ppm1 7.929 ppm2 5.046
ASSI { 2433}
(segid " " and resid "10 " and name "HN ")
(segid " " and resid "10 " and name "HA ")
2.900 1.100 1.100 peak 2433 weight 0.10000E+01 volume 0.78400E+00 ppm1 7.821 ppm2 5.203
ASSI { 2625}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "26 " and name "HA ")
2.900 1.100 1.100 peak 2625 weight 0.10000E+01 volume 0.78800E+00 ppm1 8.405 ppm2 4.829
ASSI { 2779}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "38 " and name "HA ")
3.200 1.300 1.300 peak 2779 weight 0.10000E+01 volume 0.41000E+00 ppm1 8.440 ppm2 5.388
ASSI { 2886}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "49 " and name "HA ")
3.100 1.200 1.200 peak 2886 weight 0.10000E+01 volume 0.53600E+00 ppm1 8.969 ppm2 4.367
ASSI { 2956}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "51 " and name "HA ")
3.000 1.100 1.100 peak 2956 weight 0.10000E+01 volume 0.60200E+00 ppm1 8.580 ppm2 5.482
ASSI { 3218}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "70 " and name "HA ")
2.700 0.900 0.900 peak 3218 weight 0.10000E+01 volume 0.13330E+01 ppm1 8.147 ppm2 4.361
ASSI { 2876}
(segid " " and resid "80 " and name "HN ")
(segid " " and resid "80 " and name "HA ")
3.200 1.300 1.300 peak 2876 weight 0.10000E+01 volume 0.42300E+00 ppm1 8.866 ppm2 5.250
ASSI { 3483}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "96 " and name "HA ")
2.800 1.000 1.000 peak 3483 weight 0.10000E+01 volume 0.10560E+01 ppm1 8.545 ppm2 4.018
ASSI { 3515}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "100 " and name "HA ")
2.900 1.100 1.100 peak 3515 weight 0.10000E+01 volume 0.74700E+00 ppm1 7.862 ppm2 4.489
ASSI { 2499}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "14 " and name "HN ")
2.600 0.800 0.800 peak 2499 weight 0.10000E+01 volume 0.15320E+01 ppm1 7.601 ppm2 10.343
ASSI { 3144}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "79 " and name "HA ")
3.300 1.400 1.400 peak 3144 weight 0.10000E+01 volume 0.39200E+00 ppm1 9.411 ppm2 5.793
ASSI { 2419}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "7 " and name "HD23")
4.300 2.300 1.700 peak 2419 weight 0.10000E+01 volume 0.12600E+00 ppm1 6.572 ppm2 -0.066
OR { 2419}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "7 " and name "HD21")
OR { 2419}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "7 " and name "HD22")
ASSI { 2526}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "16 " and name "HN ")
2.700 0.900 0.900 peak 2526 weight 0.10000E+01 volume 0.11010E+01 ppm1 7.833 ppm2 8.999
ASSI { 3320}
(segid " " and resid "79 " and name "HN ")
(segid " " and resid "79 " and name "HA ")
3.600 1.600 1.600 peak 3320 weight 0.10000E+01 volume 0.20600E+00 ppm1 8.503 ppm2 5.809
ASSI { 2474}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "51 " and name "HA ")
4.000 2.000 2.000 peak 2474 weight 0.10000E+01 volume 0.11500E+00 ppm1 8.883 ppm2 5.495
ASSI { 2972}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "51 " and name "HA ")
2.300 0.700 0.700 peak 2972 weight 0.10000E+01 volume 0.28920E+01 ppm1 8.613 ppm2 5.483
ASSI { 3123}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "79 " and name "HA ")
4.000 2.000 2.000 peak 3123 weight 0.10000E+01 volume 0.10700E+00 ppm1 8.765 ppm2 5.813
ASSI { 7591}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "52 " and name "HG2 ")
4.000 2.000 2.000 peak 7591 weight 0.10000E+01 volume 0.15500E+00 ppm1 8.291 ppm2 -0.815
ASSI { 3624}
(segid " " and resid "61 " and name "HE1 ")
(segid " " and resid "52 " and name "HG2 ")
3.500 1.500 1.500 peak 3624 weight 0.10000E+01 volume 0.31700E+00 ppm1 9.735 ppm2 -0.809
ASSI { 3426}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "90 " and name "HA ")
2.300 0.700 0.700 peak 3426 weight 0.10000E+01 volume 0.33060E+01 ppm1 9.060 ppm2 4.023
ASSI { 2866}
(segid " " and resid "80 " and name "HN ")
(segid " " and resid "79 " and name "HA ")
2.500 0.800 0.800 peak 2866 weight 0.10000E+01 volume 0.21110E+01 ppm1 8.866 ppm2 5.801
Contact the webmaster for help, if required. Monday, May 6, 2024 8:54:07 AM GMT (wattos1)