NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
580140 | 4ch1 | 19653 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
!Unambiguous restraints ! ASSI { 6} (( segid "T22D" and resid 83 and name HN )) (( segid "T22D" and resid 35 and name HB )) 2.600 0.900 0.900 peak 6 spectrum 1 weight 0.10000E+01 volume 0.26952E-02 ppm1 8.447 ppm2 4.571 CV 1 ASSI { 8} (( segid "T22D" and resid 83 and name HN )) (( segid "T22D" and resid 82 and name HA )) 2.200 0.600 0.600 peak 8 spectrum 1 weight 0.10000E+01 volume 0.67606E-02 ppm1 8.448 ppm2 5.204 CV 1 ASSI { 10} (( segid "T22D" and resid 83 and name HN )) ( segid "T22D" and resid 89 and name HB% ) 4.200 2.200 1.800 peak 10 spectrum 1 weight 0.10000E+01 volume 0.39506E-03 ppm1 8.445 ppm2 1.593 CV 1 ASSI { 13} (( segid "T22D" and resid 90 and name HN )) (( segid "T22D" and resid 35 and name HA )) 4.700 2.800 1.300 peak 13 spectrum 1 weight 0.10000E+01 volume 0.43649E-03 ppm1 8.555 ppm2 4.395 CV 1 ASSI { 19} (( segid "T22D" and resid 31 and name HN )) (( segid "T22D" and resid 30 and name HA )) 3.000 1.100 1.100 peak 19 spectrum 1 weight 0.10000E+01 volume 0.20219E-02 ppm1 8.422 ppm2 4.285 CV 1 ASSI { 20} (( segid "T22D" and resid 31 and name HN )) (( segid "T22D" and resid 31 and name HB1 )) 3.200 1.300 1.300 peak 20 spectrum 1 weight 0.10000E+01 volume 0.12896E-02 ppm1 8.409 ppm2 2.631 CV 1 ASSI { 21} (( segid "T22D" and resid 32 and name HN )) (( segid "T22D" and resid 31 and name HA )) 2.700 0.900 0.900 peak 21 spectrum 1 weight 0.10000E+01 volume 0.43816E-02 ppm1 8.092 ppm2 4.630 CV 1 ASSI { 22} (( segid "T22D" and resid 32 and name HN )) ( segid "T22D" and resid 32 and name HG2%) 3.200 1.300 1.300 peak 22 spectrum 1 weight 0.10000E+01 volume 0.14548E-02 ppm1 8.092 ppm2 1.074 CV 1 ASSI { 24} (( segid "T22D" and resid 33 and name HN )) (( segid "T22D" and resid 32 and name HA )) 2.900 1.100 1.100 peak 24 spectrum 1 weight 0.10000E+01 volume 0.21865E-02 ppm1 8.060 ppm2 4.614 CV 1 ASSI { 25} (( segid "T22D" and resid 33 and name HN )) ( segid "T22D" and resid 32 and name HG2%) 4.500 2.500 1.500 peak 25 spectrum 1 weight 0.10000E+01 volume 0.60850E-03 ppm1 8.061 ppm2 1.105 CV 1 ASSI { 26} (( segid "T22D" and resid 33 and name HN )) (( segid "T22D" and resid 33 and name HA )) 2.600 0.900 0.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.37455E-02 ppm1 8.059 ppm2 3.765 CV 1 ASSI { 27} (( segid "T22D" and resid 33 and name HN )) (( segid "T22D" and resid 33 and name HB1 )) 2.700 0.900 0.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.62744E-02 ppm1 8.058 ppm2 1.301 CV 1 ASSI { 28} (( segid "T22D" and resid 33 and name HN )) (( segid "T22D" and resid 33 and name HB2 )) 2.300 0.600 0.600 peak 28 spectrum 1 weight 0.10000E+01 volume 0.65012E-02 ppm1 8.058 ppm2 1.769 CV 1 ASSI { 30} (( segid "T22D" and resid 33 and name HN )) (( segid "T22D" and resid 34 and name HN )) 3.300 1.300 1.300 peak 30 spectrum 1 weight 0.10000E+01 volume 0.18861E-02 ppm1 8.060 ppm2 8.420 CV 1 ASSI { 32} (( segid "T22D" and resid 34 and name HN )) (( segid "T22D" and resid 33 and name HA )) 3.400 1.400 1.400 peak 32 spectrum 1 weight 0.10000E+01 volume 0.81001E-03 ppm1 8.451 ppm2 3.746 CV 1 ASSI { 33} (( segid "T22D" and resid 34 and name HN )) (( segid "T22D" and resid 33 and name HB1 )) 2.600 0.900 0.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.32917E-02 ppm1 8.450 ppm2 1.298 CV 1 ASSI { 34} (( segid "T22D" and resid 34 and name HN )) (( segid "T22D" and resid 33 and name HB2 )) 3.400 1.400 1.400 peak 34 spectrum 1 weight 0.10000E+01 volume 0.17916E-02 ppm1 8.449 ppm2 1.777 CV 1 ASSI { 35} (( segid "T22D" and resid 34 and name HN )) (( segid "T22D" and resid 34 and name HA )) 2.700 0.900 0.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.31323E-02 ppm1 8.453 ppm2 4.939 CV 1 ASSI { 36} (( segid "T22D" and resid 34 and name HN )) (( segid "T22D" and resid 34 and name HB1 )) 3.200 1.300 1.300 peak 36 spectrum 1 weight 0.10000E+01 volume 0.35788E-02 ppm1 8.450 ppm2 2.733 CV 1 ASSI { 37} (( segid "T22D" and resid 34 and name HN )) (( segid "T22D" and resid 34 and name HB2 )) 2.900 1.000 1.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.17571E-02 ppm1 8.452 ppm2 3.515 CV 1 ASSI { 38} (( segid "T22D" and resid 34 and name HN )) ( segid "T22D" and resid 34 and name HD% ) 2.900 1.000 1.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.21377E-02 ppm1 8.451 ppm2 7.217 CV 1 ASSI { 39} (( segid "T22D" and resid 34 and name HN )) (( segid "T22D" and resid 35 and name HN )) 2.700 0.900 0.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.38325E-02 ppm1 8.453 ppm2 7.427 CV 1 ASSI { 42} (( segid "T22D" and resid 35 and name HN )) (( segid "T22D" and resid 32 and name HA )) 3.300 3.300 2.700 peak 42 spectrum 1 weight 0.10000E+01 volume 0.19041E-02 ppm1 7.454 ppm2 4.608 CV 1 ASSI { 43} (( segid "T22D" and resid 35 and name HN )) (( segid "T22D" and resid 33 and name HB1 )) 4.000 2.000 2.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.49132E-03 ppm1 7.446 ppm2 1.302 CV 1 ASSI { 45} (( segid "T22D" and resid 35 and name HN )) (( segid "T22D" and resid 34 and name HA )) 3.000 1.100 1.100 peak 45 spectrum 1 weight 0.10000E+01 volume 0.17084E-02 ppm1 7.452 ppm2 4.947 CV 1 ASSI { 46} (( segid "T22D" and resid 35 and name HN )) (( segid "T22D" and resid 35 and name HA )) 3.100 1.200 1.200 peak 46 spectrum 1 weight 0.10000E+01 volume 0.14243E-02 ppm1 7.458 ppm2 4.401 CV 1 ASSI { 47} (( segid "T22D" and resid 35 and name HN )) ( segid "T22D" and resid 35 and name HG2%) 3.000 1.100 1.100 peak 47 spectrum 1 weight 0.10000E+01 volume 0.22322E-02 ppm1 7.455 ppm2 0.799 CV 1 ASSI { 49} (( segid "T22D" and resid 35 and name HN )) (( segid "T22D" and resid 36 and name HB1 )) 4.400 2.500 1.600 peak 49 spectrum 1 weight 0.10000E+01 volume 0.56897E-03 ppm1 7.453 ppm2 1.784 CV 1 ASSI { 51} (( segid "T22D" and resid 36 and name HN )) ( segid "T22D" and resid 82 and name HG2%) 3.700 1.700 1.700 peak 51 spectrum 1 weight 0.10000E+01 volume 0.73403E-03 ppm1 7.905 ppm2 1.129 CV 1 ASSI { 53} (( segid "T22D" and resid 36 and name HN )) (( segid "T22D" and resid 82 and name HA )) 4.200 2.200 1.800 peak 53 spectrum 1 weight 0.10000E+01 volume 0.45705E-03 ppm1 7.904 ppm2 5.199 CV 1 ASSI { 55} (( segid "T22D" and resid 36 and name HN )) (( segid "T22D" and resid 35 and name HN )) 2.400 0.700 0.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.63682E-02 ppm1 7.902 ppm2 7.428 CV 1 ASSI { 56} (( segid "T22D" and resid 36 and name HN )) (( segid "T22D" and resid 35 and name HA )) 3.200 1.300 1.300 peak 56 spectrum 1 weight 0.10000E+01 volume 0.13841E-02 ppm1 7.908 ppm2 4.404 CV 1 ASSI { 57} (( segid "T22D" and resid 36 and name HN )) (( segid "T22D" and resid 36 and name HA )) 2.900 1.000 1.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.19032E-02 ppm1 7.904 ppm2 4.951 CV 1 ASSI { 58} (( segid "T22D" and resid 36 and name HN )) (( segid "T22D" and resid 36 and name HB1 )) 2.600 0.800 0.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.28028E-02 ppm1 7.899 ppm2 1.765 CV 1 ASSI { 59} (( segid "T22D" and resid 36 and name HN )) (( segid "T22D" and resid 36 and name HB2 )) 2.700 0.900 0.900 peak 59 spectrum 1 weight 0.10000E+01 volume 0.29799E-02 ppm1 7.903 ppm2 2.036 CV 1 ASSI { 60} (( segid "T22D" and resid 36 and name HN )) (( segid "T22D" and resid 37 and name HN )) 4.200 2.200 1.800 peak 60 spectrum 1 weight 0.10000E+01 volume 0.69908E-03 ppm1 7.882 ppm2 10.036 CV 1 ASSI { 61} (( segid "T22D" and resid 36 and name HN )) (( segid "T22D" and resid 83 and name HN )) 3.600 1.600 1.600 peak 61 spectrum 1 weight 0.10000E+01 volume 0.10769E-02 ppm1 7.900 ppm2 8.419 CV 1 ASSI { 62} (( segid "T22D" and resid 37 and name HN )) (( segid "T22D" and resid 37 and name HG11)) 2.900 1.000 1.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.11221E-02 ppm1 10.078 ppm2 1.678 CV 1 ASSI { 63} (( segid "T22D" and resid 37 and name HN )) (( segid "T22D" and resid 37 and name HB )) 2.800 1.000 1.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.19263E-02 ppm1 10.079 ppm2 1.859 CV 1 ASSI { 64} (( segid "T22D" and resid 37 and name HN )) (( segid "T22D" and resid 36 and name HA )) 2.500 0.800 0.800 peak 64 spectrum 1 weight 0.10000E+01 volume 0.31314E-02 ppm1 10.078 ppm2 4.956 CV 1 ASSI { 65} (( segid "T22D" and resid 37 and name HN )) (( segid "T22D" and resid 36 and name HG2 )) 3.900 1.900 1.900 peak 65 spectrum 1 weight 0.10000E+01 volume 0.40894E-03 ppm1 10.079 ppm2 1.376 CV 1 ASSI { 66} (( segid "T22D" and resid 37 and name HN )) (( segid "T22D" and resid 37 and name HG12)) 4.600 2.600 1.400 peak 66 spectrum 1 weight 0.10000E+01 volume 0.50137E-03 ppm1 10.074 ppm2 0.514 CV 1 ASSI { 67} (( segid "T22D" and resid 37 and name HN )) ( segid "T22D" and resid 37 and name HG2%) 4.200 2.200 1.800 peak 67 spectrum 1 weight 0.10000E+01 volume 0.77439E-03 ppm1 10.077 ppm2 0.684 CV 1 ASSI { 70} (( segid "T22D" and resid 37 and name HN )) ( segid "T22D" and resid 109 and name HD2%) 4.900 3.000 1.100 peak 70 spectrum 1 weight 0.10000E+01 volume 0.40537E-03 ppm1 10.081 ppm2 0.910 CV 1 ASSI { 71} (( segid "T22D" and resid 38 and name HN )) (( segid "T22D" and resid 109 and name HA )) 3.700 1.700 1.700 peak 71 spectrum 1 weight 0.10000E+01 volume 0.88778E-03 ppm1 9.272 ppm2 4.518 CV 1 ASSI { 73} (( segid "T22D" and resid 38 and name HN )) ( segid "T22D" and resid 109 and name HD2%) 5.000 3.200 1.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.43995E-03 ppm1 9.276 ppm2 0.856 CV 1 ASSI { 74} (( segid "T22D" and resid 38 and name HN )) (( segid "T22D" and resid 37 and name HA )) 2.200 0.600 0.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.60246E-02 ppm1 9.268 ppm2 4.184 CV 1 ASSI { 76} (( segid "T22D" and resid 38 and name HN )) (( segid "T22D" and resid 38 and name HB1 )) 2.700 0.900 0.900 peak 76 spectrum 1 weight 0.10000E+01 volume 0.19100E-02 ppm1 9.271 ppm2 2.599 CV 1 ASSI { 77} (( segid "T22D" and resid 38 and name HN )) (( segid "T22D" and resid 38 and name HB2 )) 2.800 1.000 1.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.29132E-02 ppm1 9.271 ppm2 2.778 CV 1 ASSI { 78} (( segid "T22D" and resid 38 and name HN )) ( segid "T22D" and resid 38 and name HD% ) 4.500 2.500 1.500 peak 78 spectrum 1 weight 0.10000E+01 volume 0.67569E-03 ppm1 9.277 ppm2 6.661 CV 1 ASSI { 80} (( segid "T22D" and resid 38 and name HN )) (( segid "T22D" and resid 110 and name HN )) 3.100 1.200 1.200 peak 80 spectrum 1 weight 0.10000E+01 volume 0.14322E-02 ppm1 9.262 ppm2 9.606 CV 1 ASSI { 81} (( segid "T22D" and resid 38 and name HN )) ( segid "T22D" and resid 110 and name HB% ) 3.000 1.100 1.100 peak 81 spectrum 1 weight 0.10000E+01 volume 0.17811E-02 ppm1 9.269 ppm2 1.636 CV 1 ASSI { 82} (( segid "T22D" and resid 39 and name HN )) (( segid "T22D" and resid 38 and name HB1 )) 4.700 2.700 1.300 peak 82 spectrum 1 weight 0.10000E+01 volume 0.41906E-03 ppm1 7.536 ppm2 2.599 CV 1 ASSI { 83} (( segid "T22D" and resid 39 and name HN )) (( segid "T22D" and resid 38 and name HA )) 2.200 0.600 0.600 peak 83 spectrum 1 weight 0.10000E+01 volume 0.61801E-02 ppm1 7.538 ppm2 4.577 CV 1 ASSI { 84} (( segid "T22D" and resid 39 and name HN )) ( segid "T22D" and resid 38 and name HD% ) 3.400 1.500 1.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.11135E-02 ppm1 7.538 ppm2 6.631 CV 1 ASSI { 85} (( segid "T22D" and resid 39 and name HN )) (( segid "T22D" and resid 39 and name HA )) 3.000 1.100 1.100 peak 85 spectrum 1 weight 0.10000E+01 volume 0.15203E-02 ppm1 7.534 ppm2 4.380 CV 1 ASSI { 86} (( segid "T22D" and resid 39 and name HN )) (( segid "T22D" and resid 39 and name HB )) 2.700 0.900 0.900 peak 86 spectrum 1 weight 0.10000E+01 volume 0.24686E-02 ppm1 7.536 ppm2 1.441 CV 1 ASSI { 89} (( segid "T22D" and resid 39 and name HN )) (( segid "T22D" and resid 80 and name HA )) 3.600 1.600 1.600 peak 89 spectrum 1 weight 0.10000E+01 volume 0.50029E-03 ppm1 7.544 ppm2 5.582 CV 1 ASSI { 90} (( segid "T22D" and resid 40 and name HN )) (( segid "T22D" and resid 40 and name HA2 )) 3.500 1.500 1.500 peak 90 spectrum 1 weight 0.10000E+01 volume 0.87865E-03 ppm1 9.018 ppm2 4.168 CV 1 ASSI { 93} (( segid "T22D" and resid 40 and name HN )) (( segid "T22D" and resid 39 and name HA )) 2.400 0.700 0.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.41454E-02 ppm1 9.015 ppm2 4.363 CV 1 ASSI { 94} (( segid "T22D" and resid 40 and name HN )) ( segid "T22D" and resid 39 and name HG1%) 3.200 1.300 1.300 peak 94 spectrum 1 weight 0.10000E+01 volume 0.11689E-02 ppm1 9.018 ppm2 0.658 CV 1 OR { 94} (( segid "T22D" and resid 40 and name HN )) ( segid "T22D" and resid 39 and name HG2%) ASSI { 95} (( segid "T22D" and resid 40 and name HN )) (( segid "T22D" and resid 40 and name HA1 )) 3.100 1.200 1.200 peak 95 spectrum 1 weight 0.10000E+01 volume 0.10603E-02 ppm1 9.014 ppm2 3.737 CV 1 ASSI { 98} (( segid "T22D" and resid 40 and name HN )) ( segid "T22D" and resid 107 and name HG2%) 4.200 2.300 1.800 peak 98 spectrum 1 weight 0.10000E+01 volume 0.46088E-03 ppm1 9.005 ppm2 1.011 CV 1 OR { 98} (( segid "T22D" and resid 40 and name HN )) ( segid "T22D" and resid 107 and name HG1%) ASSI { 99} (( segid "T22D" and resid 42 and name HN )) (( segid "T22D" and resid 42 and name HB1 )) 4.000 2.000 2.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.11528E-02 ppm1 7.699 ppm2 1.146 CV 1 ASSI { 100} (( segid "T22D" and resid 42 and name HN )) (( segid "T22D" and resid 41 and name HA2 )) 3.700 1.700 1.700 peak 100 spectrum 1 weight 0.10000E+01 volume 0.59658E-03 ppm1 7.699 ppm2 3.986 CV 1 ASSI { 102} (( segid "T22D" and resid 42 and name HN )) (( segid "T22D" and resid 42 and name HA )) 3.100 1.200 1.200 peak 102 spectrum 1 weight 0.10000E+01 volume 0.10850E-02 ppm1 7.693 ppm2 4.282 CV 1 ASSI { 104} (( segid "T22D" and resid 42 and name HN )) (( segid "T22D" and resid 42 and name HB2 )) 2.700 0.900 0.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.18900E-02 ppm1 7.696 ppm2 0.932 CV 1 ASSI { 105} (( segid "T22D" and resid 42 and name HN )) ( segid "T22D" and resid 42 and name HD1%) 3.900 1.900 1.900 peak 105 spectrum 1 weight 0.10000E+01 volume 0.12978E-02 ppm1 7.691 ppm2 0.434 CV 1 ASSI { 106} (( segid "T22D" and resid 42 and name HN )) ( segid "T22D" and resid 42 and name HD2%) 3.800 1.800 1.800 peak 106 spectrum 1 weight 0.10000E+01 volume 0.11693E-02 ppm1 7.693 ppm2 0.628 CV 1 ASSI { 108} (( segid "T22D" and resid 44 and name HN )) (( segid "T22D" and resid 45 and name HA )) 3.000 3.000 3.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.52373E-02 ppm1 8.306 ppm2 4.792 CV 1 ASSI { 109} (( segid "T22D" and resid 44 and name HN )) (( segid "T22D" and resid 44 and name HA )) 3.200 1.300 1.300 peak 109 spectrum 1 weight 0.10000E+01 volume 0.97026E-03 ppm1 8.308 ppm2 4.221 CV 1 ASSI { 110} (( segid "T22D" and resid 44 and name HN )) (( segid "T22D" and resid 44 and name HB1 )) 4.100 2.100 1.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.96734E-03 ppm1 8.302 ppm2 3.268 CV 1 ASSI { 111} (( segid "T22D" and resid 44 and name HN )) (( segid "T22D" and resid 44 and name HB2 )) 2.900 1.100 1.100 peak 111 spectrum 1 weight 0.10000E+01 volume 0.13545E-02 ppm1 8.303 ppm2 2.814 CV 1 ASSI { 112} (( segid "T22D" and resid 44 and name HN )) ( segid "T22D" and resid 44 and name HD% ) 3.300 1.300 1.300 peak 112 spectrum 1 weight 0.10000E+01 volume 0.11143E-02 ppm1 8.302 ppm2 6.814 CV 1 ASSI { 113} (( segid "T22D" and resid 46 and name HN )) (( segid "T22D" and resid 43 and name HB2 )) 3.200 1.300 1.300 peak 113 spectrum 1 weight 0.10000E+01 volume 0.95375E-03 ppm1 7.275 ppm2 1.593 CV 1 ASSI { 115} (( segid "T22D" and resid 46 and name HN )) (( segid "T22D" and resid 46 and name HA )) 3.100 1.200 1.200 peak 115 spectrum 1 weight 0.10000E+01 volume 0.12890E-02 ppm1 7.272 ppm2 4.011 CV 1 ASSI { 116} (( segid "T22D" and resid 46 and name HN )) (( segid "T22D" and resid 46 and name HB )) 2.600 0.800 0.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.42981E-02 ppm1 7.278 ppm2 3.702 CV 1 ASSI { 117} (( segid "T22D" and resid 46 and name HN )) ( segid "T22D" and resid 46 and name HG2%) 3.900 1.900 1.900 peak 117 spectrum 1 weight 0.10000E+01 volume 0.12300E-02 ppm1 7.276 ppm2 1.129 CV 1 ASSI { 118} (( segid "T22D" and resid 47 and name HN )) ( segid "T22D" and resid 50 and name HG2%) 4.000 2.000 2.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.11018E-02 ppm1 8.418 ppm2 1.293 CV 1 ASSI { 121} (( segid "T22D" and resid 47 and name HN )) (( segid "T22D" and resid 46 and name HA )) 2.100 0.600 0.600 peak 121 spectrum 1 weight 0.10000E+01 volume 0.10422E-01 ppm1 8.416 ppm2 4.008 CV 1 ASSI { 122} (( segid "T22D" and resid 47 and name HN )) ( segid "T22D" and resid 46 and name HG2%) 2.600 0.900 0.900 peak 122 spectrum 1 weight 0.10000E+01 volume 0.35253E-02 ppm1 8.417 ppm2 1.123 CV 1 ASSI { 124} (( segid "T22D" and resid 47 and name HN )) (( segid "T22D" and resid 50 and name HN )) 3.500 1.500 1.500 peak 124 spectrum 1 weight 0.10000E+01 volume 0.89783E-03 ppm1 8.417 ppm2 7.881 CV 1 ASSI { 125} (( segid "T22D" and resid 47 and name HN )) (( segid "T22D" and resid 50 and name HB )) 2.700 0.900 0.900 peak 125 spectrum 1 weight 0.10000E+01 volume 0.19849E-02 ppm1 8.419 ppm2 4.464 CV 1 ASSI { 126} (( segid "T22D" and resid 48 and name HN )) (( segid "T22D" and resid 47 and name HN )) 4.000 2.000 2.000 peak 126 spectrum 1 weight 0.10000E+01 volume 0.80900E-03 ppm1 8.706 ppm2 8.400 CV 1 ASSI { 127} (( segid "T22D" and resid 48 and name HN )) (( segid "T22D" and resid 47 and name HA )) 2.300 0.600 0.600 peak 127 spectrum 1 weight 0.10000E+01 volume 0.74520E-02 ppm1 8.712 ppm2 4.831 CV 1 ASSI { 128} (( segid "T22D" and resid 48 and name HN )) (( segid "T22D" and resid 47 and name HB1 )) 3.300 1.400 1.400 peak 128 spectrum 1 weight 0.10000E+01 volume 0.55604E-02 ppm1 8.712 ppm2 4.011 CV 1 ASSI { 129} (( segid "T22D" and resid 48 and name HN )) (( segid "T22D" and resid 47 and name HB2 )) 2.500 0.800 0.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.36510E-02 ppm1 8.710 ppm2 4.425 CV 1 ASSI { 130} (( segid "T22D" and resid 48 and name HN )) (( segid "T22D" and resid 48 and name HB1 )) 3.400 1.400 1.400 peak 130 spectrum 1 weight 0.10000E+01 volume 0.23942E-02 ppm1 8.713 ppm2 2.970 CV 1 ASSI { 131} (( segid "T22D" and resid 48 and name HN )) (( segid "T22D" and resid 48 and name HB2 )) 2.600 0.900 0.900 peak 131 spectrum 1 weight 0.10000E+01 volume 0.29057E-02 ppm1 8.712 ppm2 2.739 CV 1 ASSI { 132} (( segid "T22D" and resid 48 and name HN )) (( segid "T22D" and resid 49 and name HN )) 2.900 1.000 1.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.21263E-02 ppm1 8.711 ppm2 7.907 CV 1 ASSI { 133} (( segid "T22D" and resid 48 and name HN )) (( segid "T22D" and resid 66 and name HB )) 3.400 1.400 1.400 peak 133 spectrum 1 weight 0.10000E+01 volume 0.13116E-02 ppm1 8.713 ppm2 1.863 CV 1 ASSI { 134} (( segid "T22D" and resid 48 and name HN )) ( segid "T22D" and resid 66 and name HG2%) 2.900 1.100 1.100 peak 134 spectrum 1 weight 0.10000E+01 volume 0.21147E-02 ppm1 8.714 ppm2 0.578 CV 1 ASSI { 136} (( segid "T22D" and resid 49 and name HN )) (( segid "T22D" and resid 47 and name HB1 )) 4.100 2.100 1.900 peak 136 spectrum 1 weight 0.10000E+01 volume 0.14886E-02 ppm1 7.956 ppm2 4.006 CV 1 ASSI { 137} (( segid "T22D" and resid 49 and name HN )) (( segid "T22D" and resid 47 and name HB2 )) 3.000 1.100 1.100 peak 137 spectrum 1 weight 0.10000E+01 volume 0.12290E-02 ppm1 7.949 ppm2 4.430 CV 1 ASSI { 139} (( segid "T22D" and resid 49 and name HN )) (( segid "T22D" and resid 48 and name HB1 )) 3.900 1.900 1.900 peak 139 spectrum 1 weight 0.10000E+01 volume 0.14364E-02 ppm1 7.953 ppm2 2.985 CV 1 ASSI { 140} (( segid "T22D" and resid 49 and name HN )) (( segid "T22D" and resid 48 and name HB2 )) 2.600 0.900 0.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.28864E-02 ppm1 7.956 ppm2 2.733 CV 1 ASSI { 141} (( segid "T22D" and resid 49 and name HN )) (( segid "T22D" and resid 49 and name HA )) 2.700 0.900 0.900 peak 141 spectrum 1 weight 0.10000E+01 volume 0.34576E-02 ppm1 7.955 ppm2 4.138 CV 1 ASSI { 142} (( segid "T22D" and resid 49 and name HN )) (( segid "T22D" and resid 49 and name HB1 )) 2.600 0.800 0.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.57539E-02 ppm1 7.954 ppm2 1.822 CV 1 ASSI { 143} (( segid "T22D" and resid 49 and name HN )) (( segid "T22D" and resid 49 and name HB2 )) 2.300 0.700 0.700 peak 143 spectrum 1 weight 0.10000E+01 volume 0.59745E-02 ppm1 7.954 ppm2 1.898 CV 1 ASSI { 147} (( segid "T22D" and resid 50 and name HN )) (( segid "T22D" and resid 47 and name HB1 )) 4.400 2.400 1.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.63782E-03 ppm1 7.872 ppm2 3.977 CV 1 ASSI { 148} (( segid "T22D" and resid 50 and name HN )) (( segid "T22D" and resid 49 and name HB1 )) 2.600 0.900 0.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.30719E-02 ppm1 7.882 ppm2 1.808 CV 1 ASSI { 149} (( segid "T22D" and resid 50 and name HN )) (( segid "T22D" and resid 49 and name HB2 )) 3.400 1.500 1.500 peak 149 spectrum 1 weight 0.10000E+01 volume 0.12398E-02 ppm1 7.884 ppm2 1.893 CV 1 ASSI { 150} (( segid "T22D" and resid 50 and name HN )) (( segid "T22D" and resid 50 and name HA )) 2.600 0.800 0.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.41460E-02 ppm1 7.880 ppm2 4.146 CV 1 ASSI { 151} (( segid "T22D" and resid 50 and name HN )) (( segid "T22D" and resid 50 and name HB )) 2.600 0.800 0.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.32252E-02 ppm1 7.880 ppm2 4.463 CV 1 ASSI { 152} (( segid "T22D" and resid 50 and name HN )) ( segid "T22D" and resid 50 and name HG2%) 3.300 1.400 1.400 peak 152 spectrum 1 weight 0.10000E+01 volume 0.36742E-02 ppm1 7.878 ppm2 1.274 CV 1 ASSI { 153} (( segid "T22D" and resid 50 and name HN )) (( segid "T22D" and resid 51 and name HN )) 2.700 0.900 0.900 peak 153 spectrum 1 weight 0.10000E+01 volume 0.26019E-02 ppm1 7.882 ppm2 8.251 CV 1 ASSI { 154} (( segid "T22D" and resid 51 and name HN )) ( segid "T22D" and resid 51 and name HD1%) 4.000 2.000 2.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.12113E-02 ppm1 8.277 ppm2 0.537 CV 1 ASSI { 155} (( segid "T22D" and resid 51 and name HN )) (( segid "T22D" and resid 51 and name HG )) 3.100 1.200 1.200 peak 155 spectrum 1 weight 0.10000E+01 volume 0.96768E-03 ppm1 8.278 ppm2 1.493 CV 1 ASSI { 157} (( segid "T22D" and resid 51 and name HN )) ( segid "T22D" and resid 51 and name HD2%) 4.100 2.100 1.900 peak 157 spectrum 1 weight 0.10000E+01 volume 0.77368E-03 ppm1 8.269 ppm2 0.894 CV 1 ASSI { 158} (( segid "T22D" and resid 51 and name HN )) ( segid "T22D" and resid 46 and name HG2%) 3.500 1.600 1.600 peak 158 spectrum 1 weight 0.10000E+01 volume 0.13073E-02 ppm1 8.283 ppm2 1.122 CV 1 ASSI { 160} (( segid "T22D" and resid 51 and name HN )) (( segid "T22D" and resid 50 and name HB )) 2.900 1.000 1.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.15547E-02 ppm1 8.275 ppm2 4.471 CV 1 ASSI { 161} (( segid "T22D" and resid 51 and name HN )) (( segid "T22D" and resid 51 and name HA )) 2.700 0.900 0.900 peak 161 spectrum 1 weight 0.10000E+01 volume 0.25033E-02 ppm1 8.279 ppm2 4.126 CV 1 ASSI { 163} (( segid "T22D" and resid 51 and name HN )) (( segid "T22D" and resid 51 and name HB2 )) 2.400 0.700 0.700 peak 163 spectrum 1 weight 0.10000E+01 volume 0.36489E-02 ppm1 8.280 ppm2 1.322 CV 1 ASSI { 164} (( segid "T22D" and resid 51 and name HN )) (( segid "T22D" and resid 52 and name HN )) 2.700 0.900 0.900 peak 164 spectrum 1 weight 0.10000E+01 volume 0.24793E-02 ppm1 8.279 ppm2 8.522 CV 1 ASSI { 168} (( segid "T22D" and resid 52 and name HN )) (( segid "T22D" and resid 50 and name HN )) 4.100 2.100 1.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.51609E-03 ppm1 8.540 ppm2 7.867 CV 1 ASSI { 170} (( segid "T22D" and resid 52 and name HN )) (( segid "T22D" and resid 51 and name HA )) 3.000 1.100 1.100 peak 170 spectrum 1 weight 0.10000E+01 volume 0.21356E-02 ppm1 8.549 ppm2 4.132 CV 1 ASSI { 171} (( segid "T22D" and resid 52 and name HN )) (( segid "T22D" and resid 52 and name HA )) 2.600 0.800 0.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.33813E-02 ppm1 8.550 ppm2 3.736 CV 1 ASSI { 173} (( segid "T22D" and resid 52 and name HN )) ( segid "T22D" and resid 64 and name HB% ) 2.800 1.000 1.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.35209E-02 ppm1 8.551 ppm2 1.318 CV 1 ASSI { 176} (( segid "T22D" and resid 53 and name HN )) (( segid "T22D" and resid 49 and name HN )) 3.200 3.200 2.800 peak 176 spectrum 1 weight 0.10000E+01 volume 0.40986E-03 ppm1 8.535 ppm2 7.996 CV 1 ASSI { 177} (( segid "T22D" and resid 53 and name HN )) (( segid "T22D" and resid 55 and name HB1 )) 4.700 2.800 1.300 peak 177 spectrum 1 weight 0.10000E+01 volume 0.49270E-03 ppm1 8.537 ppm2 2.841 CV 1 ASSI { 179} (( segid "T22D" and resid 53 and name HN )) (( segid "T22D" and resid 56 and name HG1 )) 4.900 3.000 1.100 peak 179 spectrum 1 weight 0.10000E+01 volume 0.43811E-03 ppm1 8.537 ppm2 2.424 CV 1 ASSI { 181} (( segid "T22D" and resid 53 and name HN )) (( segid "T22D" and resid 52 and name HA )) 3.300 1.400 1.400 peak 181 spectrum 1 weight 0.10000E+01 volume 0.12438E-02 ppm1 8.537 ppm2 3.739 CV 1 ASSI { 183} (( segid "T22D" and resid 53 and name HN )) (( segid "T22D" and resid 53 and name HB1 )) 3.000 1.100 1.100 peak 183 spectrum 1 weight 0.10000E+01 volume 0.45813E-02 ppm1 8.536 ppm2 2.068 CV 1 ASSI { 184} (( segid "T22D" and resid 53 and name HN )) (( segid "T22D" and resid 53 and name HB2 )) 2.200 0.600 0.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.77719E-02 ppm1 8.535 ppm2 2.265 CV 1 ASSI { 185} (( segid "T22D" and resid 53 and name HN )) (( segid "T22D" and resid 53 and name HG2 )) 2.300 0.700 0.700 peak 185 spectrum 1 weight 0.10000E+01 volume 0.50851E-02 ppm1 8.534 ppm2 2.627 CV 1 ASSI { 186} (( segid "T22D" and resid 53 and name HN )) (( segid "T22D" and resid 54 and name HN )) 2.700 0.900 0.900 peak 186 spectrum 1 weight 0.10000E+01 volume 0.28179E-02 ppm1 8.534 ppm2 7.796 CV 1 ASSI { 188} (( segid "T22D" and resid 54 and name HN )) (( segid "T22D" and resid 53 and name HB1 )) 3.300 1.300 1.300 peak 188 spectrum 1 weight 0.10000E+01 volume 0.22090E-02 ppm1 7.817 ppm2 2.066 CV 1 ASSI { 189} (( segid "T22D" and resid 54 and name HN )) (( segid "T22D" and resid 53 and name HB2 )) 2.700 0.900 0.900 peak 189 spectrum 1 weight 0.10000E+01 volume 0.25205E-02 ppm1 7.816 ppm2 2.265 CV 1 ASSI { 190} (( segid "T22D" and resid 54 and name HN )) (( segid "T22D" and resid 53 and name HG2 )) 4.400 2.500 1.600 peak 190 spectrum 1 weight 0.10000E+01 volume 0.37067E-03 ppm1 7.819 ppm2 2.656 CV 1 ASSI { 191} (( segid "T22D" and resid 54 and name HN )) (( segid "T22D" and resid 54 and name HA )) 2.600 0.800 0.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.51226E-02 ppm1 7.817 ppm2 4.098 CV 1 ASSI { 192} (( segid "T22D" and resid 54 and name HN )) (( segid "T22D" and resid 54 and name HB1 )) 2.600 0.800 0.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.43728E-02 ppm1 7.818 ppm2 2.878 CV 1 ASSI { 193} (( segid "T22D" and resid 54 and name HN )) (( segid "T22D" and resid 54 and name HB2 )) 2.500 0.800 0.800 peak 193 spectrum 1 weight 0.10000E+01 volume 0.46614E-02 ppm1 7.818 ppm2 3.207 CV 1 ASSI { 194} (( segid "T22D" and resid 54 and name HN )) ( segid "T22D" and resid 54 and name HD% ) 4.400 2.500 1.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.85041E-03 ppm1 7.817 ppm2 6.328 CV 1 ASSI { 195} (( segid "T22D" and resid 55 and name HN )) (( segid "T22D" and resid 52 and name HA )) 3.900 1.900 1.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.46422E-03 ppm1 7.814 ppm2 3.755 CV 1 ASSI { 196} (( segid "T22D" and resid 55 and name HN )) (( segid "T22D" and resid 54 and name HA )) 3.400 1.400 1.400 peak 196 spectrum 1 weight 0.10000E+01 volume 0.12400E-02 ppm1 7.808 ppm2 4.095 CV 1 ASSI { 197} (( segid "T22D" and resid 55 and name HN )) ( segid "T22D" and resid 54 and name HD% ) 3.800 1.800 1.800 peak 197 spectrum 1 weight 0.10000E+01 volume 0.55796E-03 ppm1 7.823 ppm2 6.344 CV 1 ASSI { 198} (( segid "T22D" and resid 55 and name HN )) (( segid "T22D" and resid 55 and name HA )) 3.100 1.200 1.200 peak 198 spectrum 1 weight 0.10000E+01 volume 0.10231E-02 ppm1 7.817 ppm2 4.297 CV 1 ASSI { 199} (( segid "T22D" and resid 55 and name HN )) (( segid "T22D" and resid 55 and name HB1 )) 3.000 1.100 1.100 peak 199 spectrum 1 weight 0.10000E+01 volume 0.62681E-02 ppm1 7.815 ppm2 2.871 CV 1 ASSI { 200} (( segid "T22D" and resid 55 and name HN )) (( segid "T22D" and resid 55 and name HB2 )) 2.300 2.300 3.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.37700E-02 ppm1 7.815 ppm2 3.218 CV 1 ASSI { 204} (( segid "T22D" and resid 55 and name HN )) ( segid "T22D" and resid 61 and name HD1%) 3.700 1.700 1.700 peak 204 spectrum 1 weight 0.10000E+01 volume 0.12395E-02 ppm1 7.816 ppm2 0.302 CV 1 ASSI { 205} (( segid "T22D" and resid 55 and name HN )) ( segid "T22D" and resid 81 and name HG1%) 5.400 3.600 0.600 peak 205 spectrum 1 weight 0.10000E+01 volume 0.53044E-03 ppm1 7.812 ppm2 0.520 CV 1 ASSI { 209} (( segid "T22D" and resid 56 and name HN )) (( segid "T22D" and resid 55 and name HN )) 2.400 0.700 0.700 peak 209 spectrum 1 weight 0.10000E+01 volume 0.38153E-02 ppm1 8.430 ppm2 7.786 CV 1 ASSI { 210} (( segid "T22D" and resid 56 and name HN )) (( segid "T22D" and resid 55 and name HB1 )) 3.300 1.400 1.400 peak 210 spectrum 1 weight 0.10000E+01 volume 0.18105E-02 ppm1 8.428 ppm2 2.837 CV 1 ASSI { 211} (( segid "T22D" and resid 56 and name HN )) (( segid "T22D" and resid 55 and name HB2 )) 3.800 1.800 1.800 peak 211 spectrum 1 weight 0.10000E+01 volume 0.34123E-03 ppm1 8.432 ppm2 3.225 CV 1 ASSI { 212} (( segid "T22D" and resid 56 and name HN )) (( segid "T22D" and resid 56 and name HA )) 2.600 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.34509E-02 ppm1 8.429 ppm2 4.428 CV 1 ASSI { 213} (( segid "T22D" and resid 56 and name HN )) (( segid "T22D" and resid 56 and name HB1 )) 2.500 0.800 0.800 peak 213 spectrum 1 weight 0.10000E+01 volume 0.34724E-02 ppm1 8.430 ppm2 2.077 CV 1 ASSI { 214} (( segid "T22D" and resid 56 and name HN )) (( segid "T22D" and resid 56 and name HB2 )) 3.200 1.300 1.300 peak 214 spectrum 1 weight 0.10000E+01 volume 0.32720E-02 ppm1 8.430 ppm2 2.135 CV 1 ASSI { 216} (( segid "T22D" and resid 56 and name HN )) (( segid "T22D" and resid 56 and name HG2 )) 2.700 0.900 0.900 peak 216 spectrum 1 weight 0.10000E+01 volume 0.24962E-02 ppm1 8.426 ppm2 2.595 CV 1 ASSI { 217} (( segid "T22D" and resid 56 and name HN )) (( segid "T22D" and resid 57 and name HN )) 2.900 1.000 1.000 peak 217 spectrum 1 weight 0.10000E+01 volume 0.16152E-02 ppm1 8.435 ppm2 6.683 CV 1 ASSI { 218} (( segid "T22D" and resid 56 and name HN )) ( segid "T22D" and resid 61 and name HD1%) 2.600 0.900 0.900 peak 218 spectrum 1 weight 0.10000E+01 volume 0.26426E-02 ppm1 8.430 ppm2 0.317 CV 1 ASSI { 220} (( segid "T22D" and resid 57 and name HN )) (( segid "T22D" and resid 55 and name HA )) 3.300 1.300 1.300 peak 220 spectrum 1 weight 0.10000E+01 volume 0.96163E-03 ppm1 6.710 ppm2 4.270 CV 1 ASSI { 222} (( segid "T22D" and resid 57 and name HN )) (( segid "T22D" and resid 56 and name HB1 )) 3.900 1.900 1.900 peak 222 spectrum 1 weight 0.10000E+01 volume 0.78273E-03 ppm1 6.706 ppm2 2.120 CV 1 ASSI { 224} (( segid "T22D" and resid 57 and name HN )) (( segid "T22D" and resid 57 and name HA )) 2.700 0.900 0.900 peak 224 spectrum 1 weight 0.10000E+01 volume 0.32803E-02 ppm1 6.705 ppm2 4.069 CV 1 ASSI { 226} (( segid "T22D" and resid 57 and name HN )) (( segid "T22D" and resid 58 and name HN )) 2.800 1.000 1.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.19942E-02 ppm1 6.710 ppm2 7.620 CV 1 ASSI { 228} (( segid "T22D" and resid 57 and name HE21)) (( segid "T22D" and resid 57 and name HA )) 3.800 1.800 1.800 peak 228 spectrum 1 weight 0.10000E+01 volume 0.76071E-03 ppm1 6.766 ppm2 4.078 CV 1 ASSI { 229} (( segid "T22D" and resid 57 and name HE22)) (( segid "T22D" and resid 57 and name HE21)) 2.100 0.500 0.500 peak 229 spectrum 1 weight 0.10000E+01 volume 0.71926E-02 ppm1 6.062 ppm2 6.734 CV 1 ASSI { 231} (( segid "T22D" and resid 57 and name HE21)) (( segid "T22D" and resid 57 and name HG1 )) 2.800 1.000 1.000 peak 231 spectrum 1 weight 0.10000E+01 volume 0.20425E-02 ppm1 6.763 ppm2 1.504 CV 1 ASSI { 232} (( segid "T22D" and resid 57 and name HE22)) (( segid "T22D" and resid 57 and name HG1 )) 4.000 2.000 2.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.10373E-02 ppm1 6.064 ppm2 1.502 CV 1 ASSI { 236} (( segid "T22D" and resid 58 and name HN )) (( segid "T22D" and resid 56 and name HA )) 3.700 1.700 1.700 peak 236 spectrum 1 weight 0.10000E+01 volume 0.56822E-03 ppm1 7.646 ppm2 4.441 CV 1 ASSI { 239} (( segid "T22D" and resid 58 and name HN )) (( segid "T22D" and resid 57 and name HA )) 3.800 1.800 1.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.49424E-03 ppm1 7.640 ppm2 4.047 CV 1 ASSI { 241} (( segid "T22D" and resid 58 and name HN )) (( segid "T22D" and resid 58 and name HA )) 3.100 1.200 1.200 peak 241 spectrum 1 weight 0.10000E+01 volume 0.14357E-02 ppm1 7.647 ppm2 4.701 CV 1 ASSI { 242} (( segid "T22D" and resid 58 and name HN )) (( segid "T22D" and resid 58 and name HB1 )) 3.400 1.500 1.500 peak 242 spectrum 1 weight 0.10000E+01 volume 0.26287E-02 ppm1 7.645 ppm2 2.875 CV 1 ASSI { 243} (( segid "T22D" and resid 58 and name HN )) (( segid "T22D" and resid 58 and name HB2 )) 3.000 1.100 1.100 peak 243 spectrum 1 weight 0.10000E+01 volume 0.11706E-02 ppm1 7.636 ppm2 3.646 CV 1 ASSI { 244} (( segid "T22D" and resid 58 and name HN )) (( segid "T22D" and resid 59 and name HN )) 2.300 0.700 0.700 peak 244 spectrum 1 weight 0.10000E+01 volume 0.60175E-02 ppm1 7.644 ppm2 7.317 CV 1 ASSI { 245} (( segid "T22D" and resid 58 and name HN )) ( segid "T22D" and resid 83 and name HE% ) 3.500 1.500 1.500 peak 245 spectrum 1 weight 0.10000E+01 volume 0.12007E-02 ppm1 7.643 ppm2 1.918 CV 1 ASSI { 246} (( segid "T22D" and resid 59 and name HN )) (( segid "T22D" and resid 56 and name HA )) 3.000 1.100 1.100 peak 246 spectrum 1 weight 0.10000E+01 volume 0.13842E-02 ppm1 7.325 ppm2 4.440 CV 1 ASSI { 247} (( segid "T22D" and resid 59 and name HN )) (( segid "T22D" and resid 57 and name HA )) 3.800 1.800 1.800 peak 247 spectrum 1 weight 0.10000E+01 volume 0.62114E-03 ppm1 7.325 ppm2 4.043 CV 1 ASSI { 249} (( segid "T22D" and resid 59 and name HN )) (( segid "T22D" and resid 58 and name HA )) 3.600 1.600 1.600 peak 249 spectrum 1 weight 0.10000E+01 volume 0.86747E-03 ppm1 7.324 ppm2 4.697 CV 1 ASSI { 250} (( segid "T22D" and resid 59 and name HN )) (( segid "T22D" and resid 58 and name HB1 )) 4.100 2.100 1.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.94637E-03 ppm1 7.326 ppm2 2.873 CV 1 ASSI { 251} (( segid "T22D" and resid 59 and name HN )) (( segid "T22D" and resid 58 and name HB2 )) 3.400 1.400 1.400 peak 251 spectrum 1 weight 0.10000E+01 volume 0.85796E-03 ppm1 7.325 ppm2 3.631 CV 1 ASSI { 252} (( segid "T22D" and resid 59 and name HN )) (( segid "T22D" and resid 59 and name HA1 )) 3.000 1.100 1.100 peak 252 spectrum 1 weight 0.10000E+01 volume 0.17394E-02 ppm1 7.327 ppm2 4.551 CV 1 ASSI { 253} (( segid "T22D" and resid 59 and name HN )) (( segid "T22D" and resid 59 and name HA2 )) 2.600 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.40735E-02 ppm1 7.325 ppm2 3.836 CV 1 ASSI { 254} (( segid "T22D" and resid 59 and name HN )) (( segid "T22D" and resid 60 and name HN )) 4.100 2.100 1.900 peak 254 spectrum 1 weight 0.10000E+01 volume 0.70116E-03 ppm1 7.323 ppm2 8.190 CV 1 ASSI { 255} (( segid "T22D" and resid 59 and name HN )) ( segid "T22D" and resid 83 and name HE% ) 3.000 1.200 1.200 peak 255 spectrum 1 weight 0.10000E+01 volume 0.16809E-02 ppm1 7.329 ppm2 1.908 CV 1 ASSI { 260} (( segid "T22D" and resid 60 and name HN )) (( segid "T22D" and resid 88 and name HA )) 5.000 3.100 1.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.40487E-03 ppm1 8.210 ppm2 4.345 CV 1 ASSI { 263} (( segid "T22D" and resid 60 and name HN )) (( segid "T22D" and resid 59 and name HA1 )) 2.300 0.600 0.600 peak 263 spectrum 1 weight 0.10000E+01 volume 0.72310E-02 ppm1 8.211 ppm2 4.551 CV 1 ASSI { 264} (( segid "T22D" and resid 60 and name HN )) (( segid "T22D" and resid 59 and name HA2 )) 2.500 0.800 0.800 peak 264 spectrum 1 weight 0.10000E+01 volume 0.70342E-02 ppm1 8.211 ppm2 3.837 CV 1 ASSI { 265} (( segid "T22D" and resid 60 and name HN )) (( segid "T22D" and resid 60 and name HA )) 2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.50212E-02 ppm1 8.211 ppm2 4.721 CV 1 ASSI { 266} (( segid "T22D" and resid 60 and name HN )) (( segid "T22D" and resid 60 and name HB2 )) 2.200 0.600 0.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.10667E-01 ppm1 8.210 ppm2 2.535 CV 1 OR { 266} (( segid "T22D" and resid 60 and name HN )) (( segid "T22D" and resid 60 and name HB1 )) ASSI { 267} (( segid "T22D" and resid 60 and name HN )) (( segid "T22D" and resid 61 and name HN )) 4.700 2.700 1.300 peak 267 spectrum 1 weight 0.10000E+01 volume 0.46138E-03 ppm1 8.211 ppm2 8.780 CV 1 ASSI { 268} (( segid "T22D" and resid 60 and name HN )) (( segid "T22D" and resid 84 and name HB1 )) 3.600 1.600 1.600 peak 268 spectrum 1 weight 0.10000E+01 volume 0.15610E-02 ppm1 8.209 ppm2 1.706 CV 1 ASSI { 269} (( segid "T22D" and resid 60 and name HN )) (( segid "T22D" and resid 84 and name HB2 )) 3.700 1.700 1.700 peak 269 spectrum 1 weight 0.10000E+01 volume 0.18916E-02 ppm1 8.212 ppm2 1.900 CV 1 ASSI { 270} (( segid "T22D" and resid 61 and name HN )) (( segid "T22D" and resid 61 and name HG12)) 4.000 2.000 2.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.11172E-02 ppm1 8.810 ppm2 0.922 CV 1 ASSI { 272} (( segid "T22D" and resid 61 and name HN )) ( segid "T22D" and resid 64 and name HB% ) 4.900 3.000 1.100 peak 272 spectrum 1 weight 0.10000E+01 volume 0.64971E-03 ppm1 8.812 ppm2 1.320 CV 1 ASSI { 274} (( segid "T22D" and resid 61 and name HN )) (( segid "T22D" and resid 60 and name HA )) 2.100 0.600 0.600 peak 274 spectrum 1 weight 0.10000E+01 volume 0.11766E-01 ppm1 8.810 ppm2 4.712 CV 1 ASSI { 275} (( segid "T22D" and resid 61 and name HN )) (( segid "T22D" and resid 60 and name HB1 )) 3.200 1.300 1.300 peak 275 spectrum 1 weight 0.10000E+01 volume 0.24012E-02 ppm1 8.807 ppm2 2.576 CV 1 OR { 275} (( segid "T22D" and resid 61 and name HN )) (( segid "T22D" and resid 60 and name HB2 )) ASSI { 276} (( segid "T22D" and resid 61 and name HN )) (( segid "T22D" and resid 61 and name HA )) 2.900 1.100 1.100 peak 276 spectrum 1 weight 0.10000E+01 volume 0.14475E-02 ppm1 8.809 ppm2 4.095 CV 1 ASSI { 277} (( segid "T22D" and resid 61 and name HN )) (( segid "T22D" and resid 61 and name HB )) 2.200 0.600 0.600 peak 277 spectrum 1 weight 0.10000E+01 volume 0.85229E-02 ppm1 8.809 ppm2 1.505 CV 1 ASSI { 278} (( segid "T22D" and resid 61 and name HN )) ( segid "T22D" and resid 61 and name HD1%) 4.000 2.000 2.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.10610E-02 ppm1 8.811 ppm2 0.316 CV 1 ASSI { 279} (( segid "T22D" and resid 61 and name HN )) ( segid "T22D" and resid 61 and name HG2%) 3.900 1.900 1.900 peak 279 spectrum 1 weight 0.10000E+01 volume 0.11517E-02 ppm1 8.807 ppm2 0.586 CV 1 ASSI { 280} (( segid "T22D" and resid 61 and name HN )) (( segid "T22D" and resid 62 and name HN )) 4.500 2.500 1.500 peak 280 spectrum 1 weight 0.10000E+01 volume 0.43102E-03 ppm1 8.812 ppm2 9.134 CV 1 ASSI { 281} (( segid "T22D" and resid 61 and name HN )) (( segid "T22D" and resid 84 and name HB1 )) 4.100 2.100 1.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.11570E-02 ppm1 8.803 ppm2 1.697 CV 1 ASSI { 282} (( segid "T22D" and resid 61 and name HN )) (( segid "T22D" and resid 84 and name HB2 )) 4.000 2.000 2.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.42177E-03 ppm1 8.818 ppm2 1.874 CV 1 ASSI { 283} (( segid "T22D" and resid 62 and name HN )) (( segid "T22D" and resid 84 and name HN )) 3.500 1.500 1.500 peak 283 spectrum 1 weight 0.10000E+01 volume 0.85746E-03 ppm1 9.154 ppm2 8.314 CV 1 ASSI { 284} (( segid "T22D" and resid 62 and name HN )) ( segid "T22D" and resid 82 and name HG2%) 4.000 2.000 2.000 peak 284 spectrum 1 weight 0.10000E+01 volume 0.65012E-03 ppm1 9.157 ppm2 1.138 CV 1 ASSI { 285} (( segid "T22D" and resid 62 and name HN )) ( segid "T22D" and resid 64 and name HB% ) 5.000 3.200 1.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.68240E-03 ppm1 9.157 ppm2 1.317 CV 1 ASSI { 286} (( segid "T22D" and resid 62 and name HN )) (( segid "T22D" and resid 82 and name HB )) 3.800 1.800 1.800 peak 286 spectrum 1 weight 0.10000E+01 volume 0.71017E-03 ppm1 9.159 ppm2 3.911 CV 1 ASSI { 290} (( segid "T22D" and resid 62 and name HN )) (( segid "T22D" and resid 61 and name HA )) 2.100 0.500 0.500 peak 290 spectrum 1 weight 0.10000E+01 volume 0.78186E-02 ppm1 9.155 ppm2 4.100 CV 1 ASSI { 291} (( segid "T22D" and resid 62 and name HN )) (( segid "T22D" and resid 61 and name HG11)) 4.600 2.700 1.400 peak 291 spectrum 1 weight 0.10000E+01 volume 0.66205E-03 ppm1 9.155 ppm2 1.499 CV 1 ASSI { 292} (( segid "T22D" and resid 62 and name HN )) (( segid "T22D" and resid 61 and name HG12)) 4.100 2.100 1.900 peak 292 spectrum 1 weight 0.10000E+01 volume 0.69324E-03 ppm1 9.157 ppm2 0.943 CV 1 ASSI { 293} (( segid "T22D" and resid 62 and name HN )) ( segid "T22D" and resid 61 and name HG2%) 2.700 0.900 0.900 peak 293 spectrum 1 weight 0.10000E+01 volume 0.29448E-02 ppm1 9.156 ppm2 0.598 CV 1 ASSI { 294} (( segid "T22D" and resid 62 and name HN )) (( segid "T22D" and resid 62 and name HA )) 2.800 1.000 1.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.21147E-02 ppm1 9.151 ppm2 4.400 CV 1 ASSI { 295} (( segid "T22D" and resid 62 and name HN )) (( segid "T22D" and resid 62 and name HB1 )) 2.700 0.900 0.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.32675E-02 ppm1 9.157 ppm2 1.722 CV 1 ASSI { 296} (( segid "T22D" and resid 62 and name HN )) (( segid "T22D" and resid 62 and name HB2 )) 2.600 0.900 0.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.17683E-02 ppm1 9.158 ppm2 1.823 CV 1 ASSI { 297} (( segid "T22D" and resid 62 and name HN )) (( segid "T22D" and resid 62 and name HG1 )) 4.200 2.200 1.800 peak 297 spectrum 1 weight 0.10000E+01 volume 0.10520E-02 ppm1 9.156 ppm2 2.094 CV 1 OR { 297} (( segid "T22D" and resid 62 and name HN )) (( segid "T22D" and resid 62 and name HG2 )) ASSI { 299} (( segid "T22D" and resid 62 and name HN )) (( segid "T22D" and resid 83 and name HA )) 2.700 0.900 0.900 peak 299 spectrum 1 weight 0.10000E+01 volume 0.20528E-02 ppm1 9.158 ppm2 5.063 CV 1 ASSI { 302} (( segid "T22D" and resid 63 and name HN )) (( segid "T22D" and resid 61 and name HA )) 4.000 2.000 2.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.11075E-02 ppm1 7.603 ppm2 4.097 CV 1 ASSI { 303} (( segid "T22D" and resid 63 and name HN )) ( segid "T22D" and resid 61 and name HG2%) 2.300 0.700 0.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.49428E-02 ppm1 7.600 ppm2 0.597 CV 1 ASSI { 304} (( segid "T22D" and resid 63 and name HN )) (( segid "T22D" and resid 62 and name HN )) 2.300 0.600 0.600 peak 304 spectrum 1 weight 0.10000E+01 volume 0.49866E-02 ppm1 7.601 ppm2 9.124 CV 1 ASSI { 305} (( segid "T22D" and resid 63 and name HN )) (( segid "T22D" and resid 62 and name HA )) 3.600 1.600 1.600 peak 305 spectrum 1 weight 0.10000E+01 volume 0.84954E-03 ppm1 7.602 ppm2 4.416 CV 1 ASSI { 306} (( segid "T22D" and resid 63 and name HN )) (( segid "T22D" and resid 62 and name HB1 )) 2.900 1.000 1.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.13559E-02 ppm1 7.603 ppm2 1.701 CV 1 ASSI { 307} (( segid "T22D" and resid 63 and name HN )) (( segid "T22D" and resid 62 and name HB2 )) 3.400 1.400 1.400 peak 307 spectrum 1 weight 0.10000E+01 volume 0.25746E-02 ppm1 7.603 ppm2 1.784 CV 1 ASSI { 308} (( segid "T22D" and resid 63 and name HN )) (( segid "T22D" and resid 62 and name HG1 )) 3.800 1.800 1.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.17231E-02 ppm1 7.600 ppm2 2.100 CV 1 OR { 308} (( segid "T22D" and resid 63 and name HN )) (( segid "T22D" and resid 62 and name HG2 )) ASSI { 309} (( segid "T22D" and resid 63 and name HN )) (( segid "T22D" and resid 63 and name HA )) 3.000 1.100 1.100 peak 309 spectrum 1 weight 0.10000E+01 volume 0.13850E-02 ppm1 7.600 ppm2 4.534 CV 1 ASSI { 311} (( segid "T22D" and resid 63 and name HN )) (( segid "T22D" and resid 64 and name HN )) 3.900 1.900 1.900 peak 311 spectrum 1 weight 0.10000E+01 volume 0.87306E-03 ppm1 7.602 ppm2 8.911 CV 1 ASSI { 312} (( segid "T22D" and resid 63 and name HN )) (( segid "T22D" and resid 82 and name HN )) 2.900 1.000 1.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.19125E-02 ppm1 7.599 ppm2 9.535 CV 1 ASSI { 313} (( segid "T22D" and resid 63 and name HN )) (( segid "T22D" and resid 82 and name HB )) 2.700 0.900 0.900 peak 313 spectrum 1 weight 0.10000E+01 volume 0.23579E-02 ppm1 7.600 ppm2 3.903 CV 1 ASSI { 314} (( segid "T22D" and resid 63 and name HN )) ( segid "T22D" and resid 82 and name HG2%) 4.100 2.100 1.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.98870E-03 ppm1 7.602 ppm2 1.145 CV 1 ASSI { 316} (( segid "T22D" and resid 64 and name HN )) (( segid "T22D" and resid 52 and name HN )) 4.500 2.500 1.500 peak 316 spectrum 1 weight 0.10000E+01 volume 0.48144E-03 ppm1 8.912 ppm2 8.577 CV 1 ASSI { 317} (( segid "T22D" and resid 64 and name HN )) ( segid "T22D" and resid 61 and name HG2%) 3.500 1.600 1.600 peak 317 spectrum 1 weight 0.10000E+01 volume 0.10290E-02 ppm1 8.914 ppm2 0.589 CV 1 ASSI { 318} (( segid "T22D" and resid 64 and name HN )) (( segid "T22D" and resid 63 and name HA )) 2.200 0.600 0.600 peak 318 spectrum 1 weight 0.10000E+01 volume 0.90116E-02 ppm1 8.914 ppm2 4.515 CV 1 ASSI { 319} (( segid "T22D" and resid 64 and name HN )) (( segid "T22D" and resid 63 and name HB1 )) 3.400 1.400 1.400 peak 319 spectrum 1 weight 0.10000E+01 volume 0.26322E-02 ppm1 8.913 ppm2 1.979 CV 1 ASSI { 320} (( segid "T22D" and resid 64 and name HN )) (( segid "T22D" and resid 63 and name HB2 )) 4.500 2.600 1.500 peak 320 spectrum 1 weight 0.10000E+01 volume 0.66063E-03 ppm1 8.916 ppm2 2.117 CV 1 ASSI { 322} (( segid "T22D" and resid 64 and name HN )) (( segid "T22D" and resid 63 and name HG2 )) 3.600 1.600 1.600 peak 322 spectrum 1 weight 0.10000E+01 volume 0.15827E-02 ppm1 8.913 ppm2 2.336 CV 1 ASSI { 323} (( segid "T22D" and resid 64 and name HN )) (( segid "T22D" and resid 64 and name HA )) 2.900 1.100 1.100 peak 323 spectrum 1 weight 0.10000E+01 volume 0.17722E-02 ppm1 8.913 ppm2 5.235 CV 1 ASSI { 324} (( segid "T22D" and resid 64 and name HN )) ( segid "T22D" and resid 64 and name HB% ) 2.600 0.900 0.900 peak 324 spectrum 1 weight 0.10000E+01 volume 0.34678E-02 ppm1 8.915 ppm2 1.317 CV 1 ASSI { 325} (( segid "T22D" and resid 64 and name HN )) ( segid "T22D" and resid 65 and name HG1%) 3.700 1.700 1.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.68198E-03 ppm1 8.911 ppm2 0.935 CV 1 OR { 325} (( segid "T22D" and resid 64 and name HN )) ( segid "T22D" and resid 65 and name HG2%) ASSI { 333} (( segid "T22D" and resid 65 and name HN )) (( segid "T22D" and resid 64 and name HA )) 2.200 0.600 0.600 peak 333 spectrum 1 weight 0.10000E+01 volume 0.86730E-02 ppm1 8.921 ppm2 5.240 CV 1 ASSI { 334} (( segid "T22D" and resid 65 and name HN )) ( segid "T22D" and resid 64 and name HB% ) 3.300 1.400 1.400 peak 334 spectrum 1 weight 0.10000E+01 volume 0.22818E-02 ppm1 8.920 ppm2 1.313 CV 1 ASSI { 335} (( segid "T22D" and resid 65 and name HN )) (( segid "T22D" and resid 65 and name HA )) 2.600 0.800 0.800 peak 335 spectrum 1 weight 0.10000E+01 volume 0.33778E-02 ppm1 8.919 ppm2 4.755 CV 1 ASSI { 336} (( segid "T22D" and resid 65 and name HN )) (( segid "T22D" and resid 65 and name HB )) 3.600 1.700 1.700 peak 336 spectrum 1 weight 0.10000E+01 volume 0.12268E-02 ppm1 8.923 ppm2 1.935 CV 1 ASSI { 337} (( segid "T22D" and resid 65 and name HN )) ( segid "T22D" and resid 65 and name HG2%) 2.400 0.700 0.700 peak 337 spectrum 1 weight 0.10000E+01 volume 0.61226E-02 ppm1 8.920 ppm2 0.923 CV 1 ASSI { 338} (( segid "T22D" and resid 65 and name HN )) (( segid "T22D" and resid 66 and name HA )) 4.000 2.000 2.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.41527E-03 ppm1 8.918 ppm2 3.770 CV 1 ASSI { 339} (( segid "T22D" and resid 65 and name HN )) ( segid "T22D" and resid 81 and name HG2%) 3.700 1.700 1.700 peak 339 spectrum 1 weight 0.10000E+01 volume 0.10057E-02 ppm1 8.925 ppm2 0.263 CV 1 ASSI { 340} (( segid "T22D" and resid 83 and name HN )) (( segid "T22D" and resid 83 and name HB2 )) 2.500 0.800 0.800 peak 340 spectrum 1 weight 0.10000E+01 volume 0.22911E-02 ppm1 8.449 ppm2 1.988 CV 1 ASSI { 341} (( segid "T22D" and resid 66 and name HN )) (( segid "T22D" and resid 65 and name HA )) 2.000 0.500 0.500 peak 341 spectrum 1 weight 0.10000E+01 volume 0.13024E-01 ppm1 8.447 ppm2 4.736 CV 1 ASSI { 342} (( segid "T22D" and resid 66 and name HN )) ( segid "T22D" and resid 65 and name HG2%) 3.100 1.200 1.200 peak 342 spectrum 1 weight 0.10000E+01 volume 0.44816E-02 ppm1 8.448 ppm2 0.923 CV 1 OR { 342} (( segid "T22D" and resid 66 and name HN )) ( segid "T22D" and resid 65 and name HG1%) ASSI { 343} (( segid "T22D" and resid 66 and name HN )) (( segid "T22D" and resid 66 and name HA )) 3.000 1.100 1.100 peak 343 spectrum 1 weight 0.10000E+01 volume 0.14653E-02 ppm1 8.453 ppm2 3.747 CV 1 ASSI { 344} (( segid "T22D" and resid 66 and name HN )) (( segid "T22D" and resid 66 and name HB )) 2.300 0.700 0.700 peak 344 spectrum 1 weight 0.10000E+01 volume 0.67719E-02 ppm1 8.448 ppm2 1.854 CV 1 ASSI { 345} (( segid "T22D" and resid 66 and name HN )) ( segid "T22D" and resid 66 and name HG1%) 3.700 1.700 1.700 peak 345 spectrum 1 weight 0.10000E+01 volume 0.21681E-02 ppm1 8.449 ppm2 0.729 CV 1 ASSI { 346} (( segid "T22D" and resid 66 and name HN )) ( segid "T22D" and resid 66 and name HG2%) 2.500 0.800 0.800 peak 346 spectrum 1 weight 0.10000E+01 volume 0.40183E-02 ppm1 8.448 ppm2 0.566 CV 1 ASSI { 347} (( segid "T22D" and resid 67 and name HN )) (( segid "T22D" and resid 67 and name HA )) 2.800 1.000 1.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.17168E-02 ppm1 8.346 ppm2 4.084 CV 1 ASSI { 348} (( segid "T22D" and resid 67 and name HN )) (( segid "T22D" and resid 79 and name HA2 )) 2.500 0.800 0.800 peak 348 spectrum 1 weight 0.10000E+01 volume 0.21958E-02 ppm1 8.344 ppm2 3.937 CV 1 ASSI { 350} (( segid "T22D" and resid 67 and name HN )) (( segid "T22D" and resid 67 and name HG12)) 2.900 1.000 1.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.15830E-02 ppm1 8.346 ppm2 1.141 CV 1 ASSI { 353} (( segid "T22D" and resid 67 and name HN )) ( segid "T22D" and resid 51 and name HD1%) 4.300 2.300 1.700 peak 353 spectrum 1 weight 0.10000E+01 volume 0.73569E-03 ppm1 8.332 ppm2 0.540 CV 1 ASSI { 356} (( segid "T22D" and resid 67 and name HN )) (( segid "T22D" and resid 66 and name HA )) 2.200 0.600 0.600 peak 356 spectrum 1 weight 0.10000E+01 volume 0.59428E-02 ppm1 8.345 ppm2 3.758 CV 1 ASSI { 358} (( segid "T22D" and resid 68 and name HN )) ( segid "T22D" and resid 67 and name HG2%) 2.600 0.800 0.800 peak 358 spectrum 1 weight 0.10000E+01 volume 0.42452E-02 ppm1 7.928 ppm2 0.883 CV 1 ASSI { 359} (( segid "T22D" and resid 68 and name HN )) ( segid "T22D" and resid 67 and name HD1%) 3.600 1.700 1.700 peak 359 spectrum 1 weight 0.10000E+01 volume 0.28553E-02 ppm1 7.928 ppm2 0.787 CV 1 ASSI { 360} (( segid "T22D" and resid 68 and name HN )) (( segid "T22D" and resid 76 and name HN )) 4.400 2.400 1.600 peak 360 spectrum 1 weight 0.10000E+01 volume 0.39863E-03 ppm1 7.922 ppm2 9.093 CV 1 ASSI { 363} (( segid "T22D" and resid 68 and name HN )) (( segid "T22D" and resid 76 and name HB1 )) 5.100 3.200 0.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.37969E-03 ppm1 7.924 ppm2 1.329 CV 1 ASSI { 364} (( segid "T22D" and resid 68 and name HN )) (( segid "T22D" and resid 67 and name HA )) 2.000 0.500 0.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.12199E-01 ppm1 7.927 ppm2 4.084 CV 1 ASSI { 365} (( segid "T22D" and resid 68 and name HN )) (( segid "T22D" and resid 68 and name HB )) 3.400 1.400 1.400 peak 365 spectrum 1 weight 0.10000E+01 volume 0.14179E-02 ppm1 7.928 ppm2 3.690 CV 1 ASSI { 367} (( segid "T22D" and resid 69 and name HN )) (( segid "T22D" and resid 76 and name HG1 )) 3.600 1.600 1.600 peak 367 spectrum 1 weight 0.10000E+01 volume 0.48182E-03 ppm1 8.604 ppm2 1.683 CV 1 ASSI { 368} (( segid "T22D" and resid 69 and name HN )) (( segid "T22D" and resid 68 and name HB )) 2.500 0.800 0.800 peak 368 spectrum 1 weight 0.10000E+01 volume 0.44145E-02 ppm1 8.605 ppm2 3.674 CV 1 ASSI { 369} (( segid "T22D" and resid 69 and name HN )) ( segid "T22D" and resid 68 and name HG2%) 3.900 1.900 1.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.18142E-02 ppm1 8.605 ppm2 0.967 CV 1 ASSI { 370} (( segid "T22D" and resid 69 and name HN )) (( segid "T22D" and resid 69 and name HA )) 2.800 1.000 1.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.24782E-02 ppm1 8.604 ppm2 4.599 CV 1 ASSI { 371} (( segid "T22D" and resid 69 and name HN )) (( segid "T22D" and resid 69 and name HB1 )) 2.600 0.900 0.900 peak 371 spectrum 1 weight 0.10000E+01 volume 0.35240E-02 ppm1 8.603 ppm2 2.480 CV 1 ASSI { 372} (( segid "T22D" and resid 69 and name HN )) (( segid "T22D" and resid 69 and name HB2 )) 2.500 0.800 0.800 peak 372 spectrum 1 weight 0.10000E+01 volume 0.41609E-02 ppm1 8.603 ppm2 3.068 CV 1 ASSI { 373} (( segid "T22D" and resid 69 and name HN )) (( segid "T22D" and resid 74 and name HN )) 3.200 1.300 1.300 peak 373 spectrum 1 weight 0.10000E+01 volume 0.92001E-03 ppm1 8.605 ppm2 7.635 CV 1 ASSI { 374} (( segid "T22D" and resid 69 and name HN )) (( segid "T22D" and resid 75 and name HA )) 4.300 2.300 1.700 peak 374 spectrum 1 weight 0.10000E+01 volume 0.65550E-03 ppm1 8.602 ppm2 4.176 CV 1 ASSI { 376} (( segid "T22D" and resid 69 and name HN )) (( segid "T22D" and resid 76 and name HN )) 4.600 2.600 1.400 peak 376 spectrum 1 weight 0.10000E+01 volume 0.45192E-03 ppm1 8.604 ppm2 9.121 CV 1 ASSI { 378} (( segid "T22D" and resid 70 and name HN )) (( segid "3T5T" and resid 6 and name H5'')) 3.000 3.000 3.000 peak 378 spectrum 1 weight 0.10000E+01 volume 0.56693E-03 ppm1 9.024 ppm2 4.253 CV 1 ASSI { 379} (( segid "T22D" and resid 70 and name HN )) (( segid "T22D" and resid 69 and name HA )) 2.400 0.700 0.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.53599E-02 ppm1 9.023 ppm2 4.593 CV 1 ASSI { 380} (( segid "T22D" and resid 70 and name HN )) (( segid "T22D" and resid 69 and name HB1 )) 4.100 2.100 1.900 peak 380 spectrum 1 weight 0.10000E+01 volume 0.61901E-03 ppm1 9.016 ppm2 2.496 CV 1 ASSI { 381} (( segid "T22D" and resid 70 and name HN )) (( segid "T22D" and resid 69 and name HB2 )) 4.600 2.600 1.400 peak 381 spectrum 1 weight 0.10000E+01 volume 0.57523E-03 ppm1 9.028 ppm2 3.043 CV 1 ASSI { 382} (( segid "T22D" and resid 70 and name HN )) (( segid "T22D" and resid 70 and name HA )) 3.000 1.100 1.100 peak 382 spectrum 1 weight 0.10000E+01 volume 0.19598E-02 ppm1 9.020 ppm2 4.053 CV 1 ASSI { 383} (( segid "T22D" and resid 70 and name HN )) (( segid "T22D" and resid 70 and name HB2 )) 2.500 0.800 0.800 peak 383 spectrum 1 weight 0.10000E+01 volume 0.46618E-02 ppm1 9.021 ppm2 1.854 CV 1 OR { 383} (( segid "T22D" and resid 70 and name HN )) (( segid "T22D" and resid 70 and name HB1 )) ASSI { 384} (( segid "T22D" and resid 70 and name HN )) (( segid "T22D" and resid 70 and name HG2 )) 3.800 1.800 1.800 peak 384 spectrum 1 weight 0.10000E+01 volume 0.21003E-02 ppm1 9.023 ppm2 1.678 CV 1 OR { 384} (( segid "T22D" and resid 70 and name HN )) (( segid "T22D" and resid 70 and name HG1 )) ASSI { 385} (( segid "T22D" and resid 71 and name HN )) ( segid "T22D" and resid 72 and name HG2%) 4.600 2.600 1.400 peak 385 spectrum 1 weight 0.10000E+01 volume 0.58682E-03 ppm1 8.844 ppm2 1.164 CV 1 ASSI { 386} (( segid "T22D" and resid 71 and name HN )) (( segid "T22D" and resid 73 and name HN )) 3.700 1.700 1.700 peak 386 spectrum 1 weight 0.10000E+01 volume 0.85137E-03 ppm1 8.847 ppm2 8.296 CV 1 ASSI { 387} (( segid "T22D" and resid 71 and name HN )) (( segid "T22D" and resid 69 and name HB1 )) 3.800 1.800 1.800 peak 387 spectrum 1 weight 0.10000E+01 volume 0.46368E-03 ppm1 8.844 ppm2 2.496 CV 1 ASSI { 389} (( segid "T22D" and resid 71 and name HN )) (( segid "T22D" and resid 70 and name HA )) 3.200 1.300 1.300 peak 389 spectrum 1 weight 0.10000E+01 volume 0.13276E-02 ppm1 8.850 ppm2 4.059 CV 1 ASSI { 390} (( segid "T22D" and resid 71 and name HN )) (( segid "T22D" and resid 70 and name HB1 )) 3.100 1.200 1.200 peak 390 spectrum 1 weight 0.10000E+01 volume 0.17422E-02 ppm1 8.842 ppm2 1.852 CV 1 OR { 390} (( segid "T22D" and resid 71 and name HN )) (( segid "T22D" and resid 70 and name HB2 )) ASSI { 391} (( segid "T22D" and resid 71 and name HN )) (( segid "T22D" and resid 71 and name HA )) 2.300 0.600 0.600 peak 391 spectrum 1 weight 0.10000E+01 volume 0.11509E-01 ppm1 8.845 ppm2 4.745 CV 1 ASSI { 392} (( segid "T22D" and resid 71 and name HN )) (( segid "T22D" and resid 71 and name HB1 )) 3.600 1.600 1.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.28580E-02 ppm1 8.842 ppm2 3.004 CV 1 ASSI { 393} (( segid "T22D" and resid 71 and name HN )) (( segid "T22D" and resid 71 and name HB2 )) 2.800 1.000 1.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.20333E-02 ppm1 8.842 ppm2 2.835 CV 1 ASSI { 394} (( segid "T22D" and resid 71 and name HN )) (( segid "T22D" and resid 72 and name HN )) 2.600 0.900 0.900 peak 394 spectrum 1 weight 0.10000E+01 volume 0.29951E-02 ppm1 8.843 ppm2 8.096 CV 1 ASSI { 396} (( segid "T22D" and resid 71 and name HD21)) (( segid "T22D" and resid 71 and name HB1 )) 3.100 1.200 1.200 peak 396 spectrum 1 weight 0.10000E+01 volume 0.18328E-02 ppm1 7.917 ppm2 3.002 CV 1 ASSI { 397} (( segid "T22D" and resid 71 and name HD22)) (( segid "T22D" and resid 71 and name HB1 )) 4.000 2.000 2.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.11578E-02 ppm1 7.035 ppm2 2.999 CV 1 ASSI { 398} (( segid "T22D" and resid 71 and name HD21)) (( segid "T22D" and resid 71 and name HB2 )) 3.300 1.400 1.400 peak 398 spectrum 1 weight 0.10000E+01 volume 0.70050E-03 ppm1 7.916 ppm2 2.821 CV 1 ASSI { 399} (( segid "T22D" and resid 71 and name HD22)) (( segid "T22D" and resid 71 and name HB2 )) 4.400 2.400 1.600 peak 399 spectrum 1 weight 0.10000E+01 volume 0.65684E-03 ppm1 7.035 ppm2 2.831 CV 1 ASSI { 400} (( segid "T22D" and resid 71 and name HD22)) (( segid "T22D" and resid 71 and name HD21)) 1.800 0.400 0.400 peak 400 spectrum 1 weight 0.10000E+01 volume 0.17686E-01 ppm1 7.036 ppm2 7.888 CV 1 ASSI { 402} (( segid "T22D" and resid 72 and name HN )) (( segid "T22D" and resid 74 and name HN )) 4.300 2.300 1.700 peak 402 spectrum 1 weight 0.10000E+01 volume 0.63165E-03 ppm1 8.124 ppm2 7.625 CV 1 ASSI { 405} (( segid "T22D" and resid 72 and name HN )) (( segid "T22D" and resid 71 and name HA )) 2.700 0.900 0.900 peak 405 spectrum 1 weight 0.10000E+01 volume 0.53273E-02 ppm1 8.124 ppm2 4.743 CV 1 ASSI { 406} (( segid "T22D" and resid 72 and name HN )) (( segid "T22D" and resid 71 and name HB1 )) 3.300 1.400 1.400 peak 406 spectrum 1 weight 0.10000E+01 volume 0.26624E-02 ppm1 8.124 ppm2 3.023 CV 1 ASSI { 407} (( segid "T22D" and resid 72 and name HN )) (( segid "T22D" and resid 71 and name HB2 )) 3.000 1.100 1.100 peak 407 spectrum 1 weight 0.10000E+01 volume 0.10886E-02 ppm1 8.118 ppm2 2.822 CV 1 ASSI { 408} (( segid "T22D" and resid 72 and name HN )) (( segid "T22D" and resid 72 and name HA )) 2.600 0.900 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.35579E-02 ppm1 8.125 ppm2 4.349 CV 1 ASSI { 409} (( segid "T22D" and resid 72 and name HN )) ( segid "T22D" and resid 72 and name HG2%) 2.500 0.800 0.800 peak 409 spectrum 1 weight 0.10000E+01 volume 0.53699E-02 ppm1 8.125 ppm2 1.170 CV 1 ASSI { 410} (( segid "T22D" and resid 72 and name HN )) (( segid "T22D" and resid 73 and name HN )) 2.300 0.600 0.600 peak 410 spectrum 1 weight 0.10000E+01 volume 0.54787E-02 ppm1 8.126 ppm2 8.265 CV 1 ASSI { 411} (( segid "T22D" and resid 72 and name HN )) (( segid "T22D" and resid 73 and name HA )) 4.300 2.300 1.700 peak 411 spectrum 1 weight 0.10000E+01 volume 0.13741E-02 ppm1 8.123 ppm2 3.982 CV 1 ASSI { 413} (( segid "T22D" and resid 73 and name HN )) (( segid "T22D" and resid 69 and name HB2 )) 4.500 2.500 1.500 peak 413 spectrum 1 weight 0.10000E+01 volume 0.10394E-02 ppm1 8.302 ppm2 3.049 CV 1 ASSI { 416} (( segid "T22D" and resid 73 and name HN )) (( segid "T22D" and resid 72 and name HA )) 3.100 1.200 1.200 peak 416 spectrum 1 weight 0.10000E+01 volume 0.19906E-02 ppm1 8.296 ppm2 4.338 CV 1 ASSI { 417} (( segid "T22D" and resid 73 and name HN )) ( segid "T22D" and resid 72 and name HG2%) 4.500 2.600 1.500 peak 417 spectrum 1 weight 0.10000E+01 volume 0.64954E-03 ppm1 8.292 ppm2 1.179 CV 1 ASSI { 418} (( segid "T22D" and resid 73 and name HN )) (( segid "T22D" and resid 73 and name HA )) 2.100 0.500 0.500 peak 418 spectrum 1 weight 0.10000E+01 volume 0.10440E-01 ppm1 8.296 ppm2 3.967 CV 1 ASSI { 419} (( segid "T22D" and resid 73 and name HN )) (( segid "T22D" and resid 73 and name HG1 )) 2.800 1.000 1.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.32115E-02 ppm1 8.297 ppm2 2.321 CV 1 OR { 419} (( segid "T22D" and resid 73 and name HN )) (( segid "T22D" and resid 73 and name HG2 )) ASSI { 420} (( segid "T22D" and resid 73 and name HN )) (( segid "T22D" and resid 74 and name HN )) 2.500 0.800 0.800 peak 420 spectrum 1 weight 0.10000E+01 volume 0.32770E-02 ppm1 8.295 ppm2 7.639 CV 1 ASSI { 421} (( segid "T22D" and resid 73 and name HE22)) (( segid "T22D" and resid 73 and name HE21)) 1.600 0.300 0.600 peak 421 spectrum 1 weight 0.10000E+01 volume 0.39458E-01 ppm1 6.756 ppm2 7.405 CV 1 ASSI { 423} (( segid "T22D" and resid 73 and name HE21)) (( segid "T22D" and resid 73 and name HG2 )) 3.400 1.400 1.400 peak 423 spectrum 1 weight 0.10000E+01 volume 0.83619E-03 ppm1 7.433 ppm2 2.287 CV 1 OR { 423} (( segid "T22D" and resid 73 and name HE21)) (( segid "T22D" and resid 73 and name HG1 )) ASSI { 424} (( segid "T22D" and resid 74 and name HN )) (( segid "T22D" and resid 74 and name HB1 )) 3.000 1.100 1.100 peak 424 spectrum 1 weight 0.10000E+01 volume 0.57619E-02 ppm1 7.666 ppm2 1.574 CV 1 OR { 424} (( segid "T22D" and resid 74 and name HN )) (( segid "T22D" and resid 74 and name HD2 )) OR { 424} (( segid "T22D" and resid 74 and name HN )) (( segid "T22D" and resid 74 and name HD1 )) ASSI { 426} (( segid "T22D" and resid 74 and name HN )) (( segid "T22D" and resid 68 and name HB )) 3.600 1.600 1.600 peak 426 spectrum 1 weight 0.10000E+01 volume 0.42811E-03 ppm1 7.662 ppm2 3.697 CV 1 ASSI { 427} (( segid "T22D" and resid 74 and name HN )) (( segid "T22D" and resid 69 and name HB1 )) 3.100 1.200 1.200 peak 427 spectrum 1 weight 0.10000E+01 volume 0.10429E-02 ppm1 7.661 ppm2 2.481 CV 1 ASSI { 428} (( segid "T22D" and resid 74 and name HN )) (( segid "T22D" and resid 69 and name HB2 )) 3.600 1.600 1.600 peak 428 spectrum 1 weight 0.10000E+01 volume 0.22171E-02 ppm1 7.666 ppm2 3.064 CV 1 ASSI { 429} (( segid "T22D" and resid 74 and name HN )) ( segid "T22D" and resid 72 and name HG2%) 4.400 2.500 1.600 peak 429 spectrum 1 weight 0.10000E+01 volume 0.79687E-03 ppm1 7.660 ppm2 1.188 CV 1 ASSI { 431} (( segid "T22D" and resid 74 and name HN )) (( segid "T22D" and resid 73 and name HB1 )) 3.700 1.700 1.700 peak 431 spectrum 1 weight 0.10000E+01 volume 0.78528E-03 ppm1 7.667 ppm2 2.325 CV 1 OR { 431} (( segid "T22D" and resid 74 and name HN )) (( segid "T22D" and resid 73 and name HB2 )) OR { 431} (( segid "T22D" and resid 74 and name HN )) (( segid "T22D" and resid 73 and name HG1 )) ASSI { 432} (( segid "T22D" and resid 74 and name HN )) (( segid "T22D" and resid 73 and name HA )) 2.800 1.000 1.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.21446E-02 ppm1 7.663 ppm2 3.968 CV 1 ASSI { 433} (( segid "T22D" and resid 74 and name HN )) (( segid "T22D" and resid 74 and name HA )) 2.500 0.800 0.800 peak 433 spectrum 1 weight 0.10000E+01 volume 0.41168E-02 ppm1 7.664 ppm2 4.345 CV 1 ASSI { 434} (( segid "T22D" and resid 74 and name HN )) (( segid "T22D" and resid 74 and name HB2 )) 2.500 0.800 0.800 peak 434 spectrum 1 weight 0.10000E+01 volume 0.26921E-02 ppm1 7.666 ppm2 1.774 CV 1 ASSI { 435} (( segid "T22D" and resid 74 and name HN )) (( segid "T22D" and resid 74 and name HG1 )) 2.500 0.800 0.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.38411E-02 ppm1 7.666 ppm2 1.377 CV 1 OR { 435} (( segid "T22D" and resid 74 and name HN )) (( segid "T22D" and resid 74 and name HG2 )) ASSI { 437} (( segid "T22D" and resid 75 and name HN )) ( segid "T22D" and resid 68 and name HG2%) 3.900 1.900 1.900 peak 437 spectrum 1 weight 0.10000E+01 volume 0.54520E-03 ppm1 8.717 ppm2 0.967 CV 1 ASSI { 440} (( segid "T22D" and resid 75 and name HN )) (( segid "T22D" and resid 74 and name HN )) 4.600 2.700 1.400 peak 440 spectrum 1 weight 0.10000E+01 volume 0.38543E-03 ppm1 8.733 ppm2 7.636 CV 1 ASSI { 441} (( segid "T22D" and resid 75 and name HN )) (( segid "T22D" and resid 74 and name HA )) 2.400 0.700 0.700 peak 441 spectrum 1 weight 0.10000E+01 volume 0.47727E-02 ppm1 8.724 ppm2 4.369 CV 1 ASSI { 442} (( segid "T22D" and resid 75 and name HN )) (( segid "T22D" and resid 74 and name HB1 )) 3.700 1.700 1.700 peak 442 spectrum 1 weight 0.10000E+01 volume 0.54024E-03 ppm1 8.724 ppm2 1.574 CV 1 ASSI { 443} (( segid "T22D" and resid 75 and name HN )) (( segid "T22D" and resid 74 and name HB2 )) 4.200 2.200 1.800 peak 443 spectrum 1 weight 0.10000E+01 volume 0.83874E-03 ppm1 8.723 ppm2 1.777 CV 1 ASSI { 444} (( segid "T22D" and resid 75 and name HN )) (( segid "T22D" and resid 75 and name HA )) 3.100 1.200 1.200 peak 444 spectrum 1 weight 0.10000E+01 volume 0.10279E-02 ppm1 8.721 ppm2 4.234 CV 1 ASSI { 445} (( segid "T22D" and resid 75 and name HN )) (( segid "T22D" and resid 75 and name HB1 )) 3.100 1.200 1.200 peak 445 spectrum 1 weight 0.10000E+01 volume 0.19925E-02 ppm1 8.730 ppm2 4.002 CV 1 ASSI { 446} (( segid "T22D" and resid 75 and name HN )) (( segid "T22D" and resid 75 and name HB2 )) 2.700 0.900 0.900 peak 446 spectrum 1 weight 0.10000E+01 volume 0.28429E-02 ppm1 8.723 ppm2 4.193 CV 1 ASSI { 449} (( segid "T22D" and resid 76 and name HN )) ( segid "T22D" and resid 66 and name HG1%) 3.700 1.700 1.700 peak 449 spectrum 1 weight 0.10000E+01 volume 0.68644E-03 ppm1 9.144 ppm2 0.717 CV 1 ASSI { 450} (( segid "T22D" and resid 76 and name HN )) (( segid "T22D" and resid 68 and name HA )) 2.800 1.000 1.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.29160E-02 ppm1 9.134 ppm2 4.780 CV 1 ASSI { 451} (( segid "T22D" and resid 76 and name HN )) ( segid "T22D" and resid 68 and name HG2%) 4.200 2.300 1.800 peak 451 spectrum 1 weight 0.10000E+01 volume 0.14967E-02 ppm1 9.142 ppm2 0.961 CV 1 ASSI { 452} (( segid "T22D" and resid 76 and name HN )) (( segid "T22D" and resid 75 and name HN )) 4.600 2.600 1.400 peak 452 spectrum 1 weight 0.10000E+01 volume 0.48403E-03 ppm1 9.123 ppm2 8.760 CV 1 ASSI { 453} (( segid "T22D" and resid 76 and name HN )) (( segid "T22D" and resid 75 and name HA )) 2.200 0.600 0.600 peak 453 spectrum 1 weight 0.10000E+01 volume 0.57710E-02 ppm1 9.134 ppm2 4.183 CV 1 ASSI { 454} (( segid "T22D" and resid 76 and name HN )) (( segid "T22D" and resid 75 and name HB1 )) 3.800 1.800 1.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.73632E-03 ppm1 9.134 ppm2 4.003 CV 1 ASSI { 455} (( segid "T22D" and resid 76 and name HN )) (( segid "T22D" and resid 76 and name HA )) 3.100 1.200 1.200 peak 455 spectrum 1 weight 0.10000E+01 volume 0.14713E-02 ppm1 9.135 ppm2 4.563 CV 1 ASSI { 456} (( segid "T22D" and resid 76 and name HN )) (( segid "T22D" and resid 76 and name HB1 )) 3.700 1.700 1.700 peak 456 spectrum 1 weight 0.10000E+01 volume 0.17237E-02 ppm1 9.136 ppm2 1.325 CV 1 ASSI { 457} (( segid "T22D" and resid 76 and name HN )) (( segid "T22D" and resid 76 and name HB2 )) 3.100 1.200 1.200 peak 457 spectrum 1 weight 0.10000E+01 volume 0.75504E-03 ppm1 9.136 ppm2 2.278 CV 1 ASSI { 458} (( segid "T22D" and resid 76 and name HN )) (( segid "T22D" and resid 76 and name HG1 )) 3.100 1.200 1.200 peak 458 spectrum 1 weight 0.10000E+01 volume 0.70267E-03 ppm1 9.137 ppm2 1.711 CV 1 ASSI { 459} (( segid "T22D" and resid 76 and name HN )) (( segid "T22D" and resid 76 and name HG2 )) 3.800 1.800 1.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.11558E-02 ppm1 9.136 ppm2 1.512 CV 1 ASSI { 460} (( segid "T22D" and resid 76 and name HN )) (( segid "T22D" and resid 77 and name HN )) 2.900 1.100 1.100 peak 460 spectrum 1 weight 0.10000E+01 volume 0.13978E-02 ppm1 9.132 ppm2 9.726 CV 1 ASSI { 464} (( segid "T22D" and resid 77 and name HN )) ( segid "T22D" and resid 66 and name HG1%) 4.100 2.100 1.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.38134E-03 ppm1 9.770 ppm2 0.687 CV 1 ASSI { 466} (( segid "T22D" and resid 77 and name HN )) (( segid "T22D" and resid 76 and name HA )) 3.700 1.800 1.800 peak 466 spectrum 1 weight 0.10000E+01 volume 0.40644E-03 ppm1 9.756 ppm2 4.569 CV 1 ASSI { 467} (( segid "T22D" and resid 77 and name HN )) (( segid "T22D" and resid 77 and name HA1 )) 3.400 1.400 1.400 peak 467 spectrum 1 weight 0.10000E+01 volume 0.14189E-02 ppm1 9.762 ppm2 3.226 CV 1 ASSI { 468} (( segid "T22D" and resid 77 and name HN )) (( segid "T22D" and resid 77 and name HA2 )) 2.800 1.000 1.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.16121E-02 ppm1 9.762 ppm2 4.218 CV 1 ASSI { 470} (( segid "T22D" and resid 78 and name HN )) (( segid "T22D" and resid 76 and name HB2 )) 3.500 1.500 1.500 peak 470 spectrum 1 weight 0.10000E+01 volume 0.55525E-03 ppm1 7.089 ppm2 2.316 CV 1 ASSI { 471} (( segid "T22D" and resid 78 and name HN )) (( segid "T22D" and resid 42 and name HB2 )) 3.600 1.600 1.600 peak 471 spectrum 1 weight 0.10000E+01 volume 0.69979E-03 ppm1 7.086 ppm2 0.932 CV 1 ASSI { 472} (( segid "T22D" and resid 78 and name HN )) (( segid "T22D" and resid 76 and name HB1 )) 4.000 2.000 2.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.80221E-03 ppm1 7.091 ppm2 1.325 CV 1 ASSI { 473} (( segid "T22D" and resid 78 and name HN )) (( segid "T22D" and resid 76 and name HN )) 3.600 1.600 1.600 peak 473 spectrum 1 weight 0.10000E+01 volume 0.58227E-03 ppm1 7.090 ppm2 9.085 CV 1 ASSI { 474} (( segid "T22D" and resid 78 and name HN )) (( segid "T22D" and resid 78 and name HB1 )) 4.500 2.500 1.500 peak 474 spectrum 1 weight 0.10000E+01 volume 0.18435E-03 ppm1 7.086 ppm2 2.430 CV 1 ASSI { 475} (( segid "T22D" and resid 78 and name HN )) ( segid "T22D" and resid 42 and name HD1%) 4.000 2.000 2.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.79353E-03 ppm1 7.089 ppm2 0.430 CV 1 ASSI { 476} (( segid "T22D" and resid 78 and name HN )) ( segid "T22D" and resid 66 and name HG1%) 3.500 1.500 1.500 peak 476 spectrum 1 weight 0.10000E+01 volume 0.84153E-03 ppm1 7.082 ppm2 0.686 CV 1 ASSI { 477} (( segid "T22D" and resid 78 and name HN )) (( segid "T22D" and resid 77 and name HN )) 2.700 0.900 0.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.29402E-02 ppm1 7.084 ppm2 9.722 CV 1 ASSI { 479} (( segid "T22D" and resid 78 and name HN )) (( segid "T22D" and resid 77 and name HA2 )) 3.300 1.400 1.400 peak 479 spectrum 1 weight 0.10000E+01 volume 0.10630E-02 ppm1 7.089 ppm2 4.219 CV 1 ASSI { 480} (( segid "T22D" and resid 78 and name HN )) (( segid "T22D" and resid 78 and name HA )) 2.900 1.100 1.100 peak 480 spectrum 1 weight 0.10000E+01 volume 0.16566E-02 ppm1 7.085 ppm2 4.974 CV 1 ASSI { 481} (( segid "T22D" and resid 78 and name HN )) ( segid "T22D" and resid 78 and name HD% ) 3.900 1.900 1.900 peak 481 spectrum 1 weight 0.10000E+01 volume 0.43286E-03 ppm1 7.079 ppm2 6.370 CV 1 ASSI { 482} (( segid "T22D" and resid 79 and name HN )) (( segid "T22D" and resid 78 and name HB2 )) 2.600 0.800 0.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.20575E-02 ppm1 8.772 ppm2 2.456 CV 1 ASSI { 483} (( segid "T22D" and resid 79 and name HN )) (( segid "T22D" and resid 39 and name HN )) 3.200 1.300 1.300 peak 483 spectrum 1 weight 0.10000E+01 volume 0.89808E-03 ppm1 8.765 ppm2 7.507 CV 1 ASSI { 484} (( segid "T22D" and resid 79 and name HN )) (( segid "T22D" and resid 78 and name HN )) 4.400 2.400 1.600 peak 484 spectrum 1 weight 0.10000E+01 volume 0.38333E-03 ppm1 8.765 ppm2 7.065 CV 1 ASSI { 486} (( segid "T22D" and resid 79 and name HN )) (( segid "T22D" and resid 78 and name HB1 )) 4.000 2.000 2.000 peak 486 spectrum 1 weight 0.10000E+01 volume 0.12227E-02 ppm1 8.776 ppm2 2.398 CV 1 ASSI { 489} (( segid "T22D" and resid 79 and name HN )) (( segid "T22D" and resid 39 and name HB )) 2.800 1.000 1.000 peak 489 spectrum 1 weight 0.10000E+01 volume 0.14062E-02 ppm1 8.769 ppm2 1.422 CV 1 ASSI { 491} (( segid "T22D" and resid 79 and name HN )) ( segid "T22D" and resid 42 and name HD1%) 2.800 1.000 1.000 peak 491 spectrum 1 weight 0.10000E+01 volume 0.13836E-02 ppm1 8.774 ppm2 0.426 CV 1 ASSI { 492} (( segid "T22D" and resid 79 and name HN )) (( segid "T22D" and resid 78 and name HA )) 2.400 0.800 0.800 peak 492 spectrum 1 weight 0.10000E+01 volume 0.33997E-02 ppm1 8.772 ppm2 4.970 CV 1 ASSI { 493} (( segid "T22D" and resid 79 and name HN )) ( segid "T22D" and resid 78 and name HD% ) 3.600 1.600 1.600 peak 493 spectrum 1 weight 0.10000E+01 volume 0.93206E-03 ppm1 8.769 ppm2 6.354 CV 1 ASSI { 494} (( segid "T22D" and resid 79 and name HN )) (( segid "T22D" and resid 79 and name HA1 )) 2.700 0.900 0.900 peak 494 spectrum 1 weight 0.10000E+01 volume 0.17265E-02 ppm1 8.774 ppm2 3.774 CV 1 ASSI { 495} (( segid "T22D" and resid 79 and name HN )) (( segid "T22D" and resid 79 and name HA2 )) 3.200 1.300 1.300 peak 495 spectrum 1 weight 0.10000E+01 volume 0.78728E-03 ppm1 8.771 ppm2 3.933 CV 1 ASSI { 496} (( segid "T22D" and resid 80 and name HN )) (( segid "T22D" and resid 65 and name HN )) 3.000 1.200 1.200 peak 496 spectrum 1 weight 0.10000E+01 volume 0.14899E-02 ppm1 8.427 ppm2 8.899 CV 1 ASSI { 497} (( segid "T22D" and resid 80 and name HN )) ( segid "T22D" and resid 67 and name HD1%) 3.600 1.600 1.600 peak 497 spectrum 1 weight 0.10000E+01 volume 0.89095E-03 ppm1 8.427 ppm2 0.727 CV 1 ASSI { 498} (( segid "T22D" and resid 80 and name HN )) (( segid "T22D" and resid 79 and name HN )) 4.300 2.300 1.700 peak 498 spectrum 1 weight 0.10000E+01 volume 0.41914E-03 ppm1 8.429 ppm2 8.729 CV 1 ASSI { 499} (( segid "T22D" and resid 80 and name HN )) (( segid "T22D" and resid 67 and name HN )) 3.900 1.900 1.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.12673E-02 ppm1 8.429 ppm2 8.304 CV 1 ASSI { 500} (( segid "T22D" and resid 80 and name HN )) ( segid "T22D" and resid 65 and name HG2%) 2.600 0.900 0.900 peak 500 spectrum 1 weight 0.10000E+01 volume 0.43857E-02 ppm1 8.427 ppm2 0.927 CV 1 OR { 500} (( segid "T22D" and resid 80 and name HN )) ( segid "T22D" and resid 65 and name HG1%) ASSI { 501} (( segid "T22D" and resid 80 and name HN )) ( segid "T22D" and resid 66 and name HG2%) 2.500 2.500 3.500 peak 501 spectrum 1 weight 0.10000E+01 volume 0.17872E-02 ppm1 8.425 ppm2 0.558 CV 1 ASSI { 502} (( segid "T22D" and resid 80 and name HN )) (( segid "T22D" and resid 79 and name HA1 )) 2.400 0.700 0.700 peak 502 spectrum 1 weight 0.10000E+01 volume 0.50025E-02 ppm1 8.426 ppm2 3.776 CV 1 ASSI { 503} (( segid "T22D" and resid 80 and name HN )) (( segid "T22D" and resid 79 and name HA2 )) 2.500 0.800 0.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.34627E-02 ppm1 8.425 ppm2 3.940 CV 1 ASSI { 504} (( segid "T22D" and resid 80 and name HN )) (( segid "T22D" and resid 80 and name HA )) 3.000 1.200 1.200 peak 504 spectrum 1 weight 0.10000E+01 volume 0.14053E-02 ppm1 8.425 ppm2 5.574 CV 1 ASSI { 505} (( segid "T22D" and resid 80 and name HN )) (( segid "T22D" and resid 80 and name HB1 )) 3.900 1.900 1.900 peak 505 spectrum 1 weight 0.10000E+01 volume 0.13183E-02 ppm1 8.426 ppm2 2.168 CV 1 ASSI { 506} (( segid "T22D" and resid 80 and name HN )) (( segid "T22D" and resid 80 and name HB2 )) 3.200 1.200 1.200 peak 506 spectrum 1 weight 0.10000E+01 volume 0.87827E-03 ppm1 8.420 ppm2 2.767 CV 1 ASSI { 507} (( segid "T22D" and resid 80 and name HN )) ( segid "T22D" and resid 80 and name HD% ) 3.400 1.500 1.500 peak 507 spectrum 1 weight 0.10000E+01 volume 0.10303E-02 ppm1 8.423 ppm2 6.594 CV 1 ASSI { 508} (( segid "T22D" and resid 81 and name HN )) (( segid "T22D" and resid 81 and name HB )) 2.700 0.900 0.900 peak 508 spectrum 1 weight 0.10000E+01 volume 0.26575E-02 ppm1 8.805 ppm2 1.083 CV 1 ASSI { 510} (( segid "T22D" and resid 81 and name HN )) ( segid "T22D" and resid 37 and name HG2%) 3.800 1.800 1.800 peak 510 spectrum 1 weight 0.10000E+01 volume 0.95771E-03 ppm1 8.813 ppm2 0.701 CV 1 OR { 510} (( segid "T22D" and resid 81 and name HN )) ( segid "T22D" and resid 37 and name HD1%) ASSI { 514} (( segid "T22D" and resid 81 and name HN )) (( segid "T22D" and resid 38 and name HA )) 4.100 2.100 1.900 peak 514 spectrum 1 weight 0.10000E+01 volume 0.42152E-03 ppm1 8.807 ppm2 4.582 CV 1 ASSI { 515} (( segid "T22D" and resid 81 and name HN )) (( segid "T22D" and resid 36 and name HA )) 4.400 2.400 1.600 peak 515 spectrum 1 weight 0.10000E+01 volume 0.41070E-03 ppm1 8.805 ppm2 4.949 CV 1 ASSI { 517} (( segid "T22D" and resid 81 and name HN )) (( segid "T22D" and resid 37 and name HN )) 3.000 1.200 1.200 peak 517 spectrum 1 weight 0.10000E+01 volume 0.12417E-02 ppm1 8.801 ppm2 10.046 CV 1 ASSI { 518} (( segid "T22D" and resid 81 and name HN )) (( segid "T22D" and resid 37 and name HB )) 3.000 1.100 1.100 peak 518 spectrum 1 weight 0.10000E+01 volume 0.14703E-02 ppm1 8.803 ppm2 1.861 CV 1 ASSI { 519} (( segid "T22D" and resid 81 and name HN )) (( segid "T22D" and resid 80 and name HA )) 2.300 0.700 0.700 peak 519 spectrum 1 weight 0.10000E+01 volume 0.62581E-02 ppm1 8.805 ppm2 5.575 CV 1 ASSI { 520} (( segid "T22D" and resid 81 and name HN )) (( segid "T22D" and resid 80 and name HB1 )) 3.400 1.500 1.500 peak 520 spectrum 1 weight 0.10000E+01 volume 0.67706E-03 ppm1 8.802 ppm2 2.172 CV 1 ASSI { 521} (( segid "T22D" and resid 81 and name HN )) (( segid "T22D" and resid 80 and name HB2 )) 4.000 2.000 2.000 peak 521 spectrum 1 weight 0.10000E+01 volume 0.12909E-02 ppm1 8.806 ppm2 2.750 CV 1 ASSI { 522} (( segid "T22D" and resid 81 and name HN )) ( segid "T22D" and resid 80 and name HD% ) 3.500 1.500 1.500 peak 522 spectrum 1 weight 0.10000E+01 volume 0.11527E-02 ppm1 8.802 ppm2 6.585 CV 1 ASSI { 523} (( segid "T22D" and resid 81 and name HN )) (( segid "T22D" and resid 81 and name HA )) 2.900 1.100 1.100 peak 523 spectrum 1 weight 0.10000E+01 volume 0.15984E-02 ppm1 8.804 ppm2 4.775 CV 1 ASSI { 524} (( segid "T22D" and resid 81 and name HN )) ( segid "T22D" and resid 81 and name HG2%) 3.300 1.300 1.300 peak 524 spectrum 1 weight 0.10000E+01 volume 0.16014E-02 ppm1 8.804 ppm2 0.270 CV 1 ASSI { 525} (( segid "T22D" and resid 81 and name HN )) (( segid "T22D" and resid 82 and name HN )) 4.100 2.100 1.900 peak 525 spectrum 1 weight 0.10000E+01 volume 0.57977E-03 ppm1 8.799 ppm2 9.535 CV 1 ASSI { 528} (( segid "T22D" and resid 82 and name HN )) ( segid "T22D" and resid 64 and name HB% ) 4.200 2.200 1.800 peak 528 spectrum 1 weight 0.10000E+01 volume 0.50805E-03 ppm1 9.573 ppm2 1.316 CV 1 ASSI { 531} (( segid "T22D" and resid 82 and name HN )) (( segid "T22D" and resid 63 and name HB1 )) 3.700 1.700 1.700 peak 531 spectrum 1 weight 0.10000E+01 volume 0.51710E-03 ppm1 9.558 ppm2 1.954 CV 1 ASSI { 532} (( segid "T22D" and resid 82 and name HN )) (( segid "T22D" and resid 63 and name HB2 )) 4.800 2.900 1.200 peak 532 spectrum 1 weight 0.10000E+01 volume 0.41052E-03 ppm1 9.565 ppm2 2.130 CV 1 ASSI { 533} (( segid "T22D" and resid 82 and name HN )) (( segid "T22D" and resid 64 and name HA )) 3.100 1.200 1.200 peak 533 spectrum 1 weight 0.10000E+01 volume 0.23642E-02 ppm1 9.565 ppm2 5.230 CV 1 ASSI { 535} (( segid "T22D" and resid 82 and name HN )) (( segid "T22D" and resid 81 and name HA )) 2.200 0.600 0.600 peak 535 spectrum 1 weight 0.10000E+01 volume 0.77264E-02 ppm1 9.567 ppm2 4.774 CV 1 ASSI { 536} (( segid "T22D" and resid 82 and name HN )) ( segid "T22D" and resid 81 and name HG1%) 2.800 1.000 1.000 peak 536 spectrum 1 weight 0.10000E+01 volume 0.23789E-02 ppm1 9.567 ppm2 0.527 CV 1 ASSI { 537} (( segid "T22D" and resid 82 and name HN )) ( segid "T22D" and resid 81 and name HG2%) 4.300 2.300 1.700 peak 537 spectrum 1 weight 0.10000E+01 volume 0.10878E-02 ppm1 9.563 ppm2 0.293 CV 1 ASSI { 538} (( segid "T22D" and resid 82 and name HN )) (( segid "T22D" and resid 82 and name HB )) 2.800 1.000 1.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.22240E-02 ppm1 9.568 ppm2 3.905 CV 1 ASSI { 539} (( segid "T22D" and resid 82 and name HN )) ( segid "T22D" and resid 82 and name HG2%) 4.100 2.100 1.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.92714E-03 ppm1 9.563 ppm2 1.123 CV 1 ASSI { 540} (( segid "T22D" and resid 83 and name HN )) (( segid "T22D" and resid 83 and name HG2 )) 2.500 0.800 0.800 peak 540 spectrum 1 weight 0.10000E+01 volume 0.34364E-02 ppm1 8.447 ppm2 2.542 CV 1 OR { 540} (( segid "T22D" and resid 83 and name HN )) (( segid "T22D" and resid 83 and name HB1 )) ASSI { 541} (( segid "T22D" and resid 83 and name HN )) ( segid "T22D" and resid 82 and name HG2%) 2.800 1.000 1.000 peak 541 spectrum 1 weight 0.10000E+01 volume 0.31738E-02 ppm1 8.445 ppm2 1.138 CV 1 ASSI { 542} (( segid "T22D" and resid 83 and name HN )) (( segid "T22D" and resid 83 and name HG1 )) 4.200 2.200 1.800 peak 542 spectrum 1 weight 0.10000E+01 volume 0.87610E-03 ppm1 8.446 ppm2 2.198 CV 1 ASSI { 546} (( segid "T22D" and resid 84 and name HN )) (( segid "T22D" and resid 83 and name HA )) 2.200 0.600 0.600 peak 546 spectrum 1 weight 0.10000E+01 volume 0.59979E-02 ppm1 8.346 ppm2 5.066 CV 1 ASSI { 547} (( segid "T22D" and resid 84 and name HN )) (( segid "T22D" and resid 83 and name HB1 )) 2.400 0.700 0.700 peak 547 spectrum 1 weight 0.10000E+01 volume 0.38749E-02 ppm1 8.344 ppm2 2.547 CV 1 ASSI { 548} (( segid "T22D" and resid 84 and name HN )) (( segid "T22D" and resid 83 and name HB2 )) 4.100 2.100 1.900 peak 548 spectrum 1 weight 0.10000E+01 volume 0.68732E-03 ppm1 8.347 ppm2 2.046 CV 1 ASSI { 549} (( segid "T22D" and resid 84 and name HN )) (( segid "T22D" and resid 83 and name HG1 )) 4.400 2.400 1.600 peak 549 spectrum 1 weight 0.10000E+01 volume 0.69207E-03 ppm1 8.340 ppm2 2.210 CV 1 ASSI { 550} (( segid "T22D" and resid 84 and name HN )) (( segid "T22D" and resid 84 and name HA )) 2.400 0.700 0.700 peak 550 spectrum 1 weight 0.10000E+01 volume 0.64775E-02 ppm1 8.346 ppm2 4.097 CV 1 ASSI { 551} (( segid "T22D" and resid 84 and name HN )) (( segid "T22D" and resid 84 and name HB1 )) 2.400 0.700 0.700 peak 551 spectrum 1 weight 0.10000E+01 volume 0.71855E-02 ppm1 8.345 ppm2 1.712 CV 1 ASSI { 552} (( segid "T22D" and resid 84 and name HN )) (( segid "T22D" and resid 84 and name HB2 )) 2.200 0.600 0.600 peak 552 spectrum 1 weight 0.10000E+01 volume 0.55071E-02 ppm1 8.345 ppm2 1.899 CV 1 ASSI { 553} (( segid "T22D" and resid 84 and name HN )) (( segid "T22D" and resid 84 and name HG1 )) 3.500 1.600 1.600 peak 553 spectrum 1 weight 0.10000E+01 volume 0.29700E-02 ppm1 8.343 ppm2 1.364 CV 1 OR { 553} (( segid "T22D" and resid 84 and name HN )) (( segid "T22D" and resid 84 and name HG2 )) ASSI { 558} (( segid "T22D" and resid 85 and name HN )) ( segid "T22D" and resid 35 and name HG2%) 3.200 1.300 1.300 peak 558 spectrum 1 weight 0.10000E+01 volume 0.15267E-02 ppm1 7.729 ppm2 0.794 CV 1 ASSI { 560} (( segid "T22D" and resid 85 and name HN )) (( segid "T22D" and resid 83 and name HB2 )) 3.700 1.700 1.700 peak 560 spectrum 1 weight 0.10000E+01 volume 0.50542E-03 ppm1 7.739 ppm2 1.996 CV 1 ASSI { 561} (( segid "T22D" and resid 85 and name HN )) (( segid "T22D" and resid 83 and name HG1 )) 4.600 2.700 1.400 peak 561 spectrum 1 weight 0.10000E+01 volume 0.52110E-03 ppm1 7.733 ppm2 2.214 CV 1 ASSI { 562} (( segid "T22D" and resid 85 and name HN )) (( segid "T22D" and resid 84 and name HN )) 2.500 0.800 0.800 peak 562 spectrum 1 weight 0.10000E+01 volume 0.41881E-02 ppm1 7.731 ppm2 8.320 CV 1 ASSI { 563} (( segid "T22D" and resid 85 and name HN )) (( segid "T22D" and resid 84 and name HB2 )) 3.100 1.200 1.200 peak 563 spectrum 1 weight 0.10000E+01 volume 0.39358E-02 ppm1 7.732 ppm2 1.902 CV 1 ASSI { 564} (( segid "T22D" and resid 85 and name HN )) (( segid "T22D" and resid 84 and name HD2 )) 2.400 2.400 3.600 peak 564 spectrum 1 weight 0.10000E+01 volume 0.23525E-02 ppm1 7.736 ppm2 1.715 CV 1 OR { 564} (( segid "T22D" and resid 85 and name HN )) (( segid "T22D" and resid 84 and name HD1 )) ASSI { 565} (( segid "T22D" and resid 85 and name HN )) (( segid "T22D" and resid 84 and name HG2 )) 4.300 2.300 1.700 peak 565 spectrum 1 weight 0.10000E+01 volume 0.52310E-03 ppm1 7.730 ppm2 1.370 CV 1 OR { 565} (( segid "T22D" and resid 85 and name HN )) (( segid "T22D" and resid 84 and name HG1 )) ASSI { 566} (( segid "T22D" and resid 85 and name HN )) (( segid "T22D" and resid 85 and name HA )) 2.800 1.000 1.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.26721E-02 ppm1 7.733 ppm2 4.884 CV 1 ASSI { 567} (( segid "T22D" and resid 85 and name HN )) (( segid "T22D" and resid 85 and name HB1 )) 3.300 1.400 1.400 peak 567 spectrum 1 weight 0.10000E+01 volume 0.10495E-02 ppm1 7.730 ppm2 2.961 CV 1 ASSI { 568} (( segid "T22D" and resid 85 and name HN )) (( segid "T22D" and resid 85 and name HB2 )) 3.200 1.300 1.300 peak 568 spectrum 1 weight 0.10000E+01 volume 0.15696E-02 ppm1 7.736 ppm2 2.733 CV 1 ASSI { 569} (( segid "T22D" and resid 86 and name HN )) ( segid "T22D" and resid 35 and name HG2%) 3.400 1.400 1.400 peak 569 spectrum 1 weight 0.10000E+01 volume 0.12060E-02 ppm1 8.755 ppm2 0.800 CV 1 ASSI { 570} (( segid "T22D" and resid 86 and name HN )) (( segid "T22D" and resid 85 and name HA )) 2.500 0.800 0.800 peak 570 spectrum 1 weight 0.10000E+01 volume 0.38474E-02 ppm1 8.757 ppm2 4.900 CV 1 ASSI { 571} (( segid "T22D" and resid 86 and name HN )) (( segid "T22D" and resid 85 and name HB1 )) 3.100 1.200 1.200 peak 571 spectrum 1 weight 0.10000E+01 volume 0.25292E-02 ppm1 8.758 ppm2 2.968 CV 1 ASSI { 572} (( segid "T22D" and resid 86 and name HN )) (( segid "T22D" and resid 85 and name HB2 )) 3.600 1.600 1.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.16017E-02 ppm1 8.758 ppm2 2.738 CV 1 ASSI { 573} (( segid "T22D" and resid 86 and name HN )) (( segid "T22D" and resid 86 and name HA )) 3.100 1.200 1.200 peak 573 spectrum 1 weight 0.10000E+01 volume 0.14068E-02 ppm1 8.755 ppm2 4.044 CV 1 ASSI { 574} (( segid "T22D" and resid 86 and name HN )) (( segid "T22D" and resid 86 and name HB1 )) 2.600 0.800 0.800 peak 574 spectrum 1 weight 0.10000E+01 volume 0.33472E-02 ppm1 8.758 ppm2 1.863 CV 1 OR { 574} (( segid "T22D" and resid 86 and name HN )) (( segid "T22D" and resid 86 and name HB2 )) ASSI { 575} (( segid "T22D" and resid 86 and name HN )) ( segid "T22D" and resid 89 and name HB% ) 4.400 2.400 1.600 peak 575 spectrum 1 weight 0.10000E+01 volume 0.47744E-03 ppm1 8.761 ppm2 1.608 CV 1 ASSI { 577} (( segid "T22D" and resid 87 and name HN )) (( segid "T22D" and resid 89 and name HN )) 3.900 1.900 1.900 peak 577 spectrum 1 weight 0.10000E+01 volume 0.60880E-03 ppm1 8.687 ppm2 7.530 CV 1 ASSI { 578} (( segid "T22D" and resid 87 and name HN )) (( segid "T22D" and resid 86 and name HG1 )) 4.100 2.100 1.900 peak 578 spectrum 1 weight 0.10000E+01 volume 0.84866E-03 ppm1 8.692 ppm2 1.694 CV 1 ASSI { 580} (( segid "T22D" and resid 87 and name HN )) (( segid "T22D" and resid 86 and name HB1 )) 2.700 0.900 0.900 peak 580 spectrum 1 weight 0.10000E+01 volume 0.33521E-02 ppm1 8.681 ppm2 1.842 CV 1 OR { 580} (( segid "T22D" and resid 87 and name HN )) (( segid "T22D" and resid 86 and name HB2 )) ASSI { 581} (( segid "T22D" and resid 87 and name HN )) (( segid "T22D" and resid 86 and name HD1 )) 3.300 1.400 1.400 peak 581 spectrum 1 weight 0.10000E+01 volume 0.13829E-02 ppm1 8.679 ppm2 2.964 CV 1 ASSI { 582} (( segid "T22D" and resid 87 and name HN )) (( segid "T22D" and resid 87 and name HA )) 2.600 0.900 0.900 peak 582 spectrum 1 weight 0.10000E+01 volume 0.44082E-02 ppm1 8.681 ppm2 4.234 CV 1 ASSI { 583} (( segid "T22D" and resid 87 and name HN )) ( segid "T22D" and resid 87 and name HB% ) 2.200 0.600 0.600 peak 583 spectrum 1 weight 0.10000E+01 volume 0.12124E-01 ppm1 8.680 ppm2 1.511 CV 1 ASSI { 584} (( segid "T22D" and resid 87 and name HN )) (( segid "T22D" and resid 88 and name HN )) 2.600 0.900 0.900 peak 584 spectrum 1 weight 0.10000E+01 volume 0.35723E-02 ppm1 8.681 ppm2 8.329 CV 1 ASSI { 585} (( segid "T22D" and resid 88 and name HN )) (( segid "T22D" and resid 86 and name HB1 )) 3.300 1.400 1.400 peak 585 spectrum 1 weight 0.10000E+01 volume 0.88248E-03 ppm1 8.347 ppm2 1.875 CV 1 OR { 585} (( segid "T22D" and resid 88 and name HN )) (( segid "T22D" and resid 86 and name HG2 )) OR { 585} (( segid "T22D" and resid 88 and name HN )) (( segid "T22D" and resid 86 and name HB2 )) ASSI { 587} (( segid "T22D" and resid 88 and name HN )) (( segid "T22D" and resid 85 and name HB1 )) 3.600 1.600 1.600 peak 587 spectrum 1 weight 0.10000E+01 volume 0.51297E-03 ppm1 8.349 ppm2 2.973 CV 1 ASSI { 588} (( segid "T22D" and resid 88 and name HN )) (( segid "T22D" and resid 85 and name HN )) 4.000 2.000 2.000 peak 588 spectrum 1 weight 0.10000E+01 volume 0.46956E-03 ppm1 8.352 ppm2 7.726 CV 1 ASSI { 591} (( segid "T22D" and resid 88 and name HN )) (( segid "T22D" and resid 87 and name HA )) 3.100 1.200 1.200 peak 591 spectrum 1 weight 0.10000E+01 volume 0.20966E-02 ppm1 8.356 ppm2 4.286 CV 1 ASSI { 592} (( segid "T22D" and resid 88 and name HN )) ( segid "T22D" and resid 87 and name HB% ) 2.500 0.800 0.800 peak 592 spectrum 1 weight 0.10000E+01 volume 0.65988E-02 ppm1 8.353 ppm2 1.520 CV 1 ASSI { 593} (( segid "T22D" and resid 88 and name HN )) (( segid "T22D" and resid 88 and name HA )) 2.900 1.100 1.100 peak 593 spectrum 1 weight 0.10000E+01 volume 0.19821E-02 ppm1 8.347 ppm2 4.338 CV 1 ASSI { 594} (( segid "T22D" and resid 88 and name HN )) (( segid "T22D" and resid 88 and name HB1 )) 3.200 1.300 1.300 peak 594 spectrum 1 weight 0.10000E+01 volume 0.20005E-02 ppm1 8.356 ppm2 3.859 CV 1 ASSI { 595} (( segid "T22D" and resid 88 and name HN )) (( segid "T22D" and resid 88 and name HB2 )) 2.500 0.800 0.800 peak 595 spectrum 1 weight 0.10000E+01 volume 0.42531E-02 ppm1 8.355 ppm2 4.054 CV 1 ASSI { 596} (( segid "T22D" and resid 88 and name HN )) (( segid "T22D" and resid 89 and name HN )) 2.500 0.800 0.800 peak 596 spectrum 1 weight 0.10000E+01 volume 0.42710E-02 ppm1 8.355 ppm2 7.545 CV 1 ASSI { 598} (( segid "T22D" and resid 89 and name HN )) (( segid "T22D" and resid 83 and name HB1 )) 3.600 1.600 1.600 peak 598 spectrum 1 weight 0.10000E+01 volume 0.12126E-02 ppm1 7.570 ppm2 2.549 CV 1 OR { 598} (( segid "T22D" and resid 89 and name HN )) (( segid "T22D" and resid 83 and name HG2 )) ASSI { 605} (( segid "T22D" and resid 89 and name HN )) (( segid "T22D" and resid 83 and name HB2 )) 3.600 1.600 1.600 peak 605 spectrum 1 weight 0.10000E+01 volume 0.50446E-03 ppm1 7.574 ppm2 2.025 CV 1 ASSI { 606} (( segid "T22D" and resid 89 and name HN )) (( segid "T22D" and resid 85 and name HN )) 3.500 1.500 1.500 peak 606 spectrum 1 weight 0.10000E+01 volume 0.10297E-02 ppm1 7.570 ppm2 7.704 CV 1 ASSI { 608} (( segid "T22D" and resid 89 and name HN )) (( segid "T22D" and resid 88 and name HB1 )) 3.700 1.700 1.700 peak 608 spectrum 1 weight 0.10000E+01 volume 0.10629E-02 ppm1 7.571 ppm2 3.864 CV 1 ASSI { 609} (( segid "T22D" and resid 89 and name HN )) ( segid "T22D" and resid 89 and name HB% ) 2.200 0.600 0.600 peak 609 spectrum 1 weight 0.10000E+01 volume 0.81926E-02 ppm1 7.572 ppm2 1.565 CV 1 ASSI { 610} (( segid "T22D" and resid 89 and name HN )) (( segid "T22D" and resid 90 and name HN )) 2.500 0.800 0.800 peak 610 spectrum 1 weight 0.10000E+01 volume 0.43248E-02 ppm1 7.571 ppm2 8.529 CV 1 ASSI { 613} (( segid "T22D" and resid 90 and name HN )) (( segid "T22D" and resid 87 and name HA )) 2.900 1.000 1.000 peak 613 spectrum 1 weight 0.10000E+01 volume 0.25810E-02 ppm1 8.554 ppm2 4.231 CV 1 ASSI { 615} (( segid "T22D" and resid 90 and name HN )) ( segid "T22D" and resid 89 and name HB% ) 2.400 0.700 0.700 peak 615 spectrum 1 weight 0.10000E+01 volume 0.47748E-02 ppm1 8.556 ppm2 1.569 CV 1 ASSI { 616} (( segid "T22D" and resid 90 and name HN )) (( segid "T22D" and resid 90 and name HB2 )) 2.300 0.700 0.700 peak 616 spectrum 1 weight 0.10000E+01 volume 0.84191E-02 ppm1 8.557 ppm2 2.218 CV 1 OR { 616} (( segid "T22D" and resid 90 and name HN )) (( segid "T22D" and resid 90 and name HB1 )) OR { 616} (( segid "T22D" and resid 90 and name HN )) (( segid "T22D" and resid 90 and name HG1 )) ASSI { 617} (( segid "T22D" and resid 90 and name HN )) (( segid "T22D" and resid 90 and name HA )) 2.500 0.800 0.800 peak 617 spectrum 1 weight 0.10000E+01 volume 0.49070E-02 ppm1 8.556 ppm2 4.027 CV 1 ASSI { 619} (( segid "T22D" and resid 90 and name HN )) (( segid "T22D" and resid 90 and name HG2 )) 3.300 1.400 1.400 peak 619 spectrum 1 weight 0.10000E+01 volume 0.46889E-02 ppm1 8.557 ppm2 2.540 CV 1 ASSI { 620} (( segid "T22D" and resid 90 and name HN )) (( segid "T22D" and resid 91 and name HN )) 2.500 0.800 0.800 peak 620 spectrum 1 weight 0.10000E+01 volume 0.37529E-02 ppm1 8.556 ppm2 7.872 CV 1 ASSI { 621} (( segid "T22D" and resid 91 and name HN )) (( segid "T22D" and resid 91 and name HG1 )) 3.300 1.300 1.300 peak 621 spectrum 1 weight 0.10000E+01 volume 0.25395E-02 ppm1 7.894 ppm2 1.727 CV 1 ASSI { 622} (( segid "T22D" and resid 91 and name HN )) (( segid "T22D" and resid 91 and name HA )) 2.600 0.800 0.800 peak 622 spectrum 1 weight 0.10000E+01 volume 0.42256E-02 ppm1 7.891 ppm2 3.974 CV 1 ASSI { 623} (( segid "T22D" and resid 91 and name HN )) (( segid "T22D" and resid 89 and name HN )) 4.100 2.100 1.900 peak 623 spectrum 1 weight 0.10000E+01 volume 0.44454E-03 ppm1 7.904 ppm2 7.543 CV 1 ASSI { 624} (( segid "T22D" and resid 91 and name HN )) (( segid "T22D" and resid 90 and name HG2 )) 4.000 2.000 2.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.67835E-03 ppm1 7.893 ppm2 2.537 CV 1 ASSI { 627} (( segid "T22D" and resid 91 and name HN )) ( segid "T22D" and resid 92 and name HB% ) 4.600 2.600 1.400 peak 627 spectrum 1 weight 0.10000E+01 volume 0.51388E-03 ppm1 7.887 ppm2 1.416 CV 1 ASSI { 628} (( segid "T22D" and resid 91 and name HN )) (( segid "T22D" and resid 88 and name HA )) 3.300 1.400 1.400 peak 628 spectrum 1 weight 0.10000E+01 volume 0.10218E-02 ppm1 7.893 ppm2 4.306 CV 1 ASSI { 631} (( segid "T22D" and resid 91 and name HN )) (( segid "T22D" and resid 91 and name HB1 )) 3.200 1.300 1.300 peak 631 spectrum 1 weight 0.10000E+01 volume 0.42735E-02 ppm1 7.890 ppm2 2.345 CV 1 ASSI { 632} (( segid "T22D" and resid 91 and name HN )) (( segid "T22D" and resid 91 and name HB2 )) 2.100 0.600 0.600 peak 632 spectrum 1 weight 0.10000E+01 volume 0.93336E-02 ppm1 7.892 ppm2 2.063 CV 1 ASSI { 634} (( segid "T22D" and resid 92 and name HN )) (( segid "T22D" and resid 58 and name HB2 )) 3.800 1.800 1.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.70542E-03 ppm1 7.923 ppm2 3.643 CV 1 ASSI { 635} (( segid "T22D" and resid 92 and name HN )) (( segid "T22D" and resid 91 and name HG1 )) 4.400 2.400 1.600 peak 635 spectrum 1 weight 0.10000E+01 volume 0.82619E-03 ppm1 7.917 ppm2 1.739 CV 1 ASSI { 638} (( segid "T22D" and resid 92 and name HN )) ( segid "T22D" and resid 58 and name HE% ) 4.100 2.100 1.900 peak 638 spectrum 1 weight 0.10000E+01 volume 0.74095E-03 ppm1 7.910 ppm2 6.960 CV 1 ASSI { 639} (( segid "T22D" and resid 92 and name HN )) (( segid "T22D" and resid 89 and name HN )) 3.800 1.800 1.800 peak 639 spectrum 1 weight 0.10000E+01 volume 0.55805E-03 ppm1 7.916 ppm2 7.546 CV 1 ASSI { 641} (( segid "T22D" and resid 92 and name HN )) ( segid "T22D" and resid 37 and name HD1%) 4.100 2.200 1.900 peak 641 spectrum 1 weight 0.10000E+01 volume 0.59971E-03 ppm1 7.917 ppm2 0.695 CV 1 ASSI { 642} (( segid "T22D" and resid 92 and name HN )) (( segid "T22D" and resid 89 and name HA )) 3.000 1.100 1.100 peak 642 spectrum 1 weight 0.10000E+01 volume 0.12657E-02 ppm1 7.919 ppm2 4.076 CV 1 ASSI { 643} (( segid "T22D" and resid 92 and name HN )) (( segid "T22D" and resid 90 and name HN )) 3.900 1.900 1.900 peak 643 spectrum 1 weight 0.10000E+01 volume 0.60838E-03 ppm1 7.919 ppm2 8.540 CV 1 ASSI { 644} (( segid "T22D" and resid 92 and name HN )) (( segid "T22D" and resid 91 and name HA )) 3.400 1.400 1.400 peak 644 spectrum 1 weight 0.10000E+01 volume 0.12042E-02 ppm1 7.919 ppm2 3.993 CV 1 ASSI { 645} (( segid "T22D" and resid 92 and name HN )) (( segid "T22D" and resid 91 and name HB1 )) 3.500 1.500 1.500 peak 645 spectrum 1 weight 0.10000E+01 volume 0.23516E-02 ppm1 7.922 ppm2 2.320 CV 1 ASSI { 646} (( segid "T22D" and resid 92 and name HN )) (( segid "T22D" and resid 91 and name HB2 )) 2.600 0.900 0.900 peak 646 spectrum 1 weight 0.10000E+01 volume 0.20724E-02 ppm1 7.922 ppm2 2.020 CV 1 ASSI { 647} (( segid "T22D" and resid 92 and name HN )) (( segid "T22D" and resid 92 and name HA )) 2.700 0.900 0.900 peak 647 spectrum 1 weight 0.10000E+01 volume 0.32135E-02 ppm1 7.919 ppm2 1.937 CV 1 ASSI { 648} (( segid "T22D" and resid 92 and name HN )) ( segid "T22D" and resid 92 and name HB% ) 2.200 0.600 0.600 peak 648 spectrum 1 weight 0.10000E+01 volume 0.88315E-02 ppm1 7.920 ppm2 1.401 CV 1 ASSI { 649} (( segid "T22D" and resid 92 and name HN )) (( segid "T22D" and resid 93 and name HN )) 2.600 0.900 0.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.31807E-02 ppm1 7.919 ppm2 7.152 CV 1 ASSI { 652} (( segid "T22D" and resid 93 and name HN )) ( segid "T22D" and resid 37 and name HD1%) 3.700 1.700 1.700 peak 652 spectrum 1 weight 0.10000E+01 volume 0.59787E-03 ppm1 7.179 ppm2 0.666 CV 1 ASSI { 653} (( segid "T22D" and resid 93 and name HN )) (( segid "T22D" and resid 90 and name HA )) 3.100 1.200 1.200 peak 653 spectrum 1 weight 0.10000E+01 volume 0.16057E-02 ppm1 7.176 ppm2 4.033 CV 1 ASSI { 655} (( segid "T22D" and resid 93 and name HN )) (( segid "T22D" and resid 92 and name HA )) 3.500 1.500 1.500 peak 655 spectrum 1 weight 0.10000E+01 volume 0.10216E-02 ppm1 7.180 ppm2 1.952 CV 1 ASSI { 656} (( segid "T22D" and resid 93 and name HN )) ( segid "T22D" and resid 92 and name HB% ) 2.900 1.100 1.100 peak 656 spectrum 1 weight 0.10000E+01 volume 0.20324E-02 ppm1 7.175 ppm2 1.400 CV 1 ASSI { 657} (( segid "T22D" and resid 93 and name HN )) (( segid "T22D" and resid 93 and name HA )) 2.800 1.000 1.000 peak 657 spectrum 1 weight 0.10000E+01 volume 0.24787E-02 ppm1 7.176 ppm2 4.237 CV 1 ASSI { 658} (( segid "T22D" and resid 93 and name HN )) (( segid "T22D" and resid 93 and name HB1 )) 3.500 1.600 1.600 peak 658 spectrum 1 weight 0.10000E+01 volume 0.26084E-02 ppm1 7.177 ppm2 3.035 CV 1 ASSI { 659} (( segid "T22D" and resid 93 and name HN )) (( segid "T22D" and resid 93 and name HB2 )) 2.400 0.700 0.700 peak 659 spectrum 1 weight 0.10000E+01 volume 0.39687E-02 ppm1 7.176 ppm2 2.808 CV 1 ASSI { 660} (( segid "T22D" and resid 93 and name HN )) (( segid "T22D" and resid 94 and name HN )) 2.500 0.800 0.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.40437E-02 ppm1 7.177 ppm2 7.002 CV 1 ASSI { 661} (( segid "T22D" and resid 94 and name HN )) (( segid "T22D" and resid 94 and name HB1 )) 2.300 0.700 0.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.70363E-02 ppm1 7.041 ppm2 1.828 CV 1 ASSI { 662} (( segid "T22D" and resid 94 and name HN )) ( segid "T22D" and resid 92 and name HB% ) 3.000 3.000 3.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.58519E-03 ppm1 7.036 ppm2 1.384 CV 1 ASSI { 663} (( segid "T22D" and resid 114 and name HN )) (( segid "T22D" and resid 112 and name HA )) 3.800 1.800 1.800 peak 663 spectrum 1 weight 0.10000E+01 volume 0.56234E-03 ppm1 7.044 ppm2 3.678 CV 1 ASSI { 664} (( segid "T22D" and resid 94 and name HN )) (( segid "T22D" and resid 95 and name HB1 )) 4.800 2.800 1.200 peak 664 spectrum 1 weight 0.10000E+01 volume 0.41359E-03 ppm1 7.031 ppm2 2.506 CV 1 ASSI { 666} (( segid "T22D" and resid 94 and name HN )) (( segid "T22D" and resid 93 and name HA )) 3.200 1.200 1.200 peak 666 spectrum 1 weight 0.10000E+01 volume 0.14666E-02 ppm1 7.040 ppm2 4.216 CV 1 ASSI { 667} (( segid "T22D" and resid 94 and name HN )) (( segid "T22D" and resid 93 and name HB1 )) 4.000 2.100 2.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.69424E-03 ppm1 7.035 ppm2 3.040 CV 1 ASSI { 668} (( segid "T22D" and resid 94 and name HN )) (( segid "T22D" and resid 93 and name HB2 )) 3.300 1.400 1.400 peak 668 spectrum 1 weight 0.10000E+01 volume 0.93590E-03 ppm1 7.041 ppm2 2.803 CV 1 ASSI { 669} (( segid "T22D" and resid 94 and name HN )) (( segid "T22D" and resid 94 and name HA )) 2.500 0.800 0.800 peak 669 spectrum 1 weight 0.10000E+01 volume 0.54245E-02 ppm1 7.041 ppm2 3.884 CV 1 ASSI { 670} (( segid "T22D" and resid 94 and name HN )) (( segid "T22D" and resid 94 and name HB2 )) 2.300 0.600 0.600 peak 670 spectrum 1 weight 0.10000E+01 volume 0.76693E-02 ppm1 7.041 ppm2 1.892 CV 1 ASSI { 671} (( segid "T22D" and resid 94 and name HN )) (( segid "T22D" and resid 94 and name HG2 )) 3.700 1.700 1.700 peak 671 spectrum 1 weight 0.10000E+01 volume 0.23806E-02 ppm1 7.038 ppm2 1.562 CV 1 OR { 671} (( segid "T22D" and resid 94 and name HN )) (( segid "T22D" and resid 94 and name HG1 )) ASSI { 672} (( segid "T22D" and resid 94 and name HN )) (( segid "T22D" and resid 95 and name HN )) 2.700 0.900 0.900 peak 672 spectrum 1 weight 0.10000E+01 volume 0.27124E-02 ppm1 7.038 ppm2 7.773 CV 1 ASSI { 673} (( segid "T22D" and resid 95 and name HN )) (( segid "T22D" and resid 96 and name HD2 )) 4.500 2.600 1.500 peak 673 spectrum 1 weight 0.10000E+01 volume 0.49074E-03 ppm1 7.798 ppm2 4.081 CV 1 ASSI { 675} (( segid "T22D" and resid 95 and name HN )) (( segid "T22D" and resid 94 and name HA )) 3.300 1.300 1.300 peak 675 spectrum 1 weight 0.10000E+01 volume 0.16040E-02 ppm1 7.798 ppm2 3.890 CV 1 ASSI { 676} (( segid "T22D" and resid 95 and name HN )) (( segid "T22D" and resid 94 and name HB1 )) 2.600 0.800 0.800 peak 676 spectrum 1 weight 0.10000E+01 volume 0.49162E-02 ppm1 7.796 ppm2 1.828 CV 1 OR { 676} (( segid "T22D" and resid 95 and name HN )) (( segid "T22D" and resid 94 and name HB2 )) ASSI { 677} (( segid "T22D" and resid 95 and name HN )) (( segid "T22D" and resid 94 and name HG1 )) 3.800 1.800 1.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.11118E-02 ppm1 7.795 ppm2 1.534 CV 1 ASSI { 678} (( segid "T22D" and resid 95 and name HN )) (( segid "T22D" and resid 95 and name HA )) 3.000 1.100 1.100 peak 678 spectrum 1 weight 0.10000E+01 volume 0.18583E-02 ppm1 7.798 ppm2 5.131 CV 1 ASSI { 679} (( segid "T22D" and resid 95 and name HN )) (( segid "T22D" and resid 95 and name HB1 )) 2.600 0.800 0.800 peak 679 spectrum 1 weight 0.10000E+01 volume 0.41764E-02 ppm1 7.798 ppm2 2.474 CV 1 ASSI { 680} (( segid "T22D" and resid 95 and name HN )) (( segid "T22D" and resid 95 and name HB2 )) 2.700 0.900 0.900 peak 680 spectrum 1 weight 0.10000E+01 volume 0.53870E-02 ppm1 7.797 ppm2 2.813 CV 1 ASSI { 682} (( segid "T22D" and resid 97 and name HN )) (( segid "T22D" and resid 95 and name HA )) 3.800 1.800 1.800 peak 682 spectrum 1 weight 0.10000E+01 volume 0.96301E-03 ppm1 8.177 ppm2 5.141 CV 1 ASSI { 683} (( segid "T22D" and resid 97 and name HN )) (( segid "T22D" and resid 96 and name HD1 )) 3.600 1.600 1.600 peak 683 spectrum 1 weight 0.10000E+01 volume 0.21102E-02 ppm1 8.171 ppm2 3.981 CV 1 ASSI { 684} (( segid "T22D" and resid 97 and name HN )) (( segid "T22D" and resid 96 and name HD2 )) 2.900 1.100 1.100 peak 684 spectrum 1 weight 0.10000E+01 volume 0.19524E-02 ppm1 8.175 ppm2 4.068 CV 1 ASSI { 685} (( segid "T22D" and resid 97 and name HN )) (( segid "T22D" and resid 96 and name HG2 )) 2.700 0.900 0.900 peak 685 spectrum 1 weight 0.10000E+01 volume 0.33141E-02 ppm1 8.174 ppm2 2.087 CV 1 OR { 685} (( segid "T22D" and resid 97 and name HN )) (( segid "T22D" and resid 96 and name HG1 )) ASSI { 686} (( segid "T22D" and resid 97 and name HN )) (( segid "T22D" and resid 97 and name HA )) 2.800 1.000 1.000 peak 686 spectrum 1 weight 0.10000E+01 volume 0.20560E-02 ppm1 8.175 ppm2 6.015 CV 1 ASSI { 687} (( segid "T22D" and resid 97 and name HN )) (( segid "T22D" and resid 97 and name HB1 )) 3.100 1.200 1.200 peak 687 spectrum 1 weight 0.10000E+01 volume 0.44295E-02 ppm1 8.176 ppm2 2.435 CV 1 ASSI { 688} (( segid "T22D" and resid 97 and name HN )) (( segid "T22D" and resid 97 and name HB2 )) 2.800 1.000 1.000 peak 688 spectrum 1 weight 0.10000E+01 volume 0.22634E-02 ppm1 8.179 ppm2 2.803 CV 1 ASSI { 690} (( segid "T22D" and resid 97 and name HN )) (( segid "T22D" and resid 98 and name HD1 )) 2.700 0.900 0.900 peak 690 spectrum 1 weight 0.10000E+01 volume 0.19113E-02 ppm1 8.175 ppm2 3.570 CV 1 ASSI { 691} (( segid "T22D" and resid 97 and name HN )) (( segid "T22D" and resid 98 and name HD2 )) 4.200 2.200 1.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.81409E-03 ppm1 8.179 ppm2 3.175 CV 1 ASSI { 696} (( segid "T22D" and resid 97 and name HD21)) (( segid "T22D" and resid 97 and name HA )) 2.400 0.700 0.700 peak 696 spectrum 1 weight 0.10000E+01 volume 0.25611E-02 ppm1 8.152 ppm2 6.029 CV 1 ASSI { 697} (( segid "T22D" and resid 97 and name HD22)) (( segid "T22D" and resid 97 and name HA )) 4.400 2.400 1.600 peak 697 spectrum 1 weight 0.10000E+01 volume 0.17926E-02 ppm1 6.905 ppm2 6.029 CV 1 ASSI { 698} (( segid "T22D" and resid 97 and name HD21)) (( segid "T22D" and resid 97 and name HB1 )) 3.300 1.400 1.400 peak 698 spectrum 1 weight 0.10000E+01 volume 0.11757E-02 ppm1 8.148 ppm2 2.426 CV 1 ASSI { 699} (( segid "T22D" and resid 97 and name HD22)) (( segid "T22D" and resid 97 and name HB1 )) 4.300 2.300 1.700 peak 699 spectrum 1 weight 0.10000E+01 volume 0.69900E-03 ppm1 6.903 ppm2 2.426 CV 1 ASSI { 700} (( segid "T22D" and resid 97 and name HD21)) (( segid "T22D" and resid 97 and name HB2 )) 3.200 1.300 1.300 peak 700 spectrum 1 weight 0.10000E+01 volume 0.23074E-02 ppm1 8.152 ppm2 2.792 CV 1 ASSI { 701} (( segid "T22D" and resid 97 and name HD22)) (( segid "T22D" and resid 97 and name HB2 )) 3.900 1.900 1.900 peak 701 spectrum 1 weight 0.10000E+01 volume 0.14115E-02 ppm1 6.905 ppm2 2.804 CV 1 ASSI { 703} (( segid "T22D" and resid 97 and name HD21)) (( segid "T22D" and resid 98 and name HD2 )) 4.600 2.700 1.400 peak 703 spectrum 1 weight 0.10000E+01 volume 0.42740E-03 ppm1 8.147 ppm2 3.132 CV 1 ASSI { 705} (( segid "T22D" and resid 97 and name HD22)) (( segid "T22D" and resid 106 and name HA )) 3.500 1.600 1.600 peak 705 spectrum 1 weight 0.10000E+01 volume 0.16392E-02 ppm1 6.905 ppm2 5.408 CV 1 ASSI { 706} (( segid "T22D" and resid 99 and name HN )) (( segid "T22D" and resid 98 and name HB2 )) 3.100 1.200 1.200 peak 706 spectrum 1 weight 0.10000E+01 volume 0.19724E-02 ppm1 8.085 ppm2 1.586 CV 1 ASSI { 707} (( segid "T22D" and resid 99 and name HN )) (( segid "T22D" and resid 98 and name HA )) 2.200 0.600 0.600 peak 707 spectrum 1 weight 0.10000E+01 volume 0.87481E-02 ppm1 8.088 ppm2 4.460 CV 1 ASSI { 708} (( segid "T22D" and resid 99 and name HN )) (( segid "T22D" and resid 98 and name HB1 )) 4.000 2.000 2.000 peak 708 spectrum 1 weight 0.10000E+01 volume 0.14064E-02 ppm1 8.087 ppm2 2.121 CV 1 ASSI { 709} (( segid "T22D" and resid 99 and name HN )) (( segid "T22D" and resid 99 and name HA )) 2.700 0.900 0.900 peak 709 spectrum 1 weight 0.10000E+01 volume 0.22881E-02 ppm1 8.085 ppm2 4.143 CV 1 ASSI { 710} (( segid "T22D" and resid 99 and name HN )) (( segid "T22D" and resid 99 and name HB )) 2.300 0.700 0.700 peak 710 spectrum 1 weight 0.10000E+01 volume 0.68945E-02 ppm1 8.086 ppm2 1.783 CV 1 ASSI { 711} (( segid "T22D" and resid 99 and name HN )) ( segid "T22D" and resid 99 and name HD1%) 4.000 2.000 2.000 peak 711 spectrum 1 weight 0.10000E+01 volume 0.93469E-03 ppm1 8.085 ppm2 0.718 CV 1 ASSI { 712} (( segid "T22D" and resid 99 and name HN )) (( segid "T22D" and resid 99 and name HG11)) 3.700 1.700 1.700 peak 712 spectrum 1 weight 0.10000E+01 volume 0.29139E-02 ppm1 8.085 ppm2 1.479 CV 1 ASSI { 713} (( segid "T22D" and resid 99 and name HN )) (( segid "T22D" and resid 99 and name HG12)) 2.600 0.800 0.800 peak 713 spectrum 1 weight 0.10000E+01 volume 0.23107E-02 ppm1 8.088 ppm2 1.116 CV 1 ASSI { 714} (( segid "T22D" and resid 99 and name HN )) ( segid "T22D" and resid 99 and name HG2%) 4.000 2.000 2.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.13552E-02 ppm1 8.084 ppm2 0.531 CV 1 ASSI { 715} (( segid "T22D" and resid 100 and name HN )) ( segid "T22D" and resid 99 and name HG2%) 3.000 1.200 1.200 peak 715 spectrum 1 weight 0.10000E+01 volume 0.24532E-02 ppm1 8.356 ppm2 0.551 CV 1 ASSI { 717} (( segid "T22D" and resid 100 and name HN )) (( segid "T22D" and resid 103 and name HB2 )) 3.800 1.800 1.800 peak 717 spectrum 1 weight 0.10000E+01 volume 0.68753E-03 ppm1 8.353 ppm2 1.499 CV 1 ASSI { 721} (( segid "T22D" and resid 100 and name HN )) (( segid "T22D" and resid 99 and name HN )) 4.800 2.900 1.200 peak 721 spectrum 1 weight 0.10000E+01 volume 0.28335E-03 ppm1 8.358 ppm2 8.106 CV 1 ASSI { 722} (( segid "T22D" and resid 100 and name HN )) (( segid "T22D" and resid 99 and name HA )) 2.100 0.500 0.500 peak 722 spectrum 1 weight 0.10000E+01 volume 0.97606E-02 ppm1 8.356 ppm2 4.148 CV 1 ASSI { 723} (( segid "T22D" and resid 100 and name HN )) (( segid "T22D" and resid 100 and name HA )) 3.100 1.200 1.200 peak 723 spectrum 1 weight 0.10000E+01 volume 0.12447E-02 ppm1 8.358 ppm2 3.785 CV 1 ASSI { 724} (( segid "T22D" and resid 100 and name HN )) (( segid "T22D" and resid 100 and name HB )) 2.600 0.900 0.900 peak 724 spectrum 1 weight 0.10000E+01 volume 0.32376E-02 ppm1 8.354 ppm2 1.306 CV 1 ASSI { 725} (( segid "T22D" and resid 100 and name HN )) ( segid "T22D" and resid 100 and name HD1%) 4.700 2.700 1.300 peak 725 spectrum 1 weight 0.10000E+01 volume 0.46751E-03 ppm1 8.361 ppm2 0.230 CV 1 ASSI { 727} (( segid "T22D" and resid 100 and name HN )) (( segid "T22D" and resid 103 and name HN )) 3.000 1.100 1.100 peak 727 spectrum 1 weight 0.10000E+01 volume 0.16992E-02 ppm1 8.360 ppm2 7.764 CV 1 ASSI { 730} (( segid "T22D" and resid 101 and name HN )) ( segid "T22D" and resid 100 and name HD1%) 3.200 3.200 2.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.40829E-03 ppm1 8.952 ppm2 0.247 CV 1 ASSI { 731} (( segid "T22D" and resid 101 and name HN )) (( segid "T22D" and resid 100 and name HN )) 4.200 2.200 1.800 peak 731 spectrum 1 weight 0.10000E+01 volume 0.54554E-03 ppm1 8.959 ppm2 8.327 CV 1 ASSI { 732} (( segid "T22D" and resid 101 and name HN )) ( segid "T22D" and resid 50 and name HG2%) 4.000 2.000 2.000 peak 732 spectrum 1 weight 0.10000E+01 volume 0.48373E-03 ppm1 8.950 ppm2 1.278 CV 1 ASSI { 733} (( segid "T22D" and resid 101 and name HN )) (( segid "T22D" and resid 100 and name HA )) 2.100 0.600 0.600 peak 733 spectrum 1 weight 0.10000E+01 volume 0.89916E-02 ppm1 8.957 ppm2 3.765 CV 1 ASSI { 734} (( segid "T22D" and resid 101 and name HN )) (( segid "T22D" and resid 100 and name HG11)) 5.100 3.300 0.900 peak 734 spectrum 1 weight 0.10000E+01 volume 0.47973E-03 ppm1 8.957 ppm2 0.777 CV 1 ASSI { 735} (( segid "T22D" and resid 101 and name HN )) ( segid "T22D" and resid 100 and name HG2%) 2.900 1.000 1.000 peak 735 spectrum 1 weight 0.10000E+01 volume 0.29843E-02 ppm1 8.957 ppm2 0.439 CV 1 ASSI { 736} (( segid "T22D" and resid 101 and name HN )) (( segid "T22D" and resid 101 and name HA )) 2.200 0.600 0.600 peak 736 spectrum 1 weight 0.10000E+01 volume 0.86480E-02 ppm1 8.956 ppm2 4.218 CV 1 ASSI { 737} (( segid "T22D" and resid 101 and name HN )) (( segid "T22D" and resid 101 and name HB1 )) 3.900 1.900 1.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.96580E-03 ppm1 8.950 ppm2 2.227 CV 1 ASSI { 738} (( segid "T22D" and resid 101 and name HN )) (( segid "T22D" and resid 101 and name HB2 )) 3.700 1.700 1.700 peak 738 spectrum 1 weight 0.10000E+01 volume 0.62189E-03 ppm1 8.958 ppm2 3.031 CV 1 ASSI { 739} (( segid "T22D" and resid 101 and name HN )) (( segid "T22D" and resid 102 and name HN )) 2.900 1.000 1.000 peak 739 spectrum 1 weight 0.10000E+01 volume 0.19072E-02 ppm1 8.955 ppm2 7.962 CV 1 ASSI { 740} (( segid "T22D" and resid 101 and name HN )) (( segid "T22D" and resid 102 and name HA1 )) 4.800 2.900 1.200 peak 740 spectrum 1 weight 0.10000E+01 volume 0.57306E-03 ppm1 8.955 ppm2 3.418 CV 1 ASSI { 742} (( segid "T22D" and resid 102 and name HN )) ( segid "T22D" and resid 99 and name HD1%) 4.500 2.500 1.500 peak 742 spectrum 1 weight 0.10000E+01 volume 0.92347E-03 ppm1 7.985 ppm2 0.738 CV 1 ASSI { 743} (( segid "T22D" and resid 102 and name HN )) ( segid "T22D" and resid 99 and name HG2%) 2.600 0.800 0.800 peak 743 spectrum 1 weight 0.10000E+01 volume 0.41160E-02 ppm1 7.986 ppm2 0.553 CV 1 ASSI { 744} (( segid "T22D" and resid 102 and name HN )) (( segid "T22D" and resid 100 and name HN )) 3.800 1.800 1.800 peak 744 spectrum 1 weight 0.10000E+01 volume 0.56009E-03 ppm1 7.983 ppm2 8.327 CV 1 ASSI { 745} (( segid "T22D" and resid 102 and name HN )) (( segid "T22D" and resid 100 and name HA )) 4.100 2.100 1.900 peak 745 spectrum 1 weight 0.10000E+01 volume 0.56472E-03 ppm1 7.983 ppm2 3.796 CV 1 ASSI { 747} (( segid "T22D" and resid 102 and name HN )) (( segid "T22D" and resid 101 and name HA )) 2.600 0.900 0.900 peak 747 spectrum 1 weight 0.10000E+01 volume 0.45463E-02 ppm1 7.985 ppm2 4.211 CV 1 ASSI { 748} (( segid "T22D" and resid 102 and name HN )) (( segid "T22D" and resid 102 and name HA1 )) 2.700 0.900 0.900 peak 748 spectrum 1 weight 0.10000E+01 volume 0.63398E-02 ppm1 7.985 ppm2 3.444 CV 1 ASSI { 749} (( segid "T22D" and resid 102 and name HN )) (( segid "T22D" and resid 102 and name HA2 )) 2.400 0.700 0.700 peak 749 spectrum 1 weight 0.10000E+01 volume 0.47281E-02 ppm1 7.986 ppm2 4.145 CV 1 ASSI { 750} (( segid "T22D" and resid 102 and name HN )) (( segid "T22D" and resid 103 and name HN )) 2.800 1.000 1.000 peak 750 spectrum 1 weight 0.10000E+01 volume 0.24631E-02 ppm1 7.984 ppm2 7.787 CV 1 ASSI { 751} (( segid "T22D" and resid 103 and name HN )) (( segid "T22D" and resid 43 and name HG2 )) 4.300 2.300 1.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.68594E-03 ppm1 7.796 ppm2 1.801 CV 1 ASSI { 752} (( segid "T22D" and resid 103 and name HN )) ( segid "T22D" and resid 99 and name HG2%) 3.000 1.100 1.100 peak 752 spectrum 1 weight 0.10000E+01 volume 0.24668E-02 ppm1 7.798 ppm2 0.538 CV 1 ASSI { 756} (( segid "T22D" and resid 103 and name HN )) (( segid "T22D" and resid 102 and name HA1 )) 3.500 1.500 1.500 peak 756 spectrum 1 weight 0.10000E+01 volume 0.10133E-02 ppm1 7.795 ppm2 3.434 CV 1 ASSI { 757} (( segid "T22D" and resid 103 and name HN )) (( segid "T22D" and resid 102 and name HA2 )) 3.200 1.300 1.300 peak 757 spectrum 1 weight 0.10000E+01 volume 0.17324E-02 ppm1 7.798 ppm2 4.144 CV 1 ASSI { 758} (( segid "T22D" and resid 103 and name HN )) (( segid "T22D" and resid 103 and name HA )) 3.000 1.100 1.100 peak 758 spectrum 1 weight 0.10000E+01 volume 0.18025E-02 ppm1 7.798 ppm2 4.602 CV 1 ASSI { 759} (( segid "T22D" and resid 103 and name HN )) (( segid "T22D" and resid 103 and name HB1 )) 2.800 1.000 1.000 peak 759 spectrum 1 weight 0.10000E+01 volume 0.19066E-02 ppm1 7.797 ppm2 1.665 CV 1 ASSI { 760} (( segid "T22D" and resid 103 and name HN )) (( segid "T22D" and resid 103 and name HB2 )) 3.100 1.200 1.200 peak 760 spectrum 1 weight 0.10000E+01 volume 0.17110E-02 ppm1 7.797 ppm2 1.477 CV 1 ASSI { 761} (( segid "T22D" and resid 103 and name HN )) ( segid "T22D" and resid 105 and name HB% ) 4.200 2.200 1.800 peak 761 spectrum 1 weight 0.10000E+01 volume 0.43661E-03 ppm1 7.801 ppm2 1.287 CV 1 ASSI { 765} (( segid "T22D" and resid 103 and name HE )) (( segid "T22D" and resid 103 and name HB2 )) 5.200 3.400 0.800 peak 765 spectrum 1 weight 0.10000E+01 volume 0.28868E-03 ppm1 6.730 ppm2 1.498 CV 1 ASSI { 766} (( segid "T22D" and resid 103 and name HE )) (( segid "T22D" and resid 103 and name HD1 )) 3.700 1.700 1.700 peak 766 spectrum 1 weight 0.10000E+01 volume 0.50980E-03 ppm1 6.737 ppm2 2.740 CV 1 ASSI { 767} (( segid "T22D" and resid 103 and name HE )) (( segid "T22D" and resid 103 and name HD2 )) 4.100 2.100 1.900 peak 767 spectrum 1 weight 0.10000E+01 volume 0.28606E-03 ppm1 6.737 ppm2 2.908 CV 1 ASSI { 768} (( segid "T22D" and resid 103 and name HE )) (( segid "T22D" and resid 103 and name HG2 )) 3.800 1.800 1.800 peak 768 spectrum 1 weight 0.10000E+01 volume 0.32824E-03 ppm1 6.732 ppm2 1.772 CV 1 ASSI { 769} (( segid "T22D" and resid 104 and name HN )) (( segid "T22D" and resid 103 and name HG1 )) 3.300 1.400 1.400 peak 769 spectrum 1 weight 0.10000E+01 volume 0.73870E-03 ppm1 8.715 ppm2 1.454 CV 1 ASSI { 770} (( segid "T22D" and resid 104 and name HN )) (( segid "T22D" and resid 100 and name HN )) 4.000 2.000 2.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.52147E-03 ppm1 8.714 ppm2 8.394 CV 1 ASSI { 771} (( segid "T22D" and resid 104 and name HN )) (( segid "T22D" and resid 103 and name HA )) 2.800 0.900 0.900 peak 771 spectrum 1 weight 0.10000E+01 volume 0.21891E-02 ppm1 8.707 ppm2 4.597 CV 1 ASSI { 773} (( segid "T22D" and resid 104 and name HN )) (( segid "T22D" and resid 104 and name HB1 )) 2.900 1.100 1.100 peak 773 spectrum 1 weight 0.10000E+01 volume 0.22444E-02 ppm1 8.710 ppm2 1.633 CV 1 OR { 773} (( segid "T22D" and resid 104 and name HN )) (( segid "T22D" and resid 104 and name HB2 )) OR { 773} (( segid "T22D" and resid 104 and name HN )) (( segid "T22D" and resid 104 and name HG1 )) OR { 773} (( segid "T22D" and resid 104 and name HN )) (( segid "T22D" and resid 104 and name HG2 )) OR { 773} (( segid "T22D" and resid 104 and name HN )) (( segid "T22D" and resid 104 and name HE1 )) OR { 773} (( segid "T22D" and resid 104 and name HN )) (( segid "T22D" and resid 104 and name HD2 )) ASSI { 774} (( segid "T22D" and resid 104 and name HN )) (( segid "T22D" and resid 104 and name HA )) 3.400 1.400 1.400 peak 774 spectrum 1 weight 0.10000E+01 volume 0.68932E-03 ppm1 8.717 ppm2 4.135 CV 1 ASSI { 778} (( segid "T22D" and resid 105 and name HN )) (( segid "T22D" and resid 104 and name HG2 )) 3.500 1.500 1.500 peak 778 spectrum 1 weight 0.10000E+01 volume 0.10617E-02 ppm1 8.995 ppm2 1.625 CV 1 OR { 778} (( segid "T22D" and resid 105 and name HN )) (( segid "T22D" and resid 104 and name HG1 )) OR { 778} (( segid "T22D" and resid 105 and name HN )) (( segid "T22D" and resid 104 and name HB1 )) OR { 778} (( segid "T22D" and resid 105 and name HN )) (( segid "T22D" and resid 104 and name HB2 )) ASSI { 779} (( segid "T22D" and resid 105 and name HN )) (( segid "T22D" and resid 104 and name HA )) 2.300 0.600 0.600 peak 779 spectrum 1 weight 0.10000E+01 volume 0.58724E-02 ppm1 8.993 ppm2 4.134 CV 1 ASSI { 780} (( segid "T22D" and resid 105 and name HN )) ( segid "T22D" and resid 105 and name HB% ) 2.600 0.900 0.900 peak 780 spectrum 1 weight 0.10000E+01 volume 0.35664E-02 ppm1 8.993 ppm2 1.297 CV 1 ASSI { 784} (( segid "T22D" and resid 106 and name HN )) ( segid "T22D" and resid 39 and name HG1%) 3.700 1.700 1.700 peak 784 spectrum 1 weight 0.10000E+01 volume 0.64587E-03 ppm1 8.218 ppm2 0.656 CV 1 ASSI { 785} (( segid "T22D" and resid 106 and name HN )) (( segid "T22D" and resid 40 and name HN )) 2.800 1.000 1.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.19931E-02 ppm1 8.213 ppm2 8.975 CV 1 ASSI { 786} (( segid "T22D" and resid 106 and name HN )) (( segid "T22D" and resid 105 and name HA )) 2.400 0.700 0.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.49612E-02 ppm1 8.216 ppm2 4.740 CV 1 ASSI { 787} (( segid "T22D" and resid 106 and name HN )) ( segid "T22D" and resid 105 and name HB% ) 2.500 0.800 0.800 peak 787 spectrum 1 weight 0.10000E+01 volume 0.56167E-02 ppm1 8.212 ppm2 1.293 CV 1 ASSI { 788} (( segid "T22D" and resid 106 and name HN )) (( segid "T22D" and resid 106 and name HA )) 3.000 1.200 1.200 peak 788 spectrum 1 weight 0.10000E+01 volume 0.15199E-02 ppm1 8.215 ppm2 5.417 CV 1 ASSI { 790} (( segid "T22D" and resid 106 and name HN )) ( segid "T22D" and resid 107 and name HG1%) 4.600 2.600 1.400 peak 790 spectrum 1 weight 0.10000E+01 volume 0.43824E-03 ppm1 8.223 ppm2 1.051 CV 1 ASSI { 793} (( segid "T22D" and resid 106 and name HD21)) (( segid "3T5T" and resid 3 and name H73 )) 4.200 2.200 1.800 peak 793 spectrum 1 weight 0.10000E+01 volume 0.40725E-03 ppm1 8.184 ppm2 1.913 CV 1 OR { 793} (( segid "T22D" and resid 106 and name HD21)) (( segid "3T5T" and resid 3 and name H72 )) OR { 793} (( segid "T22D" and resid 106 and name HD21)) (( segid "3T5T" and resid 3 and name H71 )) ASSI { 794} (( segid "T22D" and resid 106 and name HD22)) (( segid "3T5T" and resid 3 and name H73 )) 3.800 1.800 1.800 peak 794 spectrum 1 weight 0.10000E+01 volume 0.65704E-03 ppm1 7.151 ppm2 1.881 CV 1 OR { 794} (( segid "T22D" and resid 106 and name HD22)) (( segid "3T5T" and resid 3 and name H71 )) OR { 794} (( segid "T22D" and resid 106 and name HD22)) (( segid "3T5T" and resid 3 and name H72 )) ASSI { 795} (( segid "T22D" and resid 106 and name HD21)) (( segid "T22D" and resid 106 and name HB2 )) 3.000 1.200 1.200 peak 795 spectrum 1 weight 0.10000E+01 volume 0.13670E-02 ppm1 8.181 ppm2 2.758 CV 1 OR { 795} (( segid "T22D" and resid 106 and name HD21)) (( segid "T22D" and resid 106 and name HB1 )) ASSI { 797} (( segid "T22D" and resid 106 and name HD22)) (( segid "T22D" and resid 106 and name HD21)) 2.200 0.600 0.600 peak 797 spectrum 1 weight 0.10000E+01 volume 0.50292E-02 ppm1 7.150 ppm2 8.152 CV 1 ASSI { 799} (( segid "T22D" and resid 107 and name HN )) (( segid "T22D" and resid 96 and name HB2 )) 3.500 1.500 1.500 peak 799 spectrum 1 weight 0.10000E+01 volume 0.55946E-03 ppm1 8.996 ppm2 2.186 CV 1 ASSI { 802} (( segid "T22D" and resid 107 and name HN )) (( segid "T22D" and resid 96 and name HA )) 3.200 1.300 1.300 peak 802 spectrum 1 weight 0.10000E+01 volume 0.11550E-02 ppm1 8.989 ppm2 4.682 CV 1 ASSI { 803} (( segid "T22D" and resid 107 and name HN )) (( segid "T22D" and resid 97 and name HA )) 4.000 2.000 2.000 peak 803 spectrum 1 weight 0.10000E+01 volume 0.53344E-03 ppm1 8.988 ppm2 6.043 CV 1 ASSI { 804} (( segid "T22D" and resid 107 and name HN )) (( segid "T22D" and resid 97 and name HD21)) 3.300 1.400 1.400 peak 804 spectrum 1 weight 0.10000E+01 volume 0.13852E-02 ppm1 8.990 ppm2 8.156 CV 1 ASSI { 805} (( segid "T22D" and resid 107 and name HN )) (( segid "T22D" and resid 97 and name HD22)) 3.200 3.200 2.800 peak 805 spectrum 1 weight 0.10000E+01 volume 0.38979E-03 ppm1 8.978 ppm2 6.867 CV 1 ASSI { 806} (( segid "T22D" and resid 107 and name HN )) (( segid "T22D" and resid 106 and name HB1 )) 3.700 1.700 1.700 peak 806 spectrum 1 weight 0.10000E+01 volume 0.12835E-02 ppm1 8.988 ppm2 2.782 CV 1 OR { 806} (( segid "T22D" and resid 107 and name HN )) (( segid "T22D" and resid 106 and name HB2 )) ASSI { 807} (( segid "T22D" and resid 107 and name HN )) (( segid "T22D" and resid 107 and name HA )) 3.100 1.200 1.200 peak 807 spectrum 1 weight 0.10000E+01 volume 0.11164E-02 ppm1 8.996 ppm2 5.195 CV 1 ASSI { 809} (( segid "T22D" and resid 107 and name HN )) (( segid "T22D" and resid 107 and name HB )) 2.500 0.800 0.800 peak 809 spectrum 1 weight 0.10000E+01 volume 0.39720E-02 ppm1 8.990 ppm2 1.997 CV 1 ASSI { 810} (( segid "T22D" and resid 107 and name HN )) ( segid "T22D" and resid 107 and name HG2%) 2.700 0.900 0.900 peak 810 spectrum 1 weight 0.10000E+01 volume 0.33027E-02 ppm1 8.991 ppm2 1.010 CV 1 OR { 810} (( segid "T22D" and resid 107 and name HN )) ( segid "T22D" and resid 107 and name HG1%) ASSI { 811} (( segid "T22D" and resid 108 and name HN )) (( segid "T22D" and resid 107 and name HN )) 4.200 2.300 1.800 peak 811 spectrum 1 weight 0.10000E+01 volume 0.46318E-03 ppm1 8.700 ppm2 8.978 CV 1 ASSI { 812} (( segid "T22D" and resid 108 and name HN )) ( segid "T22D" and resid 38 and name HD% ) 4.100 2.100 1.900 peak 812 spectrum 1 weight 0.10000E+01 volume 0.37155E-03 ppm1 8.687 ppm2 6.686 CV 1 ASSI { 814} (( segid "T22D" and resid 108 and name HN )) ( segid "T22D" and resid 37 and name HG2%) 2.700 0.900 0.900 peak 814 spectrum 1 weight 0.10000E+01 volume 0.33173E-02 ppm1 8.692 ppm2 0.661 CV 1 ASSI { 815} (( segid "T22D" and resid 108 and name HN )) (( segid "T22D" and resid 38 and name HN )) 3.100 1.200 1.200 peak 815 spectrum 1 weight 0.10000E+01 volume 0.13539E-02 ppm1 8.694 ppm2 9.232 CV 1 ASSI { 816} (( segid "T22D" and resid 108 and name HN )) (( segid "T22D" and resid 39 and name HA )) 3.900 1.900 1.900 peak 816 spectrum 1 weight 0.10000E+01 volume 0.64916E-03 ppm1 8.694 ppm2 4.348 CV 1 ASSI { 818} (( segid "T22D" and resid 108 and name HN )) (( segid "T22D" and resid 107 and name HB )) 4.000 2.000 2.000 peak 818 spectrum 1 weight 0.10000E+01 volume 0.85709E-03 ppm1 8.695 ppm2 1.989 CV 1 ASSI { 819} (( segid "T22D" and resid 108 and name HN )) ( segid "T22D" and resid 107 and name HG1%) 2.700 0.900 0.900 peak 819 spectrum 1 weight 0.10000E+01 volume 0.43549E-02 ppm1 8.695 ppm2 1.029 CV 1 OR { 819} (( segid "T22D" and resid 108 and name HN )) ( segid "T22D" and resid 107 and name HG2%) ASSI { 820} (( segid "T22D" and resid 108 and name HN )) (( segid "T22D" and resid 108 and name HA )) 2.900 1.100 1.100 peak 820 spectrum 1 weight 0.10000E+01 volume 0.15942E-02 ppm1 8.689 ppm2 4.920 CV 1 ASSI { 821} (( segid "T22D" and resid 108 and name HN )) (( segid "T22D" and resid 108 and name HB1 )) 3.700 1.700 1.700 peak 821 spectrum 1 weight 0.10000E+01 volume 0.57448E-03 ppm1 8.697 ppm2 3.002 CV 1 ASSI { 822} (( segid "T22D" and resid 108 and name HN )) (( segid "T22D" and resid 108 and name HB2 )) 3.500 1.600 1.600 peak 822 spectrum 1 weight 0.10000E+01 volume 0.12105E-02 ppm1 8.693 ppm2 2.794 CV 1 ASSI { 823} (( segid "T22D" and resid 108 and name HD21)) (( segid "T22D" and resid 108 and name HA )) 4.500 2.600 1.500 peak 823 spectrum 1 weight 0.10000E+01 volume 0.45367E-03 ppm1 7.078 ppm2 4.936 CV 1 ASSI { 824} (( segid "T22D" and resid 108 and name HD21)) (( segid "T22D" and resid 108 and name HB1 )) 3.800 1.800 1.800 peak 824 spectrum 1 weight 0.10000E+01 volume 0.12161E-02 ppm1 7.073 ppm2 2.983 CV 1 ASSI { 825} (( segid "T22D" and resid 108 and name HD22)) (( segid "T22D" and resid 108 and name HB1 )) 4.500 2.600 1.500 peak 825 spectrum 1 weight 0.10000E+01 volume 0.76684E-03 ppm1 6.602 ppm2 2.994 CV 1 ASSI { 826} (( segid "T22D" and resid 108 and name HD21)) (( segid "T22D" and resid 108 and name HB2 )) 2.500 0.800 0.800 peak 826 spectrum 1 weight 0.10000E+01 volume 0.24876E-02 ppm1 7.074 ppm2 2.778 CV 1 ASSI { 827} (( segid "T22D" and resid 108 and name HD22)) (( segid "T22D" and resid 108 and name HD21)) 1.800 0.400 0.400 peak 827 spectrum 1 weight 0.10000E+01 volume 0.12399E-01 ppm1 6.605 ppm2 7.049 CV 1 ASSI { 829} (( segid "T22D" and resid 108 and name HD21)) (( segid "T22D" and resid 110 and name HA )) 3.700 1.800 1.800 peak 829 spectrum 1 weight 0.10000E+01 volume 0.53519E-03 ppm1 7.078 ppm2 4.119 CV 1 ASSI { 830} (( segid "T22D" and resid 108 and name HD21)) (( segid "T22D" and resid 112 and name HB1 )) 4.400 2.400 1.600 peak 830 spectrum 1 weight 0.10000E+01 volume 0.48303E-03 ppm1 7.084 ppm2 1.504 CV 1 ASSI { 831} (( segid "T22D" and resid 108 and name HD21)) ( segid "T22D" and resid 112 and name HD1%) 3.500 1.600 1.600 peak 831 spectrum 1 weight 0.10000E+01 volume 0.59132E-03 ppm1 7.080 ppm2 0.947 CV 1 ASSI { 832} (( segid "T22D" and resid 108 and name HD22)) (( segid "T22D" and resid 108 and name HA )) 5.400 3.700 0.600 peak 832 spectrum 1 weight 0.10000E+01 volume 0.32013E-03 ppm1 6.603 ppm2 4.946 CV 1 ASSI { 833} (( segid "T22D" and resid 108 and name HD22)) (( segid "T22D" and resid 108 and name HB2 )) 3.800 1.800 1.800 peak 833 spectrum 1 weight 0.10000E+01 volume 0.18525E-02 ppm1 6.603 ppm2 2.782 CV 1 ASSI { 834} (( segid "T22D" and resid 108 and name HD22)) (( segid "T22D" and resid 110 and name HA )) 3.800 1.800 1.800 peak 834 spectrum 1 weight 0.10000E+01 volume 0.51293E-03 ppm1 6.600 ppm2 4.119 CV 1 ASSI { 835} (( segid "T22D" and resid 108 and name HD22)) ( segid "T22D" and resid 112 and name HD1%) 5.100 3.300 0.900 peak 835 spectrum 1 weight 0.10000E+01 volume 0.46876E-03 ppm1 6.603 ppm2 0.949 CV 1 ASSI { 836} (( segid "T22D" and resid 109 and name HN )) ( segid "T22D" and resid 109 and name HD1%) 4.000 2.000 2.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.12427E-02 ppm1 9.358 ppm2 1.305 CV 1 ASSI { 838} (( segid "T22D" and resid 109 and name HN )) (( segid "T22D" and resid 90 and name HG2 )) 4.500 2.500 1.500 peak 838 spectrum 1 weight 0.10000E+01 volume 0.43219E-03 ppm1 9.362 ppm2 2.561 CV 1 ASSI { 839} (( segid "T22D" and resid 109 and name HN )) (( segid "T22D" and resid 108 and name HN )) 4.000 2.000 2.000 peak 839 spectrum 1 weight 0.10000E+01 volume 0.56626E-03 ppm1 9.369 ppm2 8.690 CV 1 ASSI { 840} (( segid "T22D" and resid 109 and name HN )) (( segid "T22D" and resid 108 and name HA )) 2.300 0.600 0.600 peak 840 spectrum 1 weight 0.10000E+01 volume 0.56355E-02 ppm1 9.361 ppm2 4.923 CV 1 ASSI { 841} (( segid "T22D" and resid 109 and name HN )) (( segid "T22D" and resid 108 and name HB1 )) 3.700 1.700 1.700 peak 841 spectrum 1 weight 0.10000E+01 volume 0.24055E-02 ppm1 9.361 ppm2 3.001 CV 1 ASSI { 842} (( segid "T22D" and resid 109 and name HN )) (( segid "T22D" and resid 108 and name HB2 )) 2.700 0.900 0.900 peak 842 spectrum 1 weight 0.10000E+01 volume 0.20814E-02 ppm1 9.361 ppm2 2.786 CV 1 ASSI { 843} (( segid "T22D" and resid 109 and name HN )) (( segid "T22D" and resid 108 and name HD21)) 4.000 2.000 2.000 peak 843 spectrum 1 weight 0.10000E+01 volume 0.41806E-03 ppm1 9.366 ppm2 7.069 CV 1 ASSI { 844} (( segid "T22D" and resid 109 and name HN )) (( segid "T22D" and resid 109 and name HA )) 2.900 1.000 1.000 peak 844 spectrum 1 weight 0.10000E+01 volume 0.12902E-02 ppm1 9.360 ppm2 4.450 CV 1 ASSI { 845} (( segid "T22D" and resid 109 and name HN )) (( segid "T22D" and resid 109 and name HB2 )) 2.500 0.800 0.800 peak 845 spectrum 1 weight 0.10000E+01 volume 0.38683E-02 ppm1 9.363 ppm2 1.850 CV 1 OR { 845} (( segid "T22D" and resid 109 and name HN )) (( segid "T22D" and resid 109 and name HB1 )) ASSI { 846} (( segid "T22D" and resid 109 and name HN )) (( segid "T22D" and resid 109 and name HG )) 2.300 0.700 0.700 peak 846 spectrum 1 weight 0.10000E+01 volume 0.42890E-02 ppm1 9.362 ppm2 2.065 CV 1 ASSI { 848} (( segid "T22D" and resid 110 and name HN )) (( segid "T22D" and resid 109 and name HA )) 2.400 0.700 0.700 peak 848 spectrum 1 weight 0.10000E+01 volume 0.31502E-02 ppm1 9.645 ppm2 4.454 CV 1 ASSI { 849} (( segid "T22D" and resid 110 and name HN )) (( segid "T22D" and resid 109 and name HB1 )) 3.200 1.300 1.300 peak 849 spectrum 1 weight 0.10000E+01 volume 0.92493E-03 ppm1 9.647 ppm2 1.823 CV 1 ASSI { 850} (( segid "T22D" and resid 110 and name HN )) ( segid "T22D" and resid 109 and name HD2%) 4.300 2.300 1.700 peak 850 spectrum 1 weight 0.10000E+01 volume 0.85600E-03 ppm1 9.650 ppm2 0.879 CV 1 ASSI { 851} (( segid "T22D" and resid 110 and name HN )) (( segid "T22D" and resid 110 and name HA )) 2.800 1.000 1.000 peak 851 spectrum 1 weight 0.10000E+01 volume 0.18362E-02 ppm1 9.641 ppm2 4.158 CV 1 ASSI { 852} (( segid "T22D" and resid 110 and name HN )) ( segid "T22D" and resid 110 and name HB% ) 2.600 0.800 0.800 peak 852 spectrum 1 weight 0.10000E+01 volume 0.29006E-02 ppm1 9.645 ppm2 1.629 CV 1 ASSI { 855} (( segid "T22D" and resid 111 and name HN )) (( segid "T22D" and resid 109 and name HB1 )) 3.400 1.500 1.500 peak 855 spectrum 1 weight 0.10000E+01 volume 0.66709E-03 ppm1 9.063 ppm2 1.808 CV 1 ASSI { 856} (( segid "T22D" and resid 111 and name HN )) (( segid "T22D" and resid 110 and name HN )) 2.900 1.100 1.100 peak 856 spectrum 1 weight 0.10000E+01 volume 0.12735E-02 ppm1 9.066 ppm2 9.612 CV 1 ASSI { 857} (( segid "T22D" and resid 111 and name HN )) ( segid "T22D" and resid 110 and name HB% ) 2.800 1.000 1.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.23241E-02 ppm1 9.066 ppm2 1.629 CV 1 ASSI { 858} (( segid "T22D" and resid 111 and name HN )) (( segid "T22D" and resid 111 and name HA )) 2.800 1.000 1.000 peak 858 spectrum 1 weight 0.10000E+01 volume 0.25957E-02 ppm1 9.058 ppm2 4.435 CV 1 ASSI { 859} (( segid "T22D" and resid 111 and name HN )) (( segid "T22D" and resid 111 and name HB1 )) 2.500 0.800 0.800 peak 859 spectrum 1 weight 0.10000E+01 volume 0.25361E-02 ppm1 9.062 ppm2 2.919 CV 1 ASSI { 860} (( segid "T22D" and resid 111 and name HN )) (( segid "T22D" and resid 111 and name HB2 )) 4.000 2.000 2.000 peak 860 spectrum 1 weight 0.10000E+01 volume 0.15552E-02 ppm1 9.064 ppm2 3.209 CV 1 ASSI { 861} (( segid "T22D" and resid 111 and name HN )) ( segid "T22D" and resid 111 and name HD% ) 2.600 0.800 0.800 peak 861 spectrum 1 weight 0.10000E+01 volume 0.30116E-02 ppm1 9.065 ppm2 7.081 CV 1 ASSI { 862} (( segid "T22D" and resid 111 and name HN )) ( segid "T22D" and resid 111 and name HE% ) 4.200 2.200 1.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.12684E-02 ppm1 9.063 ppm2 6.746 CV 1 ASSI { 863} (( segid "T22D" and resid 112 and name HN )) ( segid "T22D" and resid 112 and name HD1%) 4.100 2.100 1.900 peak 863 spectrum 1 weight 0.10000E+01 volume 0.10902E-02 ppm1 6.799 ppm2 0.967 CV 1 ASSI { 864} (( segid "T22D" and resid 112 and name HN )) (( segid "T22D" and resid 112 and name HG )) 2.400 0.700 0.700 peak 864 spectrum 1 weight 0.10000E+01 volume 0.35901E-02 ppm1 6.804 ppm2 0.817 CV 1 ASSI { 865} (( segid "T22D" and resid 112 and name HN )) ( segid "T22D" and resid 112 and name HD2%) 3.800 1.800 1.800 peak 865 spectrum 1 weight 0.10000E+01 volume 0.15389E-02 ppm1 6.805 ppm2 0.626 CV 1 ASSI { 866} (( segid "T22D" and resid 112 and name HN )) (( segid "T22D" and resid 111 and name HN )) 3.100 1.200 1.200 peak 866 spectrum 1 weight 0.10000E+01 volume 0.10289E-02 ppm1 6.802 ppm2 9.047 CV 1 ASSI { 867} (( segid "T22D" and resid 112 and name HN )) (( segid "T22D" and resid 111 and name HA )) 3.500 1.500 1.500 peak 867 spectrum 1 weight 0.10000E+01 volume 0.70091E-03 ppm1 6.811 ppm2 4.409 CV 1 ASSI { 868} (( segid "T22D" and resid 112 and name HN )) (( segid "T22D" and resid 112 and name HA )) 2.900 1.100 1.100 peak 868 spectrum 1 weight 0.10000E+01 volume 0.18829E-02 ppm1 6.805 ppm2 3.686 CV 1 ASSI { 869} (( segid "T22D" and resid 112 and name HN )) (( segid "T22D" and resid 112 and name HB1 )) 3.400 1.400 1.400 peak 869 spectrum 1 weight 0.10000E+01 volume 0.32766E-02 ppm1 6.804 ppm2 1.477 CV 1 ASSI { 870} (( segid "T22D" and resid 112 and name HN )) (( segid "T22D" and resid 112 and name HB2 )) 2.800 1.000 1.000 peak 870 spectrum 1 weight 0.10000E+01 volume 0.15183E-02 ppm1 6.805 ppm2 1.369 CV 1 ASSI { 872} (( segid "T22D" and resid 113 and name HN )) (( segid "T22D" and resid 112 and name HG )) 4.500 2.500 1.500 peak 872 spectrum 1 weight 0.10000E+01 volume 0.44866E-03 ppm1 7.028 ppm2 0.825 CV 1 ASSI { 873} (( segid "T22D" and resid 113 and name HN )) ( segid "T22D" and resid 112 and name HD2%) 3.200 1.300 1.300 peak 873 spectrum 1 weight 0.10000E+01 volume 0.38664E-03 ppm1 7.022 ppm2 0.645 CV 1 ASSI { 874} (( segid "T22D" and resid 113 and name HN )) (( segid "T22D" and resid 108 and name HD22)) 4.100 2.100 1.900 peak 874 spectrum 1 weight 0.10000E+01 volume 0.39248E-03 ppm1 7.019 ppm2 6.580 CV 1 ASSI { 875} (( segid "T22D" and resid 113 and name HN )) (( segid "3T5T" and resid 5 and name H3 )) 4.100 2.100 1.900 peak 875 spectrum 1 weight 0.10000E+01 volume 0.31936E-03 ppm1 7.016 ppm2 11.136 CV 1 ASSI { 876} (( segid "T22D" and resid 113 and name HN )) (( segid "T22D" and resid 112 and name HN )) 2.800 1.000 1.000 peak 876 spectrum 1 weight 0.10000E+01 volume 0.24858E-02 ppm1 7.022 ppm2 6.790 CV 1 ASSI { 877} (( segid "T22D" and resid 113 and name HN )) (( segid "T22D" and resid 112 and name HA )) 3.300 1.400 1.400 peak 877 spectrum 1 weight 0.10000E+01 volume 0.12039E-02 ppm1 7.022 ppm2 3.667 CV 1 ASSI { 878} (( segid "T22D" and resid 113 and name HN )) (( segid "T22D" and resid 112 and name HB1 )) 3.700 1.700 1.700 peak 878 spectrum 1 weight 0.10000E+01 volume 0.11445E-02 ppm1 7.026 ppm2 1.470 CV 1 ASSI { 880} (( segid "T22D" and resid 113 and name HN )) (( segid "T22D" and resid 113 and name HA1 )) 2.700 0.900 0.900 peak 880 spectrum 1 weight 0.10000E+01 volume 0.30176E-02 ppm1 7.024 ppm2 4.146 CV 1 ASSI { 881} (( segid "T22D" and resid 113 and name HN )) (( segid "T22D" and resid 113 and name HA2 )) 2.900 1.100 1.100 peak 881 spectrum 1 weight 0.10000E+01 volume 0.34957E-02 ppm1 7.022 ppm2 3.323 CV 1 ASSI { 882} (( segid "T22D" and resid 114 and name HN )) (( segid "T22D" and resid 113 and name HA1 )) 3.500 1.500 1.500 peak 882 spectrum 1 weight 0.10000E+01 volume 0.14072E-02 ppm1 7.057 ppm2 4.133 CV 1 ASSI { 883} (( segid "T22D" and resid 114 and name HN )) (( segid "T22D" and resid 113 and name HA2 )) 3.300 1.300 1.300 peak 883 spectrum 1 weight 0.10000E+01 volume 0.12944E-02 ppm1 7.059 ppm2 3.334 CV 1 ASSI { 884} (( segid "T22D" and resid 114 and name HN )) (( segid "T22D" and resid 114 and name HA )) 3.000 1.200 1.200 peak 884 spectrum 1 weight 0.10000E+01 volume 0.17688E-02 ppm1 7.056 ppm2 4.003 CV 1 ASSI { 885} (( segid "T22D" and resid 114 and name HN )) ( segid "T22D" and resid 114 and name HB% ) 2.500 0.800 0.800 peak 885 spectrum 1 weight 0.10000E+01 volume 0.59983E-02 ppm1 7.058 ppm2 1.272 CV 1 ASSI { 886} (( segid "T22D" and resid 115 and name HN )) (( segid "T22D" and resid 115 and name HB2 )) 2.400 0.700 0.700 peak 886 spectrum 1 weight 0.10000E+01 volume 0.52352E-02 ppm1 8.338 ppm2 1.677 CV 1 OR { 886} (( segid "T22D" and resid 115 and name HN )) (( segid "T22D" and resid 115 and name HD2 )) OR { 886} (( segid "T22D" and resid 115 and name HN )) (( segid "T22D" and resid 115 and name HD1 )) ASSI { 888} (( segid "T22D" and resid 115 and name HN )) (( segid "T22D" and resid 115 and name HA )) 2.600 0.900 0.900 peak 888 spectrum 1 weight 0.10000E+01 volume 0.33348E-02 ppm1 8.339 ppm2 4.534 CV 1 ASSI { 892} (( segid "T22D" and resid 115 and name HN )) (( segid "T22D" and resid 114 and name HA )) 2.100 0.600 0.600 peak 892 spectrum 1 weight 0.10000E+01 volume 0.11227E-01 ppm1 8.339 ppm2 4.007 CV 1 ASSI { 893} (( segid "T22D" and resid 115 and name HN )) ( segid "T22D" and resid 114 and name HB% ) 2.900 1.100 1.100 peak 893 spectrum 1 weight 0.10000E+01 volume 0.40228E-02 ppm1 8.339 ppm2 1.273 CV 1 ASSI { 894} (( segid "T22D" and resid 115 and name HN )) (( segid "T22D" and resid 115 and name HG1 )) 2.900 1.000 1.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.23394E-02 ppm1 8.339 ppm2 1.462 CV 1 OR { 894} (( segid "T22D" and resid 115 and name HN )) (( segid "T22D" and resid 115 and name HG2 )) ASSI { 895} (( segid "T22D" and resid 117 and name HN )) (( segid "T22D" and resid 116 and name HB1 )) 4.300 2.300 1.700 peak 895 spectrum 1 weight 0.10000E+01 volume 0.58536E-03 ppm1 8.549 ppm2 2.279 CV 1 ASSI { 898} (( segid "T22D" and resid 117 and name HN )) (( segid "T22D" and resid 116 and name HA )) 2.400 0.700 0.700 peak 898 spectrum 1 weight 0.10000E+01 volume 0.71964E-02 ppm1 8.548 ppm2 4.399 CV 1 ASSI { 899} (( segid "T22D" and resid 118 and name HN )) (( segid "T22D" and resid 117 and name HA )) 3.000 1.100 1.100 peak 899 spectrum 1 weight 0.10000E+01 volume 0.17798E-02 ppm1 8.252 ppm2 4.391 CV 1 ASSI { 900} (( segid "T22D" and resid 119 and name HD22)) (( segid "T22D" and resid 119 and name HD21)) 1.800 0.400 0.400 peak 900 spectrum 1 weight 0.10000E+01 volume 0.19992E-01 ppm1 6.911 ppm2 7.580 CV 1 ASSI { 902} (( segid "T22D" and resid 120 and name HN )) (( segid "T22D" and resid 120 and name HA )) 3.600 1.600 1.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.65888E-03 ppm1 8.092 ppm2 4.119 CV 1 ASSI { 903} (( segid "T22D" and resid 120 and name HN )) (( segid "T22D" and resid 120 and name HB )) 3.900 1.900 1.900 peak 903 spectrum 1 weight 0.10000E+01 volume 0.46931E-03 ppm1 8.087 ppm2 2.098 CV 1 ASSI { 904} (( segid "T22D" and resid 120 and name HN )) ( segid "T22D" and resid 120 and name HG1%) 3.800 1.800 1.800 peak 904 spectrum 1 weight 0.10000E+01 volume 0.66826E-03 ppm1 8.094 ppm2 0.883 CV 1 OR { 904} (( segid "T22D" and resid 120 and name HN )) ( segid "T22D" and resid 120 and name HG2%) ASSI { 905} (( segid "T22D" and resid 121 and name HN )) (( segid "T22D" and resid 120 and name HA )) 2.800 1.000 1.000 peak 905 spectrum 1 weight 0.10000E+01 volume 0.32924E-02 ppm1 8.017 ppm2 4.114 CV 1 ASSI { 906} (( segid "T22D" and resid 121 and name HE22)) (( segid "T22D" and resid 121 and name HE21)) 1.700 0.300 0.500 peak 906 spectrum 1 weight 0.10000E+01 volume 0.29963E-01 ppm1 6.819 ppm2 7.498 CV 1 ASSI { 3} ( segid "T22D" and resid 67 and name HD1%) (( segid "T22D" and resid 80 and name HB2 )) 3.700 1.700 1.700 peak 3 spectrum 1 weight 0.10000E+01 volume 0.57994E-03 ppm1 0.775 ppm2 2.776 CV 1 ASSI { 4} ( segid "T22D" and resid 67 and name HD1%) (( segid "3T5T" and resid 6 and name H5' )) 3.800 1.800 1.800 peak 4 spectrum 1 weight 0.10000E+01 volume 0.65742E-03 ppm1 0.769 ppm2 4.426 CV 1 ASSI { 9} ( segid "T22D" and resid 67 and name HD1%) (( segid "T22D" and resid 80 and name HB1 )) 5.400 3.700 0.600 peak 9 spectrum 1 weight 0.10000E+01 volume 0.41505E-03 ppm1 0.762 ppm2 2.180 CV 1 ASSI { 10} ( segid "T22D" and resid 67 and name HD1%) (( segid "3T5T" and resid 6 and name H2' )) 4.000 2.000 2.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.69612E-03 ppm1 0.760 ppm2 2.577 CV 1 ASSI { 12} ( segid "T22D" and resid 67 and name HD1%) ( segid "T22D" and resid 80 and name HD% ) 2.600 0.800 0.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.29530E-02 ppm1 0.766 ppm2 6.610 CV 1 ASSI { 13} ( segid "T22D" and resid 67 and name HD1%) (( segid "T22D" and resid 79 and name HA2 )) 4.100 2.100 1.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.88986E-03 ppm1 0.771 ppm2 3.948 CV 1 ASSI { 14} ( segid "T22D" and resid 67 and name HD1%) (( segid "T22D" and resid 67 and name HA )) 2.000 0.500 0.500 peak 14 spectrum 1 weight 0.10000E+01 volume 0.96413E-02 ppm1 0.767 ppm2 4.101 CV 1 ASSI { 15} ( segid "T22D" and resid 67 and name HD1%) (( segid "T22D" and resid 79 and name HA1 )) 5.100 3.200 0.900 peak 15 spectrum 1 weight 0.10000E+01 volume 0.74324E-03 ppm1 0.766 ppm2 3.796 CV 1 ASSI { 16} ( segid "T22D" and resid 67 and name HD1%) (( segid "T22D" and resid 67 and name HG12)) 2.400 0.700 0.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.33814E-02 ppm1 0.771 ppm2 1.161 CV 1 ASSI { 17} ( segid "T22D" and resid 67 and name HD1%) (( segid "3T5T" and resid 6 and name H4' )) 2.800 1.000 1.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.22954E-02 ppm1 0.767 ppm2 4.561 CV 1 ASSI { 18} ( segid "T22D" and resid 67 and name HD1%) (( segid "3T5T" and resid 6 and name H2'')) 4.200 2.200 1.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.69399E-03 ppm1 0.777 ppm2 2.658 CV 1 ASSI { 19} ( segid "T22D" and resid 67 and name HD1%) (( segid "3T5T" and resid 6 and name H1' )) 2.300 0.700 0.700 peak 19 spectrum 1 weight 0.10000E+01 volume 0.72714E-02 ppm1 0.767 ppm2 6.370 CV 1 ASSI { 21} ( segid "T22D" and resid 67 and name HD1%) (( segid "T22D" and resid 66 and name HA )) 3.800 1.800 1.800 peak 21 spectrum 1 weight 0.10000E+01 volume 0.97160E-03 ppm1 0.768 ppm2 3.748 CV 1 ASSI { 22} ( segid "T22D" and resid 67 and name HD1%) (( segid "3T5T" and resid 6 and name H5'')) 4.300 2.300 1.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.90446E-03 ppm1 0.766 ppm2 4.237 CV 1 ASSI { 23} ( segid "T22D" and resid 99 and name HD1%) ( segid "T22D" and resid 99 and name HG2%) 2.000 0.500 0.500 peak 23 spectrum 1 weight 0.10000E+01 volume 0.20608E-01 ppm1 0.705 ppm2 0.555 CV 1 ASSI { 24} ( segid "T22D" and resid 99 and name HD1%) (( segid "T22D" and resid 104 and name HA )) 2.200 0.600 0.600 peak 24 spectrum 1 weight 0.10000E+01 volume 0.79149E-02 ppm1 0.708 ppm2 4.146 CV 1 ASSI { 25} ( segid "T22D" and resid 99 and name HD1%) (( segid "T22D" and resid 104 and name HB2 )) 2.400 0.700 0.700 peak 25 spectrum 1 weight 0.10000E+01 volume 0.44345E-02 ppm1 0.709 ppm2 1.609 CV 1 ASSI { 26} ( segid "T22D" and resid 99 and name HD1%) (( segid "T22D" and resid 99 and name HG12)) 2.300 0.600 0.600 peak 26 spectrum 1 weight 0.10000E+01 volume 0.80337E-02 ppm1 0.706 ppm2 1.146 CV 1 ASSI { 27} ( segid "T22D" and resid 99 and name HD1%) (( segid "T22D" and resid 99 and name HG11)) 2.300 0.600 0.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.83081E-02 ppm1 0.711 ppm2 1.458 CV 1 ASSI { 28} ( segid "T22D" and resid 99 and name HD1%) (( segid "T22D" and resid 99 and name HB )) 3.100 1.200 1.200 peak 28 spectrum 1 weight 0.10000E+01 volume 0.51814E-02 ppm1 0.709 ppm2 1.800 CV 1 ASSI { 30} ( segid "T22D" and resid 99 and name HD1%) (( segid "T22D" and resid 104 and name HB1 )) 3.600 1.700 1.700 peak 30 spectrum 1 weight 0.10000E+01 volume 0.27920E-02 ppm1 0.708 ppm2 1.671 CV 1 ASSI { 33} ( segid "T22D" and resid 99 and name HD1%) (( segid "T22D" and resid 103 and name HG1 )) 3.600 3.600 2.400 peak 33 spectrum 1 weight 0.10000E+01 volume 0.14061E-02 ppm1 0.714 ppm2 1.399 CV 1 ASSI { 37} ( segid "T22D" and resid 100 and name HD1%) (( segid "T22D" and resid 98 and name HB1 )) 4.600 2.700 1.400 peak 37 spectrum 1 weight 0.10000E+01 volume 0.58411E-03 ppm1 0.235 ppm2 2.116 CV 1 ASSI { 38} ( segid "T22D" and resid 100 and name HD1%) (( segid "T22D" and resid 54 and name HB2 )) 4.000 2.000 2.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.62765E-03 ppm1 0.233 ppm2 3.227 CV 1 ASSI { 39} ( segid "T22D" and resid 100 and name HD1%) (( segid "T22D" and resid 98 and name HD2 )) 4.500 2.500 1.500 peak 39 spectrum 1 weight 0.10000E+01 volume 0.46413E-03 ppm1 0.233 ppm2 3.163 CV 1 ASSI { 41} ( segid "T22D" and resid 100 and name HD1%) ( segid "T22D" and resid 54 and name HD% ) 3.600 1.600 1.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.63019E-03 ppm1 0.233 ppm2 6.364 CV 1 ASSI { 42} ( segid "T22D" and resid 100 and name HD1%) (( segid "T22D" and resid 55 and name HZ )) 3.400 1.400 1.400 peak 42 spectrum 1 weight 0.10000E+01 volume 0.10166E-02 ppm1 0.237 ppm2 7.184 CV 1 ASSI { 43} ( segid "T22D" and resid 100 and name HD1%) (( segid "T22D" and resid 98 and name HD1 )) 4.800 2.900 1.200 peak 43 spectrum 1 weight 0.10000E+01 volume 0.61643E-03 ppm1 0.246 ppm2 3.590 CV 1 ASSI { 44} ( segid "T22D" and resid 100 and name HD1%) (( segid "T22D" and resid 100 and name HG11)) 2.600 0.800 0.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.33891E-02 ppm1 0.240 ppm2 0.795 CV 1 ASSI { 45} ( segid "T22D" and resid 100 and name HD1%) ( segid "T22D" and resid 55 and name HE% ) 2.800 1.000 1.000 peak 45 spectrum 1 weight 0.10000E+01 volume 0.18075E-02 ppm1 0.244 ppm2 7.316 CV 1 ASSI { 46} ( segid "T22D" and resid 100 and name HD1%) ( segid "T22D" and resid 100 and name HG2%) 2.200 0.600 0.600 peak 46 spectrum 1 weight 0.10000E+01 volume 0.97256E-02 ppm1 0.240 ppm2 0.449 CV 1 ASSI { 47} ( segid "T22D" and resid 100 and name HD1%) ( segid "T22D" and resid 42 and name HD2%) 2.200 0.600 0.600 peak 47 spectrum 1 weight 0.10000E+01 volume 0.78298E-02 ppm1 0.239 ppm2 0.678 CV 1 ASSI { 48} ( segid "T22D" and resid 100 and name HD1%) (( segid "T22D" and resid 100 and name HB )) 2.200 0.600 0.600 peak 48 spectrum 1 weight 0.10000E+01 volume 0.11588E-01 ppm1 0.241 ppm2 1.309 CV 1 ASSI { 49} ( segid "T22D" and resid 100 and name HD1%) (( segid "T22D" and resid 100 and name HG12)) 2.500 0.800 0.800 peak 49 spectrum 1 weight 0.10000E+01 volume 0.37554E-02 ppm1 0.243 ppm2 -0.507 CV 1 ASSI { 50} ( segid "T22D" and resid 100 and name HD1%) (( segid "T22D" and resid 98 and name HG2 )) 3.200 1.300 1.300 peak 50 spectrum 1 weight 0.10000E+01 volume 0.10499E-02 ppm1 0.245 ppm2 1.979 CV 1 OR { 50} ( segid "T22D" and resid 100 and name HD1%) (( segid "T22D" and resid 98 and name HG1 )) ASSI { 51} ( segid "T22D" and resid 100 and name HD1%) (( segid "T22D" and resid 100 and name HA )) 3.600 1.600 1.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.28988E-02 ppm1 0.244 ppm2 3.767 CV 1 ASSI { 52} ( segid "T22D" and resid 100 and name HD1%) ( segid "T22D" and resid 54 and name HE% ) 3.200 1.300 1.300 peak 52 spectrum 1 weight 0.10000E+01 volume 0.16749E-02 ppm1 0.239 ppm2 6.455 CV 1 ASSI { 53} ( segid "T22D" and resid 100 and name HD1%) (( segid "T22D" and resid 54 and name HB1 )) 3.300 1.300 1.300 peak 53 spectrum 1 weight 0.10000E+01 volume 0.84929E-03 ppm1 0.249 ppm2 2.894 CV 1 ASSI { 54} ( segid "T22D" and resid 100 and name HD1%) (( segid "T22D" and resid 98 and name HB2 )) 2.900 1.000 1.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.23055E-02 ppm1 0.241 ppm2 1.560 CV 1 ASSI { 55} ( segid "T22D" and resid 61 and name HD1%) (( segid "T22D" and resid 52 and name HD2 )) 3.500 1.500 1.500 peak 55 spectrum 1 weight 0.10000E+01 volume 0.12372E-02 ppm1 0.306 ppm2 7.308 CV 1 ASSI { 56} ( segid "T22D" and resid 61 and name HD1%) (( segid "T22D" and resid 55 and name HA )) 3.600 1.600 1.600 peak 56 spectrum 1 weight 0.10000E+01 volume 0.13646E-02 ppm1 0.328 ppm2 4.312 CV 1 ASSI { 57} ( segid "T22D" and resid 61 and name HD1%) (( segid "T22D" and resid 52 and name HB1 )) 3.800 1.800 1.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.14724E-02 ppm1 0.319 ppm2 3.596 CV 1 OR { 57} ( segid "T22D" and resid 61 and name HD1%) (( segid "T22D" and resid 52 and name HB2 )) ASSI { 58} ( segid "T22D" and resid 61 and name HD1%) ( segid "T22D" and resid 81 and name HG1%) 2.700 0.900 0.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.38864E-02 ppm1 0.322 ppm2 0.531 CV 1 ASSI { 59} ( segid "T22D" and resid 61 and name HD1%) (( segid "T22D" and resid 61 and name HA )) 3.400 1.400 1.400 peak 59 spectrum 1 weight 0.10000E+01 volume 0.31063E-02 ppm1 0.319 ppm2 4.111 CV 1 ASSI { 60} ( segid "T22D" and resid 61 and name HD1%) (( segid "T22D" and resid 56 and name HA )) 2.400 0.700 0.700 peak 60 spectrum 1 weight 0.10000E+01 volume 0.73127E-02 ppm1 0.317 ppm2 4.403 CV 1 ASSI { 61} ( segid "T22D" and resid 61 and name HD1%) (( segid "T22D" and resid 61 and name HG11)) 2.200 0.600 0.600 peak 61 spectrum 1 weight 0.10000E+01 volume 0.65596E-02 ppm1 0.315 ppm2 1.534 CV 1 ASSI { 62} ( segid "T22D" and resid 61 and name HD1%) (( segid "T22D" and resid 56 and name HG1 )) 3.800 1.800 1.800 peak 62 spectrum 1 weight 0.10000E+01 volume 0.20721E-02 ppm1 0.314 ppm2 2.427 CV 1 ASSI { 63} ( segid "T22D" and resid 61 and name HD1%) (( segid "T22D" and resid 54 and name HB1 )) 2.200 2.200 3.800 peak 63 spectrum 1 weight 0.10000E+01 volume 0.36886E-02 ppm1 0.318 ppm2 2.868 CV 1 ASSI { 65} ( segid "T22D" and resid 61 and name HD1%) ( segid "T22D" and resid 83 and name HE% ) 3.200 1.200 1.200 peak 65 spectrum 1 weight 0.10000E+01 volume 0.25919E-02 ppm1 0.315 ppm2 1.928 CV 1 ASSI { 66} ( segid "T22D" and resid 61 and name HD1%) (( segid "T22D" and resid 61 and name HB )) 2.300 0.600 0.600 peak 66 spectrum 1 weight 0.10000E+01 volume 0.65192E-02 ppm1 0.316 ppm2 1.474 CV 1 ASSI { 67} ( segid "T22D" and resid 61 and name HD1%) (( segid "T22D" and resid 61 and name HG12)) 2.200 0.600 0.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.57068E-02 ppm1 0.315 ppm2 0.920 CV 1 ASSI { 68} ( segid "T22D" and resid 61 and name HD1%) (( segid "T22D" and resid 57 and name HG2 )) 2.200 2.200 3.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.39979E-02 ppm1 0.312 ppm2 0.054 CV 1 ASSI { 69} ( segid "T22D" and resid 61 and name HD1%) (( segid "T22D" and resid 56 and name HG2 )) 3.300 1.400 1.400 peak 69 spectrum 1 weight 0.10000E+01 volume 0.19222E-02 ppm1 0.310 ppm2 2.620 CV 1 ASSI { 70} ( segid "T22D" and resid 61 and name HD1%) (( segid "T22D" and resid 52 and name HA )) 2.300 0.600 0.600 peak 70 spectrum 1 weight 0.10000E+01 volume 0.53807E-02 ppm1 0.315 ppm2 3.748 CV 1 ASSI { 71} ( segid "T22D" and resid 61 and name HD1%) (( segid "T22D" and resid 56 and name HB2 )) 3.800 1.800 1.800 peak 71 spectrum 1 weight 0.10000E+01 volume 0.17234E-02 ppm1 0.315 ppm2 2.145 CV 1 ASSI { 72} ( segid "T22D" and resid 61 and name HD1%) (( segid "T22D" and resid 56 and name HB1 )) 2.500 0.800 0.800 peak 72 spectrum 1 weight 0.10000E+01 volume 0.23934E-02 ppm1 0.313 ppm2 2.064 CV 1 ASSI { 73} ( segid "T22D" and resid 61 and name HD1%) ( segid "T22D" and resid 64 and name HB% ) 2.500 0.800 0.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.45100E-02 ppm1 0.324 ppm2 1.327 CV 1 ASSI { 74} ( segid "T22D" and resid 61 and name HD1%) ( segid "T22D" and resid 61 and name HG2%) 2.100 0.600 0.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.95233E-02 ppm1 0.328 ppm2 0.607 CV 1 ASSI { 75} ( segid "T22D" and resid 100 and name HG2%) ( segid "T22D" and resid 54 and name HD% ) 4.000 2.000 2.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.48373E-03 ppm1 0.459 ppm2 6.328 CV 1 ASSI { 76} ( segid "T22D" and resid 37 and name HD1%) ( segid "T22D" and resid 83 and name HE% ) 3.300 1.400 1.400 peak 76 spectrum 1 weight 0.10000E+01 volume 0.25519E-02 ppm1 0.706 ppm2 1.934 CV 1 ASSI { 78} ( segid "T22D" and resid 37 and name HD1%) ( segid "T22D" and resid 81 and name HG2%) 4.000 2.000 2.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.11693E-02 ppm1 0.716 ppm2 0.268 CV 1 ASSI { 79} ( segid "T22D" and resid 37 and name HD1%) ( segid "T22D" and resid 55 and name HE% ) 3.400 1.400 1.400 peak 79 spectrum 1 weight 0.10000E+01 volume 0.10650E-02 ppm1 0.705 ppm2 7.296 CV 1 ASSI { 83} ( segid "T22D" and resid 100 and name HG2%) (( segid "T22D" and resid 54 and name HB2 )) 3.000 1.100 1.100 peak 83 spectrum 1 weight 0.10000E+01 volume 0.15669E-02 ppm1 0.446 ppm2 3.229 CV 1 ASSI { 85} ( segid "T22D" and resid 100 and name HG2%) ( segid "T22D" and resid 46 and name HG2%) 2.800 1.000 1.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.25256E-02 ppm1 0.454 ppm2 1.141 CV 1 ASSI { 86} ( segid "T22D" and resid 100 and name HG2%) (( segid "T22D" and resid 51 and name HA )) 3.100 1.200 1.200 peak 86 spectrum 1 weight 0.10000E+01 volume 0.20213E-02 ppm1 0.448 ppm2 4.135 CV 1 ASSI { 87} ( segid "T22D" and resid 100 and name HG2%) (( segid "T22D" and resid 100 and name HA )) 2.300 0.700 0.700 peak 87 spectrum 1 weight 0.10000E+01 volume 0.82427E-02 ppm1 0.453 ppm2 3.768 CV 1 ASSI { 88} ( segid "T22D" and resid 100 and name HG2%) (( segid "T22D" and resid 101 and name HB1 )) 3.200 1.300 1.300 peak 88 spectrum 1 weight 0.10000E+01 volume 0.25453E-02 ppm1 0.452 ppm2 2.239 CV 1 ASSI { 89} ( segid "T22D" and resid 100 and name HG2%) (( segid "T22D" and resid 101 and name HB2 )) 3.000 1.100 1.100 peak 89 spectrum 1 weight 0.10000E+01 volume 0.16090E-02 ppm1 0.450 ppm2 3.004 CV 1 ASSI { 90} ( segid "T22D" and resid 100 and name HG2%) (( segid "T22D" and resid 54 and name HB1 )) 3.400 1.400 1.400 peak 90 spectrum 1 weight 0.10000E+01 volume 0.11774E-02 ppm1 0.450 ppm2 2.894 CV 1 ASSI { 91} ( segid "T22D" and resid 100 and name HG2%) (( segid "T22D" and resid 100 and name HB )) 2.200 0.600 0.600 peak 91 spectrum 1 weight 0.10000E+01 volume 0.10126E-01 ppm1 0.452 ppm2 1.305 CV 1 ASSI { 92} ( segid "T22D" and resid 100 and name HG2%) (( segid "T22D" and resid 43 and name HD2 )) 3.700 1.700 1.700 peak 92 spectrum 1 weight 0.10000E+01 volume 0.49241E-03 ppm1 0.457 ppm2 3.896 CV 1 ASSI { 93} ( segid "T22D" and resid 100 and name HG2%) (( segid "T22D" and resid 101 and name HA )) 3.800 1.800 1.800 peak 93 spectrum 1 weight 0.10000E+01 volume 0.12965E-02 ppm1 0.454 ppm2 4.218 CV 1 ASSI { 94} ( segid "T22D" and resid 100 and name HG2%) (( segid "T22D" and resid 100 and name HG12)) 2.700 0.900 0.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.24746E-02 ppm1 0.452 ppm2 -0.503 CV 1 ASSI { 95} ( segid "T22D" and resid 100 and name HG2%) ( segid "T22D" and resid 42 and name HD2%) 2.600 0.900 0.900 peak 95 spectrum 1 weight 0.10000E+01 volume 0.43048E-02 ppm1 0.452 ppm2 0.673 CV 1 ASSI { 97} ( segid "T22D" and resid 100 and name HG2%) (( segid "T22D" and resid 42 and name HA )) 4.200 2.200 1.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.62765E-03 ppm1 0.443 ppm2 4.328 CV 1 ASSI { 99} ( segid "T22D" and resid 100 and name HG2%) ( segid "T22D" and resid 54 and name HE% ) 4.100 2.100 1.900 peak 99 spectrum 1 weight 0.10000E+01 volume 0.71847E-03 ppm1 0.453 ppm2 6.455 CV 1 ASSI { 100} ( segid "T22D" and resid 37 and name HD1%) ( segid "T22D" and resid 92 and name 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"T22D" and resid 111 and name HB1 )) 3.700 1.700 1.700 peak 112 spectrum 1 weight 0.10000E+01 volume 0.12706E-02 ppm1 1.487 ppm2 2.927 CV 1 ASSI { 113} ( segid "T22D" and resid 33 and name HE% ) ( segid "T22D" and resid 111 and name HD% ) 2.900 1.000 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.26635E-02 ppm1 1.485 ppm2 7.098 CV 1 ASSI { 114} ( segid "T22D" and resid 33 and name HE% ) ( segid "T22D" and resid 34 and name HD% ) 3.200 1.300 1.300 peak 114 spectrum 1 weight 0.10000E+01 volume 0.17361E-02 ppm1 1.486 ppm2 7.210 CV 1 ASSI { 115} ( segid "T22D" and resid 33 and name HE% ) (( segid "T22D" and resid 111 and name HB2 )) 3.600 1.600 1.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.10617E-02 ppm1 1.482 ppm2 3.220 CV 1 ASSI { 116} ( segid "T22D" and resid 33 and name HE% ) (( segid "T22D" and resid 33 and name HA )) 4.000 2.000 2.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.11065E-02 ppm1 1.489 ppm2 3.744 CV 1 ASSI { 117} ( segid "T22D" and resid 33 and name HE% ) ( segid "T22D" and resid 111 and name HE% ) 2.800 1.000 1.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.29632E-02 ppm1 1.484 ppm2 6.725 CV 1 ASSI { 119} ( segid "T22D" and resid 33 and name HE% ) ( segid "T22D" and resid 34 and name HE% ) 3.400 1.400 1.400 peak 119 spectrum 1 weight 0.10000E+01 volume 0.10172E-02 ppm1 1.496 ppm2 7.318 CV 1 ASSI { 120} ( segid "T22D" and resid 83 and name HE% ) (( segid "T22D" and resid 60 and name HA )) 3.100 1.200 1.200 peak 120 spectrum 1 weight 0.10000E+01 volume 0.24310E-02 ppm1 1.923 ppm2 4.720 CV 1 ASSI { 121} ( segid "T22D" and resid 83 and name HE% ) (( segid "T22D" and resid 89 and name HA )) 2.900 1.100 1.100 peak 121 spectrum 1 weight 0.10000E+01 volume 0.40690E-02 ppm1 1.930 ppm2 4.107 CV 1 ASSI { 122} ( segid "T22D" and resid 83 and name HE% ) (( segid "T22D" and resid 56 and name HA )) 3.100 1.200 1.200 peak 122 spectrum 1 weight 0.10000E+01 volume 0.15814E-02 ppm1 1.925 ppm2 4.401 CV 1 ASSI { 123} ( segid "T22D" and resid 83 and name HE% ) (( segid "T22D" and resid 88 and name HA )) 3.300 1.300 1.300 peak 123 spectrum 1 weight 0.10000E+01 volume 0.26575E-02 ppm1 1.923 ppm2 4.334 CV 1 ASSI { 124} ( segid "T22D" and resid 83 and name HE% ) (( segid "T22D" and resid 88 and name HB2 )) 2.600 0.800 0.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.53444E-02 ppm1 1.929 ppm2 4.057 CV 1 ASSI { 126} ( segid "T22D" and resid 83 and name HE% ) (( segid "T22D" and resid 55 and name HB2 )) 2.700 0.900 0.900 peak 126 spectrum 1 weight 0.10000E+01 volume 0.11110E-02 ppm1 1.932 ppm2 3.253 CV 1 ASSI { 127} ( segid "T22D" and resid 83 and name HE% ) (( segid "T22D" and resid 83 and name HG1 )) 2.400 0.700 0.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.38959E-02 ppm1 1.925 ppm2 2.260 CV 1 ASSI { 129} ( segid "T22D" and resid 83 and name HE% ) ( segid "T22D" and resid 55 and name HE% ) 4.000 2.000 2.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.79036E-03 ppm1 1.928 ppm2 7.317 CV 1 ASSI { 130} ( segid "T22D" and resid 83 and name HE% ) (( segid "T22D" and resid 61 and name HG12)) 3.000 1.200 1.200 peak 130 spectrum 1 weight 0.10000E+01 volume 0.22084E-02 ppm1 1.931 ppm2 0.926 CV 1 ASSI { 131} ( segid "T22D" and resid 83 and name HE% ) (( segid "T22D" and resid 59 and name HA1 )) 2.800 1.000 1.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.26871E-02 ppm1 1.922 ppm2 4.596 CV 1 ASSI { 132} ( segid "T22D" and resid 83 and name HE% ) (( segid "T22D" and resid 58 and name HB1 )) 3.300 1.400 1.400 peak 132 spectrum 1 weight 0.10000E+01 volume 0.34983E-02 ppm1 1.926 ppm2 2.883 CV 1 ASSI { 133} ( segid "T22D" and resid 83 and name HE% ) (( segid "T22D" and resid 88 and name HB1 )) 2.300 0.700 0.700 peak 133 spectrum 1 weight 0.10000E+01 volume 0.70029E-02 ppm1 1.927 ppm2 3.860 CV 1 ASSI { 134} ( segid "T22D" and resid 83 and name HE% ) ( segid "T22D" and resid 81 and name HG2%) 2.400 2.400 3.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.19054E-02 ppm1 1.928 ppm2 0.286 CV 1 ASSI { 136} ( segid "T22D" and resid 83 and name HE% ) (( segid "T22D" and resid 58 and name HB2 )) 2.600 0.800 0.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.30620E-02 ppm1 1.929 ppm2 3.669 CV 1 ASSI { 137} ( segid "T22D" and resid 83 and name HE% ) ( segid "T22D" and resid 92 and name HB% ) 2.700 0.900 0.900 peak 137 spectrum 1 weight 0.10000E+01 volume 0.44341E-02 ppm1 1.928 ppm2 1.417 CV 1 ASSI { 139} ( segid "T22D" and resid 83 and name HE% ) (( segid "T22D" and resid 61 and name HG11)) 2.400 0.700 0.700 peak 139 spectrum 1 weight 0.10000E+01 volume 0.38576E-02 ppm1 1.926 ppm2 1.533 CV 1 ASSI { 140} ( segid "T22D" and resid 83 and name HE% ) ( segid "T22D" and resid 81 and name HG1%) 3.100 1.200 1.200 peak 140 spectrum 1 weight 0.10000E+01 volume 0.20521E-02 ppm1 1.929 ppm2 0.521 CV 1 ASSI { 142} ( segid "T22D" and resid 83 and name HE% ) ( segid "T22D" and resid 58 and name HD% ) 3.100 1.200 1.200 peak 142 spectrum 1 weight 0.10000E+01 volume 0.22975E-02 ppm1 1.928 ppm2 7.376 CV 1 ASSI { 143} ( segid "T22D" and resid 83 and name HE% ) (( segid "T22D" and resid 83 and name HA )) 2.900 1.100 1.100 peak 143 spectrum 1 weight 0.10000E+01 volume 0.30010E-02 ppm1 1.941 ppm2 5.090 CV 1 ASSI { 144} ( segid "T22D" and resid 67 and name HG2%) (( segid "3T5T" and resid 6 and name H3' )) 4.100 2.100 1.900 peak 144 spectrum 1 weight 0.10000E+01 volume 0.13002E-02 ppm1 0.868 ppm2 5.023 CV 1 ASSI { 145} ( segid "T22D" and resid 67 and name HG2%) (( segid "3T5T" and resid 6 and name H5' )) 3.300 1.400 1.400 peak 145 spectrum 1 weight 0.10000E+01 volume 0.64704E-03 ppm1 0.887 ppm2 4.422 CV 1 ASSI { 146} ( segid "T22D" and resid 67 and name HG2%) ( segid "T22D" and resid 67 and name HD1%) 2.100 0.600 0.600 peak 146 spectrum 1 weight 0.10000E+01 volume 0.13088E-01 ppm1 0.871 ppm2 0.759 CV 1 ASSI { 147} ( segid "T22D" and resid 67 and name HG2%) (( segid "T22D" and resid 67 and name HB )) 2.200 0.600 0.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.80934E-02 ppm1 0.873 ppm2 0.983 CV 1 ASSI { 148} ( segid "T22D" and resid 67 and name HG2%) (( segid "T22D" and resid 67 and name HA )) 2.300 0.700 0.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.64024E-02 ppm1 0.876 ppm2 4.101 CV 1 ASSI { 149} ( segid "T22D" and resid 67 and name HG2%) ( segid "T22D" and resid 78 and name HE% ) 2.800 0.900 0.900 peak 149 spectrum 1 weight 0.10000E+01 volume 0.20797E-02 ppm1 0.874 ppm2 6.622 CV 1 ASSI { 152} ( segid "T22D" and resid 99 and name HG2%) (( segid "T22D" and resid 100 and name HA )) 3.400 1.500 1.500 peak 152 spectrum 1 weight 0.10000E+01 volume 0.10302E-02 ppm1 0.552 ppm2 3.768 CV 1 ASSI { 153} ( segid "T22D" and resid 99 and name HG2%) ( segid "T22D" and resid 100 and name HG2%) 3.000 3.000 3.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.53665E-02 ppm1 0.546 ppm2 0.417 CV 1 ASSI { 154} ( segid "T22D" and resid 67 and name HG2%) (( segid "T22D" and resid 76 and name HD2 )) 2.800 1.000 1.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.34293E-02 ppm1 0.876 ppm2 3.069 CV 1 ASSI { 155} ( segid "T22D" and resid 67 and name HG2%) ( segid "T22D" and resid 80 and name HE% ) 3.800 1.800 1.800 peak 155 spectrum 1 weight 0.10000E+01 volume 0.88090E-03 ppm1 0.877 ppm2 7.136 CV 1 ASSI { 156} ( segid "T22D" and resid 67 and name HG2%) (( segid "3T5T" and resid 6 and name H1' )) 3.400 1.400 1.400 peak 156 spectrum 1 weight 0.10000E+01 volume 0.21140E-02 ppm1 0.875 ppm2 6.370 CV 1 ASSI { 157} ( segid "T22D" and resid 67 and name HG2%) (( segid "3T5T" and resid 6 and name H5'')) 3.300 1.400 1.400 peak 157 spectrum 1 weight 0.10000E+01 volume 0.28148E-02 ppm1 0.878 ppm2 4.236 CV 1 ASSI { 158} ( segid "T22D" and resid 67 and name HG2%) (( segid "3T5T" and resid 6 and name H4' )) 2.200 0.600 0.600 peak 158 spectrum 1 weight 0.10000E+01 volume 0.86363E-02 ppm1 0.878 ppm2 4.560 CV 1 ASSI { 159} ( segid "T22D" and resid 67 and name HG2%) (( segid "T22D" and resid 76 and name HG1 )) 2.900 1.100 1.100 peak 159 spectrum 1 weight 0.10000E+01 volume 0.13337E-02 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volume 0.12804E-02 ppm1 0.554 ppm2 4.613 CV 1 ASSI { 166} ( segid "T22D" and resid 99 and name HG2%) (( segid "T22D" and resid 102 and name HA2 )) 2.200 0.600 0.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.10262E-01 ppm1 0.553 ppm2 4.151 CV 1 ASSI { 167} ( segid "T22D" and resid 67 and name HG2%) (( segid "T22D" and resid 76 and name HG2 )) 4.000 2.000 2.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.14644E-02 ppm1 0.874 ppm2 1.503 CV 1 ASSI { 168} ( segid "T22D" and resid 99 and name HG2%) (( segid "T22D" and resid 102 and name HA1 )) 3.500 1.500 1.500 peak 168 spectrum 1 weight 0.10000E+01 volume 0.44408E-02 ppm1 0.553 ppm2 3.446 CV 1 ASSI { 169} ( segid "T22D" and resid 67 and name HG2%) (( segid "T22D" and resid 66 and name HA )) 4.800 2.900 1.200 peak 169 spectrum 1 weight 0.10000E+01 volume 0.68811E-03 ppm1 0.870 ppm2 3.750 CV 1 ASSI { 170} ( segid "T22D" and resid 67 and name HG2%) (( segid "T22D" and resid 69 and name HA )) 3.200 1.300 1.300 peak 170 spectrum 1 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and name HA )) 2.100 0.500 0.500 peak 186 spectrum 1 weight 0.10000E+01 volume 0.12145E-01 ppm1 1.648 ppm2 4.127 CV 1 ASSI { 187} ( segid "T22D" and resid 110 and name HB% ) ( segid "T22D" and resid 38 and name HD% ) 4.000 2.000 2.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.12151E-02 ppm1 1.649 ppm2 6.678 CV 1 ASSI { 190} ( segid "T22D" and resid 110 and name HB% ) (( segid "T22D" and resid 36 and name HE2 )) 2.700 0.900 0.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.27264E-02 ppm1 1.649 ppm2 2.248 CV 1 ASSI { 192} ( segid "T22D" and resid 87 and name HB% ) (( segid "T22D" and resid 87 and name HA )) 1.900 0.500 0.500 peak 192 spectrum 1 weight 0.10000E+01 volume 0.27811E-01 ppm1 1.516 ppm2 4.236 CV 1 ASSI { 193} ( segid "T22D" and resid 87 and name HB% ) (( segid "T22D" and resid 88 and name HA )) 3.500 1.500 1.500 peak 193 spectrum 1 weight 0.10000E+01 volume 0.12847E-02 ppm1 1.518 ppm2 4.339 CV 1 ASSI { 194} ( segid "T22D" and resid 87 and name HB% ) (( segid "T22D" and resid 91 and name HG2 )) 2.700 0.900 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.33877E-02 ppm1 1.520 ppm2 2.088 CV 1 ASSI { 197} ( segid "T22D" and resid 61 and name HG2%) ( segid "T22D" and resid 81 and name HG2%) 2.800 1.000 1.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.76005E-02 ppm1 0.602 ppm2 0.287 CV 1 ASSI { 199} ( segid "T22D" and resid 61 and name HG2%) ( segid "T22D" and resid 83 and name HE% ) 4.100 2.100 1.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.11640E-02 ppm1 0.616 ppm2 1.935 CV 1 ASSI { 200} ( segid "T22D" and resid 89 and name HB% ) (( segid "T22D" and resid 83 and name HB2 )) 2.500 0.800 0.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.25226E-02 ppm1 1.591 ppm2 1.992 CV 1 ASSI { 201} ( segid "T22D" and resid 61 and name HG2%) (( segid "T22D" and resid 61 and name HB )) 2.100 0.500 0.500 peak 201 spectrum 1 weight 0.10000E+01 volume 0.10562E-01 ppm1 0.605 ppm2 1.471 CV 1 ASSI { 202} ( segid "T22D" and resid 61 and name HG2%) (( segid "T22D" and resid 61 and name HA )) 2.300 0.700 0.700 peak 202 spectrum 1 weight 0.10000E+01 volume 0.71922E-02 ppm1 0.608 ppm2 4.111 CV 1 ASSI { 203} ( segid "T22D" and resid 61 and name HG2%) ( segid "T22D" and resid 64 and name HB% ) 2.100 0.500 0.500 peak 203 spectrum 1 weight 0.10000E+01 volume 0.97510E-02 ppm1 0.605 ppm2 1.332 CV 1 ASSI { 204} ( segid "T22D" and resid 37 and name HG2%) ( segid "T22D" and resid 89 and name HB% ) 4.200 2.200 1.800 peak 204 spectrum 1 weight 0.10000E+01 volume 0.15662E-02 ppm1 0.687 ppm2 1.588 CV 1 ASSI { 205} ( segid "T22D" and resid 37 and name HG2%) (( segid "T22D" and resid 107 and name HA )) 3.500 1.500 1.500 peak 205 spectrum 1 weight 0.10000E+01 volume 0.14162E-02 ppm1 0.681 ppm2 5.168 CV 1 ASSI { 206} ( segid "T22D" and resid 37 and name HG2%) (( segid "T22D" and resid 89 and name HA )) 4.600 2.700 1.400 peak 206 spectrum 1 weight 0.10000E+01 volume 0.13859E-02 ppm1 0.692 ppm2 4.111 CV 1 ASSI { 208} ( segid "T22D" and resid 61 and name HG2%) (( segid "T22D" and resid 52 and name HD2 )) 2.900 1.000 1.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.17729E-02 ppm1 0.622 ppm2 7.303 CV 1 ASSI { 209} ( segid "T22D" and resid 61 and name HG2%) (( segid "T22D" and resid 63 and name HA )) 2.900 1.000 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.22936E-02 ppm1 0.609 ppm2 4.533 CV 1 ASSI { 210} ( segid "T22D" and resid 89 and name HB% ) (( segid "T22D" and resid 89 and name HA )) 2.100 0.500 0.500 peak 210 spectrum 1 weight 0.10000E+01 volume 0.97769E-02 ppm1 1.597 ppm2 4.109 CV 1 ASSI { 211} ( segid "T22D" and resid 37 and name HG2%) (( segid "T22D" and resid 80 and name HA )) 4.400 2.400 1.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.41698E-03 ppm1 0.680 ppm2 5.599 CV 1 ASSI { 213} ( segid "T22D" and resid 61 and name HG2%) (( segid "T22D" and resid 62 and name HA )) 3.300 1.400 1.400 peak 213 spectrum 1 weight 0.10000E+01 volume 0.15082E-02 ppm1 0.613 ppm2 4.401 CV 1 ASSI { 214} ( segid "T22D" and resid 61 and name HG2%) (( segid "T22D" and resid 61 and name HG11)) 3.200 1.300 1.300 peak 214 spectrum 1 weight 0.10000E+01 volume 0.35083E-02 ppm1 0.606 ppm2 1.529 CV 1 ASSI { 215} ( segid "T22D" and resid 61 and name HG2%) (( segid "T22D" and resid 64 and name HA )) 3.500 1.500 1.500 peak 215 spectrum 1 weight 0.10000E+01 volume 0.14315E-02 ppm1 0.608 ppm2 5.257 CV 1 ASSI { 216} ( segid "T22D" and resid 37 and name HG2%) (( segid "T22D" and resid 107 and name HB )) 4.000 2.000 2.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.17900E-02 ppm1 0.682 ppm2 2.010 CV 1 ASSI { 217} ( segid "T22D" and resid 89 and name HB% ) (( segid "T22D" and resid 37 and name HG12)) 2.900 1.100 1.100 peak 217 spectrum 1 weight 0.10000E+01 volume 0.15265E-02 ppm1 1.598 ppm2 0.528 CV 1 ASSI { 219} ( segid "T22D" and resid 37 and name HG2%) (( segid "T22D" and resid 109 and name HA )) 2.800 1.000 1.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.23007E-02 ppm1 0.693 ppm2 4.477 CV 1 ASSI { 220} ( segid "T22D" and resid 89 and name HB% ) (( segid "T22D" and resid 35 and name HB )) 3.500 1.500 1.500 peak 220 spectrum 1 weight 0.10000E+01 volume 0.23917E-02 ppm1 1.584 ppm2 4.583 CV 1 ASSI { 222} ( segid "T22D" and resid 89 and name HB% ) (( segid "T22D" and resid 86 and name HA )) 2.200 0.600 0.600 peak 222 spectrum 1 weight 0.10000E+01 volume 0.87819E-02 ppm1 1.590 ppm2 4.073 CV 1 ASSI { 225} ( segid "T22D" and resid 61 and name HG2%) (( segid "T22D" and resid 83 and name HA )) 3.300 1.400 1.400 peak 225 spectrum 1 weight 0.10000E+01 volume 0.23668E-02 ppm1 0.601 ppm2 5.090 CV 1 ASSI { 226} ( segid "T22D" and resid 89 and name HB% ) (( segid "T22D" and resid 83 and name HG2 )) 2.700 0.900 0.900 peak 226 spectrum 1 weight 0.10000E+01 volume 0.58840E-02 ppm1 1.591 ppm2 2.559 CV 1 OR { 226} ( segid "T22D" and resid 89 and name HB% ) (( segid "T22D" and resid 83 and name HB1 )) ASSI { 228} ( segid "T22D" and resid 89 and name HB% ) (( segid "T22D" and resid 35 and name HA )) 2.100 0.500 0.500 peak 228 spectrum 1 weight 0.10000E+01 volume 0.11695E-01 ppm1 1.590 ppm2 4.408 CV 1 ASSI { 230} ( segid "T22D" and resid 37 and name HG2%) (( segid "T22D" and resid 37 and name HG11)) 3.200 1.300 1.300 peak 230 spectrum 1 weight 0.10000E+01 volume 0.34491E-02 ppm1 0.685 ppm2 1.719 CV 1 ASSI { 231} ( segid "T22D" and resid 37 and name HG2%) (( segid "T22D" and resid 37 and name HB )) 2.300 0.700 0.700 peak 231 spectrum 1 weight 0.10000E+01 volume 0.57268E-02 ppm1 0.682 ppm2 1.890 CV 1 ASSI { 232} ( segid "T22D" and resid 89 and name HB% ) (( segid "T22D" and resid 88 and name HB1 )) 2.900 2.900 3.100 peak 232 spectrum 1 weight 0.10000E+01 volume 0.64045E-03 ppm1 1.587 ppm2 3.859 CV 1 ASSI { 233} ( segid "T22D" and resid 37 and name HG2%) (( segid "T22D" and resid 37 and name HA )) 2.400 0.700 0.700 peak 233 spectrum 1 weight 0.10000E+01 volume 0.48177E-02 ppm1 0.680 ppm2 4.204 CV 1 ASSI { 235} ( segid "T22D" and resid 26 and name HB% ) (( segid "T22D" and resid 116 and name HD2 )) 3.300 3.300 2.700 peak 235 spectrum 1 weight 0.10000E+01 volume 0.16720E-02 ppm1 1.359 ppm2 3.614 CV 1 ASSI { 237} ( segid "T22D" and resid 26 and name HB% ) (( segid "T22D" and resid 26 and name HA )) 2.500 0.800 0.800 peak 237 spectrum 1 weight 0.10000E+01 volume 0.68999E-02 ppm1 1.364 ppm2 4.315 CV 1 ASSI { 238} ( segid "T22D" and resid 114 and name HB% ) (( segid "3T5T" and resid 5 and name H2'')) 3.400 1.400 1.400 peak 238 spectrum 1 weight 0.10000E+01 volume 0.12552E-02 ppm1 1.282 ppm2 2.442 CV 1 ASSI { 239} ( segid "T22D" and resid 114 and name HB% ) (( segid "T22D" and resid 111 and name HA )) 2.300 0.700 0.700 peak 239 spectrum 1 weight 0.10000E+01 volume 0.79478E-02 ppm1 1.289 ppm2 4.435 CV 1 ASSI { 241} ( segid "T22D" and resid 114 and name HB% ) (( segid "3T5T" and resid 5 and name H1' )) 3.700 1.700 1.700 peak 241 spectrum 1 weight 0.10000E+01 volume 0.75696E-03 ppm1 1.290 ppm2 6.573 CV 1 ASSI { 242} ( segid "T22D" and resid 114 and name HB% ) (( segid "T22D" and resid 114 and name HA )) 2.000 0.500 0.500 peak 242 spectrum 1 weight 0.10000E+01 volume 0.21425E-01 ppm1 1.286 ppm2 4.009 CV 1 ASSI { 244} ( segid "T22D" and resid 114 and name HB% ) (( segid "T22D" and resid 111 and name HB2 )) 3.900 1.900 1.900 peak 244 spectrum 1 weight 0.10000E+01 volume 0.12660E-02 ppm1 1.293 ppm2 3.221 CV 1 ASSI { 245} ( segid "T22D" and resid 114 and name HB% ) (( segid "T22D" and resid 111 and name HB1 )) 2.700 2.700 3.300 peak 245 spectrum 1 weight 0.10000E+01 volume 0.11757E-02 ppm1 1.288 ppm2 2.937 CV 1 ASSI { 248} ( segid "T22D" and resid 92 and name HB% ) (( segid "T22D" and resid 55 and name HB2 )) 3.100 1.200 1.200 peak 248 spectrum 1 weight 0.10000E+01 volume 0.44991E-03 ppm1 1.426 ppm2 3.253 CV 1 ASSI { 252} ( segid "T22D" and resid 65 and name HG2%) (( segid "T22D" and resid 79 and name HA1 )) 3.900 1.900 1.900 peak 252 spectrum 1 weight 0.10000E+01 volume 0.96764E-03 ppm1 0.942 ppm2 3.784 CV 1 OR { 252} ( segid "T22D" and resid 65 and name HG1%) (( segid "T22D" and resid 79 and name HA1 )) ASSI { 253} ( segid "T22D" and resid 65 and name HG2%) (( segid "T22D" and resid 79 and name HA2 )) 3.900 1.900 1.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.64533E-03 ppm1 0.932 ppm2 3.939 CV 1 ASSI { 254} ( segid "T22D" and resid 65 and name HG1%) (( segid "T22D" and resid 63 and name HB1 )) 3.000 1.100 1.100 peak 254 spectrum 1 weight 0.10000E+01 volume 0.37862E-02 ppm1 0.939 ppm2 1.997 CV 1 OR { 254} ( segid "T22D" and resid 65 and name HG2%) (( segid "T22D" and resid 63 and name HB1 )) OR { 254} ( segid "T22D" and resid 65 and name HG2%) (( segid "T22D" and resid 63 and name HB2 )) ASSI { 255} ( segid "T22D" and resid 92 and name HB% ) (( segid "T22D" and resid 92 and name HA )) 2.100 0.600 0.600 peak 255 spectrum 1 weight 0.10000E+01 volume 0.13701E-01 ppm1 1.415 ppm2 1.923 CV 1 ASSI { 256} ( segid "T22D" and resid 92 and name HB% ) (( segid "T22D" and resid 89 and name HA )) 2.500 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.45905E-02 ppm1 1.421 ppm2 4.107 CV 1 ASSI { 257} ( segid "T22D" and resid 92 and name HB% ) ( segid "T22D" and resid 55 and name HD% ) 2.500 0.800 0.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.39250E-02 ppm1 1.419 ppm2 7.779 CV 1 ASSI { 258} ( segid "T22D" and resid 65 and name HG2%) (( segid "T22D" and resid 80 and name HB1 )) 3.200 1.300 1.300 peak 258 spectrum 1 weight 0.10000E+01 volume 0.41429E-02 ppm1 0.942 ppm2 2.174 CV 1 OR { 258} ( segid "T22D" and resid 65 and name HG1%) (( segid "T22D" and resid 80 and name HB1 )) ASSI { 259} ( segid "T22D" and resid 65 and name HG1%) (( segid "T22D" and resid 64 and name HA )) 3.200 1.300 1.300 peak 259 spectrum 1 weight 0.10000E+01 volume 0.30664E-02 ppm1 0.943 ppm2 5.264 CV 1 OR { 259} ( segid "T22D" and resid 65 and name HG2%) (( segid "T22D" and resid 64 and name HA )) ASSI { 260} ( segid "T22D" and resid 65 and name HG2%) (( segid "T22D" and resid 80 and name HB2 )) 2.600 0.900 0.900 peak 260 spectrum 1 weight 0.10000E+01 volume 0.32233E-02 ppm1 0.938 ppm2 2.773 CV 1 OR { 260} ( segid "T22D" and resid 65 and name HG1%) (( segid "T22D" and resid 80 and name HB2 )) ASSI { 261} ( segid "T22D" and resid 92 and name HB% ) ( segid "T22D" and resid 58 and name HD% ) 2.800 1.000 1.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.29618E-02 ppm1 1.422 ppm2 7.357 CV 1 ASSI { 263} ( segid "T22D" and resid 92 and name HB% ) (( segid "T22D" and resid 58 and name HB1 )) 3.100 1.200 1.200 peak 263 spectrum 1 weight 0.10000E+01 volume 0.25436E-02 ppm1 1.419 ppm2 2.886 CV 1 ASSI { 264} ( segid "T22D" and resid 65 and name HG2%) (( segid "T22D" and resid 80 and name HA )) 3.900 1.900 1.900 peak 264 spectrum 1 weight 0.10000E+01 volume 0.11005E-02 ppm1 0.942 ppm2 5.586 CV 1 OR { 264} ( segid "T22D" and resid 65 and name HG1%) (( segid "T22D" and resid 80 and name HA )) ASSI { 265} ( segid "T22D" and resid 92 and name HB% ) (( segid "T22D" and resid 58 and name HB2 )) 2.800 1.000 1.000 peak 265 spectrum 1 weight 0.10000E+01 volume 0.20353E-02 ppm1 1.420 ppm2 3.668 CV 1 ASSI { 266} ( segid "T22D" and resid 92 and name HB% ) ( segid "T22D" and resid 55 and name HE% ) 2.800 1.000 1.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.30580E-02 ppm1 1.414 ppm2 7.309 CV 1 ASSI { 267} ( segid "T22D" and resid 65 and name HG2%) ( segid "T22D" and resid 80 and name HD% ) 3.200 1.300 1.300 peak 267 spectrum 1 weight 0.10000E+01 volume 0.24900E-02 ppm1 0.939 ppm2 6.606 CV 1 OR { 267} ( segid "T22D" and resid 65 and name HG1%) ( segid "T22D" and resid 80 and name HD% ) ASSI { 269} ( segid "T22D" and resid 92 and name HB% ) ( segid "T22D" and resid 58 and name HE% ) 3.700 1.700 1.700 peak 269 spectrum 1 weight 0.10000E+01 volume 0.83515E-03 ppm1 1.421 ppm2 6.962 CV 1 ASSI { 270} ( segid "T22D" and resid 65 and name HG1%) (( segid "T22D" and resid 48 and name HB1 )) 3.600 1.600 1.600 peak 270 spectrum 1 weight 0.10000E+01 volume 0.85058E-03 ppm1 0.938 ppm2 2.990 CV 1 OR { 270} ( segid "T22D" and resid 65 and name HG2%) (( segid "T22D" and resid 48 and name HB1 )) ASSI { 271} ( segid "T22D" and resid 65 and name HG2%) (( segid "T22D" and resid 65 and name HB )) 1.900 0.500 0.500 peak 271 spectrum 1 weight 0.10000E+01 volume 0.24053E-01 ppm1 0.942 ppm2 1.927 CV 1 OR { 271} ( segid "T22D" and resid 65 and name HG1%) (( segid "T22D" and resid 65 and name HB )) ASSI { 272} ( segid "T22D" and resid 65 and name HG1%) (( segid "T22D" and resid 65 and name HA )) 2.400 0.700 0.700 peak 272 spectrum 1 weight 0.10000E+01 volume 0.72752E-02 ppm1 0.945 ppm2 4.746 CV 1 OR { 272} ( segid "T22D" and resid 65 and name HG2%) (( segid "T22D" and resid 65 and name HA )) ASSI { 273} ( segid "T22D" and resid 65 and name HG2%) ( segid "T22D" and resid 80 and name HE% ) 4.700 2.800 1.300 peak 273 spectrum 1 weight 0.10000E+01 volume 0.42965E-03 ppm1 0.937 ppm2 7.162 CV 1 OR { 273} ( segid "T22D" and resid 65 and name HG1%) ( segid "T22D" and resid 80 and name HE% ) ASSI { 277} ( segid "T22D" and resid 65 and name HG1%) (( segid "T22D" and resid 63 and name HG2 )) 2.900 1.000 1.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.30344E-02 ppm1 0.944 ppm2 2.356 CV 1 OR { 277} ( segid "T22D" and resid 65 and name HG2%) (( segid "T22D" and resid 63 and name HG2 )) ASSI { 278} ( segid "T22D" and resid 65 and name HG2%) (( segid "T22D" and resid 66 and name HA )) 3.400 1.400 1.400 peak 278 spectrum 1 weight 0.10000E+01 volume 0.13831E-02 ppm1 0.941 ppm2 3.748 CV 1 OR { 278} ( segid "T22D" and resid 65 and name HG1%) (( segid "T22D" and resid 66 and name HA )) ASSI { 279} ( segid "T22D" and resid 65 and name HG2%) ( segid "T22D" and resid 67 and name HD1%) 2.100 0.500 0.500 peak 279 spectrum 1 weight 0.10000E+01 volume 0.14578E-01 ppm1 0.937 ppm2 0.762 CV 1 ASSI { 281} ( segid "T22D" and resid 64 and name HB% ) (( segid "T22D" and resid 52 and name HD2 )) 2.700 0.900 0.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.30853E-02 ppm1 1.337 ppm2 7.306 CV 1 ASSI { 282} ( segid "T22D" and resid 64 and name HB% ) (( segid "T22D" and resid 64 and name HA )) 2.200 0.600 0.600 peak 282 spectrum 1 weight 0.10000E+01 volume 0.79929E-02 ppm1 1.334 ppm2 5.261 CV 1 ASSI { 284} ( segid "T22D" and resid 64 and name HB% ) (( segid "T22D" and resid 52 and name HA )) 2.300 0.700 0.700 peak 284 spectrum 1 weight 0.10000E+01 volume 0.65221E-02 ppm1 1.333 ppm2 3.748 CV 1 ASSI { 285} ( segid "T22D" and resid 64 and name HB% ) ( segid "T22D" and resid 81 and name HG1%) 2.500 0.800 0.800 peak 285 spectrum 1 weight 0.10000E+01 volume 0.86980E-02 ppm1 1.332 ppm2 0.531 CV 1 ASSI { 287} ( segid "T22D" and resid 64 and name HB% ) (( segid "T22D" and resid 52 and name HB1 )) 2.200 0.600 0.600 peak 287 spectrum 1 weight 0.10000E+01 volume 0.62885E-02 ppm1 1.331 ppm2 3.591 CV 1 OR { 287} ( segid "T22D" and resid 64 and name HB% ) (( segid "T22D" and resid 52 and name HB2 )) ASSI { 288} ( segid "T22D" and resid 64 and name HB% ) ( segid "T22D" and resid 81 and name HG2%) 2.200 0.600 0.600 peak 288 spectrum 1 weight 0.10000E+01 volume 0.98882E-02 ppm1 1.331 ppm2 0.269 CV 1 ASSI { 289} ( segid "T22D" and resid 120 and name HG2%) (( segid "T22D" and resid 120 and name HA )) 2.800 0.900 0.900 peak 289 spectrum 1 weight 0.10000E+01 volume 0.37386E-02 ppm1 0.927 ppm2 4.118 CV 1 ASSI { 290} ( segid "T22D" and resid 66 and name HG1%) (( segid "T22D" and resid 79 and name HA1 )) 3.800 1.800 1.800 peak 290 spectrum 1 weight 0.10000E+01 volume 0.91926E-03 ppm1 0.715 ppm2 3.804 CV 1 ASSI { 291} ( segid "T22D" and resid 66 and name HG1%) (( segid "T22D" and resid 79 and name HA2 )) 4.000 2.000 2.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.96784E-03 ppm1 0.715 ppm2 3.950 CV 1 ASSI { 292} ( segid "T22D" and resid 82 and name HG2%) (( segid "T22D" and resid 35 and name HB )) 2.600 0.800 0.800 peak 292 spectrum 1 weight 0.10000E+01 volume 0.38680E-02 ppm1 1.159 ppm2 4.585 CV 1 ASSI { 293} ( segid "T22D" and resid 66 and name HG1%) (( segid "T22D" and resid 75 and name HB2 )) 2.700 0.900 0.900 peak 293 spectrum 1 weight 0.10000E+01 volume 0.43457E-02 ppm1 0.716 ppm2 4.209 CV 1 ASSI { 295} ( segid "T22D" and resid 66 and name HG1%) (( segid "T22D" and resid 75 and name HA )) 2.600 0.800 0.800 peak 295 spectrum 1 weight 0.10000E+01 volume 0.42598E-02 ppm1 0.717 ppm2 4.186 CV 1 ASSI { 296} ( segid "T22D" and resid 120 and name HG2%) (( segid "T22D" and resid 120 and name HB )) 2.500 0.800 0.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.58307E-02 ppm1 0.933 ppm2 2.090 CV 1 ASSI { 297} ( segid "T22D" and resid 66 and name HG1%) (( segid "T22D" and resid 46 and name HB )) 2.400 0.700 0.700 peak 297 spectrum 1 weight 0.10000E+01 volume 0.62339E-02 ppm1 0.719 ppm2 3.746 CV 1 ASSI { 298} ( segid "T22D" and resid 66 and name HG1%) (( segid "T22D" and resid 66 and name HB )) 2.200 0.600 0.600 peak 298 spectrum 1 weight 0.10000E+01 volume 0.10815E-01 ppm1 0.719 ppm2 1.859 CV 1 ASSI { 299} ( segid "T22D" and resid 82 and name HG2%) (( segid "T22D" and resid 62 and name HB2 )) 2.900 1.000 1.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.36917E-02 ppm1 1.154 ppm2 1.814 CV 1 ASSI { 300} ( segid "T22D" and resid 82 and name HG2%) (( segid "T22D" and resid 62 and name HB1 )) 2.600 0.900 0.900 peak 300 spectrum 1 weight 0.10000E+01 volume 0.41818E-02 ppm1 1.159 ppm2 1.699 CV 1 ASSI { 301} ( segid "T22D" and resid 82 and name HG2%) (( segid "T22D" and resid 36 and name HD2 )) 2.300 2.300 3.700 peak 301 spectrum 1 weight 0.10000E+01 volume 0.27067E-02 ppm1 1.166 ppm2 1.605 CV 1 ASSI { 302} ( segid "T22D" and resid 82 and name HG2%) (( segid "T22D" and resid 83 and name HA )) 3.500 1.500 1.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.12235E-02 ppm1 1.175 ppm2 5.095 CV 1 ASSI { 303} ( segid "T22D" and resid 82 and name HG2%) (( segid "T22D" and resid 36 and name HA )) 2.600 0.800 0.800 peak 303 spectrum 1 weight 0.10000E+01 volume 0.43228E-02 ppm1 1.166 ppm2 4.956 CV 1 ASSI { 306} ( segid "T22D" and resid 64 and name HB% ) ( segid "T22D" and resid 55 and name HD% ) 4.200 2.200 1.800 peak 306 spectrum 1 weight 0.10000E+01 volume 0.65492E-03 ppm1 1.339 ppm2 7.784 CV 1 ASSI { 307} ( segid "T22D" and resid 82 and name HG2%) (( segid "T22D" and resid 62 and name HG2 )) 2.900 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.53223E-02 ppm1 1.161 ppm2 2.102 CV 1 OR { 307} ( segid "T22D" and resid 82 and name HG2%) (( segid "T22D" and resid 62 and name HG1 )) ASSI { 309} ( segid "T22D" and resid 82 and name HG2%) (( segid "T22D" and resid 63 and name HG1 )) 2.400 2.400 3.600 peak 309 spectrum 1 weight 0.10000E+01 volume 0.23006E-02 ppm1 1.174 ppm2 2.010 CV 1 ASSI { 310} ( segid "T22D" and resid 82 and name HG2%) (( segid "T22D" and resid 36 and name HB1 )) 2.600 2.600 3.400 peak 310 spectrum 1 weight 0.10000E+01 volume 0.13377E-02 ppm1 1.152 ppm2 1.763 CV 1 ASSI { 311} ( segid "T22D" and resid 82 and name HG2%) (( segid "T22D" and resid 36 and name HG2 )) 2.500 2.500 3.500 peak 311 spectrum 1 weight 0.10000E+01 volume 0.18146E-02 ppm1 1.163 ppm2 1.412 CV 1 ASSI { 312} ( segid "T22D" and resid 82 and name HG2%) (( segid "T22D" and resid 36 and name HD1 )) 2.200 2.200 3.800 peak 312 spectrum 1 weight 0.10000E+01 volume 0.35692E-02 ppm1 1.163 ppm2 1.498 CV 1 ASSI { 313} ( segid "T22D" and resid 32 and name HG2%) (( segid "T22D" and resid 32 and name HA )) 2.000 0.500 0.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.23443E-01 ppm1 1.075 ppm2 4.659 CV 1 ASSI { 314} ( segid "T22D" and resid 82 and name HG2%) (( segid "T22D" and resid 82 and name HB )) 2.100 0.600 0.600 peak 314 spectrum 1 weight 0.10000E+01 volume 0.12054E-01 ppm1 1.161 ppm2 3.912 CV 1 ASSI { 316} ( segid "T22D" and resid 82 and name HG2%) (( segid "T22D" and resid 82 and name HA )) 2.400 0.700 0.700 peak 316 spectrum 1 weight 0.10000E+01 volume 0.64562E-02 ppm1 1.162 ppm2 5.241 CV 1 ASSI { 320} ( segid "T22D" and resid 81 and name HG2%) ( segid "T22D" and resid 39 and name HG2%) 2.300 0.700 0.700 peak 320 spectrum 1 weight 0.10000E+01 volume 0.75734E-02 ppm1 0.273 ppm2 0.594 CV 1 ASSI { 321} ( segid "T22D" and resid 105 and name HB% ) ( segid "T22D" and resid 100 and name HD1%) 2.400 0.700 0.700 peak 321 spectrum 1 weight 0.10000E+01 volume 0.61301E-02 ppm1 1.312 ppm2 0.241 CV 1 ASSI { 322} ( segid "T22D" and resid 105 and name HB% ) (( segid "T22D" and resid 100 and name HG12)) 2.800 1.000 1.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.92435E-03 ppm1 1.315 ppm2 -0.499 CV 1 ASSI { 323} ( segid "T22D" and resid 105 and name HB% ) (( segid "T22D" and resid 98 and name HG2 )) 3.100 1.200 1.200 peak 323 spectrum 1 weight 0.10000E+01 volume 0.12986E-02 ppm1 1.313 ppm2 1.988 CV 1 OR { 323} ( segid "T22D" and resid 105 and name HB% ) (( segid "T22D" and resid 98 and name HG1 )) ASSI { 324} ( segid "T22D" and resid 105 and name HB% ) (( segid "T22D" and resid 106 and name HA )) 3.600 1.700 1.700 peak 324 spectrum 1 weight 0.10000E+01 volume 0.10978E-02 ppm1 1.321 ppm2 5.432 CV 1 ASSI { 325} ( segid "T22D" and resid 72 and name HG2%) (( segid "T22D" and resid 71 and name HB2 )) 2.600 0.800 0.800 peak 325 spectrum 1 weight 0.10000E+01 volume 0.44941E-02 ppm1 1.178 ppm2 2.856 CV 1 ASSI { 327} ( segid "T22D" and resid 81 and name HG2%) (( segid "T22D" and resid 51 and name HB1 )) 2.700 0.900 0.900 peak 327 spectrum 1 weight 0.10000E+01 volume 0.18069E-02 ppm1 0.273 ppm2 1.913 CV 1 ASSI { 328} ( segid "T22D" and resid 81 and name HG2%) ( segid "T22D" and resid 81 and name HG1%) 2.000 0.500 0.500 peak 328 spectrum 1 weight 0.10000E+01 volume 0.18510E-01 ppm1 0.273 ppm2 0.528 CV 1 ASSI { 329} ( segid "T22D" and resid 81 and name HG2%) ( segid "T22D" and resid 55 and name HD% ) 2.900 1.000 1.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.23283E-02 ppm1 0.274 ppm2 7.787 CV 1 ASSI { 330} ( segid "T22D" and resid 72 and name HG2%) (( segid "T22D" and resid 72 and name HA )) 2.100 0.500 0.500 peak 330 spectrum 1 weight 0.10000E+01 volume 0.20537E-01 ppm1 1.178 ppm2 4.364 CV 1 ASSI { 332} ( segid "T22D" and resid 81 and name HG2%) ( segid "T22D" and resid 55 and name HE% ) 3.200 1.300 1.300 peak 332 spectrum 1 weight 0.10000E+01 volume 0.12778E-02 ppm1 0.274 ppm2 7.302 CV 1 ASSI { 333} ( segid "T22D" and resid 68 and name HG2%) (( segid "T22D" and resid 75 and name HB1 )) 3.700 1.700 1.700 peak 333 spectrum 1 weight 0.10000E+01 volume 0.15808E-02 ppm1 0.968 ppm2 4.049 CV 1 ASSI { 334} ( segid "T22D" and resid 68 and name HG2%) (( segid "T22D" and resid 73 and name HB2 )) 3.200 1.300 1.300 peak 334 spectrum 1 weight 0.10000E+01 volume 0.20517E-02 ppm1 0.964 ppm2 2.377 CV 1 OR { 334} ( segid "T22D" and resid 68 and name HG2%) (( segid "T22D" and resid 73 and name HB1 )) ASSI { 335} ( segid "T22D" and resid 68 and name HG2%) (( segid "T22D" and resid 66 and name HB )) 3.000 1.100 1.100 peak 335 spectrum 1 weight 0.10000E+01 volume 0.16693E-02 ppm1 0.951 ppm2 1.861 CV 1 ASSI { 336} ( segid "T22D" and resid 81 and name HG2%) (( segid "T22D" and resid 64 and name HA )) 2.700 0.900 0.900 peak 336 spectrum 1 weight 0.10000E+01 volume 0.39282E-02 ppm1 0.276 ppm2 5.260 CV 1 ASSI { 337} ( segid "T22D" and resid 72 and name HG2%) (( segid "T22D" and resid 72 and name HB )) 1.900 0.400 0.400 peak 337 spectrum 1 weight 0.10000E+01 volume 0.25478E-01 ppm1 1.176 ppm2 4.325 CV 1 ASSI { 338} ( segid "T22D" and resid 81 and name HG2%) (( segid "T22D" and resid 81 and name HB )) 2.300 0.600 0.600 peak 338 spectrum 1 weight 0.10000E+01 volume 0.68978E-02 ppm1 0.273 ppm2 1.088 CV 1 ASSI { 339} ( segid "T22D" and resid 72 and name HG2%) (( segid "T22D" and resid 71 and name HB1 )) 2.900 1.000 1.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.44662E-02 ppm1 1.179 ppm2 3.005 CV 1 ASSI { 342} ( segid "T22D" and resid 72 and name HG2%) (( segid "T22D" and resid 69 and name HB1 )) 3.700 1.700 1.700 peak 342 spectrum 1 weight 0.10000E+01 volume 0.11902E-02 ppm1 1.183 ppm2 2.504 CV 1 ASSI { 345} ( segid "T22D" and resid 81 and name HG2%) (( segid "T22D" and resid 51 and name HA )) 3.700 1.700 1.700 peak 345 spectrum 1 weight 0.10000E+01 volume 0.11271E-02 ppm1 0.263 ppm2 4.129 CV 1 ASSI { 346} ( segid "T22D" and resid 81 and name HG2%) (( segid "T22D" and resid 80 and name HA )) 3.500 1.500 1.500 peak 346 spectrum 1 weight 0.10000E+01 volume 0.13839E-02 ppm1 0.270 ppm2 5.580 CV 1 ASSI { 348} ( segid "T22D" and resid 105 and name HB% ) (( segid "T22D" and resid 41 and name HA1 )) 3.200 1.300 1.300 peak 348 spectrum 1 weight 0.10000E+01 volume 0.26362E-02 ppm1 1.291 ppm2 4.006 CV 1 ASSI { 349} ( segid "T22D" and resid 68 and name HG2%) (( segid "T22D" and resid 68 and name HB )) 1.900 0.500 0.500 peak 349 spectrum 1 weight 0.10000E+01 volume 0.19183E-01 ppm1 0.969 ppm2 3.673 CV 1 ASSI { 350} ( segid "T22D" and resid 68 and name HG2%) (( segid "T22D" and resid 75 and name HA )) 2.000 0.500 0.500 peak 350 spectrum 1 weight 0.10000E+01 volume 0.10560E-01 ppm1 0.970 ppm2 4.181 CV 1 ASSI { 351} ( segid "T22D" and resid 68 and name HG2%) (( segid "T22D" and resid 73 and name HA )) 3.100 1.200 1.200 peak 351 spectrum 1 weight 0.10000E+01 volume 0.43720E-02 ppm1 0.971 ppm2 3.977 CV 1 ASSI { 356} ( segid "T22D" and resid 105 and name HB% ) ( segid "T22D" and resid 39 and name HG1%) 2.400 0.700 0.700 peak 356 spectrum 1 weight 0.10000E+01 volume 0.58891E-02 ppm1 1.309 ppm2 0.681 CV 1 ASSI { 358} ( segid "T22D" and resid 105 and name HB% ) (( segid "T22D" and resid 97 and name HA )) 3.900 1.900 1.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.83857E-03 ppm1 1.322 ppm2 6.040 CV 1 ASSI { 360} ( segid "T22D" and resid 105 and name HB% ) (( segid "T22D" and resid 98 and name HD2 )) 3.000 1.100 1.100 peak 360 spectrum 1 weight 0.10000E+01 volume 0.14495E-02 ppm1 1.311 ppm2 3.172 CV 1 ASSI { 361} ( segid "T22D" and resid 39 and name HG2%) (( segid "T22D" and resid 39 and name HA )) 2.700 0.900 0.900 peak 361 spectrum 1 weight 0.10000E+01 volume 0.30546E-02 ppm1 0.614 ppm2 4.376 CV 1 ASSI { 363} ( segid "T22D" and resid 39 and name HG2%) (( segid "T22D" and resid 55 and name HZ )) 2.700 0.900 0.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.23440E-02 ppm1 0.602 ppm2 7.181 CV 1 ASSI { 364} ( segid "T22D" and resid 118 and name HG2%) (( segid "T22D" and resid 118 and name HB )) 2.200 0.600 0.600 peak 364 spectrum 1 weight 0.10000E+01 volume 0.13713E-01 ppm1 1.187 ppm2 4.202 CV 1 ASSI { 365} ( segid "T22D" and resid 81 and name HG1%) (( segid "T22D" and resid 83 and name HG1 )) 4.000 2.000 2.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.70475E-03 ppm1 0.526 ppm2 2.257 CV 1 ASSI { 366} ( segid "T22D" and resid 81 and name HG1%) (( segid "T22D" and resid 61 and name HG11)) 4.500 2.600 1.500 peak 366 spectrum 1 weight 0.10000E+01 volume 0.61226E-03 ppm1 0.532 ppm2 1.536 CV 1 ASSI { 368} ( segid "T22D" and resid 39 and name HG2%) ( segid "T22D" and resid 55 and name HE% ) 2.800 1.000 1.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.25025E-02 ppm1 0.600 ppm2 7.303 CV 1 ASSI { 370} ( segid "T22D" and resid 39 and name HG2%) (( segid "T22D" and resid 39 and name HB )) 2.100 0.600 0.600 peak 370 spectrum 1 weight 0.10000E+01 volume 0.92322E-02 ppm1 0.603 ppm2 1.445 CV 1 ASSI { 371} ( segid "T22D" and resid 81 and name HG1%) (( segid "T22D" and resid 81 and name HB )) 2.200 0.600 0.600 peak 371 spectrum 1 weight 0.10000E+01 volume 0.72502E-02 ppm1 0.534 ppm2 1.089 CV 1 ASSI { 372} ( segid "T22D" and resid 81 and name HG1%) (( segid "T22D" and resid 55 and name HB2 )) 3.100 1.200 1.200 peak 372 spectrum 1 weight 0.10000E+01 volume 0.23987E-02 ppm1 0.533 ppm2 3.257 CV 1 ASSI { 374} ( segid "T22D" and resid 81 and name HG1%) (( segid "T22D" and resid 55 and name HB1 )) 2.600 0.900 0.900 peak 374 spectrum 1 weight 0.10000E+01 volume 0.19789E-02 ppm1 0.528 ppm2 2.869 CV 1 ASSI { 376} ( segid "T22D" and resid 81 and name HG1%) (( segid "T22D" and resid 64 and name HA )) 3.200 1.300 1.300 peak 376 spectrum 1 weight 0.10000E+01 volume 0.26241E-02 ppm1 0.529 ppm2 5.256 CV 1 ASSI { 377} ( segid "T22D" and resid 81 and name HG1%) ( segid "T22D" and resid 55 and name HD% ) 2.900 1.100 1.100 peak 377 spectrum 1 weight 0.10000E+01 volume 0.21294E-02 ppm1 0.530 ppm2 7.790 CV 1 ASSI { 378} ( segid "T22D" and resid 39 and name HG1%) (( segid "T22D" and resid 39 and name HB )) 2.100 0.600 0.600 peak 378 spectrum 1 weight 0.10000E+01 volume 0.76217E-02 ppm1 0.684 ppm2 1.445 CV 1 ASSI { 379} ( segid "T22D" and resid 39 and name HG1%) (( segid "T22D" and resid 39 and name HA )) 2.500 0.800 0.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.38836E-02 ppm1 0.682 ppm2 4.375 CV 1 ASSI { 380} ( segid "T22D" and resid 66 and name HG2%) (( segid "T22D" and resid 48 and name HB2 )) 4.700 2.800 1.300 peak 380 spectrum 1 weight 0.10000E+01 volume 0.49287E-03 ppm1 0.606 ppm2 2.757 CV 1 ASSI { 381} ( segid "T22D" and resid 66 and name HG2%) (( segid "T22D" and resid 48 and name HB1 )) 4.700 2.800 1.300 peak 381 spectrum 1 weight 0.10000E+01 volume 0.42444E-03 ppm1 0.604 ppm2 2.987 CV 1 ASSI { 382} ( segid "T22D" and resid 39 and name HG1%) ( segid "T22D" and resid 55 and name HE% ) 3.200 1.300 1.300 peak 382 spectrum 1 weight 0.10000E+01 volume 0.14647E-02 ppm1 0.672 ppm2 7.303 CV 1 ASSI { 383} ( segid "T22D" and resid 66 and name HG2%) (( segid "T22D" and resid 48 and name HA )) 2.300 0.700 0.700 peak 383 spectrum 1 weight 0.10000E+01 volume 0.53899E-02 ppm1 0.592 ppm2 4.055 CV 1 ASSI { 384} ( segid "T22D" and resid 66 and name HG2%) (( segid "T22D" and resid 66 and name HB )) 2.200 0.600 0.600 peak 384 spectrum 1 weight 0.10000E+01 volume 0.98611E-02 ppm1 0.597 ppm2 1.859 CV 1 ASSI { 385} ( segid "T22D" and resid 35 and name HG2%) (( segid "T22D" and resid 86 and name HB2 )) 3.100 1.200 1.200 peak 385 spectrum 1 weight 0.10000E+01 volume 0.23676E-02 ppm1 0.799 ppm2 1.843 CV 1 OR { 385} ( segid "T22D" and resid 35 and name HG2%) (( segid "T22D" and resid 86 and name HB1 )) OR { 385} ( segid "T22D" and resid 35 and name HG2%) (( segid "T22D" and resid 86 and name HG2 )) ASSI { 386} ( segid "T22D" and resid 66 and name HG2%) (( segid "T22D" and resid 66 and name HA )) 2.300 0.700 0.700 peak 386 spectrum 1 weight 0.10000E+01 volume 0.60717E-02 ppm1 0.596 ppm2 3.736 CV 1 ASSI { 388} ( segid "T22D" and resid 35 and name HG2%) ( segid "T22D" and resid 89 and name HB% ) 2.900 1.000 1.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.61355E-02 ppm1 0.799 ppm2 1.596 CV 1 ASSI { 389} ( segid "T22D" and resid 35 and name HG2%) (( segid "T22D" and resid 35 and name HA )) 2.200 0.600 0.600 peak 389 spectrum 1 weight 0.10000E+01 volume 0.12784E-01 ppm1 0.802 ppm2 4.408 CV 1 ASSI { 390} ( segid "T22D" and resid 35 and name HG2%) (( segid "T22D" and resid 86 and name HB2 )) 2.900 1.100 1.100 peak 390 spectrum 1 weight 0.10000E+01 volume 0.28634E-02 ppm1 0.805 ppm2 1.922 CV 1 OR { 390} ( segid "T22D" and resid 35 and name HG2%) (( segid "T22D" and resid 86 and name HB1 )) ASSI { 391} ( segid "T22D" and resid 35 and name HG2%) (( segid "T22D" and resid 86 and name HA )) 2.300 0.600 0.600 peak 391 spectrum 1 weight 0.10000E+01 volume 0.96905E-02 ppm1 0.802 ppm2 4.069 CV 1 ASSI { 392} ( segid "T22D" and resid 35 and name HG2%) (( segid "T22D" and resid 34 and name HB1 )) 3.100 1.200 1.200 peak 392 spectrum 1 weight 0.10000E+01 volume 0.24104E-02 ppm1 0.802 ppm2 2.743 CV 1 ASSI { 393} ( segid "T22D" and resid 35 and name HG2%) (( segid "T22D" and resid 35 and name HB )) 2.100 0.500 0.500 peak 393 spectrum 1 weight 0.10000E+01 volume 0.14463E-01 ppm1 0.802 ppm2 4.583 CV 1 ASSI { 394} ( segid "T22D" and resid 35 and name HG2%) (( segid "T22D" and resid 83 and name HB1 )) 3.800 1.800 1.800 peak 394 spectrum 1 weight 0.10000E+01 volume 0.15536E-02 ppm1 0.806 ppm2 2.560 CV 1 OR { 394} ( segid "T22D" and resid 35 and name HG2%) (( segid "T22D" and resid 83 and name HG2 )) ASSI { 395} ( segid "T22D" and resid 35 and name HG2%) (( segid "T22D" and resid 34 and name HB2 )) 3.500 1.500 1.500 peak 395 spectrum 1 weight 0.10000E+01 volume 0.86171E-03 ppm1 0.804 ppm2 3.524 CV 1 ASSI { 397} ( segid "T22D" and resid 107 and name HG1%) ( segid "T22D" and resid 55 and name HE% ) 2.600 0.900 0.900 peak 397 spectrum 1 weight 0.10000E+01 volume 0.26699E-02 ppm1 1.037 ppm2 7.304 CV 1 OR { 397} ( segid "T22D" and resid 107 and name HG2%) ( segid "T22D" and resid 55 and name HE% ) ASSI { 398} ( segid "T22D" and resid 107 and name HG2%) (( segid "T22D" and resid 96 and name HA )) 2.900 1.100 1.100 peak 398 spectrum 1 weight 0.10000E+01 volume 0.36453E-02 ppm1 1.034 ppm2 4.703 CV 1 ASSI { 399} ( segid "T22D" and resid 107 and name HG1%) (( segid "T22D" and resid 38 and name HA )) 3.300 3.300 2.700 peak 399 spectrum 1 weight 0.10000E+01 volume 0.20211E-02 ppm1 1.061 ppm2 4.638 CV 1 ASSI { 400} ( segid "T22D" and resid 107 and name HG2%) ( segid "T22D" and resid 100 and name HD1%) 3.100 1.200 1.200 peak 400 spectrum 1 weight 0.10000E+01 volume 0.22694E-02 ppm1 1.034 ppm2 0.242 CV 1 ASSI { 401} ( segid "T22D" and resid 112 and name HD2%) (( segid "T22D" and resid 112 and name HB2 )) 3.000 1.100 1.100 peak 401 spectrum 1 weight 0.10000E+01 volume 0.67981E-02 ppm1 0.641 ppm2 1.366 CV 1 ASSI { 404} ( segid "T22D" and resid 107 and name HG1%) (( segid "T22D" and resid 93 and name HA )) 2.300 0.600 0.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.78052E-02 ppm1 1.048 ppm2 4.259 CV 1 OR { 404} ( segid "T22D" and resid 107 and name HG2%) (( segid "T22D" and resid 93 and name HA )) ASSI { 406} ( segid "T22D" and resid 50 and name HG2%) (( segid "T22D" and resid 101 and name HB1 )) 3.200 1.300 1.300 peak 406 spectrum 1 weight 0.10000E+01 volume 0.31547E-02 ppm1 1.273 ppm2 2.247 CV 1 ASSI { 407} ( segid "T22D" and resid 112 and name HD2%) ( segid "T22D" and resid 111 and name HD% ) 3.300 1.400 1.400 peak 407 spectrum 1 weight 0.10000E+01 volume 0.22578E-02 ppm1 0.635 ppm2 7.096 CV 1 ASSI { 409} ( segid "T22D" and resid 112 and name HD2%) ( segid "T22D" and resid 111 and name HE% ) 2.400 0.700 0.700 peak 409 spectrum 1 weight 0.10000E+01 volume 0.66201E-02 ppm1 0.634 ppm2 6.728 CV 1 ASSI { 410} ( segid "T22D" and resid 50 and name HG2%) (( segid "T22D" and resid 50 and name HB )) 2.000 0.500 0.500 peak 410 spectrum 1 weight 0.10000E+01 volume 0.17916E-01 ppm1 1.269 ppm2 4.489 CV 1 ASSI { 411} ( segid "T22D" and resid 42 and name HD2%) (( segid "T22D" and resid 42 and name HG )) 2.300 0.700 0.700 peak 411 spectrum 1 weight 0.10000E+01 volume 0.43970E-02 ppm1 0.668 ppm2 1.269 CV 1 ASSI { 412} ( segid "T22D" and resid 42 and name HD2%) (( segid "T22D" and resid 42 and name HB2 )) 2.300 0.700 0.700 peak 412 spectrum 1 weight 0.10000E+01 volume 0.26836E-01 ppm1 0.640 ppm2 0.951 CV 1 ASSI { 413} ( segid "T22D" and resid 50 and name HG2%) (( segid "T22D" and resid 53 and name HG2 )) 3.700 3.700 2.300 peak 413 spectrum 1 weight 0.10000E+01 volume 0.12686E-02 ppm1 1.273 ppm2 2.665 CV 1 ASSI { 414} ( segid "T22D" and resid 50 and name HG2%) ( segid "T22D" and resid 100 and name HG2%) 2.600 0.900 0.900 peak 414 spectrum 1 weight 0.10000E+01 volume 0.36907E-02 ppm1 1.272 ppm2 0.427 CV 1 ASSI { 415} ( segid "T22D" and resid 107 and name HG1%) (( segid "T22D" and resid 93 and name HB1 )) 3.600 1.700 1.700 peak 415 spectrum 1 weight 0.10000E+01 volume 0.12847E-02 ppm1 1.050 ppm2 3.039 CV 1 ASSI { 416} ( segid "T22D" and resid 112 and name HD2%) (( segid "T22D" and resid 112 and name HB1 )) 2.300 0.600 0.600 peak 416 spectrum 1 weight 0.10000E+01 volume 0.88849E-02 ppm1 0.633 ppm2 1.495 CV 1 ASSI { 417} ( segid "T22D" and resid 50 and name HG2%) (( segid "T22D" and resid 50 and name HA )) 2.200 0.600 0.600 peak 417 spectrum 1 weight 0.10000E+01 volume 0.12724E-01 ppm1 1.270 ppm2 4.178 CV 1 ASSI { 419} ( segid "T22D" and resid 107 and name HG1%) ( segid "T22D" and resid 37 and name HG2%) 1.800 0.400 0.400 peak 419 spectrum 1 weight 0.10000E+01 volume 0.23723E-01 ppm1 1.047 ppm2 0.680 CV 1 ASSI { 420} ( segid "T22D" and resid 50 and name HG2%) (( segid "T22D" and resid 46 and name HB )) 4.400 2.400 1.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.11043E-02 ppm1 1.274 ppm2 3.746 CV 1 ASSI { 421} ( segid "T22D" and resid 50 and name HG2%) (( segid "T22D" and resid 101 and name HB2 )) 2.900 1.100 1.100 peak 421 spectrum 1 weight 0.10000E+01 volume 0.20550E-02 ppm1 1.270 ppm2 3.003 CV 1 ASSI { 422} ( segid "T22D" and resid 112 and name HD2%) (( segid "T22D" and resid 112 and name HA )) 2.000 0.500 0.500 peak 422 spectrum 1 weight 0.10000E+01 volume 0.16707E-01 ppm1 0.635 ppm2 3.668 CV 1 ASSI { 423} ( segid "T22D" and resid 107 and name HG1%) (( segid "T22D" and resid 107 and name HA )) 2.200 0.600 0.600 peak 423 spectrum 1 weight 0.10000E+01 volume 0.87097E-02 ppm1 1.041 ppm2 5.168 CV 1 ASSI { 425} ( segid "T22D" and resid 107 and name HG1%) (( segid "T22D" and resid 93 and name HB2 )) 3.600 1.600 1.600 peak 425 spectrum 1 weight 0.10000E+01 volume 0.20579E-02 ppm1 1.046 ppm2 2.799 CV 1 ASSI { 426} ( segid "T22D" and resid 107 and name HG2%) (( segid "T22D" and resid 55 and name HZ )) 2.500 0.800 0.800 peak 426 spectrum 1 weight 0.10000E+01 volume 0.39589E-02 ppm1 1.038 ppm2 7.182 CV 1 OR { 426} ( segid "T22D" and resid 107 and name HG1%) (( segid "T22D" and resid 55 and name HZ )) ASSI { 427} ( segid "T22D" and resid 107 and name HG1%) (( segid "T22D" and resid 107 and name HB )) 2.000 0.500 0.500 peak 427 spectrum 1 weight 0.10000E+01 volume 0.15756E-01 ppm1 1.038 ppm2 2.008 CV 1 OR { 427} ( segid "T22D" and resid 107 and name HG2%) (( segid "T22D" and resid 107 and name HB )) ASSI { 428} ( segid "T22D" and resid 107 and name HG2%) (( segid "T22D" and resid 39 and name HA )) 2.900 1.000 1.000 peak 428 spectrum 1 weight 0.10000E+01 volume 0.26107E-02 ppm1 1.037 ppm2 4.376 CV 1 ASSI { 429} ( segid "T22D" and resid 107 and name HG2%) ( segid "T22D" and resid 54 and name HE% ) 2.700 2.700 3.300 peak 429 spectrum 1 weight 0.10000E+01 volume 0.11791E-02 ppm1 1.033 ppm2 6.456 CV 1 OR { 429} ( segid "T22D" and resid 107 and name HG1%) ( segid "T22D" and resid 54 and name HE% ) ASSI { 431} ( segid "T22D" and resid 107 and name HG1%) ( segid "T22D" and resid 92 and name HB% ) 2.900 1.100 1.100 peak 431 spectrum 1 weight 0.10000E+01 volume 0.16124E-02 ppm1 1.042 ppm2 1.433 CV 1 ASSI { 433} ( segid "T22D" and resid 46 and name HG2%) (( segid "T22D" and resid 46 and name HA )) 2.200 0.600 0.600 peak 433 spectrum 1 weight 0.10000E+01 volume 0.11235E-01 ppm1 1.143 ppm2 4.022 CV 1 ASSI { 434} ( segid "T22D" and resid 50 and name HG2%) (( segid "T22D" and resid 46 and name HA )) 3.000 1.100 1.100 peak 434 spectrum 1 weight 0.10000E+01 volume 0.33861E-02 ppm1 1.266 ppm2 4.017 CV 1 ASSI { 435} ( segid "T22D" and resid 42 and name HD2%) (( segid "T22D" and resid 43 and name HD1 )) 3.400 1.400 1.400 peak 435 spectrum 1 weight 0.10000E+01 volume 0.33257E-02 ppm1 0.661 ppm2 3.787 CV 1 ASSI { 438} ( segid "T22D" and resid 46 and name HG2%) (( segid "T22D" and resid 50 and name HB )) 2.300 0.700 0.700 peak 438 spectrum 1 weight 0.10000E+01 volume 0.56301E-02 ppm1 1.141 ppm2 4.488 CV 1 ASSI { 440} ( segid "T22D" and resid 46 and name HG2%) (( segid "T22D" and resid 101 and name HB1 )) 3.600 1.600 1.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.13030E-02 ppm1 1.140 ppm2 2.236 CV 1 ASSI { 441} ( segid "T22D" and resid 107 and name HG2%) (( segid "T22D" and resid 98 and name HB1 )) 3.800 1.800 1.800 peak 441 spectrum 1 weight 0.10000E+01 volume 0.14708E-02 ppm1 1.029 ppm2 2.118 CV 1 ASSI { 442} ( segid "T22D" and resid 46 and name HG2%) (( segid "T22D" and resid 46 and name HB )) 2.100 0.500 0.500 peak 442 spectrum 1 weight 0.10000E+01 volume 0.11720E-01 ppm1 1.142 ppm2 3.737 CV 1 ASSI { 444} ( segid "T22D" and resid 42 and name HD2%) (( segid "T22D" and resid 42 and name HA )) 2.200 0.600 0.600 peak 444 spectrum 1 weight 0.10000E+01 volume 0.54562E-02 ppm1 0.668 ppm2 4.316 CV 1 ASSI { 445} ( segid "T22D" and resid 107 and name HG2%) (( segid "T22D" and resid 97 and name HA )) 2.600 2.600 3.400 peak 445 spectrum 1 weight 0.10000E+01 volume 0.14304E-02 ppm1 1.024 ppm2 6.046 CV 1 ASSI { 446} ( segid "T22D" and resid 109 and name HD2%) ( segid "T22D" and resid 111 and name HE% ) 3.900 1.900 1.900 peak 446 spectrum 1 weight 0.10000E+01 volume 0.22575E-02 ppm1 0.887 ppm2 6.726 CV 1 ASSI { 447} ( segid "T22D" and resid 107 and name HG2%) (( segid "T22D" and resid 96 and name HB1 )) 4.100 2.100 1.900 peak 447 spectrum 1 weight 0.10000E+01 volume 0.67264E-03 ppm1 1.043 ppm2 2.508 CV 1 ASSI { 448} ( segid "T22D" and resid 107 and name HG2%) (( segid "T22D" and resid 98 and name HD1 )) 2.800 0.900 0.900 peak 448 spectrum 1 weight 0.10000E+01 volume 0.34019E-02 ppm1 1.023 ppm2 3.590 CV 1 ASSI { 449} ( segid "T22D" and resid 107 and name HG2%) (( segid "T22D" and resid 106 and name HA )) 3.500 1.600 1.600 peak 449 spectrum 1 weight 0.10000E+01 volume 0.13983E-02 ppm1 1.022 ppm2 5.431 CV 1 ASSI { 450} ( segid "T22D" and resid 107 and name HG2%) (( segid "T22D" and resid 98 and name HB2 )) 2.200 2.200 3.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.41238E-02 ppm1 1.029 ppm2 1.565 CV 1 ASSI { 451} ( segid "T22D" and resid 107 and name HG2%) (( segid "T22D" and resid 98 and name HD2 )) 2.800 1.000 1.000 peak 451 spectrum 1 weight 0.10000E+01 volume 0.34436E-02 ppm1 1.028 ppm2 3.174 CV 1 ASSI { 452} ( segid "T22D" and resid 109 and name HD2%) (( segid "T22D" and resid 108 and name HA )) 3.000 3.000 3.000 peak 452 spectrum 1 weight 0.10000E+01 volume 0.57118E-02 ppm1 0.884 ppm2 4.962 CV 1 ASSI { 453} ( segid "T22D" and resid 42 and name HD2%) (( segid "T22D" and resid 43 and name HD2 )) 3.000 1.100 1.100 peak 453 spectrum 1 weight 0.10000E+01 volume 0.19922E-02 ppm1 0.668 ppm2 3.893 CV 1 ASSI { 454} ( segid "T22D" and resid 109 and name HD2%) (( segid "T22D" and resid 109 and name HB1 )) 2.300 0.700 0.700 peak 454 spectrum 1 weight 0.10000E+01 volume 0.55934E-02 ppm1 0.888 ppm2 1.801 CV 1 ASSI { 455} ( segid "T22D" and resid 46 and name HG2%) (( segid "T22D" and resid 101 and name HB2 )) 3.300 1.300 1.300 peak 455 spectrum 1 weight 0.10000E+01 volume 0.13499E-02 ppm1 1.150 ppm2 3.008 CV 1 ASSI { 456} ( segid "T22D" and resid 109 and name HD2%) (( segid "T22D" and resid 109 and name HB2 )) 2.900 1.100 1.100 peak 456 spectrum 1 weight 0.10000E+01 volume 0.50246E-02 ppm1 0.889 ppm2 1.888 CV 1 ASSI { 459} ( segid "T22D" and resid 109 and name HD2%) (( segid "T22D" and resid 34 and name HB1 )) 3.500 1.600 1.600 peak 459 spectrum 1 weight 0.10000E+01 volume 0.66422E-03 ppm1 0.883 ppm2 2.736 CV 1 ASSI { 461} ( segid "T22D" and resid 109 and name HD2%) (( segid "T22D" and resid 34 and name HB2 )) 2.900 2.900 3.100 peak 461 spectrum 1 weight 0.10000E+01 volume 0.75650E-03 ppm1 0.882 ppm2 3.527 CV 1 ASSI { 462} ( segid "T22D" and resid 109 and name HD2%) (( segid "T22D" and resid 109 and name HA )) 2.000 0.500 0.500 peak 462 spectrum 1 weight 0.10000E+01 volume 0.10521E-01 ppm1 0.890 ppm2 4.476 CV 1 ASSI { 463} ( segid "T22D" and resid 46 and name HG2%) (( segid "T22D" and resid 43 and name HD2 )) 3.300 1.300 1.300 peak 463 spectrum 1 weight 0.10000E+01 volume 0.15601E-02 ppm1 1.156 ppm2 3.911 CV 1 ASSI { 464} ( segid "T22D" and resid 109 and name HD2%) ( segid "T22D" and resid 89 and name HB% ) 2.300 0.700 0.700 peak 464 spectrum 1 weight 0.10000E+01 volume 0.65984E-02 ppm1 0.886 ppm2 1.589 CV 1 ASSI { 465} ( segid "T22D" and resid 109 and name HD2%) ( segid "T22D" and resid 109 and name HD1%) 2.000 0.500 0.500 peak 465 spectrum 1 weight 0.10000E+01 volume 0.15650E-01 ppm1 0.889 ppm2 1.341 CV 1 ASSI { 466} ( segid "T22D" and resid 46 and name HG2%) (( segid "T22D" and resid 42 and name HA )) 3.400 1.400 1.400 peak 466 spectrum 1 weight 0.10000E+01 volume 0.32610E-02 ppm1 1.169 ppm2 4.322 CV 1 ASSI { 467} ( segid "T22D" and resid 109 and name HD2%) (( segid "T22D" and resid 37 and name HA )) 3.100 1.200 1.200 peak 467 spectrum 1 weight 0.10000E+01 volume 0.31126E-02 ppm1 0.894 ppm2 4.203 CV 1 ASSI { 468} ( segid "T22D" and resid 109 and name HD2%) (( segid "T22D" and resid 109 and name HG )) 2.100 0.500 0.500 peak 468 spectrum 1 weight 0.10000E+01 volume 0.10453E-01 ppm1 0.892 ppm2 2.084 CV 1 ASSI { 469} ( segid "T22D" and resid 109 and name HD2%) ( segid "T22D" and resid 34 and name HD% ) 3.500 1.500 1.500 peak 469 spectrum 1 weight 0.10000E+01 volume 0.10608E-02 ppm1 0.881 ppm2 7.223 CV 1 ASSI { 470} ( segid "T22D" and resid 109 and name HD2%) (( segid "T22D" and resid 37 and name HG11)) 3.200 1.300 1.300 peak 470 spectrum 1 weight 0.10000E+01 volume 0.38615E-02 ppm1 0.891 ppm2 1.734 CV 1 ASSI { 472} ( segid "T22D" and resid 109 and name HD2%) ( segid "T22D" and resid 111 and name HD% ) 4.000 2.000 2.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.15949E-02 ppm1 0.891 ppm2 7.099 CV 1 ASSI { 478} (( segid "T22D" and resid 49 and name HG1 )) (( segid "T22D" and resid 49 and name HB2 )) 2.900 1.000 1.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.16151E-02 ppm1 1.342 ppm2 1.913 CV 1 ASSI { 479} (( segid "T22D" and resid 94 and name HG1 )) (( segid "T22D" and resid 94 and name HB2 )) 2.300 0.700 0.700 peak 479 spectrum 1 weight 0.10000E+01 volume 0.77531E-02 ppm1 1.550 ppm2 1.899 CV 1 OR { 479} (( segid "T22D" and resid 94 and name HG2 )) (( segid "T22D" and resid 94 and name HB2 )) ASSI { 480} (( segid "T22D" and resid 94 and name HG2 )) (( segid "T22D" and resid 94 and name HB1 )) 2.300 0.600 0.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.80604E-02 ppm1 1.545 ppm2 1.812 CV 1 OR { 480} (( segid "T22D" and resid 94 and name HG1 )) (( segid "T22D" and resid 94 and name HB1 )) ASSI { 481} (( segid "T22D" and resid 94 and name HG1 )) (( segid "T22D" and resid 94 and name HE1 )) 2.600 0.800 0.800 peak 481 spectrum 1 weight 0.10000E+01 volume 0.59691E-02 ppm1 1.539 ppm2 3.002 CV 1 OR { 481} (( segid "T22D" and resid 94 and name HG1 )) (( segid "T22D" and resid 94 and name HE2 )) OR { 481} (( segid "T22D" and resid 94 and name HG2 )) (( segid "T22D" and resid 94 and name HE2 )) OR { 481} (( segid "T22D" and resid 94 and name HG2 )) (( segid "T22D" and resid 94 and name HE1 )) ASSI { 482} (( segid "T22D" and resid 49 and name HG1 )) (( segid "T22D" and resid 52 and name HB2 )) 3.800 1.800 1.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.95350E-03 ppm1 1.354 ppm2 3.598 CV 1 OR { 482} (( segid "T22D" and resid 49 and name HG1 )) (( segid "T22D" and resid 52 and name HB1 )) ASSI { 483} (( segid "T22D" and resid 94 and name HG2 )) (( segid "T22D" and resid 94 and name HA )) 2.500 0.800 0.800 peak 483 spectrum 1 weight 0.10000E+01 volume 0.76493E-02 ppm1 1.564 ppm2 3.880 CV 1 OR { 483} (( segid "T22D" and resid 94 and name HG1 )) (( segid "T22D" and resid 94 and name HA )) ASSI { 484} (( segid "T22D" and resid 49 and name HG1 )) (( segid "T22D" and resid 49 and name HA )) 2.400 0.700 0.700 peak 484 spectrum 1 weight 0.10000E+01 volume 0.60842E-02 ppm1 1.340 ppm2 4.147 CV 1 ASSI { 485} (( segid "T22D" and resid 104 and name HG1 )) (( segid "T22D" and resid 97 and name HA )) 3.000 1.100 1.100 peak 485 spectrum 1 weight 0.10000E+01 volume 0.10519E-02 ppm1 1.340 ppm2 6.044 CV 1 ASSI { 486} (( segid "T22D" and resid 49 and name HG2 )) (( segid "T22D" and resid 49 and name HA )) 2.600 0.900 0.900 peak 486 spectrum 1 weight 0.10000E+01 volume 0.46155E-02 ppm1 1.455 ppm2 4.154 CV 1 ASSI { 487} (( segid "T22D" and resid 104 and name HG2 )) (( segid "T22D" and resid 104 and name HE1 )) 3.100 1.200 1.200 peak 487 spectrum 1 weight 0.10000E+01 volume 0.25536E-02 ppm1 1.323 ppm2 2.874 CV 1 OR { 487} (( segid "T22D" and resid 104 and name HG2 )) (( segid "T22D" and resid 104 and name HE2 )) OR { 487} (( segid "T22D" and resid 104 and name HG1 )) (( segid "T22D" and resid 104 and name HE2 )) OR { 487} (( segid "T22D" and resid 104 and name HG1 )) (( segid "T22D" and resid 104 and name HE1 )) ASSI { 488} (( segid "T22D" and resid 104 and name HG2 )) ( segid "T22D" and resid 99 and name HD1%) 2.800 1.000 1.000 peak 488 spectrum 1 weight 0.10000E+01 volume 0.34170E-02 ppm1 1.335 ppm2 0.705 CV 1 OR { 488} (( segid "T22D" and resid 104 and name HG1 )) ( segid "T22D" and resid 99 and name HD1%) ASSI { 489} (( segid "T22D" and resid 94 and name HG1 )) (( segid "T22D" and resid 91 and name HA )) 3.300 1.400 1.400 peak 489 spectrum 1 weight 0.10000E+01 volume 0.29781E-02 ppm1 1.560 ppm2 3.977 CV 1 OR { 489} (( segid "T22D" and resid 94 and name HG2 )) (( segid "T22D" and resid 91 and name HA )) ASSI { 490} (( segid "T22D" and resid 115 and name HG1 )) (( segid "T22D" and resid 115 and name HE2 )) 2.600 0.800 0.800 peak 490 spectrum 1 weight 0.10000E+01 volume 0.61101E-02 ppm1 1.459 ppm2 2.988 CV 1 OR { 490} (( segid "T22D" and resid 115 and name HG2 )) (( segid "T22D" and resid 115 and name HE2 )) OR { 490} (( segid "T22D" and resid 115 and name HG1 )) (( segid "T22D" and resid 115 and name HE1 )) OR { 490} (( segid "T22D" and resid 115 and name HG2 )) (( segid "T22D" and resid 115 and name HE1 )) ASSI { 491} (( segid "T22D" and resid 104 and name HG2 )) (( segid "T22D" and resid 97 and name HB1 )) 2.900 1.000 1.000 peak 491 spectrum 1 weight 0.10000E+01 volume 0.22624E-02 ppm1 1.322 ppm2 2.427 CV 1 OR { 491} (( segid "T22D" and resid 104 and name HG1 )) (( segid "T22D" and resid 97 and name HB1 )) ASSI { 492} (( segid "T22D" and resid 104 and name HG2 )) (( segid "T22D" and resid 97 and name HB2 )) 3.500 1.500 1.500 peak 492 spectrum 1 weight 0.10000E+01 volume 0.36342E-02 ppm1 1.329 ppm2 2.807 CV 1 OR { 492} (( segid "T22D" and resid 104 and name HG1 )) (( segid "T22D" and resid 97 and name HB2 )) ASSI { 493} (( segid "T22D" and resid 49 and name HG2 )) (( segid "T22D" and resid 52 and name HB2 )) 3.500 1.500 1.500 peak 493 spectrum 1 weight 0.10000E+01 volume 0.14066E-02 ppm1 1.463 ppm2 3.608 CV 1 OR { 493} (( segid "T22D" and resid 49 and name HG2 )) (( segid "T22D" and resid 52 and name HB1 )) ASSI { 496} (( segid "T22D" and resid 115 and name HG2 )) (( segid "T22D" and resid 115 and name HA )) 2.600 0.900 0.900 peak 496 spectrum 1 weight 0.10000E+01 volume 0.38155E-02 ppm1 1.433 ppm2 4.544 CV 1 OR { 496} (( segid "T22D" and resid 115 and name HG1 )) (( segid "T22D" and resid 115 and name HA )) ASSI { 497} ( segid "T22D" and resid 51 and name HD2%) (( segid "T22D" and resid 55 and name HZ )) 3.900 1.900 1.900 peak 497 spectrum 1 weight 0.10000E+01 volume 0.89057E-03 ppm1 0.931 ppm2 7.185 CV 1 ASSI { 499} ( segid "T22D" and resid 51 and name HD2%) ( segid "T22D" and resid 55 and name HE% ) 2.500 0.800 0.800 peak 499 spectrum 1 weight 0.10000E+01 volume 0.31302E-02 ppm1 0.933 ppm2 7.300 CV 1 ASSI { 501} ( segid "T22D" and resid 51 and name HD2%) ( segid "T22D" and resid 81 and name HG2%) 2.600 0.800 0.800 peak 501 spectrum 1 weight 0.10000E+01 volume 0.60809E-02 ppm1 0.930 ppm2 0.266 CV 1 ASSI { 502} ( segid "T22D" and resid 51 and name HD2%) ( segid "T22D" and resid 39 and name HG2%) 2.400 0.700 0.700 peak 502 spectrum 1 weight 0.10000E+01 volume 0.73002E-02 ppm1 0.923 ppm2 0.592 CV 1 ASSI { 503} ( segid "T22D" and resid 51 and name HD2%) ( segid "T22D" and resid 100 and name HD1%) 2.700 0.900 0.900 peak 503 spectrum 1 weight 0.10000E+01 volume 0.30695E-02 ppm1 0.922 ppm2 0.231 CV 1 ASSI { 504} ( segid "T22D" and resid 51 and name HD2%) ( segid "T22D" and resid 100 and name HG2%) 2.300 0.700 0.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.76092E-02 ppm1 0.931 ppm2 0.445 CV 1 ASSI { 505} ( segid "T22D" and resid 51 and name HD2%) ( segid "T22D" and resid 55 and name HD% ) 3.100 1.200 1.200 peak 505 spectrum 1 weight 0.10000E+01 volume 0.25195E-02 ppm1 0.935 ppm2 7.779 CV 1 ASSI { 507} ( segid "T22D" and resid 51 and name HD2%) (( segid "T22D" and resid 51 and name HA )) 2.100 0.500 0.500 peak 507 spectrum 1 weight 0.10000E+01 volume 0.84362E-02 ppm1 0.930 ppm2 4.134 CV 1 ASSI { 508} ( segid "T22D" and resid 51 and name HD2%) ( segid "T22D" and resid 39 and name HG1%) 2.300 0.700 0.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.82969E-02 ppm1 0.924 ppm2 0.679 CV 1 ASSI { 509} ( segid "T22D" and resid 51 and name HD2%) ( segid "T22D" and resid 51 and name HD1%) 2.100 0.600 0.600 peak 509 spectrum 1 weight 0.10000E+01 volume 0.12186E-01 ppm1 0.930 ppm2 0.536 CV 1 ASSI { 511} ( segid "T22D" and resid 51 and name HD2%) (( segid "T22D" and resid 51 and name HG )) 2.300 0.600 0.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.52122E-02 ppm1 0.931 ppm2 1.456 CV 1 ASSI { 512} ( segid "T22D" and resid 51 and name HD2%) (( segid "T22D" and resid 51 and name HB1 )) 2.400 0.700 0.700 peak 512 spectrum 1 weight 0.10000E+01 volume 0.43044E-02 ppm1 0.936 ppm2 1.926 CV 1 ASSI { 514} (( segid "T22D" and resid 74 and name HG2 )) (( segid "T22D" and resid 74 and name HE1 )) 3.000 1.100 1.100 peak 514 spectrum 1 weight 0.10000E+01 volume 0.22918E-02 ppm1 1.383 ppm2 2.730 CV 1 OR { 514} (( segid "T22D" and resid 74 and name HG1 )) (( segid "T22D" and resid 74 and name HE1 )) ASSI { 515} (( segid "T22D" and resid 74 and name HG2 )) (( segid "T22D" and resid 74 and name HE2 )) 2.800 1.000 1.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.29666E-02 ppm1 1.378 ppm2 2.832 CV 1 OR { 515} (( segid "T22D" and resid 74 and name HG1 )) (( segid "T22D" and resid 74 and name HE2 )) ASSI { 516} (( segid "T22D" and resid 36 and name HG2 )) (( segid "T22D" and resid 82 and name HA )) 4.300 2.300 1.700 peak 516 spectrum 1 weight 0.10000E+01 volume 0.77406E-03 ppm1 1.365 ppm2 5.243 CV 1 ASSI { 517} (( segid "T22D" and resid 36 and name HG1 )) (( segid "T22D" and resid 82 and name HA )) 4.100 2.100 1.900 peak 517 spectrum 1 weight 0.10000E+01 volume 0.62877E-03 ppm1 0.936 ppm2 5.253 CV 1 ASSI { 518} (( segid "T22D" and resid 36 and name HG1 )) (( segid "T22D" and resid 36 and name HE2 )) 3.400 1.400 1.400 peak 518 spectrum 1 weight 0.10000E+01 volume 0.98206E-03 ppm1 0.949 ppm2 2.249 CV 1 ASSI { 519} (( segid "T22D" and resid 100 and name HG12)) ( segid "T22D" and resid 42 and name HD2%) 4.700 2.800 1.300 peak 519 spectrum 1 weight 0.10000E+01 volume 0.46243E-03 ppm1 -0.519 ppm2 0.660 CV 1 ASSI { 520} (( segid "T22D" and resid 100 and name HG11)) ( segid "T22D" and resid 54 and name HE% ) 4.100 2.100 1.900 peak 520 spectrum 1 weight 0.10000E+01 volume 0.53549E-03 ppm1 0.777 ppm2 6.446 CV 1 ASSI { 522} (( segid "T22D" and resid 100 and name HG11)) (( segid "T22D" and resid 100 and name HG12)) 2.300 0.700 0.700 peak 522 spectrum 1 weight 0.10000E+01 volume 0.22380E-02 ppm1 0.785 ppm2 -0.512 CV 1 ASSI { 524} (( segid "T22D" and resid 100 and name HG11)) ( segid "T22D" and resid 100 and name HG2%) 3.700 1.700 1.700 peak 524 spectrum 1 weight 0.10000E+01 volume 0.17849E-02 ppm1 0.796 ppm2 0.446 CV 1 ASSI { 525} (( segid "T22D" and resid 100 and name HG11)) (( segid "T22D" and resid 98 and name HB2 )) 3.000 1.100 1.100 peak 525 spectrum 1 weight 0.10000E+01 volume 0.82176E-03 ppm1 0.787 ppm2 1.578 CV 1 ASSI { 526} (( segid "T22D" and resid 100 and name HG11)) (( segid "T22D" and resid 98 and name HG2 )) 3.700 1.700 1.700 peak 526 spectrum 1 weight 0.10000E+01 volume 0.44203E-03 ppm1 0.787 ppm2 2.007 CV 1 OR { 526} (( segid "T22D" and resid 100 and name HG11)) (( segid "T22D" and resid 98 and name HG1 )) ASSI { 527} (( segid "T22D" and resid 100 and name HG11)) (( segid "T22D" and resid 100 and name HB )) 2.600 0.900 0.900 peak 527 spectrum 1 weight 0.10000E+01 volume 0.25202E-02 ppm1 0.786 ppm2 1.309 CV 1 ASSI { 528} (( segid "T22D" and resid 100 and name HG12)) (( segid "T22D" and resid 100 and name HA )) 2.800 1.000 1.000 peak 528 spectrum 1 weight 0.10000E+01 volume 0.18220E-02 ppm1 -0.495 ppm2 3.771 CV 1 ASSI { 529} (( segid "T22D" and resid 100 and name HG12)) (( segid "T22D" and resid 100 and name HB )) 3.300 1.400 1.400 peak 529 spectrum 1 weight 0.10000E+01 volume 0.16522E-02 ppm1 -0.503 ppm2 1.313 CV 1 ASSI { 533} (( segid "T22D" and resid 100 and name HG11)) (( segid "T22D" and resid 100 and name HA )) 3.100 1.200 1.200 peak 533 spectrum 1 weight 0.10000E+01 volume 0.18059E-02 ppm1 0.784 ppm2 3.769 CV 1 ASSI { 537} (( segid "T22D" and resid 100 and name HG12)) (( segid "T22D" and resid 98 and name HB2 )) 3.500 1.600 1.600 peak 537 spectrum 1 weight 0.10000E+01 volume 0.75116E-03 ppm1 -0.493 ppm2 1.578 CV 1 ASSI { 538} (( segid "T22D" and resid 100 and name HG12)) ( segid "T22D" and resid 54 and name HE% ) 3.600 1.600 1.600 peak 538 spectrum 1 weight 0.10000E+01 volume 0.58728E-03 ppm1 -0.524 ppm2 6.456 CV 1 ASSI { 540} ( segid "T22D" and resid 112 and name HD1%) (( segid "T22D" and resid 109 and name HB1 )) 3.700 1.700 1.700 peak 540 spectrum 1 weight 0.10000E+01 volume 0.29261E-02 ppm1 0.956 ppm2 1.799 CV 1 ASSI { 541} ( segid "T22D" and resid 112 and name HD1%) (( segid "T22D" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.39544E-02 ppm1 0.960 ppm2 2.784 CV 1 ASSI { 542} ( segid "T22D" and resid 42 and name HD1%) ( segid "T22D" and resid 42 and name HD2%) 2.200 0.600 0.600 peak 542 spectrum 1 weight 0.10000E+01 volume 0.76705E-02 ppm1 0.446 ppm2 0.671 CV 1 ASSI { 543} ( segid "T22D" and resid 42 and name HD1%) (( segid "T22D" and resid 42 and name HB2 )) 2.300 0.700 0.700 peak 543 spectrum 1 weight 0.10000E+01 volume 0.56997E-02 ppm1 0.446 ppm2 0.936 CV 1 ASSI { 544} ( segid "T22D" and resid 42 and name HD1%) (( segid "T22D" and resid 78 and name HA )) 2.700 0.900 0.900 peak 544 spectrum 1 weight 0.10000E+01 volume 0.20718E-02 ppm1 0.450 ppm2 4.992 CV 1 ASSI { 545} ( segid "T22D" and resid 42 and name HD1%) (( segid "T22D" and resid 51 and name HA )) 5.100 3.200 0.900 peak 545 spectrum 1 weight 0.10000E+01 volume 0.82423E-03 ppm1 0.440 ppm2 4.141 CV 1 ASSI { 546} ( segid "T22D" and resid 42 and name HD1%) (( segid "T22D" and resid 39 and name HB )) 2.700 0.900 0.900 peak 546 spectrum 1 weight 0.10000E+01 volume 0.15709E-02 ppm1 0.434 ppm2 1.446 CV 1 ASSI { 549} ( segid "T22D" and resid 112 and name HD1%) ( segid "T22D" and resid 109 and name HD1%) 2.600 0.800 0.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.89262E-02 ppm1 0.956 ppm2 1.369 CV 1 ASSI { 550} ( segid "T22D" and resid 51 and name HD1%) ( segid "T22D" and resid 55 and name HD% ) 4.300 2.300 1.700 peak 550 spectrum 1 weight 0.10000E+01 volume 0.66818E-03 ppm1 0.533 ppm2 7.780 CV 1 ASSI { 551} ( segid "T22D" and resid 51 and name HD1%) ( segid "T22D" and resid 55 and name HE% ) 4.500 2.600 1.500 peak 551 spectrum 1 weight 0.10000E+01 volume 0.47393E-03 ppm1 0.551 ppm2 7.316 CV 1 ASSI { 552} ( segid "T22D" and resid 112 and name HD1%) (( segid "T22D" and resid 109 and name HG )) 3.000 1.100 1.100 peak 552 spectrum 1 weight 0.10000E+01 volume 0.33444E-02 ppm1 0.950 ppm2 2.081 CV 1 ASSI { 553} ( segid "T22D" and resid 112 and name HD1%) (( segid "T22D" and resid 112 and name HG )) 2.000 0.500 0.500 peak 553 spectrum 1 weight 0.10000E+01 volume 0.14161E-01 ppm1 0.951 ppm2 0.777 CV 1 ASSI { 555} ( segid "T22D" and resid 42 and name HD1%) (( segid "T22D" and resid 42 and name HG )) 2.300 0.700 0.700 peak 555 spectrum 1 weight 0.10000E+01 volume 0.46818E-02 ppm1 0.449 ppm2 1.259 CV 1 ASSI { 556} ( segid "T22D" and resid 112 and name HD1%) (( segid "T22D" and resid 108 and name HB1 )) 4.000 2.000 2.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.22243E-02 ppm1 0.960 ppm2 3.001 CV 1 ASSI { 557} ( segid "T22D" and resid 42 and name HD1%) (( segid "T22D" and resid 46 and name HB )) 2.800 1.000 1.000 peak 557 spectrum 1 weight 0.10000E+01 volume 0.32834E-02 ppm1 0.459 ppm2 3.744 CV 1 ASSI { 558} ( segid "T22D" and resid 112 and name HD1%) (( segid "T22D" and resid 112 and name HB1 )) 2.300 0.700 0.700 peak 558 spectrum 1 weight 0.10000E+01 volume 0.95033E-02 ppm1 0.958 ppm2 1.500 CV 1 ASSI { 559} ( segid "T22D" and resid 42 and name HD1%) (( segid "T22D" and resid 42 and name HA )) 3.800 1.800 1.800 peak 559 spectrum 1 weight 0.10000E+01 volume 0.17184E-02 ppm1 0.442 ppm2 4.314 CV 1 ASSI { 560} ( segid "T22D" and resid 112 and name HD1%) ( segid "T22D" and resid 111 and name HE% ) 3.500 1.500 1.500 peak 560 spectrum 1 weight 0.10000E+01 volume 0.18876E-02 ppm1 0.959 ppm2 6.723 CV 1 ASSI { 561} ( segid "T22D" and resid 112 and name HD1%) (( segid "T22D" and resid 109 and name HB2 )) 2.500 0.800 0.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.36572E-02 ppm1 0.954 ppm2 1.891 CV 1 ASSI { 562} ( segid "T22D" and resid 112 and name HD1%) ( segid "T22D" and resid 112 and name HD2%) 2.100 0.500 0.500 peak 562 spectrum 1 weight 0.10000E+01 volume 0.17085E-01 ppm1 0.956 ppm2 0.632 CV 1 ASSI { 563} (( segid "T22D" and resid 84 and name HG2 )) (( segid "T22D" and resid 60 and name HB1 )) 3.700 1.700 1.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.23120E-02 ppm1 1.382 ppm2 2.533 CV 1 OR { 563} (( segid "T22D" and resid 84 and name HG1 )) (( segid "T22D" and resid 60 and name HB1 )) ASSI { 565} (( segid "T22D" and resid 84 and name HG2 )) (( segid "T22D" and resid 60 and name HB2 )) 3.600 1.600 1.600 peak 565 spectrum 1 weight 0.10000E+01 volume 0.21883E-02 ppm1 1.381 ppm2 2.600 CV 1 OR { 565} (( segid "T22D" and resid 84 and name HG1 )) (( segid "T22D" and resid 60 and name HB2 )) ASSI { 566} (( segid "T22D" and resid 84 and name HG1 )) (( segid "T22D" and resid 84 and name HE2 )) 2.600 0.800 0.800 peak 566 spectrum 1 weight 0.10000E+01 volume 0.44579E-02 ppm1 1.364 ppm2 2.966 CV 1 OR { 566} (( segid "T22D" and resid 84 and name HG2 )) (( segid "T22D" and resid 84 and name HE2 )) ASSI { 567} (( segid "T22D" and resid 84 and name HG1 )) (( segid "T22D" and resid 84 and name HE2 )) 2.800 1.000 1.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.35432E-02 ppm1 1.374 ppm2 2.920 CV 1 OR { 567} (( segid "T22D" and resid 84 and name HG1 )) (( segid "T22D" and resid 84 and name HE1 )) OR { 567} (( segid "T22D" and resid 84 and name HG2 )) (( segid "T22D" and resid 84 and name HE2 )) OR { 567} (( segid "T22D" and resid 84 and name HG2 )) (( segid "T22D" and resid 84 and name HE1 )) ASSI { 568} (( segid "T22D" and resid 73 and name HB2 )) (( segid "T22D" and resid 68 and name HB )) 3.700 1.700 1.700 peak 568 spectrum 1 weight 0.10000E+01 volume 0.10003E-02 ppm1 2.362 ppm2 3.672 CV 1 OR { 568} (( segid "T22D" and resid 73 and name HB1 )) (( segid "T22D" and resid 68 and name HB )) ASSI { 569} (( segid "T22D" and resid 84 and name HG1 )) (( segid "T22D" and resid 84 and name HA )) 2.300 0.700 0.700 peak 569 spectrum 1 weight 0.10000E+01 volume 0.81013E-02 ppm1 1.368 ppm2 4.097 CV 1 OR { 569} (( segid "T22D" and resid 84 and name HG2 )) (( segid "T22D" and resid 84 and name HA )) ASSI { 570} (( segid "T22D" and resid 84 and name HG2 )) (( segid "T22D" and resid 84 and name HD1 )) 2.000 0.500 0.500 peak 570 spectrum 1 weight 0.10000E+01 volume 0.17188E-01 ppm1 1.376 ppm2 1.710 CV 1 OR { 570} (( segid "T22D" and resid 84 and name HG2 )) (( segid "T22D" and resid 84 and name HD2 )) OR { 570} (( segid "T22D" and resid 84 and name HG1 )) (( segid "T22D" and resid 84 and name HD1 )) OR { 570} (( segid "T22D" and resid 84 and name HG1 )) (( segid "T22D" and resid 84 and name HD2 )) ASSI { 571} (( segid "T22D" and resid 73 and name HB1 )) (( segid "T22D" and resid 73 and name HG1 )) 2.000 0.500 0.500 peak 571 spectrum 1 weight 0.10000E+01 volume 0.25141E-01 ppm1 2.384 ppm2 2.289 CV 1 OR { 571} (( segid "T22D" and resid 73 and name HB2 )) (( segid "T22D" and resid 73 and name HG2 )) OR { 571} (( segid "T22D" and resid 73 and name HB2 )) (( segid "T22D" and resid 73 and name HG1 )) OR { 571} (( segid "T22D" and resid 73 and name HB1 )) (( segid "T22D" and resid 73 and name HG2 )) ASSI { 572} ( segid "T22D" and resid 112 and name HD1%) ( segid "T22D" and resid 111 and name HD% ) 4.500 2.500 1.500 peak 572 spectrum 1 weight 0.10000E+01 volume 0.10071E-02 ppm1 0.949 ppm2 7.099 CV 1 ASSI { 573} (( segid "T22D" and resid 73 and name HB2 )) (( segid "T22D" and resid 73 and name HA )) 2.200 0.600 0.600 peak 573 spectrum 1 weight 0.10000E+01 volume 0.98440E-02 ppm1 2.377 ppm2 3.975 CV 1 OR { 573} (( segid "T22D" and resid 73 and name HB1 )) (( segid "T22D" and resid 73 and name HA )) ASSI { 574} ( segid "T22D" and resid 51 and name HD1%) (( segid "T22D" and resid 51 and name HA )) 3.700 1.700 1.700 peak 574 spectrum 1 weight 0.10000E+01 volume 0.25680E-02 ppm1 0.542 ppm2 4.137 CV 1 ASSI { 575} (( segid "T22D" and resid 73 and name HB1 )) (( segid "T22D" and resid 72 and name HA )) 3.600 1.600 1.600 peak 575 spectrum 1 weight 0.10000E+01 volume 0.92539E-03 ppm1 2.368 ppm2 4.367 CV 1 OR { 575} (( segid "T22D" and resid 73 and name HB2 )) (( segid "T22D" and resid 72 and name HA )) ASSI { 576} ( segid "T22D" and resid 112 and name HD1%) (( segid "T22D" and resid 112 and name HA )) 3.600 1.600 1.600 peak 576 spectrum 1 weight 0.10000E+01 volume 0.39615E-02 ppm1 0.957 ppm2 3.668 CV 1 ASSI { 577} ( segid "T22D" and resid 51 and name HD1%) (( segid "T22D" and resid 48 and name HA )) 3.100 1.200 1.200 peak 577 spectrum 1 weight 0.10000E+01 volume 0.20047E-02 ppm1 0.543 ppm2 4.055 CV 1 ASSI { 578} ( segid "T22D" and resid 51 and name HD1%) (( segid "T22D" and resid 51 and name HG )) 2.300 0.600 0.600 peak 578 spectrum 1 weight 0.10000E+01 volume 0.61230E-02 ppm1 0.543 ppm2 1.462 CV 1 ASSI { 579} ( segid "T22D" and resid 51 and name HD1%) (( segid "T22D" and resid 51 and name HB2 )) 2.300 0.600 0.600 peak 579 spectrum 1 weight 0.10000E+01 volume 0.71918E-02 ppm1 0.541 ppm2 1.324 CV 1 ASSI { 581} ( segid "T22D" and resid 51 and name HD1%) (( segid "T22D" and resid 51 and name HB1 )) 2.500 0.800 0.800 peak 581 spectrum 1 weight 0.10000E+01 volume 0.48077E-02 ppm1 0.543 ppm2 1.930 CV 1 ASSI { 582} ( segid "T22D" and resid 51 and name HD1%) ( segid "T22D" and resid 81 and name HG2%) 2.400 0.700 0.700 peak 582 spectrum 1 weight 0.10000E+01 volume 0.74324E-02 ppm1 0.543 ppm2 0.268 CV 1 ASSI { 584} ( segid "T22D" and resid 51 and name HD1%) (( segid "T22D" and resid 64 and name HA )) 3.300 1.400 1.400 peak 584 spectrum 1 weight 0.10000E+01 volume 0.16525E-02 ppm1 0.539 ppm2 5.261 CV 1 ASSI { 585} (( segid "T22D" and resid 96 and name HG2 )) (( segid "T22D" and resid 96 and name HB2 )) 2.300 0.600 0.600 peak 585 spectrum 1 weight 0.10000E+01 volume 0.78765E-02 ppm1 2.086 ppm2 2.151 CV 1 OR { 585} (( segid "T22D" and resid 96 and name HG1 )) (( segid "T22D" and resid 96 and name HB2 )) ASSI { 586} ( segid "T22D" and resid 109 and name HD1%) (( segid "T22D" and resid 109 and name HB2 )) 2.000 0.500 0.500 peak 586 spectrum 1 weight 0.10000E+01 volume 0.12254E-01 ppm1 1.361 ppm2 1.897 CV 1 ASSI { 588} (( segid "T22D" and resid 96 and name HG2 )) (( segid "T22D" and resid 95 and name HA )) 3.900 1.900 1.900 peak 588 spectrum 1 weight 0.10000E+01 volume 0.30449E-02 ppm1 2.090 ppm2 5.138 CV 1 OR { 588} (( segid "T22D" and resid 96 and name HG1 )) (( segid "T22D" and resid 95 and name HA )) ASSI { 589} (( segid "T22D" and resid 96 and name HG1 )) (( segid "T22D" and resid 96 and name HB1 )) 2.400 0.700 0.700 peak 589 spectrum 1 weight 0.10000E+01 volume 0.64649E-02 ppm1 2.089 ppm2 2.502 CV 1 OR { 589} (( segid "T22D" and resid 96 and name HG2 )) (( segid "T22D" and resid 96 and name HB1 )) ASSI { 590} (( segid "T22D" and resid 96 and name HG2 )) (( segid "T22D" and resid 96 and name HD2 )) 2.400 0.700 0.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.56468E-02 ppm1 2.085 ppm2 4.106 CV 1 OR { 590} (( segid "T22D" and resid 96 and name HG1 )) (( segid "T22D" and resid 96 and name HD2 )) ASSI { 591} ( segid "T22D" and resid 109 and name HD1%) (( segid "T22D" and resid 34 and name HB1 )) 3.300 1.400 1.400 peak 591 spectrum 1 weight 0.10000E+01 volume 0.12809E-02 ppm1 1.360 ppm2 2.735 CV 1 ASSI { 593} (( segid "T22D" and resid 96 and name HG1 )) (( segid "T22D" and resid 96 and name HD1 )) 2.400 0.700 0.700 peak 593 spectrum 1 weight 0.10000E+01 volume 0.58586E-02 ppm1 2.084 ppm2 4.009 CV 1 OR { 593} (( segid "T22D" and resid 96 and name HG2 )) (( segid "T22D" and resid 96 and name HD1 )) ASSI { 594} ( segid "T22D" and resid 51 and name HD1%) ( segid "T22D" and resid 46 and name HG2%) 3.400 1.500 1.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.15634E-02 ppm1 0.546 ppm2 1.153 CV 1 ASSI { 595} ( segid "T22D" and resid 109 and name HD1%) (( segid "T22D" and resid 109 and name HB1 )) 2.400 0.700 0.700 peak 595 spectrum 1 weight 0.10000E+01 volume 0.54875E-02 ppm1 1.350 ppm2 1.802 CV 1 ASSI { 596} ( segid "T22D" and resid 109 and name HD1%) (( segid "T22D" and resid 34 and name HA )) 2.400 0.700 0.700 peak 596 spectrum 1 weight 0.10000E+01 volume 0.53436E-02 ppm1 1.352 ppm2 4.964 CV 1 ASSI { 597} ( segid "T22D" and resid 109 and name HD1%) ( segid "T22D" and resid 34 and name HE% ) 3.300 1.300 1.300 peak 597 spectrum 1 weight 0.10000E+01 volume 0.11718E-02 ppm1 1.337 ppm2 7.304 CV 1 ASSI { 598} ( segid "T22D" and resid 109 and name HD1%) ( segid "T22D" and resid 34 and name HD% ) 2.700 0.900 0.900 peak 598 spectrum 1 weight 0.10000E+01 volume 0.24798E-02 ppm1 1.343 ppm2 7.225 CV 1 ASSI { 599} ( segid "T22D" and resid 109 and name HD1%) ( segid "T22D" and resid 111 and name HD% ) 3.300 1.400 1.400 peak 599 spectrum 1 weight 0.10000E+01 volume 0.28826E-02 ppm1 1.344 ppm2 7.096 CV 1 ASSI { 600} ( segid "T22D" and resid 109 and name HD1%) (( segid "T22D" and resid 109 and name HG )) 2.100 0.600 0.600 peak 600 spectrum 1 weight 0.10000E+01 volume 0.92510E-02 ppm1 1.346 ppm2 2.086 CV 1 ASSI { 602} ( segid "T22D" and resid 109 and name HD1%) ( segid "T22D" and resid 111 and name HE% ) 2.100 0.600 0.600 peak 602 spectrum 1 weight 0.10000E+01 volume 0.92723E-02 ppm1 1.344 ppm2 6.726 CV 1 ASSI { 603} (( segid "T22D" and resid 98 and name HG1 )) (( segid "T22D" and resid 98 and name HD1 )) 2.800 1.000 1.000 peak 603 spectrum 1 weight 0.10000E+01 volume 0.19014E-02 ppm1 1.984 ppm2 3.601 CV 1 OR { 603} (( segid "T22D" and resid 98 and name HG2 )) (( segid "T22D" and resid 98 and name HD1 )) ASSI { 605} (( segid "T22D" and resid 98 and name HG2 )) (( segid "T22D" and resid 98 and name HB2 )) 2.600 0.800 0.800 peak 605 spectrum 1 weight 0.10000E+01 volume 0.28400E-02 ppm1 1.978 ppm2 1.572 CV 1 OR { 605} (( segid "T22D" and resid 98 and name HG1 )) (( segid "T22D" and resid 98 and name HB2 )) ASSI { 607} (( segid "T22D" and resid 98 and name HG1 )) ( segid "T22D" and resid 107 and name HG2%) 3.300 1.400 1.400 peak 607 spectrum 1 weight 0.10000E+01 volume 0.63240E-03 ppm1 1.966 ppm2 1.027 CV 1 OR { 607} (( segid "T22D" and resid 98 and name HG2 )) ( segid "T22D" and resid 107 and name HG2%) ASSI { 608} ( segid "T22D" and resid 109 and name HD1%) (( segid "T22D" and resid 109 and name HA )) 3.700 1.700 1.700 peak 608 spectrum 1 weight 0.10000E+01 volume 0.23364E-02 ppm1 1.337 ppm2 4.479 CV 1 ASSI { 611} (( segid "T22D" and resid 86 and name HG2 )) (( segid "T22D" and resid 86 and name HG1 )) 1.800 0.400 0.400 peak 611 spectrum 1 weight 0.10000E+01 volume 0.97510E-02 ppm1 1.810 ppm2 1.641 CV 1 ASSI { 614} (( segid "T22D" and resid 86 and name HG2 )) (( segid "T22D" and resid 34 and name HB1 )) 4.200 2.200 1.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.12392E-02 ppm1 1.813 ppm2 2.743 CV 1 ASSI { 615} (( segid "T22D" and resid 86 and name HG1 )) (( segid "T22D" and resid 34 and name HB1 )) 2.600 0.800 0.800 peak 615 spectrum 1 weight 0.10000E+01 volume 0.11811E-02 ppm1 1.652 ppm2 2.746 CV 1 ASSI { 616} (( segid "T22D" and resid 86 and name HG2 )) ( segid "T22D" and resid 35 and name HG2%) 4.400 2.400 1.600 peak 616 spectrum 1 weight 0.10000E+01 volume 0.83265E-03 ppm1 1.813 ppm2 0.797 CV 1 ASSI { 617} (( segid "T22D" and resid 86 and name HG1 )) ( segid "T22D" and resid 35 and name HG2%) 3.700 1.700 1.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.12665E-02 ppm1 1.632 ppm2 0.801 CV 1 ASSI { 618} ( segid "T22D" and resid 109 and name HD1%) (( segid "T22D" and resid 34 and name HB2 )) 2.900 2.900 3.100 peak 618 spectrum 1 weight 0.10000E+01 volume 0.63077E-03 ppm1 1.350 ppm2 3.526 CV 1 ASSI { 622} (( segid "T22D" and resid 112 and name HG )) ( segid "T22D" and resid 112 and name HD2%) 2.200 0.600 0.600 peak 622 spectrum 1 weight 0.10000E+01 volume 0.82331E-02 ppm1 0.756 ppm2 0.639 CV 1 ASSI { 624} (( segid "T22D" and resid 86 and name HG2 )) (( segid "T22D" and resid 34 and name HB2 )) 4.600 2.700 1.400 peak 624 spectrum 1 weight 0.10000E+01 volume 0.16317E-02 ppm1 1.814 ppm2 3.527 CV 1 ASSI { 625} (( segid "T22D" and resid 51 and name HG )) ( segid "T22D" and resid 55 and name HD% ) 4.300 2.300 1.700 peak 625 spectrum 1 weight 0.10000E+01 volume 0.74808E-03 ppm1 1.481 ppm2 7.781 CV 1 ASSI { 626} (( segid "T22D" and resid 51 and name HG )) (( segid "T22D" and resid 51 and name HB1 )) 2.900 1.100 1.100 peak 626 spectrum 1 weight 0.10000E+01 volume 0.30216E-02 ppm1 1.472 ppm2 1.921 CV 1 ASSI { 629} (( segid "T22D" and resid 86 and name HG1 )) (( segid "T22D" and resid 86 and name HD1 )) 2.800 1.000 1.000 peak 629 spectrum 1 weight 0.10000E+01 volume 0.31012E-02 ppm1 1.641 ppm2 2.953 CV 1 ASSI { 630} (( segid "T22D" and resid 86 and name HG1 )) (( segid "T22D" and resid 86 and name HD2 )) 2.400 0.700 0.700 peak 630 spectrum 1 weight 0.10000E+01 volume 0.42727E-02 ppm1 1.645 ppm2 3.031 CV 1 ASSI { 631} (( segid "T22D" and resid 51 and name HG )) (( segid "T22D" and resid 48 and name HA )) 3.700 1.700 1.700 peak 631 spectrum 1 weight 0.10000E+01 volume 0.70091E-03 ppm1 1.457 ppm2 4.051 CV 1 ASSI { 632} (( segid "T22D" and resid 86 and name HG1 )) (( segid "T22D" and resid 34 and name HB2 )) 3.500 1.500 1.500 peak 632 spectrum 1 weight 0.10000E+01 volume 0.12431E-02 ppm1 1.654 ppm2 3.522 CV 1 ASSI { 633} (( segid "T22D" and resid 112 and name HG )) ( segid "T22D" and resid 111 and name HE% ) 3.100 1.200 1.200 peak 633 spectrum 1 weight 0.10000E+01 volume 0.10645E-02 ppm1 0.774 ppm2 6.724 CV 1 ASSI { 634} (( segid "T22D" and resid 112 and name HG )) (( segid "T22D" and resid 112 and name HA )) 2.900 1.100 1.100 peak 634 spectrum 1 weight 0.10000E+01 volume 0.22527E-02 ppm1 0.774 ppm2 3.666 CV 1 ASSI { 635} (( segid "T22D" and resid 112 and name HG )) (( segid "T22D" and resid 112 and name HB1 )) 3.000 1.100 1.100 peak 635 spectrum 1 weight 0.10000E+01 volume 0.26201E-02 ppm1 0.778 ppm2 1.501 CV 1 ASSI { 636} (( segid "T22D" and resid 112 and name HG )) (( segid "T22D" and resid 112 and name HB2 )) 2.700 0.900 0.900 peak 636 spectrum 1 weight 0.10000E+01 volume 0.16397E-02 ppm1 0.774 ppm2 1.365 CV 1 ASSI { 638} (( segid "T22D" and resid 30 and name HG2 )) (( segid "T22D" and resid 30 and name HD2 )) 2.100 0.500 0.500 peak 638 spectrum 1 weight 0.10000E+01 volume 0.14774E-01 ppm1 1.609 ppm2 3.187 CV 1 OR { 638} (( segid "T22D" and resid 30 and name HG1 )) (( segid "T22D" and resid 30 and name HD1 )) OR { 638} (( segid "T22D" and resid 30 and name HG1 )) (( segid "T22D" and resid 30 and name HD2 )) OR { 638} (( segid "T22D" and resid 30 and name HG2 )) (( segid "T22D" and resid 30 and name HD1 )) ASSI { 639} (( segid "T22D" and resid 98 and name HG2 )) (( segid "T22D" and resid 97 and name HA )) 4.500 2.500 1.500 peak 639 spectrum 1 weight 0.10000E+01 volume 0.60292E-03 ppm1 1.990 ppm2 6.033 CV 1 OR { 639} (( segid "T22D" and resid 98 and name HG1 )) (( segid "T22D" and resid 97 and name HA )) ASSI { 640} (( segid "T22D" and resid 70 and name HG1 )) (( segid "T22D" and resid 71 and name HB2 )) 3.600 3.600 2.400 peak 640 spectrum 1 weight 0.10000E+01 volume 0.84257E-03 ppm1 1.703 ppm2 2.840 CV 1 ASSI { 641} (( segid "T22D" and resid 70 and name HG2 )) (( segid "T22D" and resid 70 and name HD2 )) 1.900 0.500 0.500 peak 641 spectrum 1 weight 0.10000E+01 volume 0.24884E-01 ppm1 1.675 ppm2 3.207 CV 1 OR { 641} (( segid "T22D" and resid 70 and name HG1 )) (( segid "T22D" and resid 70 and name HD1 )) OR { 641} (( segid "T22D" and resid 70 and name HG1 )) (( segid "T22D" and resid 70 and name HD2 )) OR { 641} (( segid "T22D" and resid 70 and name HG2 )) (( segid "T22D" and resid 70 and name HD1 )) ASSI { 642} (( segid "T22D" and resid 99 and name HG11)) (( segid "T22D" and resid 99 and name HA )) 3.200 1.300 1.300 peak 642 spectrum 1 weight 0.10000E+01 volume 0.35642E-02 ppm1 1.470 ppm2 4.147 CV 1 ASSI { 643} (( segid "T22D" and resid 70 and name HG2 )) (( segid "T22D" and resid 70 and name HA )) 2.500 0.800 0.800 peak 643 spectrum 1 weight 0.10000E+01 volume 0.95471E-02 ppm1 1.695 ppm2 4.060 CV 1 OR { 643} (( segid "T22D" and resid 70 and name HG1 )) (( segid "T22D" and resid 70 and name HA )) ASSI { 644} (( segid "T22D" and resid 109 and name HG )) (( segid "T22D" and resid 109 and name HA )) 2.900 1.100 1.100 peak 644 spectrum 1 weight 0.10000E+01 volume 0.22551E-02 ppm1 2.073 ppm2 4.474 CV 1 ASSI { 645} (( segid "T22D" and resid 117 and name HG2 )) (( segid "T22D" and resid 117 and name HA )) 2.700 0.900 0.900 peak 645 spectrum 1 weight 0.10000E+01 volume 0.53469E-02 ppm1 1.656 ppm2 4.406 CV 1 OR { 645} (( segid "T22D" and resid 117 and name HG1 )) (( segid "T22D" and resid 117 and name HA )) ASSI { 646} (( segid "T22D" and resid 30 and name HG1 )) (( segid "T22D" and resid 30 and name HA )) 2.700 0.900 0.900 peak 646 spectrum 1 weight 0.10000E+01 volume 0.57210E-02 ppm1 1.614 ppm2 4.296 CV 1 OR { 646} (( segid "T22D" and resid 30 and name HG2 )) (( segid "T22D" and resid 30 and name HA )) ASSI { 647} (( segid "T22D" and resid 99 and name HG11)) ( segid "T22D" and resid 99 and name HG2%) 2.300 0.700 0.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.81930E-02 ppm1 1.465 ppm2 0.545 CV 1 ASSI { 650} (( segid "T22D" and resid 109 and name HG )) ( segid "T22D" and resid 111 and name HE% ) 4.500 2.500 1.500 peak 650 spectrum 1 weight 0.10000E+01 volume 0.69900E-03 ppm1 2.071 ppm2 6.729 CV 1 ASSI { 651} (( segid "T22D" and resid 61 and name HG11)) ( segid "T22D" and resid 81 and name HG2%) 3.900 1.900 1.900 peak 651 spectrum 1 weight 0.10000E+01 volume 0.19973E-02 ppm1 1.526 ppm2 0.271 CV 1 ASSI { 653} (( segid "T22D" and resid 61 and name HG12)) ( segid "T22D" and resid 61 and name HG2%) 2.300 0.600 0.600 peak 653 spectrum 1 weight 0.10000E+01 volume 0.58473E-02 ppm1 0.926 ppm2 0.607 CV 1 ASSI { 654} (( segid "T22D" and resid 61 and name HG12)) (( segid "T22D" and resid 61 and name HG11)) 1.900 0.400 0.400 peak 654 spectrum 1 weight 0.10000E+01 volume 0.60237E-02 ppm1 0.934 ppm2 1.530 CV 1 ASSI { 655} (( segid "T22D" and resid 61 and name HG12)) ( segid "T22D" and resid 81 and name HG1%) 2.400 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.30284E-02 ppm1 0.921 ppm2 0.532 CV 1 ASSI { 658} (( segid "T22D" and resid 61 and name HG12)) (( segid "T22D" and resid 61 and name HA )) 2.400 0.700 0.700 peak 658 spectrum 1 weight 0.10000E+01 volume 0.31288E-02 ppm1 0.923 ppm2 4.114 CV 1 ASSI { 659} (( segid "T22D" and resid 61 and name HG12)) ( segid "T22D" and resid 81 and name HG2%) 3.300 1.400 1.400 peak 659 spectrum 1 weight 0.10000E+01 volume 0.23861E-02 ppm1 0.926 ppm2 0.284 CV 1 ASSI { 665} (( segid "T22D" and resid 61 and name HG11)) (( segid "T22D" and resid 61 and name HA )) 2.700 0.900 0.900 peak 665 spectrum 1 weight 0.10000E+01 volume 0.25259E-02 ppm1 1.532 ppm2 4.109 CV 1 ASSI { 666} (( segid "T22D" and resid 116 and name HG2 )) (( segid "T22D" and resid 116 and name HB2 )) 2.000 0.500 0.500 peak 666 spectrum 1 weight 0.10000E+01 volume 0.18042E-01 ppm1 2.018 ppm2 1.873 CV 1 OR { 666} (( segid "T22D" and resid 116 and name HG1 )) (( segid "T22D" and resid 116 and name HB2 )) ASSI { 667} (( segid "T22D" and resid 116 and name HG1 )) (( segid "T22D" and resid 116 and name HB1 )) 2.200 0.600 0.600 peak 667 spectrum 1 weight 0.10000E+01 volume 0.81280E-02 ppm1 2.011 ppm2 2.295 CV 1 ASSI { 668} (( segid "T22D" and resid 99 and name HG11)) (( segid "T22D" and resid 99 and name HG12)) 1.700 0.400 0.500 peak 668 spectrum 1 weight 0.10000E+01 volume 0.15221E-01 ppm1 1.459 ppm2 1.143 CV 1 ASSI { 674} (( segid "T22D" and resid 99 and name HG12)) (( segid "T22D" and resid 99 and name HB )) 2.500 0.800 0.800 peak 674 spectrum 1 weight 0.10000E+01 volume 0.40708E-02 ppm1 1.146 ppm2 1.801 CV 1 ASSI { 675} (( segid "T22D" and resid 99 and name HG12)) (( segid "T22D" and resid 99 and name HA )) 2.900 1.100 1.100 peak 675 spectrum 1 weight 0.10000E+01 volume 0.23242E-02 ppm1 1.148 ppm2 4.152 CV 1 ASSI { 677} (( segid "T22D" and resid 116 and name HG2 )) (( segid "T22D" and resid 116 and name HD2 )) 2.100 0.500 0.500 peak 677 spectrum 1 weight 0.10000E+01 volume 0.98161E-02 ppm1 2.015 ppm2 3.614 CV 1 ASSI { 678} (( segid "T22D" and resid 116 and name HG1 )) (( segid "T22D" and resid 116 and name HD1 )) 2.000 0.500 0.500 peak 678 spectrum 1 weight 0.10000E+01 volume 0.10241E-01 ppm1 2.010 ppm2 3.796 CV 1 ASSI { 679} (( segid "T22D" and resid 116 and name HG1 )) (( segid "T22D" and resid 116 and name HA )) 3.200 1.300 1.300 peak 679 spectrum 1 weight 0.10000E+01 volume 0.38299E-02 ppm1 2.002 ppm2 4.402 CV 1 ASSI { 681} (( segid "T22D" and resid 109 and name HG )) (( segid "T22D" and resid 90 and name HA )) 3.100 1.200 1.200 peak 681 spectrum 1 weight 0.10000E+01 volume 0.16851E-02 ppm1 2.095 ppm2 4.050 CV 1 ASSI { 685} (( segid "T22D" and resid 76 and name HG1 )) (( segid "T22D" and resid 76 and name HB2 )) 2.600 0.900 0.900 peak 685 spectrum 1 weight 0.10000E+01 volume 0.19854E-02 ppm1 1.728 ppm2 2.293 CV 1 ASSI { 686} (( segid "T22D" and resid 76 and name HG1 )) (( segid "T22D" and resid 76 and name HG2 )) 1.900 0.500 0.500 peak 686 spectrum 1 weight 0.10000E+01 volume 0.56455E-02 ppm1 1.738 ppm2 1.508 CV 1 ASSI { 690} (( segid "T22D" and resid 76 and name HG1 )) (( segid "T22D" and resid 76 and name HD2 )) 2.700 0.900 0.900 peak 690 spectrum 1 weight 0.10000E+01 volume 0.19731E-02 ppm1 1.735 ppm2 3.072 CV 1 ASSI { 692} (( segid "T22D" and resid 37 and name HG12)) (( segid "T22D" and resid 81 and name HB )) 4.800 2.900 1.200 peak 692 spectrum 1 weight 0.10000E+01 volume 0.48957E-03 ppm1 0.525 ppm2 1.091 CV 1 ASSI { 695} (( segid "T22D" and resid 76 and name HG2 )) (( segid "T22D" and resid 76 and name HB2 )) 3.300 1.400 1.400 peak 695 spectrum 1 weight 0.10000E+01 volume 0.18094E-02 ppm1 1.515 ppm2 2.299 CV 1 ASSI { 697} (( segid "T22D" and resid 76 and name HG2 )) (( segid "T22D" and resid 76 and name HD2 )) 2.900 1.000 1.000 peak 697 spectrum 1 weight 0.10000E+01 volume 0.16843E-02 ppm1 1.507 ppm2 3.071 CV 1 ASSI { 698} (( segid "T22D" and resid 43 and name HG1 )) (( segid "T22D" and resid 43 and name HD1 )) 2.700 0.900 0.900 peak 698 spectrum 1 weight 0.10000E+01 volume 0.14830E-02 ppm1 2.224 ppm2 3.793 CV 1 ASSI { 699} (( segid "T22D" and resid 43 and name HG2 )) (( segid "T22D" and resid 43 and name HG1 )) 2.100 0.500 0.500 peak 699 spectrum 1 weight 0.10000E+01 volume 0.38847E-02 ppm1 1.809 ppm2 2.225 CV 1 ASSI { 700} (( segid "T22D" and resid 43 and name HG2 )) (( segid "T22D" and resid 43 and name HD1 )) 3.800 1.800 1.800 peak 700 spectrum 1 weight 0.10000E+01 volume 0.68298E-03 ppm1 1.810 ppm2 3.786 CV 1 ASSI { 703} (( segid "T22D" and resid 43 and name HG1 )) (( segid "T22D" and resid 42 and name HA )) 4.800 2.800 1.200 peak 703 spectrum 1 weight 0.10000E+01 volume 0.71230E-03 ppm1 2.215 ppm2 4.321 CV 1 ASSI { 706} (( segid "T22D" and resid 37 and name HG11)) (( segid "T22D" and resid 37 and name HG12)) 2.100 0.500 0.500 peak 706 spectrum 1 weight 0.10000E+01 volume 0.35673E-02 ppm1 1.724 ppm2 0.525 CV 1 ASSI { 707} (( segid "T22D" and resid 37 and name HG11)) (( segid "T22D" and resid 37 and name HA )) 3.300 1.400 1.400 peak 707 spectrum 1 weight 0.10000E+01 volume 0.93277E-03 ppm1 1.730 ppm2 4.201 CV 1 ASSI { 708} (( segid "T22D" and resid 37 and name HG12)) ( segid "T22D" and resid 109 and name HD2%) 3.000 1.100 1.100 peak 708 spectrum 1 weight 0.10000E+01 volume 0.89770E-03 ppm1 0.529 ppm2 0.884 CV 1 ASSI { 711} (( segid "T22D" and resid 57 and name HB1 )) (( segid "T22D" and resid 57 and name HA )) 2.500 0.800 0.800 peak 711 spectrum 1 weight 0.10000E+01 volume 0.61217E-02 ppm1 1.577 ppm2 4.079 CV 1 OR { 711} (( segid "T22D" and resid 57 and name HB2 )) (( segid "T22D" and resid 57 and name HA )) ASSI { 712} (( segid "T22D" and resid 43 and name HG1 )) (( segid "T22D" and resid 101 and name HB2 )) 3.300 1.300 1.300 peak 712 spectrum 1 weight 0.10000E+01 volume 0.16722E-02 ppm1 2.235 ppm2 3.003 CV 1 ASSI { 713} (( segid "T22D" and resid 57 and name HB2 )) (( segid "T22D" and resid 57 and name HG2 )) 2.900 1.100 1.100 peak 713 spectrum 1 weight 0.10000E+01 volume 0.25282E-02 ppm1 1.587 ppm2 0.045 CV 1 OR { 713} (( segid "T22D" and resid 57 and name HB1 )) (( segid "T22D" and resid 57 and name HG2 )) ASSI { 714} (( segid "T22D" and resid 43 and name HG1 )) (( segid "T22D" and resid 43 and name HB2 )) 3.000 1.100 1.100 peak 714 spectrum 1 weight 0.10000E+01 volume 0.22142E-02 ppm1 2.224 ppm2 1.617 CV 1 ASSI { 715} (( segid "T22D" and resid 103 and name HG1 )) (( segid "T22D" and resid 103 and name HD1 )) 3.800 1.800 1.800 peak 715 spectrum 1 weight 0.10000E+01 volume 0.88102E-03 ppm1 1.435 ppm2 2.735 CV 1 ASSI { 718} (( segid "T22D" and resid 103 and name HG2 )) (( segid "T22D" and resid 103 and name HD1 )) 2.800 1.000 1.000 peak 718 spectrum 1 weight 0.10000E+01 volume 0.16058E-02 ppm1 1.798 ppm2 2.732 CV 1 ASSI { 720} (( segid "T22D" and resid 93 and name HB1 )) (( segid "T22D" and resid 93 and name HB2 )) 1.900 0.500 0.500 peak 720 spectrum 1 weight 0.10000E+01 volume 0.78807E-02 ppm1 3.040 ppm2 2.800 CV 1 ASSI { 721} (( segid "T22D" and resid 56 and name HB1 )) ( segid "T22D" and resid 81 and name HG2%) 4.600 2.700 1.400 peak 721 spectrum 1 weight 0.10000E+01 volume 0.84053E-03 ppm1 2.067 ppm2 0.291 CV 1 ASSI { 726} (( segid "T22D" and resid 93 and name HB2 )) (( segid "T22D" and resid 93 and name HA )) 3.000 1.100 1.100 peak 726 spectrum 1 weight 0.10000E+01 volume 0.26987E-02 ppm1 2.803 ppm2 4.260 CV 1 ASSI { 729} (( segid "T22D" and resid 56 and name HB1 )) (( segid "T22D" and resid 56 and name HA )) 2.500 0.800 0.800 peak 729 spectrum 1 weight 0.10000E+01 volume 0.36751E-02 ppm1 2.057 ppm2 4.404 CV 1 ASSI { 730} (( segid "T22D" and resid 94 and name HD2 )) (( segid "T22D" and resid 94 and name HA )) 2.600 0.800 0.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.54091E-02 ppm1 1.756 ppm2 3.881 CV 1 OR { 730} (( segid "T22D" and resid 94 and name HD1 )) (( segid "T22D" and resid 94 and name HA )) ASSI { 731} (( segid "T22D" and resid 103 and name HG2 )) (( segid "T22D" and resid 103 and name HD2 )) 3.300 1.400 1.400 peak 731 spectrum 1 weight 0.10000E+01 volume 0.17142E-02 ppm1 1.788 ppm2 2.895 CV 1 ASSI { 732} (( segid "T22D" and resid 56 and name HB2 )) (( segid "T22D" and resid 56 and name HA )) 2.500 0.800 0.800 peak 732 spectrum 1 weight 0.10000E+01 volume 0.37591E-02 ppm1 2.147 ppm2 4.404 CV 1 ASSI { 733} (( segid "T22D" and resid 56 and name HB2 )) (( segid "T22D" and resid 56 and name HG2 )) 3.100 1.200 1.200 peak 733 spectrum 1 weight 0.10000E+01 volume 0.24443E-02 ppm1 2.133 ppm2 2.621 CV 1 ASSI { 734} (( segid "T22D" and resid 103 and name HG1 )) (( segid "T22D" and resid 103 and name HD2 )) 3.000 1.100 1.100 peak 734 spectrum 1 weight 0.10000E+01 volume 0.11053E-02 ppm1 1.442 ppm2 2.897 CV 1 ASSI { 735} (( segid "T22D" and resid 103 and name HG1 )) (( segid "3T5T" and resid 3 and name H73 )) 3.900 1.900 1.900 peak 735 spectrum 1 weight 0.10000E+01 volume 0.73140E-03 ppm1 1.412 ppm2 1.906 CV 1 OR { 735} (( segid "T22D" and resid 103 and name HG1 )) (( segid "3T5T" and resid 3 and name H71 )) OR { 735} (( segid "T22D" and resid 103 and name HG1 )) (( segid "3T5T" and resid 3 and name H72 )) ASSI { 737} (( segid "T22D" and resid 56 and name HB2 )) (( segid "T22D" and resid 56 and name HG1 )) 2.700 0.900 0.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.26897E-02 ppm1 2.134 ppm2 2.427 CV 1 ASSI { 738} (( segid "T22D" and resid 74 and name HD2 )) (( segid "T22D" and resid 74 and name HE1 )) 2.500 0.800 0.800 peak 738 spectrum 1 weight 0.10000E+01 volume 0.44679E-02 ppm1 1.547 ppm2 2.729 CV 1 OR { 738} (( segid "T22D" and resid 74 and name HD1 )) (( segid "T22D" and resid 74 and name HE1 )) ASSI { 739} (( segid "T22D" and resid 74 and name HD1 )) (( segid "T22D" and resid 74 and name HE2 )) 2.500 0.800 0.800 peak 739 spectrum 1 weight 0.10000E+01 volume 0.52952E-02 ppm1 1.557 ppm2 2.836 CV 1 OR { 739} (( segid "T22D" and resid 74 and name HD2 )) (( segid "T22D" and resid 74 and name HE2 )) ASSI { 740} (( segid "T22D" and resid 74 and name HD2 )) (( segid "T22D" and resid 74 and name HA )) 2.400 0.700 0.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.47556E-02 ppm1 1.544 ppm2 4.364 CV 1 OR { 740} (( segid "T22D" and resid 74 and name HD1 )) (( segid "T22D" and resid 74 and name HA )) ASSI { 741} (( segid "T22D" and resid 74 and name HD2 )) (( segid "T22D" and resid 72 and name HB )) 3.600 1.700 1.700 peak 741 spectrum 1 weight 0.10000E+01 volume 0.24464E-02 ppm1 1.554 ppm2 4.320 CV 1 OR { 741} (( segid "T22D" and resid 74 and name HD1 )) (( segid "T22D" and resid 72 and name HB )) ASSI { 747} (( segid "T22D" and resid 52 and name HB2 )) (( segid "T22D" and resid 53 and name HG2 )) 4.000 2.000 2.000 peak 747 spectrum 1 weight 0.10000E+01 volume 0.55317E-03 ppm1 3.588 ppm2 2.650 CV 1 OR { 747} (( segid "T22D" and resid 52 and name HB1 )) (( segid "T22D" and resid 53 and name HG2 )) ASSI { 749} (( segid "T22D" and resid 90 and name HB2 )) (( segid "T22D" and resid 90 and name HA )) 2.300 0.700 0.700 peak 749 spectrum 1 weight 0.10000E+01 volume 0.55613E-02 ppm1 2.226 ppm2 4.052 CV 1 ASSI { 752} (( segid "T22D" and resid 91 and name HG2 )) (( segid "T22D" and resid 91 and name HG1 )) 1.900 0.400 0.400 peak 752 spectrum 1 weight 0.10000E+01 volume 0.75992E-02 ppm1 2.086 ppm2 1.710 CV 1 ASSI { 753} (( segid "T22D" and resid 84 and name HD2 )) (( segid "T22D" and resid 60 and name HB1 )) 2.600 0.900 0.900 peak 753 spectrum 1 weight 0.10000E+01 volume 0.42406E-02 ppm1 1.710 ppm2 2.538 CV 1 OR { 753} (( segid "T22D" and resid 84 and name HD1 )) (( segid "T22D" and resid 60 and name HB1 )) ASSI { 754} (( segid "T22D" and resid 84 and name HD2 )) (( segid "T22D" and resid 84 and name HE1 )) 2.400 0.700 0.700 peak 754 spectrum 1 weight 0.10000E+01 volume 0.60033E-02 ppm1 1.708 ppm2 2.919 CV 1 OR { 754} (( segid "T22D" and resid 84 and name HD1 )) (( segid "T22D" and resid 84 and name HE2 )) OR { 754} (( segid "T22D" and resid 84 and name HD2 )) (( segid "T22D" and resid 84 and name HE2 )) OR { 754} (( segid "T22D" and resid 84 and name HD1 )) (( segid "T22D" and resid 84 and name HE1 )) ASSI { 755} (( segid "T22D" and resid 84 and name HD2 )) (( segid "T22D" and resid 60 and name HB2 )) 2.800 1.000 1.000 peak 755 spectrum 1 weight 0.10000E+01 volume 0.40401E-02 ppm1 1.706 ppm2 2.598 CV 1 OR { 755} (( segid "T22D" and resid 84 and name HD1 )) (( segid "T22D" and resid 60 and name HB2 )) ASSI { 759} (( segid "T22D" and resid 90 and name HB2 )) ( segid "T22D" and resid 87 and name HB% ) 4.100 2.100 1.900 peak 759 spectrum 1 weight 0.10000E+01 volume 0.11922E-02 ppm1 2.216 ppm2 1.518 CV 1 ASSI { 761} (( segid "T22D" and resid 90 and name HB2 )) (( segid "T22D" and resid 90 and name HG2 )) 2.700 0.900 0.900 peak 761 spectrum 1 weight 0.10000E+01 volume 0.52443E-02 ppm1 2.232 ppm2 2.555 CV 1 ASSI { 763} (( segid "T22D" and resid 90 and name HB2 )) (( segid "T22D" and resid 87 and name HA )) 2.900 1.000 1.000 peak 763 spectrum 1 weight 0.10000E+01 volume 0.29551E-02 ppm1 2.208 ppm2 4.243 CV 1 ASSI { 764} (( segid "T22D" and resid 56 and name HB1 )) (( segid "T22D" and resid 56 and name HG2 )) 2.500 0.800 0.800 peak 764 spectrum 1 weight 0.10000E+01 volume 0.28391E-02 ppm1 2.072 ppm2 2.628 CV 1 ASSI { 766} (( segid "T22D" and resid 104 and name HD2 )) ( segid "T22D" and resid 99 and name HD1%) 3.200 1.300 1.300 peak 766 spectrum 1 weight 0.10000E+01 volume 0.19608E-02 ppm1 1.611 ppm2 0.705 CV 1 OR { 766} (( segid "T22D" and resid 104 and name HD1 )) ( segid "T22D" and resid 99 and name HD1%) ASSI { 767} (( segid "T22D" and resid 52 and name HB1 )) (( segid "T22D" and resid 52 and name HD2 )) 3.100 1.200 1.200 peak 767 spectrum 1 weight 0.10000E+01 volume 0.13535E-02 ppm1 3.590 ppm2 7.299 CV 1 OR { 767} (( segid "T22D" and resid 52 and name HB2 )) (( segid "T22D" and resid 52 and name HD2 )) ASSI { 768} (( segid "T22D" and resid 52 and name HB1 )) ( segid "T22D" and resid 61 and name HG2%) 5.100 3.300 0.900 peak 768 spectrum 1 weight 0.10000E+01 volume 0.45404E-03 ppm1 3.592 ppm2 0.601 CV 1 OR { 768} (( segid "T22D" and resid 52 and name HB2 )) ( segid "T22D" and resid 61 and name HG2%) ASSI { 770} (( segid "T22D" and resid 104 and name HD2 )) (( segid "T22D" and resid 97 and name HA )) 3.600 1.600 1.600 peak 770 spectrum 1 weight 0.10000E+01 volume 0.78361E-03 ppm1 1.628 ppm2 6.045 CV 1 OR { 770} (( segid "T22D" and resid 104 and name HD1 )) (( segid "T22D" and resid 97 and name HA )) ASSI { 771} (( segid "T22D" and resid 91 and name HG1 )) (( segid "T22D" and resid 91 and name HA )) 3.100 1.200 1.200 peak 771 spectrum 1 weight 0.10000E+01 volume 0.40579E-02 ppm1 1.727 ppm2 3.980 CV 1 ASSI { 773} (( segid "T22D" and resid 91 and name HG1 )) (( segid "T22D" and resid 91 and name HD2 )) 2.600 0.800 0.800 peak 773 spectrum 1 weight 0.10000E+01 volume 0.38540E-02 ppm1 1.711 ppm2 3.599 CV 1 ASSI { 774} (( segid "T22D" and resid 104 and name HD2 )) (( segid "T22D" and resid 97 and name HB1 )) 2.800 1.000 1.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.21443E-02 ppm1 1.620 ppm2 2.426 CV 1 OR { 774} (( segid "T22D" and resid 104 and name HD1 )) (( segid "T22D" and resid 97 and name HB1 )) ASSI { 775} (( segid "T22D" and resid 91 and name HG2 )) (( segid "T22D" and resid 91 and name HA )) 2.700 0.900 0.900 peak 775 spectrum 1 weight 0.10000E+01 volume 0.30030E-02 ppm1 2.101 ppm2 3.977 CV 1 ASSI { 778} (( segid "T22D" and resid 91 and name HG2 )) (( segid "T22D" and resid 91 and name HD2 )) 2.800 0.900 0.900 peak 778 spectrum 1 weight 0.10000E+01 volume 0.31213E-02 ppm1 2.095 ppm2 3.597 CV 1 ASSI { 780} (( segid "T22D" and resid 104 and name HD1 )) (( segid "T22D" and resid 97 and name HB2 )) 3.200 1.300 1.300 peak 780 spectrum 1 weight 0.10000E+01 volume 0.32688E-02 ppm1 1.618 ppm2 2.799 CV 1 ASSI { 782} (( segid "T22D" and resid 53 and name HB1 )) (( segid "T22D" and resid 53 and name HA )) 2.300 0.600 0.600 peak 782 spectrum 1 weight 0.10000E+01 volume 0.79624E-02 ppm1 2.070 ppm2 4.060 CV 1 ASSI { 784} (( segid "T22D" and resid 52 and name HB2 )) (( segid "T22D" and resid 53 and name HB2 )) 4.700 2.800 1.300 peak 784 spectrum 1 weight 0.10000E+01 volume 0.48632E-03 ppm1 3.589 ppm2 2.271 CV 1 OR { 784} (( segid "T22D" and resid 52 and name HB1 )) (( segid "T22D" and resid 53 and name HB2 )) ASSI { 785} (( segid "T22D" and resid 53 and name HB2 )) (( segid "T22D" and resid 50 and name HA )) 2.600 0.800 0.800 peak 785 spectrum 1 weight 0.10000E+01 volume 0.37421E-02 ppm1 2.267 ppm2 4.178 CV 1 ASSI { 787} (( segid "T22D" and resid 53 and name HB2 )) (( segid "T22D" and resid 53 and name HG2 )) 2.600 0.800 0.800 peak 787 spectrum 1 weight 0.10000E+01 volume 0.39429E-02 ppm1 2.275 ppm2 2.652 CV 1 ASSI { 791} (( segid "T22D" and resid 45 and name HB1 )) (( segid "T22D" and resid 45 and name HB2 )) 2.100 0.500 0.500 peak 791 spectrum 1 weight 0.10000E+01 volume 0.74420E-02 ppm1 3.064 ppm2 3.439 CV 1 ASSI { 793} (( segid "T22D" and resid 45 and name HB1 )) (( segid "T22D" and resid 45 and name HD2 )) 3.400 1.400 1.400 peak 793 spectrum 1 weight 0.10000E+01 volume 0.11465E-02 ppm1 3.051 ppm2 7.126 CV 1 ASSI { 795} (( segid "T22D" and resid 36 and name HD1 )) (( segid "T22D" and resid 36 and name HB2 )) 3.100 1.200 1.200 peak 795 spectrum 1 weight 0.10000E+01 volume 0.19376E-02 ppm1 1.510 ppm2 2.050 CV 1 ASSI { 796} (( segid "T22D" and resid 36 and name HD1 )) (( segid "T22D" and resid 36 and name HE1 )) 3.100 1.200 1.200 peak 796 spectrum 1 weight 0.10000E+01 volume 0.20827E-02 ppm1 1.517 ppm2 2.773 CV 1 ASSI { 797} (( segid "T22D" and resid 36 and name HD1 )) (( segid "T22D" and resid 36 and name HG1 )) 3.300 1.400 1.400 peak 797 spectrum 1 weight 0.10000E+01 volume 0.16047E-02 ppm1 1.515 ppm2 0.964 CV 1 ASSI { 799} (( segid "T22D" and resid 36 and name HD2 )) (( segid "T22D" and resid 36 and name HG1 )) 2.900 1.000 1.000 peak 799 spectrum 1 weight 0.10000E+01 volume 0.11881E-02 ppm1 1.623 ppm2 0.928 CV 1 ASSI { 801} (( segid "T22D" and resid 70 and name HB2 )) (( segid "T22D" and resid 70 and name HA )) 2.000 0.500 0.500 peak 801 spectrum 1 weight 0.10000E+01 volume 0.20328E-01 ppm1 1.859 ppm2 4.061 CV 1 OR { 801} (( segid "T22D" and resid 70 and name HB1 )) (( segid "T22D" and resid 70 and name HA )) ASSI { 802} (( segid "T22D" and resid 70 and name HB2 )) (( segid "T22D" and resid 69 and name HA )) 4.400 2.400 1.600 peak 802 spectrum 1 weight 0.10000E+01 volume 0.12271E-02 ppm1 1.854 ppm2 4.608 CV 1 OR { 802} (( segid "T22D" and resid 70 and name HB1 )) (( segid "T22D" and resid 69 and name HA )) ASSI { 803} (( segid "T22D" and resid 36 and name HD1 )) (( segid "T22D" and resid 36 and name HE2 )) 2.700 0.900 0.900 peak 803 spectrum 1 weight 0.10000E+01 volume 0.21018E-02 ppm1 1.520 ppm2 2.247 CV 1 ASSI { 804} (( segid "T22D" and resid 86 and name HB2 )) (( segid "T22D" and resid 34 and name HB1 )) 3.500 1.600 1.600 peak 804 spectrum 1 weight 0.10000E+01 volume 0.78536E-03 ppm1 1.916 ppm2 2.735 CV 1 ASSI { 806} (( segid "T22D" and resid 86 and name HB1 )) (( segid "T22D" and resid 86 and name HD2 )) 2.800 1.000 1.000 peak 806 spectrum 1 weight 0.10000E+01 volume 0.31400E-02 ppm1 1.842 ppm2 3.031 CV 1 ASSI { 807} (( segid "T22D" and resid 86 and name HB2 )) (( segid "T22D" and resid 34 and name HB2 )) 3.200 1.300 1.300 peak 807 spectrum 1 weight 0.10000E+01 volume 0.10908E-02 ppm1 1.925 ppm2 3.525 CV 1 ASSI { 808} (( segid "T22D" and resid 86 and name HB1 )) (( segid "T22D" and resid 34 and name HB2 )) 4.400 2.400 1.600 peak 808 spectrum 1 weight 0.10000E+01 volume 0.11406E-02 ppm1 1.847 ppm2 3.521 CV 1 ASSI { 810} (( segid "T22D" and resid 86 and name HB2 )) (( segid "T22D" and resid 86 and name HD2 )) 2.600 2.600 3.400 peak 810 spectrum 1 weight 0.10000E+01 volume 0.30660E-02 ppm1 1.925 ppm2 3.034 CV 1 ASSI { 811} (( segid "T22D" and resid 86 and name HB1 )) (( segid "T22D" and resid 86 and name HD1 )) 2.600 0.800 0.800 peak 811 spectrum 1 weight 0.10000E+01 volume 0.33411E-02 ppm1 1.856 ppm2 2.956 CV 1 ASSI { 812} (( segid "T22D" and resid 30 and name HB1 )) (( segid "T22D" and resid 30 and name HD1 )) 2.300 0.700 0.700 peak 812 spectrum 1 weight 0.10000E+01 volume 0.10881E-01 ppm1 1.862 ppm2 3.196 CV 1 OR { 812} (( segid "T22D" and resid 30 and name HB1 )) (( segid "T22D" and resid 30 and name HD2 )) ASSI { 815} (( segid "T22D" and resid 30 and name HB1 )) (( segid "T22D" and resid 30 and name HA )) 2.300 0.700 0.700 peak 815 spectrum 1 weight 0.10000E+01 volume 0.84954E-02 ppm1 1.860 ppm2 4.296 CV 1 ASSI { 816} (( segid "T22D" and resid 30 and name HB2 )) (( segid "T22D" and resid 30 and name HA )) 2.400 0.700 0.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.65483E-02 ppm1 1.779 ppm2 4.296 CV 1 ASSI { 819} (( segid "T22D" and resid 62 and name HB2 )) ( segid "T22D" and resid 61 and name HG2%) 4.900 3.000 1.100 peak 819 spectrum 1 weight 0.10000E+01 volume 0.45062E-03 ppm1 1.821 ppm2 0.604 CV 1 ASSI { 821} (( segid "T22D" and resid 62 and name HB1 )) (( segid "T22D" and resid 82 and name HB )) 2.700 0.900 0.900 peak 821 spectrum 1 weight 0.10000E+01 volume 0.19151E-02 ppm1 1.702 ppm2 3.909 CV 1 ASSI { 823} (( segid "T22D" and resid 30 and name HB2 )) (( segid "T22D" and resid 30 and name HD2 )) 2.500 0.800 0.800 peak 823 spectrum 1 weight 0.10000E+01 volume 0.78607E-02 ppm1 1.762 ppm2 3.191 CV 1 OR { 823} (( segid "T22D" and resid 30 and name HB2 )) (( segid "T22D" and resid 30 and name HD1 )) ASSI { 824} (( segid "T22D" and resid 117 and name HB2 )) (( segid "T22D" and resid 117 and name HA )) 2.400 0.700 0.700 peak 824 spectrum 1 weight 0.10000E+01 volume 0.80788E-02 ppm1 1.844 ppm2 4.400 CV 1 OR { 824} (( segid "T22D" and resid 117 and name HB1 )) (( segid "T22D" and resid 117 and name HA )) ASSI { 825} (( segid "T22D" and resid 62 and name HB1 )) (( segid "T22D" and resid 62 and name HA )) 2.500 0.800 0.800 peak 825 spectrum 1 weight 0.10000E+01 volume 0.74149E-02 ppm1 1.722 ppm2 4.402 CV 1 ASSI { 826} (( segid "T22D" and resid 62 and name HB1 )) ( segid "T22D" and resid 81 and name HG1%) 4.300 2.400 1.700 peak 826 spectrum 1 weight 0.10000E+01 volume 0.55938E-03 ppm1 1.701 ppm2 0.515 CV 1 ASSI { 827} (( segid "T22D" and resid 62 and name HB2 )) (( segid "T22D" and resid 82 and name HB )) 3.500 1.500 1.500 peak 827 spectrum 1 weight 0.10000E+01 volume 0.25631E-02 ppm1 1.821 ppm2 3.916 CV 1 ASSI { 830} (( segid "T22D" and resid 33 and name HG2 )) (( segid "T22D" and resid 33 and name HB2 )) 3.000 1.100 1.100 peak 830 spectrum 1 weight 0.10000E+01 volume 0.38743E-02 ppm1 1.258 ppm2 1.793 CV 1 ASSI { 831} (( segid "T22D" and resid 33 and name HG2 )) ( segid "T22D" and resid 111 and name HD% ) 3.100 1.200 1.200 peak 831 spectrum 1 weight 0.10000E+01 volume 0.12870E-02 ppm1 1.262 ppm2 7.096 CV 1 ASSI { 832} (( segid "T22D" and resid 33 and name HG1 )) (( segid "T22D" and resid 33 and name HA )) 2.900 1.100 1.100 peak 832 spectrum 1 weight 0.10000E+01 volume 0.21005E-02 ppm1 0.905 ppm2 3.744 CV 1 ASSI { 833} (( segid "T22D" and resid 62 and name HB1 )) ( segid "T22D" and resid 61 and name HG2%) 4.400 2.400 1.600 peak 833 spectrum 1 weight 0.10000E+01 volume 0.70133E-03 ppm1 1.707 ppm2 0.592 CV 1 ASSI { 834} (( segid "T22D" and resid 33 and name HG2 )) ( segid "T22D" and resid 34 and name HD% ) 3.700 1.700 1.700 peak 834 spectrum 1 weight 0.10000E+01 volume 0.41947E-03 ppm1 1.253 ppm2 7.204 CV 1 ASSI { 835} (( segid "T22D" and resid 33 and name HG2 )) (( segid "T22D" and resid 33 and name HA )) 2.700 0.900 0.900 peak 835 spectrum 1 weight 0.10000E+01 volume 0.37602E-02 ppm1 1.259 ppm2 3.744 CV 1 ASSI { 837} (( segid "T22D" and resid 33 and name HG1 )) ( segid "T22D" and resid 111 and name HD% ) 3.500 1.500 1.500 peak 837 spectrum 1 weight 0.10000E+01 volume 0.83573E-03 ppm1 0.907 ppm2 7.101 CV 1 ASSI { 838} (( segid "T22D" and resid 33 and name HG1 )) (( segid "T22D" and resid 33 and name HG2 )) 1.800 0.400 0.400 peak 838 spectrum 1 weight 0.10000E+01 volume 0.14133E-01 ppm1 0.902 ppm2 1.263 CV 1 ASSI { 839} (( segid "T22D" and resid 33 and name HG2 )) ( segid "T22D" and resid 33 and name HE% ) 3.400 1.400 1.400 peak 839 spectrum 1 weight 0.10000E+01 volume 0.86776E-03 ppm1 1.261 ppm2 1.489 CV 1 ASSI { 840} (( segid "T22D" and resid 33 and name HG1 )) ( segid "T22D" and resid 33 and name HE% ) 3.600 1.600 1.600 peak 840 spectrum 1 weight 0.10000E+01 volume 0.91438E-03 ppm1 0.910 ppm2 1.492 CV 1 ASSI { 841} (( segid "T22D" and resid 33 and name HG1 )) (( segid "T22D" and resid 33 and name HB2 )) 2.500 0.800 0.800 peak 841 spectrum 1 weight 0.10000E+01 volume 0.32371E-02 ppm1 0.906 ppm2 1.793 CV 1 ASSI { 842} (( segid "T22D" and resid 57 and name HG1 )) (( segid "T22D" and resid 57 and name HG2 )) 2.100 0.500 0.500 peak 842 spectrum 1 weight 0.10000E+01 volume 0.55283E-02 ppm1 1.475 ppm2 0.047 CV 1 ASSI { 844} (( segid "T22D" and resid 33 and name HG2 )) ( segid "T22D" and resid 111 and name HE% ) 3.600 1.600 1.600 peak 844 spectrum 1 weight 0.10000E+01 volume 0.67544E-03 ppm1 1.281 ppm2 6.727 CV 1 ASSI { 845} (( segid "T22D" and resid 33 and name HG2 )) (( segid "T22D" and resid 111 and name HB2 )) 3.900 1.900 1.900 peak 845 spectrum 1 weight 0.10000E+01 volume 0.58261E-03 ppm1 1.255 ppm2 3.228 CV 1 ASSI { 847} (( segid "T22D" and resid 91 and name HB1 )) (( segid "T22D" and resid 58 and name HB1 )) 3.900 1.900 1.900 peak 847 spectrum 1 weight 0.10000E+01 volume 0.52790E-03 ppm1 2.383 ppm2 2.891 CV 1 ASSI { 848} (( segid "T22D" and resid 33 and name HG1 )) (( segid "T22D" and resid 111 and name HB2 )) 3.900 1.900 1.900 peak 848 spectrum 1 weight 0.10000E+01 volume 0.50062E-03 ppm1 0.893 ppm2 3.229 CV 1 ASSI { 849} (( segid "T22D" and resid 57 and name HG2 )) (( segid "T22D" and resid 57 and name HA )) 3.200 1.300 1.300 peak 849 spectrum 1 weight 0.10000E+01 volume 0.11217E-02 ppm1 0.052 ppm2 4.077 CV 1 ASSI { 854} (( segid "T22D" and resid 33 and name HG1 )) ( segid "T22D" and resid 111 and name HE% ) 3.700 3.700 2.300 peak 854 spectrum 1 weight 0.10000E+01 volume 0.10588E-02 ppm1 0.903 ppm2 6.726 CV 1 ASSI { 857} (( segid "T22D" and resid 76 and name HB1 )) (( segid "T22D" and resid 75 and name HA )) 4.900 3.000 1.100 peak 857 spectrum 1 weight 0.10000E+01 volume 0.69991E-03 ppm1 1.296 ppm2 4.175 CV 1 ASSI { 858} (( segid "T22D" and resid 76 and name HB2 )) (( segid "T22D" and resid 76 and name HB1 )) 2.300 0.700 0.700 peak 858 spectrum 1 weight 0.10000E+01 volume 0.20554E-02 ppm1 2.298 ppm2 1.331 CV 1 ASSI { 860} (( segid "T22D" and resid 76 and name HB2 )) ( segid "T22D" and resid 78 and name HE% ) 3.500 1.500 1.500 peak 860 spectrum 1 weight 0.10000E+01 volume 0.85008E-03 ppm1 2.295 ppm2 6.626 CV 1 ASSI { 863} (( segid "T22D" and resid 91 and name HB2 )) ( segid "T22D" and resid 58 and name HD% ) 3.700 1.700 1.700 peak 863 spectrum 1 weight 0.10000E+01 volume 0.78327E-03 ppm1 2.053 ppm2 7.346 CV 1 ASSI { 870} (( segid "T22D" and resid 91 and name HB1 )) (( segid "T22D" and resid 88 and name HA )) 4.000 2.000 2.000 peak 870 spectrum 1 weight 0.10000E+01 volume 0.15550E-02 ppm1 2.368 ppm2 4.339 CV 1 ASSI { 871} (( segid "T22D" and resid 91 and name HB2 )) (( segid "T22D" and resid 88 and name HA )) 2.900 1.000 1.000 peak 871 spectrum 1 weight 0.10000E+01 volume 0.16648E-02 ppm1 2.047 ppm2 4.337 CV 1 ASSI { 875} (( segid "T22D" and resid 91 and name HB1 )) ( segid "T22D" and resid 58 and name HD% ) 3.500 1.500 1.500 peak 875 spectrum 1 weight 0.10000E+01 volume 0.68815E-03 ppm1 2.357 ppm2 7.361 CV 1 ASSI { 878} (( segid "T22D" and resid 91 and name HB2 )) (( segid "T22D" and resid 58 and name HB1 )) 3.000 1.100 1.100 peak 878 spectrum 1 weight 0.10000E+01 volume 0.74207E-03 ppm1 2.051 ppm2 2.892 CV 1 ASSI { 879} (( segid "T22D" and resid 33 and name HG1 )) ( segid "T22D" and resid 34 and name HD% ) 4.400 2.400 1.600 peak 879 spectrum 1 weight 0.10000E+01 volume 0.64845E-03 ppm1 0.920 ppm2 7.198 CV 1 ASSI { 881} (( segid "T22D" and resid 91 and name HB1 )) (( segid "T22D" and resid 91 and name HD1 )) 3.300 1.400 1.400 peak 881 spectrum 1 weight 0.10000E+01 volume 0.14226E-02 ppm1 2.358 ppm2 3.420 CV 1 ASSI { 882} (( segid "T22D" and resid 91 and name HB1 )) (( segid "T22D" and resid 91 and name HB2 )) 2.100 0.500 0.500 peak 882 spectrum 1 weight 0.10000E+01 volume 0.44529E-02 ppm1 2.358 ppm2 2.058 CV 1 ASSI { 883} (( segid "T22D" and resid 91 and name HB1 )) (( segid "T22D" and resid 91 and name HG1 )) 2.900 1.100 1.100 peak 883 spectrum 1 weight 0.10000E+01 volume 0.19380E-02 ppm1 2.355 ppm2 1.712 CV 1 ASSI { 884} (( segid "T22D" and resid 91 and name HB2 )) (( segid "T22D" and resid 91 and name HG1 )) 2.500 0.800 0.800 peak 884 spectrum 1 weight 0.10000E+01 volume 0.30095E-02 ppm1 2.061 ppm2 1.714 CV 1 ASSI { 888} (( segid "T22D" and resid 104 and name HB2 )) (( segid "T22D" and resid 104 and name HE2 )) 2.800 1.000 1.000 peak 888 spectrum 1 weight 0.10000E+01 volume 0.27420E-02 ppm1 1.629 ppm2 2.875 CV 1 OR { 888} (( segid "T22D" and resid 104 and name HB2 )) (( segid "T22D" and resid 104 and name HE1 )) OR { 888} (( segid "T22D" and resid 104 and name HB1 )) (( segid "T22D" and resid 104 and name HE2 )) OR { 888} (( segid "T22D" and resid 104 and name HB1 )) (( segid "T22D" and resid 104 and name HE1 )) ASSI { 891} (( segid "T22D" and resid 83 and name HB1 )) (( segid "T22D" and resid 82 and name HA )) 5.100 3.200 0.900 peak 891 spectrum 1 weight 0.10000E+01 volume 0.54007E-03 ppm1 2.572 ppm2 5.244 CV 1 ASSI { 894} (( segid "T22D" and resid 116 and name HB2 )) (( segid "T22D" and resid 116 and name HA )) 2.600 0.900 0.900 peak 894 spectrum 1 weight 0.10000E+01 volume 0.68353E-02 ppm1 1.868 ppm2 4.403 CV 1 ASSI { 895} (( segid "T22D" and resid 104 and name HB2 )) (( segid "T22D" and resid 104 and name HA )) 2.500 0.800 0.800 peak 895 spectrum 1 weight 0.10000E+01 volume 0.39617E-02 ppm1 1.630 ppm2 4.138 CV 1 OR { 895} (( segid "T22D" and resid 104 and name HB1 )) (( segid "T22D" and resid 104 and name HA )) ASSI { 898} (( segid "T22D" and resid 116 and name HB1 )) (( segid "T22D" and resid 116 and name HD2 )) 3.800 1.800 1.800 peak 898 spectrum 1 weight 0.10000E+01 volume 0.14707E-02 ppm1 2.295 ppm2 3.615 CV 1 ASSI { 900} (( segid "T22D" and resid 27 and name HG2 )) (( segid "T22D" and resid 27 and name HB1 )) 2.600 0.800 0.800 peak 900 spectrum 1 weight 0.10000E+01 volume 0.53273E-02 ppm1 2.564 ppm2 1.995 CV 1 OR { 900} (( segid "T22D" and resid 27 and name HG1 )) (( segid "T22D" and resid 27 and name HB1 )) ASSI { 903} (( segid "T22D" and resid 116 and name HB1 )) (( segid "T22D" and resid 116 and name HA )) 2.100 0.500 0.500 peak 903 spectrum 1 weight 0.10000E+01 volume 0.12667E-01 ppm1 2.296 ppm2 4.403 CV 1 ASSI { 905} (( segid "T22D" and resid 116 and name HB1 )) (( segid "T22D" and resid 116 and name HD1 )) 3.300 1.300 1.300 peak 905 spectrum 1 weight 0.10000E+01 volume 0.16296E-02 ppm1 2.296 ppm2 3.798 CV 1 ASSI { 906} (( segid "T22D" and resid 116 and name HB1 )) (( segid "T22D" and resid 116 and name HB2 )) 1.600 0.300 0.600 peak 906 spectrum 1 weight 0.10000E+01 volume 0.24547E-01 ppm1 2.295 ppm2 1.870 CV 1 ASSI { 912} (( segid "T22D" and resid 94 and name HB2 )) (( segid "T22D" and resid 94 and name HA )) 2.200 0.600 0.600 peak 912 spectrum 1 weight 0.10000E+01 volume 0.98807E-02 ppm1 1.896 ppm2 3.880 CV 1 ASSI { 913} (( segid "T22D" and resid 116 and name HB2 )) (( segid "T22D" and resid 116 and name HD1 )) 3.600 1.600 1.600 peak 913 spectrum 1 weight 0.10000E+01 volume 0.24478E-02 ppm1 1.853 ppm2 3.796 CV 1 ASSI { 915} (( segid "T22D" and resid 39 and name HB )) ( segid "T22D" and resid 107 and name HG2%) 4.800 2.900 1.200 peak 915 spectrum 1 weight 0.10000E+01 volume 0.61213E-03 ppm1 1.456 ppm2 1.034 CV 1 OR { 915} (( segid "T22D" and resid 39 and name HB )) ( segid "T22D" and resid 107 and name HG1%) ASSI { 917} (( segid "T22D" and resid 39 and name HB )) ( segid "T22D" and resid 51 and name HD1%) 3.600 1.600 1.600 peak 917 spectrum 1 weight 0.10000E+01 volume 0.14126E-02 ppm1 1.450 ppm2 0.546 CV 1 ASSI { 918} (( segid "T22D" and resid 39 and name HB )) ( segid "T22D" and resid 81 and name HG2%) 3.900 1.900 1.900 peak 918 spectrum 1 weight 0.10000E+01 volume 0.80488E-03 ppm1 1.449 ppm2 0.268 CV 1 ASSI { 919} (( segid "T22D" and resid 83 and name HG1 )) (( segid "T22D" and resid 83 and name HA )) 3.500 1.600 1.600 peak 919 spectrum 1 weight 0.10000E+01 volume 0.10620E-02 ppm1 2.244 ppm2 5.094 CV 1 ASSI { 921} (( segid "T22D" and resid 115 and name HB2 )) (( segid "T22D" and resid 116 and name HD1 )) 4.800 2.900 1.200 peak 921 spectrum 1 weight 0.10000E+01 volume 0.86418E-03 ppm1 1.684 ppm2 3.798 CV 1 ASSI { 923} (( segid "T22D" and resid 115 and name HB1 )) (( segid "T22D" and resid 116 and name HD2 )) 2.300 0.700 0.700 peak 923 spectrum 1 weight 0.10000E+01 volume 0.43974E-02 ppm1 1.828 ppm2 3.614 CV 1 ASSI { 924} (( segid "T22D" and resid 115 and name HB1 )) (( segid "T22D" and resid 115 and name HA )) 2.300 0.700 0.700 peak 924 spectrum 1 weight 0.10000E+01 volume 0.57790E-02 ppm1 1.811 ppm2 4.544 CV 1 ASSI { 925} (( segid "T22D" and resid 83 and name HG2 )) (( segid "T22D" and resid 83 and name HG1 )) 2.200 0.600 0.600 peak 925 spectrum 1 weight 0.10000E+01 volume 0.26342E-02 ppm1 2.567 ppm2 2.260 CV 1 OR { 925} (( segid "T22D" and resid 83 and name HB1 )) (( segid "T22D" and resid 83 and name HG1 )) ASSI { 926} (( segid "T22D" and resid 115 and name HB2 )) (( segid "T22D" and resid 115 and name HE2 )) 3.600 1.600 1.600 peak 926 spectrum 1 weight 0.10000E+01 volume 0.17703E-02 ppm1 1.737 ppm2 2.994 CV 1 OR { 926} (( segid "T22D" and resid 115 and name HB1 )) (( segid "T22D" and resid 115 and name HE2 )) OR { 926} (( segid "T22D" and resid 115 and name HB2 )) (( segid "T22D" and resid 115 and name HE1 )) OR { 926} (( segid "T22D" and resid 115 and name HB1 )) (( segid "T22D" and resid 115 and name HE1 )) ASSI { 931} (( segid "T22D" and resid 98 and name HB1 )) (( segid "T22D" and resid 98 and name HB2 )) 2.100 0.600 0.600 peak 931 spectrum 1 weight 0.10000E+01 volume 0.40208E-02 ppm1 2.125 ppm2 1.574 CV 1 ASSI { 935} (( segid "T22D" and resid 98 and name HB2 )) ( segid "T22D" and resid 54 and name HE% ) 3.400 1.500 1.500 peak 935 spectrum 1 weight 0.10000E+01 volume 0.60200E-03 ppm1 1.586 ppm2 6.462 CV 1 ASSI { 944} (( segid "T22D" and resid 83 and name HG1 )) ( segid "T22D" and resid 89 and name HB% ) 3.100 1.200 1.200 peak 944 spectrum 1 weight 0.10000E+01 volume 0.13562E-02 ppm1 2.253 ppm2 1.586 CV 1 ASSI { 946} (( segid "T22D" and resid 27 and name HB1 )) (( segid "T22D" and resid 27 and name HA )) 2.600 0.800 0.800 peak 946 spectrum 1 weight 0.10000E+01 volume 0.55688E-02 ppm1 2.044 ppm2 4.435 CV 1 OR { 946} (( segid "T22D" and resid 27 and name HB2 )) (( segid "T22D" and resid 27 and name HA )) ASSI { 948} (( segid "T22D" and resid 49 and name HB1 )) (( segid "T22D" and resid 47 and name HB1 )) 3.900 1.900 1.900 peak 948 spectrum 1 weight 0.10000E+01 volume 0.15096E-02 ppm1 1.813 ppm2 3.979 CV 1 ASSI { 950} (( segid "T22D" and resid 33 and name HB1 )) (( segid "T22D" and resid 33 and name HA )) 2.700 0.900 0.900 peak 950 spectrum 1 weight 0.10000E+01 volume 0.44474E-02 ppm1 1.276 ppm2 3.743 CV 1 ASSI { 953} (( segid "T22D" and resid 33 and name HB1 )) (( segid "T22D" and resid 33 and name HG1 )) 2.700 0.900 0.900 peak 953 spectrum 1 weight 0.10000E+01 volume 0.67427E-02 ppm1 1.277 ppm2 0.898 CV 1 ASSI { 954} (( segid "T22D" and resid 49 and name HB1 )) (( segid "T22D" and resid 49 and name HA )) 2.600 0.900 0.900 peak 954 spectrum 1 weight 0.10000E+01 volume 0.44958E-02 ppm1 1.809 ppm2 4.153 CV 1 ASSI { 955} (( segid "T22D" and resid 33 and name HB1 )) (( segid "T22D" and resid 33 and name HB2 )) 1.800 0.400 0.400 peak 955 spectrum 1 weight 0.10000E+01 volume 0.12309E-01 ppm1 1.281 ppm2 1.791 CV 1 ASSI { 956} (( segid "T22D" and resid 33 and name HB2 )) (( segid "T22D" and resid 33 and name HA )) 2.400 0.700 0.700 peak 956 spectrum 1 weight 0.10000E+01 volume 0.69070E-02 ppm1 1.800 ppm2 3.743 CV 1 ASSI { 957} (( segid "T22D" and resid 49 and name HB2 )) (( segid "T22D" and resid 49 and name HA )) 2.400 0.700 0.700 peak 957 spectrum 1 weight 0.10000E+01 volume 0.69996E-02 ppm1 1.906 ppm2 4.153 CV 1 ASSI { 958} (( segid "T22D" and resid 33 and name HB1 )) (( segid "T22D" and resid 111 and name HB1 )) 4.100 2.100 1.900 peak 958 spectrum 1 weight 0.10000E+01 volume 0.58928E-03 ppm1 1.269 ppm2 2.925 CV 1 ASSI { 960} (( segid "T22D" and resid 33 and name HB1 )) ( segid "T22D" and resid 33 and name HE% ) 3.300 1.400 1.400 peak 960 spectrum 1 weight 0.10000E+01 volume 0.12611E-02 ppm1 1.285 ppm2 1.491 CV 1 ASSI { 961} (( segid "T22D" and resid 33 and name HB1 )) ( segid "T22D" and resid 111 and name HE% ) 4.300 2.300 1.700 peak 961 spectrum 1 weight 0.10000E+01 volume 0.43778E-03 ppm1 1.319 ppm2 6.723 CV 1 ASSI { 962} (( segid "T22D" and resid 84 and name HB2 )) (( segid "T22D" and resid 60 and name HB1 )) 2.900 1.100 1.100 peak 962 spectrum 1 weight 0.10000E+01 volume 0.25783E-02 ppm1 1.907 ppm2 2.542 CV 1 ASSI { 963} (( segid "T22D" and resid 84 and name HB2 )) (( segid "T22D" and resid 84 and name HE2 )) 2.900 1.000 1.000 peak 963 spectrum 1 weight 0.10000E+01 volume 0.15666E-02 ppm1 1.894 ppm2 2.978 CV 1 ASSI { 967} (( segid "T22D" and resid 84 and name HB1 )) (( segid "T22D" and resid 60 and name HB1 )) 3.200 1.300 1.300 peak 967 spectrum 1 weight 0.10000E+01 volume 0.35592E-02 ppm1 1.725 ppm2 2.540 CV 1 ASSI { 968} (( segid "T22D" and resid 96 and name HB1 )) (( segid "T22D" and resid 96 and name HA )) 2.400 0.700 0.700 peak 968 spectrum 1 weight 0.10000E+01 volume 0.50663E-02 ppm1 2.506 ppm2 4.704 CV 1 ASSI { 971} (( segid "T22D" and resid 96 and name HB2 )) (( segid "T22D" and resid 96 and name HB1 )) 1.800 0.400 0.400 peak 971 spectrum 1 weight 0.10000E+01 volume 0.11604E-01 ppm1 2.152 ppm2 2.504 CV 1 ASSI { 972} (( segid "T22D" and resid 96 and name HB2 )) (( segid "T22D" and resid 96 and name HA )) 2.700 0.900 0.900 peak 972 spectrum 1 weight 0.10000E+01 volume 0.47673E-02 ppm1 2.147 ppm2 4.703 CV 1 ASSI { 974} (( segid "T22D" and resid 84 and name HB2 )) (( segid "T22D" and resid 60 and name HB2 )) 3.000 1.100 1.100 peak 974 spectrum 1 weight 0.10000E+01 volume 0.18276E-02 ppm1 1.902 ppm2 2.601 CV 1 ASSI { 975} (( segid "T22D" and resid 96 and name HB2 )) (( segid "T22D" and resid 96 and name HD1 )) 3.900 1.900 1.900 peak 975 spectrum 1 weight 0.10000E+01 volume 0.15270E-02 ppm1 2.143 ppm2 4.008 CV 1 ASSI { 976} (( segid "T22D" and resid 84 and name HB1 )) (( segid "T22D" and resid 60 and name HB2 )) 2.500 0.800 0.800 peak 976 spectrum 1 weight 0.10000E+01 volume 0.27920E-02 ppm1 1.726 ppm2 2.600 CV 1 ASSI { 980} (( segid "T22D" and resid 74 and name HB1 )) (( segid "T22D" and resid 74 and name HA )) 2.300 0.700 0.700 peak 980 spectrum 1 weight 0.10000E+01 volume 0.52077E-02 ppm1 1.592 ppm2 4.363 CV 1 ASSI { 984} (( segid "T22D" and resid 63 and name HB1 )) (( segid "T22D" and resid 63 and name HG2 )) 2.700 0.900 0.900 peak 984 spectrum 1 weight 0.10000E+01 volume 0.23159E-02 ppm1 1.985 ppm2 2.359 CV 1 ASSI { 985} (( segid "T22D" and resid 74 and name HB2 )) (( segid "T22D" and resid 74 and name HB1 )) 1.600 0.300 0.600 peak 985 spectrum 1 weight 0.10000E+01 volume 0.19272E-01 ppm1 1.781 ppm2 1.593 CV 1 ASSI { 988} (( segid "T22D" and resid 74 and name HB1 )) (( segid "T22D" and resid 74 and name HG2 )) 2.400 0.700 0.700 peak 988 spectrum 1 weight 0.10000E+01 volume 0.67539E-02 ppm1 1.586 ppm2 1.381 CV 1 OR { 988} (( segid "T22D" and resid 74 and name HB1 )) (( segid "T22D" and resid 74 and name HG1 )) ASSI { 991} (( segid "T22D" and resid 63 and name HB2 )) (( segid "T22D" and resid 63 and name HB1 )) 1.900 0.500 0.500 peak 991 spectrum 1 weight 0.10000E+01 volume 0.88106E-02 ppm1 2.113 ppm2 1.983 CV 1 ASSI { 993} (( segid "T22D" and resid 67 and name HB )) ( segid "T22D" and resid 78 and name HE% ) 3.700 1.700 1.700 peak 993 spectrum 1 weight 0.10000E+01 volume 0.70342E-03 ppm1 0.971 ppm2 6.622 CV 1 ASSI { 994} (( segid "T22D" and resid 67 and name HB )) ( segid "T22D" and resid 67 and name HD1%) 3.300 1.400 1.400 peak 994 spectrum 1 weight 0.10000E+01 volume 0.24888E-02 ppm1 0.972 ppm2 0.764 CV 1 ASSI { 995} (( segid "T22D" and resid 36 and name HB1 )) (( segid "T22D" and resid 36 and name HA )) 3.300 1.400 1.400 peak 995 spectrum 1 weight 0.10000E+01 volume 0.12263E-02 ppm1 1.774 ppm2 4.957 CV 1 ASSI { 996} (( segid "T22D" and resid 67 and name HB )) (( segid "T22D" and resid 67 and name HA )) 3.100 1.200 1.200 peak 996 spectrum 1 weight 0.10000E+01 volume 0.12942E-02 ppm1 0.980 ppm2 4.105 CV 1 ASSI { 997} (( segid "T22D" and resid 67 and name HB )) (( segid "3T5T" and resid 6 and name H5' )) 4.600 2.600 1.400 peak 997 spectrum 1 weight 0.10000E+01 volume 0.46297E-03 ppm1 0.981 ppm2 4.432 CV 1 ASSI { 998} (( segid "T22D" and resid 67 and name HB )) ( segid "T22D" and resid 80 and name HD% ) 4.900 3.000 1.100 peak 998 spectrum 1 weight 0.10000E+01 volume 0.48478E-03 ppm1 0.978 ppm2 6.601 CV 1 ASSI { 1000} (( segid "T22D" and resid 63 and name HB2 )) (( segid "T22D" and resid 63 and name HG2 )) 2.600 0.800 0.800 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.54712E-02 ppm1 2.116 ppm2 2.355 CV 1 ASSI { 1001} (( segid "T22D" and resid 36 and name HB2 )) (( segid "T22D" and resid 36 and name HA )) 2.900 1.000 1.000 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.10607E-02 ppm1 2.044 ppm2 4.966 CV 1 ASSI { 1003} (( segid "T22D" and resid 67 and name HB )) (( segid "T22D" and resid 79 and name HA2 )) 4.200 2.200 1.800 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.28757E-03 ppm1 0.977 ppm2 3.951 CV 1 ASSI { 1005} (( segid "T22D" and resid 67 and name HB )) (( segid "T22D" and resid 79 and name HA1 )) 5.300 3.500 0.700 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.44028E-03 ppm1 0.978 ppm2 3.792 CV 1 ASSI { 1006} (( segid "T22D" and resid 67 and name HB )) (( segid "T22D" and resid 67 and name HG12)) 2.900 1.000 1.000 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.98561E-03 ppm1 0.973 ppm2 1.152 CV 1 ASSI { 1007} (( segid "T22D" and resid 67 and name HB )) ( segid "T22D" and resid 66 and name HG1%) 4.300 2.400 1.700 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.59704E-03 ppm1 0.971 ppm2 0.723 CV 1 ASSI { 1009} (( segid "T22D" and resid 36 and name HB1 )) (( segid "T22D" and resid 36 and name HB2 )) 2.100 0.500 0.500 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.32796E-02 ppm1 1.782 ppm2 2.050 CV 1 ASSI { 1010} (( segid "T22D" and resid 36 and name HB2 )) (( segid "T22D" and resid 36 and name HD2 )) 2.600 0.900 0.900 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.24063E-02 ppm1 2.053 ppm2 1.614 CV 1 ASSI { 1012} (( segid "T22D" and resid 36 and name HB1 )) (( segid "T22D" and resid 82 and name HA )) 4.800 2.900 1.200 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.47368E-03 ppm1 1.782 ppm2 5.252 CV 1 ASSI { 1013} (( segid "T22D" and resid 36 and name HB2 )) (( segid "T22D" and resid 82 and name HA )) 4.200 2.200 1.800 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.54120E-03 ppm1 2.054 ppm2 5.235 CV 1 ASSI { 1014} (( segid "T22D" and resid 73 and name HG2 )) (( segid "T22D" and resid 70 and name HB2 )) 2.200 2.200 3.800 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.36940E-02 ppm1 2.292 ppm2 1.868 CV 1 OR { 1014} (( segid "T22D" and resid 73 and name HG2 )) (( segid "T22D" and resid 70 and name HB1 )) OR { 1014} (( segid "T22D" and resid 73 and name HG1 )) (( segid "T22D" and resid 70 and name HB1 )) OR { 1014} (( segid "T22D" and resid 73 and name HG1 )) (( segid "T22D" and resid 70 and name HB2 )) ASSI { 1017} (( segid "T22D" and resid 121 and name HG1 )) (( segid "T22D" and resid 121 and name HB1 )) 2.100 0.500 0.500 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.20801E-01 ppm1 2.285 ppm2 2.092 CV 1 OR { 1017} (( segid "T22D" and resid 121 and name HG2 )) (( segid "T22D" and resid 121 and name HB1 )) ASSI { 1018} (( segid "T22D" and resid 73 and name HG1 )) ( segid "T22D" and resid 72 and name HG2%) 3.200 3.200 2.800 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.23148E-02 ppm1 2.292 ppm2 1.167 CV 1 ASSI { 1019} (( segid "T22D" and resid 73 and name HG2 )) ( segid "T22D" and resid 68 and name HG2%) 3.600 1.600 1.600 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.90133E-03 ppm1 2.290 ppm2 0.966 CV 1 OR { 1019} (( segid "T22D" and resid 73 and name HG1 )) ( segid "T22D" and resid 68 and name HG2%) ASSI { 1020} (( segid "T22D" and resid 73 and name HG1 )) (( segid "T22D" and resid 72 and name HA )) 2.900 1.000 1.000 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.16451E-02 ppm1 2.290 ppm2 4.371 CV 1 ASSI { 1022} (( segid "T22D" and resid 73 and name HG2 )) (( segid "T22D" and resid 73 and name HA )) 2.100 0.600 0.600 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.13255E-01 ppm1 2.290 ppm2 3.976 CV 1 OR { 1022} (( segid "T22D" and resid 73 and name HG1 )) (( segid "T22D" and resid 73 and name HA )) ASSI { 1024} (( segid "T22D" and resid 103 and name HB2 )) (( segid "T22D" and resid 103 and name HG2 )) 2.800 1.000 1.000 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.24327E-02 ppm1 1.508 ppm2 1.793 CV 1 ASSI { 1025} (( segid "T22D" and resid 103 and name HB2 )) (( segid "T22D" and resid 103 and name HB1 )) 2.300 0.700 0.700 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.25045E-02 ppm1 1.505 ppm2 1.668 CV 1 ASSI { 1028} (( segid "T22D" and resid 103 and name HB2 )) (( segid "T22D" and resid 103 and name HD1 )) 3.100 1.200 1.200 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.10078E-02 ppm1 1.507 ppm2 2.726 CV 1 ASSI { 1031} (( segid "T22D" and resid 107 and name HB )) ( segid "T22D" and resid 107 and name HG2%) 2.500 0.800 0.800 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.40443E-02 ppm1 2.011 ppm2 1.011 CV 1 ASSI { 1032} (( segid "T22D" and resid 107 and name HB )) (( segid "T22D" and resid 106 and name HA )) 4.900 3.000 1.100 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.53757E-03 ppm1 2.011 ppm2 5.435 CV 1 ASSI { 1033} (( segid "T22D" and resid 107 and name HB )) (( segid "T22D" and resid 93 and name HA )) 3.800 1.800 1.800 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.47027E-03 ppm1 1.996 ppm2 4.253 CV 1 ASSI { 1034} (( segid "T22D" and resid 107 and name HB )) (( segid "T22D" and resid 98 and name HD1 )) 3.400 1.400 1.400 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.85342E-03 ppm1 2.011 ppm2 3.595 CV 1 ASSI { 1036} (( segid "T22D" and resid 107 and name HB )) (( segid "T22D" and resid 96 and name HA )) 2.600 0.800 0.800 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.37314E-02 ppm1 2.004 ppm2 4.705 CV 1 ASSI { 1037} (( segid "T22D" and resid 81 and name HB )) ( segid "T22D" and resid 39 and name HG2%) 3.300 1.400 1.400 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.92043E-03 ppm1 1.088 ppm2 0.600 CV 1 ASSI { 1038} (( segid "T22D" and resid 103 and name HB2 )) (( segid "T22D" and resid 103 and name HD2 )) 3.200 1.300 1.300 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.13070E-02 ppm1 1.496 ppm2 2.892 CV 1 ASSI { 1040} (( segid "T22D" and resid 107 and name HB )) ( segid "T22D" and resid 37 and name HG2%) 4.000 2.000 2.000 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.17025E-02 ppm1 2.014 ppm2 0.679 CV 1 OR { 1040} (( segid "T22D" and resid 107 and name HB )) ( segid "T22D" and resid 37 and name HD1%) ASSI { 1041} (( segid "T22D" and resid 107 and name HB )) ( segid "T22D" and resid 107 and name HG1%) 2.300 0.600 0.600 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.63536E-02 ppm1 2.010 ppm2 1.046 CV 1 ASSI { 1043} (( segid "T22D" and resid 103 and name HB1 )) (( segid "T22D" and resid 103 and name HD2 )) 3.700 1.700 1.700 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.10483E-02 ppm1 1.664 ppm2 2.886 CV 1 ASSI { 1044} (( segid "T22D" and resid 81 and name HB )) (( segid "T22D" and resid 80 and name HA )) 4.300 2.300 1.700 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.68023E-03 ppm1 1.099 ppm2 5.586 CV 1 ASSI { 1045} (( segid "T22D" and resid 81 and name HB )) (( segid "T22D" and resid 37 and name HB )) 2.600 0.900 0.900 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.23494E-02 ppm1 1.089 ppm2 1.891 CV 1 ASSI { 1048} (( segid "T22D" and resid 107 and name HB )) (( segid "T22D" and resid 98 and name HD2 )) 4.300 2.300 1.700 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.64725E-03 ppm1 1.993 ppm2 3.168 CV 1 ASSI { 1050} (( segid "T22D" and resid 107 and name HB )) (( segid "T22D" and resid 107 and name HA )) 3.000 1.100 1.100 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.17913E-02 ppm1 2.016 ppm2 5.168 CV 1 ASSI { 1051} (( segid "T22D" and resid 62 and name HG1 )) (( segid "T22D" and resid 62 and name HA )) 2.400 0.700 0.700 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.73469E-02 ppm1 2.102 ppm2 4.401 CV 1 OR { 1051} (( segid "T22D" and resid 62 and name HG2 )) (( segid "T22D" and resid 62 and name HA )) ASSI { 1052} (( segid "T22D" and resid 62 and name HG2 )) (( segid "T22D" and resid 84 and name HA )) 2.700 0.900 0.900 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.62135E-02 ppm1 2.103 ppm2 4.097 CV 1 OR { 1052} (( segid "T22D" and resid 62 and name HG1 )) (( segid "T22D" and resid 84 and name HA )) ASSI { 1053} (( segid "T22D" and resid 62 and name HG1 )) ( segid "T22D" and resid 61 and name HG2%) 4.600 2.700 1.400 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.65187E-03 ppm1 2.104 ppm2 0.596 CV 1 OR { 1053} (( segid "T22D" and resid 62 and name HG2 )) ( segid "T22D" and resid 61 and name HG2%) ASSI { 1055} (( segid "T22D" and resid 103 and name HB1 )) (( segid "T22D" and resid 43 and name HD2 )) 4.200 2.200 1.800 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.63707E-03 ppm1 1.666 ppm2 3.891 CV 1 ASSI { 1056} (( segid "T22D" and resid 62 and name HG2 )) (( segid "T22D" and resid 84 and name HG1 )) 3.400 1.400 1.400 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.14699E-02 ppm1 2.108 ppm2 1.361 CV 1 OR { 1056} (( segid "T22D" and resid 62 and name HG1 )) (( segid "T22D" and resid 84 and name HG1 )) OR { 1056} (( segid "T22D" and resid 62 and name HG2 )) (( segid "T22D" and resid 84 and name HG2 )) OR { 1056} (( segid "T22D" and resid 62 and name HG1 )) (( segid "T22D" and resid 84 and name HG2 )) ASSI { 1057} (( segid "T22D" and resid 62 and name HG2 )) (( segid "T22D" and resid 62 and name HB2 )) 2.100 0.600 0.600 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.11484E-01 ppm1 2.099 ppm2 1.815 CV 1 OR { 1057} (( segid "T22D" and resid 62 and name HG1 )) (( segid "T22D" and resid 62 and name HB2 )) ASSI { 1058} (( segid "T22D" and resid 62 and name HG2 )) (( segid "T22D" and resid 84 and name HE2 )) 3.500 1.600 1.600 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.71922E-03 ppm1 2.104 ppm2 2.968 CV 1 OR { 1058} (( segid "T22D" and resid 62 and name HG1 )) (( segid "T22D" and resid 84 and name HE2 )) ASSI { 1059} (( segid "T22D" and resid 62 and name HG1 )) (( segid "T22D" and resid 62 and name HB1 )) 2.200 0.600 0.600 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.12929E-01 ppm1 2.101 ppm2 1.703 CV 1 OR { 1059} (( segid "T22D" and resid 62 and name HG2 )) (( segid "T22D" and resid 62 and name HB1 )) ASSI { 1060} (( segid "T22D" and resid 62 and name HG1 )) (( segid "T22D" and resid 82 and name HB )) 3.900 1.900 1.900 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.17777E-02 ppm1 2.102 ppm2 3.911 CV 1 OR { 1060} (( segid "T22D" and resid 62 and name HG2 )) (( segid "T22D" and resid 82 and name HB )) ASSI { 1061} (( segid "T22D" and resid 107 and name HB )) (( segid "T22D" and resid 96 and name HB1 )) 3.600 1.600 1.600 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.58499E-03 ppm1 2.013 ppm2 2.506 CV 1 ASSI { 1063} (( segid "T22D" and resid 99 and name HB )) (( segid "T22D" and resid 99 and name HA )) 2.900 1.100 1.100 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.21722E-02 ppm1 1.802 ppm2 4.153 CV 1 ASSI { 1064} (( segid "T22D" and resid 99 and name HB )) (( segid "T22D" and resid 99 and name HG11)) 2.500 0.800 0.800 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.48440E-02 ppm1 1.803 ppm2 1.459 CV 1 ASSI { 1066} (( segid "T22D" and resid 99 and name HB )) (( segid "T22D" and resid 100 and name HA )) 3.700 1.700 1.700 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.67281E-03 ppm1 1.799 ppm2 3.742 CV 1 ASSI { 1074} (( segid "T22D" and resid 56 and name HG1 )) (( segid "T22D" and resid 56 and name HB1 )) 3.000 1.100 1.100 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.27021E-02 ppm1 2.421 ppm2 2.063 CV 1 ASSI { 1075} (( segid "T22D" and resid 56 and name HG2 )) (( segid "T22D" and resid 53 and name HA )) 2.800 1.000 1.000 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.16265E-02 ppm1 2.629 ppm2 4.073 CV 1 ASSI { 1076} (( segid "T22D" and resid 56 and name HG1 )) (( segid "T22D" and resid 53 and name HA )) 3.700 1.700 1.700 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.15708E-02 ppm1 2.428 ppm2 4.069 CV 1 ASSI { 1079} (( segid "T22D" and resid 56 and name HG2 )) (( segid "T22D" and resid 56 and name HG1 )) 1.800 0.400 0.400 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.11723E-01 ppm1 2.627 ppm2 2.426 CV 1 ASSI { 1081} (( segid "T22D" and resid 56 and name HG1 )) (( segid "T22D" and resid 56 and name HA )) 3.400 1.400 1.400 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.15976E-02 ppm1 2.430 ppm2 4.403 CV 1 ASSI { 1082} (( segid "T22D" and resid 56 and name HG2 )) (( segid "T22D" and resid 56 and name HA )) 3.500 1.500 1.500 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.17033E-02 ppm1 2.638 ppm2 4.405 CV 1 ASSI { 1083} (( segid "T22D" and resid 65 and name HB )) ( segid "T22D" and resid 66 and name HG1%) 4.500 2.500 1.500 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.68974E-03 ppm1 1.923 ppm2 0.714 CV 1 ASSI { 1084} (( segid "T22D" and resid 65 and name HB )) ( segid "T22D" and resid 51 and name HD1%) 4.300 2.300 1.700 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.53223E-03 ppm1 1.934 ppm2 0.532 CV 1 ASSI { 1085} (( segid "T22D" and resid 65 and name HB )) ( segid "T22D" and resid 65 and name HG1%) 2.000 0.500 0.500 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.21037E-01 ppm1 1.929 ppm2 0.938 CV 1 ASSI { 1086} (( segid "T22D" and resid 65 and name HB )) (( segid "T22D" and resid 65 and name HA )) 2.400 0.700 0.700 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.58824E-02 ppm1 1.935 ppm2 4.747 CV 1 ASSI { 1087} (( segid "T22D" and resid 65 and name HB )) ( segid "T22D" and resid 67 and name HD1%) 3.500 1.600 1.600 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.10113E-02 ppm1 1.924 ppm2 0.764 CV 1 ASSI { 1090} (( segid "T22D" and resid 90 and name HG1 )) (( segid "T22D" and resid 91 and name HA )) 3.600 3.600 2.400 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.15228E-02 ppm1 2.286 ppm2 3.976 CV 1 ASSI { 1093} (( segid "T22D" and resid 44 and name HB2 )) (( segid "T22D" and resid 75 and name HB1 )) 4.900 3.000 1.100 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.52969E-03 ppm1 2.849 ppm2 4.017 CV 1 ASSI { 1094} (( segid "T22D" and resid 90 and name HG1 )) (( segid "T22D" and resid 90 and name HB1 )) 2.400 0.700 0.700 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.11794E-01 ppm1 2.254 ppm2 2.095 CV 1 ASSI { 1095} (( segid "T22D" and resid 90 and name HG2 )) (( segid "T22D" and resid 90 and name HA )) 2.600 0.800 0.800 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.40941E-02 ppm1 2.566 ppm2 4.054 CV 1 ASSI { 1096} (( segid "T22D" and resid 90 and name HG2 )) (( segid "T22D" and resid 87 and name HA )) 3.800 1.900 1.900 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.16775E-02 ppm1 2.563 ppm2 4.239 CV 1 ASSI { 1097} (( segid "T22D" and resid 90 and name HG1 )) (( segid "T22D" and resid 87 and name HA )) 3.800 1.800 1.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.18101E-02 ppm1 2.240 ppm2 4.239 CV 1 ASSI { 1098} (( segid "T22D" and resid 90 and name HG2 )) (( segid "T22D" and resid 90 and name HB1 )) 2.500 0.800 0.800 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.50984E-02 ppm1 2.554 ppm2 2.094 CV 1 ASSI { 1102} (( segid "T22D" and resid 90 and name HG2 )) (( segid "T22D" and resid 90 and name HG1 )) 1.700 0.300 0.500 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.24244E-01 ppm1 2.557 ppm2 2.240 CV 1 ASSI { 1103} (( segid "T22D" and resid 65 and name HB )) (( segid "T22D" and resid 64 and name HA )) 4.700 2.800 1.300 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.58211E-03 ppm1 1.960 ppm2 5.250 CV 1 ASSI { 1105} (( segid "T22D" and resid 90 and name HG1 )) (( segid "T22D" and resid 90 and name HA )) 2.500 0.800 0.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.60859E-02 ppm1 2.254 ppm2 4.051 CV 1 ASSI { 1106} (( segid "T22D" and resid 44 and name HB1 )) (( segid "T22D" and resid 44 and name HB2 )) 2.200 0.600 0.600 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.41633E-02 ppm1 3.257 ppm2 2.825 CV 1 ASSI { 1107} (( segid "T22D" and resid 111 and name HB2 )) (( segid "T22D" and resid 111 and name HA )) 2.300 0.600 0.600 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.66851E-02 ppm1 3.223 ppm2 4.436 CV 1 ASSI { 1108} (( segid "T22D" and resid 111 and name HB1 )) ( segid "T22D" and resid 111 and name HD% ) 2.600 0.900 0.900 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.41357E-02 ppm1 2.938 ppm2 7.097 CV 1 ASSI { 1109} (( segid "T22D" and resid 111 and name HB1 )) (( segid "T22D" and resid 33 and name HG1 )) 3.700 1.700 1.700 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.87156E-03 ppm1 2.939 ppm2 1.274 CV 1 OR { 1109} (( segid "T22D" and resid 111 and name HB1 )) (( segid "T22D" and resid 33 and name HG2 )) OR { 1109} (( segid "T22D" and resid 111 and name HB1 )) (( segid "T22D" and resid 33 and name HB1 )) OR { 1109} (( segid "T22D" and resid 111 and name HB1 )) (( segid "T22D" and resid 33 and name HB2 )) OR { 1109} (( segid "T22D" and resid 111 and name HB1 )) ( segid "T22D" and resid 33 and name HE% ) ASSI { 1111} (( segid "T22D" and resid 111 and name HB2 )) ( segid "T22D" and resid 111 and name HD% ) 2.400 0.700 0.700 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.40911E-02 ppm1 3.225 ppm2 7.096 CV 1 ASSI { 1112} (( segid "T22D" and resid 44 and name HB1 )) (( segid "T22D" and resid 44 and name HA )) 2.800 1.000 1.000 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.18703E-02 ppm1 3.262 ppm2 4.236 CV 1 ASSI { 1114} (( segid "T22D" and resid 53 and name HG2 )) (( segid "T22D" and resid 53 and name HB1 )) 2.900 1.100 1.100 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.41464E-02 ppm1 2.650 ppm2 2.061 CV 1 ASSI { 1117} (( segid "T22D" and resid 53 and name HG2 )) (( segid "T22D" and resid 50 and name HA )) 3.100 1.200 1.200 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.16544E-02 ppm1 2.658 ppm2 4.174 CV 1 ASSI { 1118} (( segid "T22D" and resid 53 and name HG2 )) (( segid "T22D" and resid 53 and name HA )) 2.700 0.900 0.900 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.40344E-02 ppm1 2.658 ppm2 4.073 CV 1 ASSI { 1119} (( segid "T22D" and resid 63 and name HG1 )) (( segid "T22D" and resid 63 and name HB2 )) 2.800 1.000 1.000 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.36298E-02 ppm1 1.987 ppm2 2.114 CV 1 ASSI { 1121} (( segid "T22D" and resid 63 and name HG1 )) ( segid "T22D" and resid 65 and name HG1%) 2.900 1.100 1.100 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.21316E-02 ppm1 2.045 ppm2 0.938 CV 1 OR { 1121} (( segid "T22D" and resid 63 and name HG1 )) ( segid "T22D" and resid 65 and name HG2%) ASSI { 1124} (( segid "T22D" and resid 111 and name HB2 )) (( segid "T22D" and resid 111 and name HB1 )) 1.900 0.500 0.500 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.76768E-02 ppm1 3.225 ppm2 2.932 CV 1 ASSI { 1127} (( segid "T22D" and resid 53 and name HG1 )) (( segid "T22D" and resid 53 and name HA )) 2.900 1.000 1.000 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.59800E-02 ppm1 2.308 ppm2 4.067 CV 1 ASSI { 1129} (( segid "T22D" and resid 53 and name HG1 )) (( segid "T22D" and resid 53 and name HG2 )) 1.800 0.400 0.400 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.15919E-01 ppm1 2.329 ppm2 2.651 CV 1 ASSI { 1130} (( segid "T22D" and resid 44 and name HB1 )) ( segid "T22D" and resid 44 and name HE% ) 4.500 2.500 1.500 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.63069E-03 ppm1 3.264 ppm2 6.017 CV 1 ASSI { 1134} (( segid "T22D" and resid 53 and name HG1 )) (( segid "T22D" and resid 50 and name HA )) 3.300 1.400 1.400 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.16856E-02 ppm1 2.315 ppm2 4.176 CV 1 ASSI { 1136} (( segid "T22D" and resid 63 and name HG2 )) (( segid "T22D" and resid 63 and name HG1 )) 1.900 0.500 0.500 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.94270E-02 ppm1 2.356 ppm2 1.994 CV 1 ASSI { 1138} (( segid "T22D" and resid 63 and name HG1 )) (( segid "T22D" and resid 63 and name HA )) 2.800 0.900 0.900 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.29938E-02 ppm1 2.003 ppm2 4.533 CV 1 ASSI { 1139} (( segid "T22D" and resid 63 and name HG1 )) (( segid "T22D" and resid 82 and name HB )) 4.500 2.500 1.500 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.63924E-03 ppm1 2.019 ppm2 3.905 CV 1 ASSI { 1141} (( segid "T22D" and resid 54 and name HB2 )) ( segid "T22D" and resid 54 and name HD% ) 3.300 1.400 1.400 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.80913E-03 ppm1 3.244 ppm2 6.343 CV 1 ASSI { 1142} (( segid "T22D" and resid 54 and name HB1 )) ( segid "T22D" and resid 54 and name HD% ) 3.400 1.500 1.500 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.65546E-03 ppm1 2.914 ppm2 6.339 CV 1 ASSI { 1143} (( segid "T22D" and resid 54 and name HB1 )) ( segid "T22D" and resid 54 and name HE% ) 4.500 2.500 1.500 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.63711E-03 ppm1 2.900 ppm2 6.451 CV 1 ASSI { 1146} (( segid "T22D" and resid 54 and name HB1 )) (( segid "T22D" and resid 54 and name HA )) 3.200 1.300 1.300 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.18711E-02 ppm1 2.904 ppm2 4.101 CV 1 ASSI { 1147} (( segid "T22D" and resid 54 and name HB2 )) ( segid "T22D" and resid 54 and name HE% ) 4.400 2.400 1.600 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.74687E-03 ppm1 3.220 ppm2 6.458 CV 1 ASSI { 1148} (( segid "T22D" and resid 54 and name HB2 )) (( segid "T22D" and resid 54 and name HA )) 2.700 0.900 0.900 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.28888E-02 ppm1 3.225 ppm2 4.101 CV 1 ASSI { 1154} (( segid "T22D" and resid 71 and name HB2 )) (( segid "T22D" and resid 71 and name HB1 )) 1.600 0.300 0.600 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.27562E-01 ppm1 2.858 ppm2 3.006 CV 1 ASSI { 1161} (( segid "T22D" and resid 34 and name HB2 )) (( segid "T22D" and resid 33 and name HB2 )) 3.700 1.700 1.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.12474E-02 ppm1 3.527 ppm2 1.813 CV 1 ASSI { 1162} (( segid "T22D" and resid 71 and name HB2 )) (( segid "T22D" and resid 71 and name HA )) 2.600 0.800 0.800 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.91655E-02 ppm1 2.858 ppm2 4.726 CV 1 ASSI { 1164} (( segid "T22D" and resid 71 and name HB1 )) (( segid "T22D" and resid 71 and name HA )) 2.400 0.700 0.700 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.68002E-02 ppm1 3.008 ppm2 4.723 CV 1 ASSI { 1166} (( segid "T22D" and resid 34 and name HB2 )) ( segid "T22D" and resid 34 and name HD% ) 2.900 1.100 1.100 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.17859E-02 ppm1 3.529 ppm2 7.224 CV 1 ASSI { 1167} (( segid "T22D" and resid 34 and name HB2 )) (( segid "T22D" and resid 34 and name HB1 )) 1.900 0.500 0.500 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.66318E-02 ppm1 3.526 ppm2 2.740 CV 1 ASSI { 1170} (( segid "T22D" and resid 34 and name HB1 )) (( segid "T22D" and resid 33 and name HB2 )) 4.600 2.700 1.400 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.10223E-02 ppm1 2.747 ppm2 1.821 CV 1 ASSI { 1171} (( segid "T22D" and resid 34 and name HB1 )) ( segid "T22D" and resid 34 and name HD% ) 2.700 0.900 0.900 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.20808E-02 ppm1 2.747 ppm2 7.226 CV 1 ASSI { 1174} (( segid "T22D" and resid 100 and name HB )) (( segid "T22D" and resid 99 and name HA )) 4.300 2.300 1.700 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.88915E-03 ppm1 1.318 ppm2 4.150 CV 1 ASSI { 1178} (( segid "T22D" and resid 100 and name HB )) (( segid "T22D" and resid 100 and name HA )) 3.000 1.100 1.100 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.19623E-02 ppm1 1.314 ppm2 3.768 CV 1 ASSI { 1179} (( segid "T22D" and resid 100 and name HB )) ( segid "T22D" and resid 42 and name HD2%) 3.100 1.200 1.200 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.11937E-02 ppm1 1.301 ppm2 0.659 CV 1 ASSI { 1182} (( segid "T22D" and resid 48 and name HB1 )) (( segid "T22D" and resid 48 and name HB2 )) 1.900 0.400 0.400 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.11149E-01 ppm1 2.989 ppm2 2.747 CV 1 ASSI { 1184} (( segid "T22D" and resid 58 and name HB1 )) (( segid "T22D" and resid 91 and name HG2 )) 4.600 2.600 1.400 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.50304E-03 ppm1 2.880 ppm2 2.087 CV 1 ASSI { 1185} (( segid "T22D" and resid 101 and name HB2 )) (( segid "T22D" and resid 101 and name HB1 )) 2.000 0.500 0.500 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.94357E-02 ppm1 3.007 ppm2 2.235 CV 1 ASSI { 1188} (( segid "T22D" and resid 101 and name HB1 )) (( segid "T22D" and resid 43 and name HG2 )) 3.500 1.500 1.500 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.65112E-03 ppm1 2.227 ppm2 1.800 CV 1 ASSI { 1189} (( segid "T22D" and resid 101 and name HB2 )) (( segid "T22D" and resid 43 and name HG2 )) 3.700 1.700 1.700 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.61388E-03 ppm1 3.012 ppm2 1.806 CV 1 ASSI { 1190} (( segid "T22D" and resid 101 and name HB2 )) (( segid "T22D" and resid 43 and name HB1 )) 4.400 2.500 1.600 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.64975E-03 ppm1 3.009 ppm2 2.051 CV 1 ASSI { 1191} (( segid "T22D" and resid 101 and name HB1 )) (( segid "T22D" and resid 43 and name HD1 )) 4.100 2.100 1.900 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.69912E-03 ppm1 2.242 ppm2 3.788 CV 1 ASSI { 1192} (( segid "T22D" and resid 101 and name HB2 )) (( segid "T22D" and resid 100 and name HA )) 4.300 2.400 1.700 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.52715E-03 ppm1 3.007 ppm2 3.759 CV 1 ASSI { 1193} (( segid "T22D" and resid 101 and name HB2 )) (( segid "T22D" and resid 43 and name HD1 )) 4.500 2.500 1.500 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.47268E-03 ppm1 3.009 ppm2 3.804 CV 1 ASSI { 1194} (( segid "T22D" and resid 101 and name HB2 )) (( segid "T22D" and resid 45 and name HD2 )) 3.000 3.000 3.000 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.53874E-03 ppm1 2.991 ppm2 7.115 CV 1 ASSI { 1195} (( segid "T22D" and resid 101 and name HB2 )) (( segid "T22D" and resid 101 and name HA )) 2.600 0.800 0.800 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.48945E-02 ppm1 3.007 ppm2 4.217 CV 1 ASSI { 1197} (( segid "T22D" and resid 58 and name HB2 )) (( segid "T22D" and resid 91 and name HG2 )) 5.000 3.200 1.000 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.54854E-03 ppm1 3.670 ppm2 2.074 CV 1 ASSI { 1199} (( segid "T22D" and resid 58 and name HB2 )) ( segid "T22D" and resid 58 and name HD% ) 3.000 1.200 1.200 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.12690E-02 ppm1 3.667 ppm2 7.371 CV 1 ASSI { 1200} (( segid "T22D" and resid 58 and name HB1 )) (( segid "T22D" and resid 58 and name HB2 )) 2.300 0.700 0.700 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.25017E-02 ppm1 2.891 ppm2 3.669 CV 1 ASSI { 1201} (( segid "T22D" and resid 55 and name HB1 )) ( segid "T22D" and resid 92 and name HB% ) 3.400 3.400 2.600 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.96684E-03 ppm1 2.884 ppm2 1.423 CV 1 ASSI { 1203} (( segid "T22D" and resid 58 and name HB1 )) ( segid "T22D" and resid 58 and name HD% ) 3.100 1.200 1.200 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.14473E-02 ppm1 2.886 ppm2 7.363 CV 1 ASSI { 1205} (( segid "T22D" and resid 55 and name HB1 )) ( segid "T22D" and resid 81 and name HG2%) 3.500 1.500 1.500 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.12145E-02 ppm1 2.873 ppm2 0.281 CV 1 ASSI { 1209} (( segid "T22D" and resid 55 and name HB1 )) (( segid "T22D" and resid 55 and name HB2 )) 2.100 0.500 0.500 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.30768E-02 ppm1 2.869 ppm2 3.255 CV 1 ASSI { 1210} (( segid "T22D" and resid 58 and name HB2 )) (( segid "T22D" and resid 91 and name HB1 )) 5.000 3.100 1.000 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.63182E-03 ppm1 3.677 ppm2 2.363 CV 1 ASSI { 1211} (( segid "T22D" and resid 55 and name HB1 )) ( segid "T22D" and resid 55 and name HD% ) 2.600 0.800 0.800 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.22562E-02 ppm1 2.867 ppm2 7.794 CV 1 ASSI { 1215} (( segid "T22D" and resid 55 and name HB2 )) ( segid "T22D" and resid 55 and name HD% ) 2.800 1.000 1.000 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.20967E-02 ppm1 3.259 ppm2 7.795 CV 1 ASSI { 1216} (( segid "T22D" and resid 55 and name HB2 )) ( segid "T22D" and resid 61 and name HD1%) 2.900 1.100 1.100 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.85796E-03 ppm1 3.258 ppm2 0.332 CV 1 ASSI { 1217} (( segid "T22D" and resid 55 and name HB1 )) ( segid "T22D" and resid 61 and name HD1%) 3.100 1.200 1.200 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.11116E-02 ppm1 2.868 ppm2 0.331 CV 1 ASSI { 1220} (( segid "T22D" and resid 55 and name HB2 )) ( segid "T22D" and resid 81 and name HG2%) 3.000 1.100 1.100 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.10800E-02 ppm1 3.260 ppm2 0.286 CV 1 ASSI { 1225} (( segid "T22D" and resid 95 and name HB2 )) (( segid "T22D" and resid 95 and name HB1 )) 2.000 0.500 0.500 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.10301E-01 ppm1 2.816 ppm2 2.484 CV 1 ASSI { 1227} (( segid "T22D" and resid 106 and name HB1 )) (( segid "T22D" and resid 106 and name HA )) 2.700 0.900 0.900 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.36135E-02 ppm1 2.823 ppm2 5.431 CV 1 OR { 1227} (( segid "T22D" and resid 106 and name HB2 )) (( segid "T22D" and resid 106 and name HA )) ASSI { 1228} (( segid "T22D" and resid 95 and name HB1 )) (( segid "T22D" and resid 96 and name HD1 )) 4.500 2.500 1.500 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.76051E-03 ppm1 2.491 ppm2 4.007 CV 1 ASSI { 1229} (( segid "T22D" and resid 95 and name HB1 )) (( segid "T22D" and resid 96 and name HD2 )) 4.400 2.500 1.600 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.99729E-03 ppm1 2.493 ppm2 4.109 CV 1 ASSI { 1231} (( segid "T22D" and resid 106 and name HB1 )) (( segid "T22D" and resid 97 and name HA )) 4.100 2.100 1.900 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.74662E-03 ppm1 2.831 ppm2 6.047 CV 1 OR { 1231} (( segid "T22D" and resid 106 and name HB2 )) (( segid "T22D" and resid 97 and name HA )) ASSI { 1235} (( segid "T22D" and resid 78 and name HB1 )) (( segid "T22D" and resid 78 and name HB2 )) 2.400 0.700 0.700 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.18900E-02 ppm1 2.382 ppm2 2.488 CV 1 ASSI { 1237} (( segid "T22D" and resid 78 and name HB1 )) (( segid "3T5T" and resid 4 and name H8 )) 4.000 2.000 2.000 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.43670E-03 ppm1 2.439 ppm2 7.844 CV 1 ASSI { 1240} (( segid "T22D" and resid 37 and name HB )) ( segid "T22D" and resid 107 and name HG1%) 3.400 1.400 1.400 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.25741E-02 ppm1 1.891 ppm2 1.086 CV 1 ASSI { 1241} (( segid "T22D" and resid 37 and name HB )) (( segid "T22D" and resid 82 and name HA )) 3.900 1.900 1.900 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.65346E-03 ppm1 1.880 ppm2 5.243 CV 1 ASSI { 1242} (( segid "T22D" and resid 37 and name HB )) (( segid "T22D" and resid 37 and name HG12)) 3.100 1.200 1.200 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.18765E-02 ppm1 1.886 ppm2 0.530 CV 1 ASSI { 1243} (( segid "T22D" and resid 78 and name HB1 )) ( segid "T22D" and resid 78 and name HD% ) 3.300 1.400 1.400 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.72735E-03 ppm1 2.481 ppm2 6.388 CV 1 OR { 1243} (( segid "T22D" and resid 78 and name HB2 )) ( segid "T22D" and resid 78 and name HD% ) ASSI { 1246} (( segid "T22D" and resid 31 and name HB2 )) (( segid "T22D" and resid 31 and name HA )) 2.400 0.700 0.700 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.72214E-02 ppm1 2.818 ppm2 4.653 CV 1 ASSI { 1247} (( segid "T22D" and resid 31 and name HB2 )) (( segid "T22D" and resid 31 and name HB1 )) 1.700 0.300 0.500 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.28946E-01 ppm1 2.819 ppm2 2.656 CV 1 ASSI { 1248} (( segid "T22D" and resid 38 and name HB1 )) ( segid "T22D" and resid 38 and name HD% ) 3.000 1.100 1.100 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.12182E-02 ppm1 2.620 ppm2 6.682 CV 1 ASSI { 1249} (( segid "T22D" and resid 37 and name HB )) ( segid "T22D" and resid 81 and name HG2%) 4.200 2.200 1.800 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.98327E-03 ppm1 1.893 ppm2 0.269 CV 1 ASSI { 1250} (( segid "T22D" and resid 37 and name HB )) (( segid "T22D" and resid 37 and name HG11)) 2.600 0.900 0.900 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.22886E-02 ppm1 1.882 ppm2 1.715 CV 1 ASSI { 1251} (( segid "T22D" and resid 37 and name HB )) (( segid "T22D" and resid 36 and name HA )) 4.100 2.100 1.900 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.13907E-02 ppm1 1.877 ppm2 4.957 CV 1 ASSI { 1252} (( segid "T22D" and resid 38 and name HB2 )) (( segid "T22D" and resid 38 and name HA )) 2.800 1.000 1.000 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.14115E-02 ppm1 2.801 ppm2 4.592 CV 1 ASSI { 1253} (( segid "T22D" and resid 38 and name HB1 )) (( segid "3T5T" and resid 5 and name H1' )) 5.400 3.700 0.600 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.26874E-03 ppm1 2.628 ppm2 6.581 CV 1 ASSI { 1254} (( segid "T22D" and resid 38 and name HB1 )) (( segid "T22D" and resid 38 and name HA )) 3.500 1.500 1.500 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.10915E-02 ppm1 2.648 ppm2 4.589 CV 1 ASSI { 1256} (( segid "T22D" and resid 61 and name HB )) (( segid "T22D" and resid 61 and name HG12)) 2.900 1.100 1.100 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.26890E-02 ppm1 1.475 ppm2 0.936 CV 1 ASSI { 1261} (( segid "T22D" and resid 38 and name HB2 )) ( segid "T22D" and resid 38 and name HD% ) 3.100 1.200 1.200 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.15943E-02 ppm1 2.797 ppm2 6.678 CV 1 ASSI { 1262} (( segid "T22D" and resid 38 and name HB2 )) (( segid "T22D" and resid 110 and name HA )) 2.700 0.900 0.900 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.25814E-02 ppm1 2.805 ppm2 4.129 CV 1 ASSI { 1264} (( segid "T22D" and resid 104 and name HE1 )) (( segid "T22D" and resid 104 and name HD2 )) 2.200 0.600 0.600 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.12341E-01 ppm1 2.871 ppm2 1.617 CV 1 OR { 1264} (( segid "T22D" and resid 104 and name HE2 )) (( segid "T22D" and resid 104 and name HD1 )) OR { 1264} (( segid "T22D" and resid 104 and name HE1 )) (( segid "T22D" and resid 104 and name HD1 )) OR { 1264} (( segid "T22D" and resid 104 and name HE2 )) (( segid "T22D" and resid 104 and name HD2 )) ASSI { 1265} (( segid "T22D" and resid 61 and name HB )) (( segid "T22D" and resid 61 and name HA )) 2.900 1.000 1.000 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.20155E-02 ppm1 1.476 ppm2 4.110 CV 1 ASSI { 1266} (( segid "T22D" and resid 104 and name HE1 )) ( segid "T22D" and resid 99 and name HD1%) 2.800 1.000 1.000 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.31469E-02 ppm1 2.876 ppm2 0.705 CV 1 OR { 1266} (( segid "T22D" and resid 104 and name HE2 )) ( segid "T22D" and resid 99 and name HD1%) ASSI { 1267} (( segid "T22D" and resid 61 and name HB )) (( segid "T22D" and resid 83 and name HA )) 4.200 2.200 1.800 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.11866E-02 ppm1 1.473 ppm2 5.081 CV 1 ASSI { 1269} (( segid "T22D" and resid 61 and name HB )) ( segid "T22D" and resid 81 and name HG2%) 3.700 3.700 2.300 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.25605E-02 ppm1 1.470 ppm2 0.288 CV 1 ASSI { 1270} (( segid "T22D" and resid 104 and name HE1 )) (( segid "T22D" and resid 99 and name HG12)) 2.800 2.800 3.200 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.88369E-03 ppm1 2.858 ppm2 1.167 CV 1 OR { 1270} (( segid "T22D" and resid 104 and name HE2 )) (( segid "T22D" and resid 99 and name HG12)) ASSI { 1272} (( segid "T22D" and resid 36 and name HE2 )) (( segid "T22D" and resid 36 and name HB1 )) 4.200 2.300 1.800 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.69979E-03 ppm1 2.258 ppm2 1.782 CV 1 ASSI { 1273} (( segid "T22D" and resid 38 and name HB2 )) (( segid "3T5T" and resid 5 and name H1' )) 3.800 1.800 1.800 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.65496E-03 ppm1 2.782 ppm2 6.594 CV 1 ASSI { 1274} (( segid "T22D" and resid 36 and name HE2 )) (( segid "T22D" and resid 36 and name HG2 )) 2.900 1.100 1.100 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.10902E-02 ppm1 2.240 ppm2 1.376 CV 1 ASSI { 1276} (( segid "T22D" and resid 36 and name HE2 )) (( segid "T22D" and resid 36 and name HE1 )) 1.800 0.400 0.400 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.10122E-01 ppm1 2.251 ppm2 2.773 CV 1 ASSI { 1278} (( segid "T22D" and resid 36 and name HE2 )) ( segid "T22D" and resid 80 and name HD% ) 3.300 1.300 1.300 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.86096E-03 ppm1 2.260 ppm2 6.596 CV 1 ASSI { 1281} (( segid "T22D" and resid 36 and name HE1 )) (( segid "T22D" and resid 36 and name HD2 )) 2.300 0.700 0.700 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.41425E-02 ppm1 2.779 ppm2 1.611 CV 1 ASSI { 1283} (( segid "T22D" and resid 36 and name HE1 )) (( segid "T22D" and resid 36 and name HB1 )) 4.400 2.400 1.600 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.78182E-03 ppm1 2.779 ppm2 1.785 CV 1 ASSI { 1284} (( segid "T22D" and resid 36 and name HE2 )) (( segid "T22D" and resid 36 and name HD2 )) 3.100 1.200 1.200 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.19593E-02 ppm1 2.247 ppm2 1.606 CV 1 ASSI { 1289} (( segid "T22D" and resid 109 and name HB2 )) (( segid "T22D" and resid 109 and name HB1 )) 1.700 0.400 0.500 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.71426E-02 ppm1 1.891 ppm2 1.799 CV 1 ASSI { 1292} (( segid "T22D" and resid 109 and name HB1 )) (( segid "T22D" and resid 112 and name HG )) 4.100 2.100 1.900 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.62523E-03 ppm1 1.806 ppm2 0.778 CV 1 ASSI { 1293} (( segid "T22D" and resid 109 and name HB2 )) (( segid "T22D" and resid 112 and name HG )) 2.800 1.000 1.000 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.65271E-03 ppm1 1.885 ppm2 0.779 CV 1 ASSI { 1294} (( segid "T22D" and resid 109 and name HB1 )) ( segid "T22D" and resid 112 and name HD2%) 5.000 3.100 1.000 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.56434E-03 ppm1 1.817 ppm2 0.606 CV 1 ASSI { 1295} (( segid "T22D" and resid 109 and name HB1 )) (( segid "T22D" and resid 37 and name HG12)) 3.900 1.900 1.900 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.84136E-03 ppm1 1.821 ppm2 0.549 CV 1 ASSI { 1296} (( segid "T22D" and resid 60 and name HB1 )) (( segid "T22D" and resid 84 and name HD2 )) 2.500 0.800 0.800 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.74904E-02 ppm1 2.575 ppm2 1.716 CV 1 OR { 1296} (( segid "T22D" and resid 60 and name HB2 )) (( segid "T22D" and resid 84 and name HD2 )) OR { 1296} (( segid "T22D" and resid 60 and name HB1 )) (( segid "T22D" and resid 84 and name HD1 )) OR { 1296} (( segid "T22D" and resid 60 and name HB2 )) (( segid "T22D" and resid 84 and name HD1 )) ASSI { 1297} (( segid "T22D" and resid 61 and name HB )) (( segid "T22D" and resid 52 and name HD2 )) 4.000 2.000 2.000 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.42610E-03 ppm1 1.475 ppm2 7.307 CV 1 ASSI { 1298} (( segid "T22D" and resid 109 and name HB1 )) (( segid "T22D" and resid 109 and name HA )) 2.400 0.700 0.700 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.25960E-02 ppm1 1.816 ppm2 4.476 CV 1 ASSI { 1299} (( segid "T22D" and resid 60 and name HB2 )) (( segid "T22D" and resid 84 and name HB2 )) 2.700 0.900 0.900 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.32686E-02 ppm1 2.563 ppm2 1.900 CV 1 OR { 1299} (( segid "T22D" and resid 60 and name HB1 )) (( segid "T22D" and resid 84 and name HB2 )) ASSI { 1300} (( segid "T22D" and resid 60 and name HB2 )) (( segid "T22D" and resid 84 and name HG2 )) 4.000 2.000 2.000 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.13406E-02 ppm1 2.590 ppm2 1.379 CV 1 OR { 1300} (( segid "T22D" and resid 60 and name HB1 )) (( segid "T22D" and resid 84 and name HG2 )) OR { 1300} (( segid "T22D" and resid 60 and name HB2 )) (( segid "T22D" and resid 84 and name HG1 )) OR { 1300} (( segid "T22D" and resid 60 and name HB1 )) (( segid "T22D" and resid 84 and name HG1 )) ASSI { 1301} (( segid "T22D" and resid 109 and name HB1 )) ( segid "T22D" and resid 111 and name HD% ) 2.400 0.700 0.700 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.22005E-02 ppm1 1.817 ppm2 7.097 CV 1 ASSI { 1303} (( segid "T22D" and resid 60 and name HB2 )) (( segid "T22D" and resid 60 and name HA )) 2.600 0.800 0.800 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.74520E-02 ppm1 2.615 ppm2 4.718 CV 1 ASSI { 1304} (( segid "T22D" and resid 60 and name HB1 )) (( segid "T22D" and resid 60 and name HA )) 2.400 0.700 0.700 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.58315E-02 ppm1 2.539 ppm2 4.718 CV 1 ASSI { 1306} (( segid "T22D" and resid 60 and name HB1 )) ( segid "T22D" and resid 61 and name HG2%) 4.500 2.600 1.500 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.42844E-03 ppm1 2.580 ppm2 0.609 CV 1 OR { 1306} (( segid "T22D" and resid 60 and name HB2 )) ( segid "T22D" and resid 61 and name HG2%) ASSI { 1307} (( segid "T22D" and resid 109 and name HB2 )) (( segid "T22D" and resid 109 and name HG )) 2.500 0.800 0.800 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.32381E-02 ppm1 1.879 ppm2 2.083 CV 1 OR { 1307} (( segid "T22D" and resid 109 and name HB1 )) (( segid "T22D" and resid 109 and name HG )) ASSI { 1308} (( segid "T22D" and resid 109 and name HB1 )) (( segid "T22D" and resid 109 and name HG )) 2.800 1.000 1.000 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.29234E-02 ppm1 1.832 ppm2 2.083 CV 1 ASSI { 1309} (( segid "T22D" and resid 36 and name HE2 )) ( segid "T22D" and resid 80 and name HE% ) 3.300 1.300 1.300 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.53161E-03 ppm1 2.258 ppm2 7.154 CV 1 ASSI { 1311} (( segid "T22D" and resid 36 and name HE2 )) (( segid "3T5T" and resid 6 and name H2' )) 4.500 2.500 1.500 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.34243E-03 ppm1 2.253 ppm2 2.560 CV 1 ASSI { 1312} (( segid "T22D" and resid 36 and name HE1 )) ( segid "T22D" and resid 80 and name HE% ) 4.100 2.100 1.900 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.56580E-03 ppm1 2.795 ppm2 7.138 CV 1 ASSI { 1315} (( segid "T22D" and resid 42 and name HB2 )) (( segid "T22D" and resid 42 and name HA )) 3.300 1.400 1.400 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.11397E-02 ppm1 0.949 ppm2 4.315 CV 1 ASSI { 1318} (( segid "T22D" and resid 42 and name HB2 )) (( segid "T22D" and resid 43 and name HD1 )) 4.700 2.800 1.300 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.66163E-03 ppm1 0.954 ppm2 3.788 CV 1 ASSI { 1321} (( segid "T22D" and resid 42 and name HB2 )) (( segid "T22D" and resid 42 and name HG )) 2.900 1.000 1.000 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.10825E-02 ppm1 0.958 ppm2 1.251 CV 1 ASSI { 1323} (( segid "T22D" and resid 84 and name HE2 )) (( segid "T22D" and resid 62 and name HA )) 2.500 0.800 0.800 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.50809E-02 ppm1 2.964 ppm2 4.405 CV 1 ASSI { 1324} (( segid "T22D" and resid 94 and name HE2 )) (( segid "T22D" and resid 94 and name HA )) 3.500 1.500 1.500 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.18722E-02 ppm1 2.996 ppm2 3.884 CV 1 OR { 1324} (( segid "T22D" and resid 94 and name HE1 )) (( segid "T22D" and resid 94 and name HA )) ASSI { 1325} (( segid "T22D" and resid 84 and name HE2 )) (( segid "T22D" and resid 62 and name HG2 )) 2.900 1.100 1.100 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.27474E-02 ppm1 2.972 ppm2 2.106 CV 1 OR { 1325} (( segid "T22D" and resid 84 and name HE2 )) (( segid "T22D" and resid 62 and name HG1 )) OR { 1325} (( segid "T22D" and resid 84 and name HE1 )) (( segid "T22D" and resid 62 and name HG2 )) OR { 1325} (( segid "T22D" and resid 84 and name HE1 )) (( segid "T22D" and resid 62 and name HG1 )) ASSI { 1327} (( segid "T22D" and resid 49 and name HE2 )) (( segid "T22D" and resid 49 and name HD1 )) 2.400 0.700 0.700 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.63002E-02 ppm1 2.979 ppm2 1.640 CV 1 OR { 1327} (( segid "T22D" and resid 49 and name HE1 )) (( segid "T22D" and resid 49 and name HD1 )) ASSI { 1329} (( segid "T22D" and resid 97 and name HB1 )) (( segid "T22D" and resid 97 and name HB2 )) 1.900 0.400 0.400 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.13664E-01 ppm1 2.428 ppm2 2.801 CV 1 ASSI { 1330} (( segid "T22D" and resid 42 and name HB1 )) (( segid "T22D" and resid 42 and name HA )) 2.900 1.100 1.100 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.11000E-02 ppm1 1.151 ppm2 4.314 CV 1 ASSI { 1331} (( segid "T22D" and resid 49 and name HE1 )) (( segid "T22D" and resid 49 and name HD2 )) 2.000 0.500 0.500 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.22471E-01 ppm1 2.976 ppm2 1.713 CV 1 OR { 1331} (( segid "T22D" and resid 49 and name HE2 )) (( segid "T22D" and resid 49 and name HD1 )) OR { 1331} (( segid "T22D" and resid 49 and name HE1 )) (( segid "T22D" and resid 49 and name HD1 )) OR { 1331} (( segid "T22D" and resid 49 and name HE2 )) (( segid "T22D" and resid 49 and name HD2 )) ASSI { 1332} (( segid "T22D" and resid 49 and name HE1 )) (( segid "T22D" and resid 49 and name HB2 )) 2.600 0.800 0.800 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.48540E-02 ppm1 2.989 ppm2 1.895 CV 1 OR { 1332} (( segid "T22D" and resid 49 and name HE2 )) (( segid "T22D" and resid 49 and name HB2 )) ASSI { 1333} (( segid "T22D" and resid 115 and name HE2 )) (( segid "3T5T" and resid 5 and name H2'')) 3.400 3.400 2.600 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.22824E-02 ppm1 2.982 ppm2 2.427 CV 1 OR { 1333} (( segid "T22D" and resid 115 and name HE1 )) (( segid "3T5T" and resid 5 and name H2'')) ASSI { 1334} (( segid "T22D" and resid 97 and name HB2 )) (( segid "T22D" and resid 97 and name HA )) 2.900 1.100 1.100 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.36027E-02 ppm1 2.805 ppm2 6.045 CV 1 ASSI { 1341} (( segid "T22D" and resid 97 and name HB1 )) (( segid "T22D" and resid 97 and name HA )) 2.600 0.800 0.800 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.28819E-02 ppm1 2.429 ppm2 6.045 CV 1 ASSI { 1344} (( segid "T22D" and resid 42 and name HB2 )) (( segid "T22D" and resid 77 and name HA1 )) 4.000 2.000 2.000 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.50125E-03 ppm1 0.942 ppm2 3.222 CV 1 ASSI { 1347} (( segid "T22D" and resid 112 and name HB2 )) ( segid "T22D" and resid 112 and name HD1%) 2.500 0.800 0.800 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.42268E-02 ppm1 1.376 ppm2 0.942 CV 1 ASSI { 1350} (( segid "T22D" and resid 112 and name HB2 )) (( segid "T22D" and resid 112 and name HB1 )) 1.800 0.400 0.400 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.10490E-01 ppm1 1.373 ppm2 1.502 CV 1 ASSI { 1352} (( segid "T22D" and resid 112 and name HB1 )) (( segid "T22D" and resid 112 and name HA )) 2.600 0.800 0.800 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.32668E-02 ppm1 1.501 ppm2 3.667 CV 1 ASSI { 1353} (( segid "T22D" and resid 112 and name HB2 )) (( segid "T22D" and resid 112 and name HA )) 2.800 1.000 1.000 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.40507E-02 ppm1 1.380 ppm2 3.667 CV 1 ASSI { 1357} (( segid "T22D" and resid 108 and name HB2 )) (( segid "T22D" and resid 108 and name HA )) 2.400 0.700 0.700 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.53507E-02 ppm1 2.774 ppm2 4.940 CV 1 ASSI { 1361} (( segid "T22D" and resid 51 and name HB1 )) (( segid "T22D" and resid 48 and name HA )) 3.800 1.800 1.800 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.19046E-02 ppm1 1.923 ppm2 4.054 CV 1 ASSI { 1362} (( segid "T22D" and resid 51 and name HB2 )) ( segid "T22D" and resid 81 and name HG2%) 4.200 2.200 1.800 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.67948E-03 ppm1 1.312 ppm2 0.269 CV 1 ASSI { 1363} (( segid "T22D" and resid 51 and name HB1 )) (( segid "T22D" and resid 51 and name HB2 )) 2.000 0.500 0.500 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.51889E-02 ppm1 1.924 ppm2 1.321 CV 1 ASSI { 1365} (( segid "T22D" and resid 51 and name HB2 )) ( segid "T22D" and resid 51 and name HD2%) 3.300 1.300 1.300 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.30203E-02 ppm1 1.313 ppm2 0.936 CV 1 ASSI { 1366} (( segid "T22D" and resid 51 and name HB1 )) ( segid "T22D" and resid 66 and name HG2%) 4.300 2.300 1.700 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.11781E-02 ppm1 1.930 ppm2 0.589 CV 1 ASSI { 1367} (( segid "T22D" and resid 51 and name HB2 )) ( segid "T22D" and resid 66 and name HG2%) 3.500 1.500 1.500 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.14603E-02 ppm1 1.306 ppm2 0.596 CV 1 ASSI { 1372} (( segid "T22D" and resid 51 and name HB2 )) (( segid "T22D" and resid 48 and name HA )) 3.000 1.100 1.100 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.97122E-03 ppm1 1.306 ppm2 4.054 CV 1 ASSI { 1377} (( segid "T22D" and resid 51 and name HB1 )) (( segid "T22D" and resid 51 and name HA )) 2.600 0.900 0.900 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.23892E-02 ppm1 1.930 ppm2 4.140 CV 1 ASSI { 1378} (( segid "T22D" and resid 108 and name HB1 )) (( segid "T22D" and resid 108 and name HB2 )) 1.900 0.500 0.500 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.93836E-02 ppm1 3.003 ppm2 2.784 CV 1 ASSI { 1380} (( segid "T22D" and resid 103 and name HD2 )) (( segid "T22D" and resid 103 and name HD1 )) 2.000 0.500 0.500 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.49253E-02 ppm1 2.869 ppm2 2.737 CV 1 ASSI { 1383} (( segid "T22D" and resid 69 and name HB2 )) (( segid "T22D" and resid 69 and name HB1 )) 1.800 0.400 0.400 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.13635E-01 ppm1 3.088 ppm2 2.493 CV 1 ASSI { 1385} (( segid "T22D" and resid 103 and name HD1 )) (( segid "T22D" and resid 103 and name HB1 )) 3.700 1.700 1.700 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.99912E-03 ppm1 2.744 ppm2 1.665 CV 1 ASSI { 1386} (( segid "T22D" and resid 69 and name HB2 )) ( segid "T22D" and resid 72 and name HG2%) 4.800 2.800 1.200 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.57886E-03 ppm1 3.088 ppm2 1.170 CV 1 ASSI { 1391} (( segid "T22D" and resid 103 and name HD1 )) (( segid "T22D" and resid 43 and name HD1 )) 3.900 1.900 1.900 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.40565E-03 ppm1 2.731 ppm2 3.803 CV 1 ASSI { 1392} (( segid "T22D" and resid 103 and name HD2 )) (( segid "T22D" and resid 43 and name HD1 )) 4.400 2.400 1.600 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.35380E-03 ppm1 2.914 ppm2 3.795 CV 1 ASSI { 1394} (( segid "T22D" and resid 69 and name HB1 )) (( segid "T22D" and resid 76 and name HD1 )) 5.100 3.200 0.900 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.57927E-03 ppm1 2.487 ppm2 3.379 CV 1 ASSI { 1399} (( segid "T22D" and resid 30 and name HD2 )) (( segid "T22D" and resid 31 and name HB1 )) 3.200 1.300 1.300 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.23891E-02 ppm1 3.194 ppm2 2.627 CV 1 OR { 1399} (( segid "T22D" and resid 30 and name HD1 )) (( segid "T22D" and resid 31 and name HB1 )) ASSI { 1400} (( segid "T22D" and resid 30 and name HD1 )) (( segid "T22D" and resid 30 and name HG1 )) 2.400 0.700 0.700 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.66847E-02 ppm1 3.186 ppm2 1.586 CV 1 OR { 1400} (( segid "T22D" and resid 30 and name HD2 )) (( segid "T22D" and resid 30 and name HG1 )) ASSI { 1401} (( segid "T22D" and resid 70 and name HD1 )) (( segid "T22D" and resid 70 and name HA )) 2.500 0.800 0.800 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.50767E-02 ppm1 3.201 ppm2 4.057 CV 1 OR { 1401} (( segid "T22D" and resid 70 and name HD2 )) (( segid "T22D" and resid 70 and name HA )) ASSI { 1402} (( segid "T22D" and resid 117 and name HD1 )) (( segid "T22D" and resid 117 and name HG2 )) 2.000 0.500 0.500 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.19700E-01 ppm1 3.206 ppm2 1.697 CV 1 OR { 1402} (( segid "T22D" and resid 117 and name HD2 )) (( segid "T22D" and resid 117 and name HG1 )) OR { 1402} (( segid "T22D" and resid 117 and name HD2 )) (( segid "T22D" and resid 117 and name HG2 )) OR { 1402} (( segid "T22D" and resid 117 and name HD1 )) (( segid "T22D" and resid 117 and name HG1 )) ASSI { 1405} (( segid "T22D" and resid 117 and name HD2 )) (( segid "T22D" and resid 117 and name HB2 )) 2.200 0.600 0.600 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.16832E-01 ppm1 3.200 ppm2 1.860 CV 1 OR { 1405} (( segid "T22D" and resid 117 and name HD1 )) (( segid "T22D" and resid 117 and name HB1 )) OR { 1405} (( segid "T22D" and resid 117 and name HD1 )) (( segid "T22D" and resid 117 and name HB2 )) OR { 1405} (( segid "T22D" and resid 117 and name HD2 )) (( segid "T22D" and resid 117 and name HB1 )) ASSI { 1406} (( segid "T22D" and resid 30 and name HD1 )) (( segid "T22D" and resid 30 and name HA )) 2.600 0.900 0.900 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.57644E-02 ppm1 3.188 ppm2 4.298 CV 1 OR { 1406} (( segid "T22D" and resid 30 and name HD2 )) (( segid "T22D" and resid 30 and name HA )) ASSI { 1409} (( segid "T22D" and resid 70 and name HD2 )) (( segid "T22D" and resid 73 and name HG2 )) 2.800 2.800 3.200 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.84487E-03 ppm1 3.195 ppm2 2.298 CV 1 OR { 1409} (( segid "T22D" and resid 70 and name HD1 )) (( segid "T22D" and resid 73 and name HG2 )) OR { 1409} (( segid "T22D" and resid 70 and name HD2 )) (( segid "T22D" and resid 73 and name HG1 )) OR { 1409} (( segid "T22D" and resid 70 and name HD1 )) (( segid "T22D" and resid 73 and name HG1 )) ASSI { 1410} (( segid "T22D" and resid 117 and name HD2 )) (( segid "T22D" and resid 117 and name HA )) 2.700 0.900 0.900 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.39602E-02 ppm1 3.198 ppm2 4.408 CV 1 OR { 1410} (( segid "T22D" and resid 117 and name HD1 )) (( segid "T22D" and resid 117 and name HA )) ASSI { 1411} (( segid "T22D" and resid 30 and name HD2 )) (( segid "T22D" and resid 30 and name HG2 )) 2.200 0.600 0.600 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.11870E-01 ppm1 3.191 ppm2 1.649 CV 1 OR { 1411} (( segid "T22D" and resid 30 and name HD1 )) (( segid "T22D" and resid 30 and name HG2 )) ASSI { 1412} (( segid "T22D" and resid 76 and name HD2 )) (( segid "T22D" and resid 67 and name HB )) 4.200 2.200 1.800 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.55771E-03 ppm1 3.068 ppm2 0.970 CV 1 ASSI { 1414} (( segid "T22D" and resid 76 and name HD1 )) (( segid "T22D" and resid 76 and name HG1 )) 2.600 0.800 0.800 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.30198E-02 ppm1 3.373 ppm2 1.727 CV 1 ASSI { 1415} (( segid "T22D" and resid 76 and name HD2 )) (( segid "T22D" and resid 76 and name HA )) 4.000 2.000 2.000 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.18666E-02 ppm1 3.064 ppm2 4.589 CV 1 ASSI { 1417} (( segid "T22D" and resid 76 and name HD2 )) (( segid "T22D" and resid 76 and name HB2 )) 3.700 1.700 1.700 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.12397E-02 ppm1 3.074 ppm2 2.294 CV 1 ASSI { 1421} (( segid "T22D" and resid 76 and name HD1 )) ( segid "T22D" and resid 78 and name HE% ) 3.400 1.400 1.400 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.82339E-03 ppm1 3.386 ppm2 6.629 CV 1 ASSI { 1422} (( segid "T22D" and resid 76 and name HD1 )) (( segid "T22D" and resid 76 and name HB2 )) 2.800 1.000 1.000 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.16480E-02 ppm1 3.377 ppm2 2.290 CV 1 ASSI { 1423} (( segid "T22D" and resid 76 and name HD1 )) (( segid "T22D" and resid 76 and name HD2 )) 1.700 0.400 0.500 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.12595E-01 ppm1 3.381 ppm2 3.069 CV 1 ASSI { 1426} (( segid "T22D" and resid 76 and name HD1 )) (( segid "T22D" and resid 76 and name HB1 )) 3.100 1.200 1.200 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.13970E-02 ppm1 3.375 ppm2 1.335 CV 1 ASSI { 1427} (( segid "T22D" and resid 76 and name HD2 )) (( segid "T22D" and resid 76 and name HB1 )) 3.800 1.800 1.800 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.11879E-02 ppm1 3.069 ppm2 1.335 CV 1 ASSI { 1428} (( segid "T22D" and resid 76 and name HD1 )) (( segid "T22D" and resid 76 and name HG2 )) 3.100 1.200 1.200 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.19106E-02 ppm1 3.381 ppm2 1.506 CV 1 ASSI { 1430} (( segid "T22D" and resid 76 and name HD2 )) ( segid "T22D" and resid 78 and name HE% ) 4.400 2.400 1.600 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.72710E-03 ppm1 3.093 ppm2 6.632 CV 1 ASSI { 1431} (( segid "T22D" and resid 86 and name HD1 )) (( segid "T22D" and resid 86 and name HB2 )) 2.900 1.100 1.100 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.33066E-02 ppm1 2.968 ppm2 1.916 CV 1 ASSI { 1432} (( segid "T22D" and resid 86 and name HD1 )) (( segid "T22D" and resid 86 and name HG2 )) 2.400 0.700 0.700 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.45892E-02 ppm1 2.964 ppm2 1.832 CV 1 ASSI { 1434} (( segid "T22D" and resid 86 and name HD2 )) (( segid "T22D" and resid 86 and name HG2 )) 2.600 0.900 0.900 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.50079E-02 ppm1 3.016 ppm2 1.829 CV 1 ASSI { 1435} (( segid "T22D" and resid 86 and name HD1 )) (( segid "T22D" and resid 34 and name HB2 )) 3.400 1.500 1.500 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.15455E-02 ppm1 2.963 ppm2 3.528 CV 1 OR { 1435} (( segid "T22D" and resid 86 and name HD2 )) (( segid "T22D" and resid 34 and name HB2 )) ASSI { 1436} (( segid "T22D" and resid 86 and name HD1 )) ( segid "T22D" and resid 34 and name HD% ) 3.800 1.800 1.800 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.78219E-03 ppm1 2.984 ppm2 7.222 CV 1 OR { 1436} (( segid "T22D" and resid 86 and name HD2 )) ( segid "T22D" and resid 34 and name HD% ) ASSI { 1437} (( segid "T22D" and resid 86 and name HD1 )) (( segid "T22D" and resid 86 and name HG1 )) 2.500 0.800 0.800 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.44132E-02 ppm1 2.985 ppm2 1.638 CV 1 OR { 1437} (( segid "T22D" and resid 86 and name HD2 )) (( segid "T22D" and resid 86 and name HG1 )) ASSI { 1438} (( segid "T22D" and resid 86 and name HD1 )) (( segid "T22D" and resid 86 and name HA )) 3.800 1.800 1.800 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.18878E-02 ppm1 2.983 ppm2 4.065 CV 1 OR { 1438} (( segid "T22D" and resid 86 and name HD2 )) (( segid "T22D" and resid 86 and name HA )) ASSI { 1443} (( segid "T22D" and resid 91 and name HD2 )) (( segid "T22D" and resid 91 and name HA )) 3.200 1.200 1.200 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.14738E-02 ppm1 3.597 ppm2 3.977 CV 1 ASSI { 1444} (( segid "T22D" and resid 91 and name HD1 )) (( segid "T22D" and resid 91 and name HD2 )) 1.800 0.400 0.400 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.12857E-01 ppm1 3.421 ppm2 3.596 CV 1 ASSI { 1445} (( segid "T22D" and resid 85 and name HB1 )) (( segid "T22D" and resid 85 and name HB2 )) 1.800 0.400 0.400 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.16297E-01 ppm1 2.998 ppm2 2.737 CV 1 ASSI { 1450} (( segid "T22D" and resid 91 and name HD1 )) (( segid "T22D" and resid 91 and name HG2 )) 2.600 0.800 0.800 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.27905E-02 ppm1 3.420 ppm2 2.080 CV 1 ASSI { 1453} (( segid "T22D" and resid 91 and name HD2 )) (( segid "T22D" and resid 91 and name HB1 )) 2.900 1.100 1.100 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.12902E-02 ppm1 3.598 ppm2 2.358 CV 1 ASSI { 1454} (( segid "T22D" and resid 59 and name HA1 )) (( segid "T22D" and resid 88 and name HB2 )) 3.800 1.800 1.800 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.98895E-03 ppm1 4.603 ppm2 4.053 CV 1 ASSI { 1455} (( segid "T22D" and resid 59 and name HA1 )) (( segid "T22D" and resid 59 and name HA2 )) 2.000 0.500 0.500 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.78857E-02 ppm1 4.594 ppm2 3.836 CV 1 ASSI { 1457} (( segid "T22D" and resid 91 and name HD1 )) (( segid "T22D" and resid 91 and name HG1 )) 2.700 0.900 0.900 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.32928E-02 ppm1 3.412 ppm2 1.718 CV 1 ASSI { 1458} (( segid "T22D" and resid 91 and name HD2 )) (( segid "T22D" and resid 91 and name HB2 )) 3.300 1.300 1.300 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.26759E-02 ppm1 3.602 ppm2 2.069 CV 1 ASSI { 1459} (( segid "T22D" and resid 91 and name HD1 )) (( segid "T22D" and resid 91 and name HB2 )) 3.500 1.500 1.500 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.23181E-02 ppm1 3.412 ppm2 2.056 CV 1 ASSI { 1462} (( segid "T22D" and resid 59 and name HA2 )) ( segid "T22D" and resid 83 and name HE% ) 4.600 2.600 1.400 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.63632E-03 ppm1 3.837 ppm2 1.922 CV 1 ASSI { 1464} (( segid "T22D" and resid 80 and name HB2 )) (( segid "T22D" and resid 80 and name HB1 )) 2.200 0.600 0.600 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.37762E-02 ppm1 2.775 ppm2 2.178 CV 1 ASSI { 1465} (( segid "T22D" and resid 80 and name HB1 )) ( segid "T22D" and resid 80 and name HD% ) 3.000 1.100 1.100 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.13840E-02 ppm1 2.183 ppm2 6.611 CV 1 ASSI { 1466} (( segid "T22D" and resid 80 and name HB1 )) (( segid "T22D" and resid 80 and name HA )) 3.000 1.100 1.100 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.13854E-02 ppm1 2.178 ppm2 5.587 CV 1 ASSI { 1472} (( segid "T22D" and resid 113 and name HA2 )) (( segid "3T5T" and resid 5 and name H72 )) 4.000 2.000 2.000 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.10823E-02 ppm1 3.306 ppm2 1.149 CV 1 OR { 1472} (( segid "T22D" and resid 113 and name HA2 )) (( segid "3T5T" and resid 5 and name H71 )) OR { 1472} (( segid "T22D" and resid 113 and name HA2 )) (( segid "3T5T" and resid 5 and name H73 )) ASSI { 1473} (( segid "T22D" and resid 113 and name HA2 )) (( segid "T22D" and resid 113 and name HA1 )) 2.000 0.500 0.500 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.10878E-01 ppm1 3.310 ppm2 4.154 CV 1 ASSI { 1475} (( segid "T22D" and resid 113 and name HA1 )) (( segid "3T5T" and resid 5 and name H72 )) 3.400 1.400 1.400 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.87039E-03 ppm1 4.160 ppm2 1.153 CV 1 OR { 1475} (( segid "T22D" and resid 113 and name HA1 )) (( segid "3T5T" and resid 5 and name H71 )) OR { 1475} (( segid "T22D" and resid 113 and name HA1 )) (( segid "3T5T" and resid 5 and name H73 )) ASSI { 1478} (( segid "T22D" and resid 79 and name HA1 )) (( segid "T22D" and resid 79 and name HA2 )) 2.200 0.600 0.600 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.22816E-02 ppm1 3.782 ppm2 3.935 CV 1 ASSI { 1479} (( segid "T22D" and resid 79 and name HA1 )) (( segid "T22D" and resid 66 and name HA )) 2.800 1.000 1.000 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.15892E-02 ppm1 3.781 ppm2 3.740 CV 1 ASSI { 1482} (( segid "T22D" and resid 79 and name HA1 )) (( segid "T22D" and resid 67 and name HG12)) 4.900 3.000 1.100 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.46351E-03 ppm1 3.796 ppm2 1.165 CV 1 ASSI { 1487} (( segid "T22D" and resid 79 and name HA2 )) (( segid "T22D" and resid 67 and name HG12)) 2.700 2.700 3.300 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.44975E-03 ppm1 3.955 ppm2 1.163 CV 1 ASSI { 1490} (( segid "T22D" and resid 79 and name HA1 )) ( segid "T22D" and resid 66 and name HG2%) 4.200 2.200 1.800 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.45771E-03 ppm1 3.797 ppm2 0.591 CV 1 ASSI { 1491} (( segid "T22D" and resid 79 and name HA1 )) ( segid "T22D" and resid 51 and name HD1%) 3.500 1.500 1.500 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.36431E-03 ppm1 3.787 ppm2 0.544 CV 1 ASSI { 1492} (( segid "T22D" and resid 79 and name HA1 )) ( segid "T22D" and resid 42 and name HD1%) 3.600 1.700 1.700 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.31733E-03 ppm1 3.803 ppm2 0.450 CV 1 ASSI { 1495} (( segid "T22D" and resid 102 and name HA1 )) (( segid "T22D" and resid 102 and name HA2 )) 2.000 0.500 0.500 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.86426E-02 ppm1 3.445 ppm2 4.143 CV 1 ASSI { 1503} (( segid "T22D" and resid 77 and name HA2 )) (( segid "T22D" and resid 77 and name HA1 )) 2.300 0.600 0.600 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.31325E-02 ppm1 4.257 ppm2 3.220 CV 1 ASSI { 1504} (( segid "T22D" and resid 77 and name HA2 )) ( segid "T22D" and resid 44 and name HD% ) 3.700 1.700 1.700 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.38796E-03 ppm1 4.256 ppm2 6.824 CV 1 ASSI { 1505} (( segid "T22D" and resid 77 and name HA1 )) ( segid "T22D" and resid 44 and name HD% ) 4.700 2.700 1.300 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.42685E-03 ppm1 3.242 ppm2 6.820 CV 1 ASSI { 1510} (( segid "T22D" and resid 41 and name HA1 )) (( segid "T22D" and resid 41 and name HA2 )) 2.400 0.700 0.700 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.24532E-02 ppm1 4.083 ppm2 3.986 CV 1 ASSI { 1515} (( segid "T22D" and resid 98 and name HD2 )) (( segid "T22D" and resid 98 and name HB1 )) 4.300 2.300 1.700 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.60971E-03 ppm1 3.158 ppm2 2.127 CV 1 ASSI { 1516} (( segid "T22D" and resid 98 and name HD1 )) (( segid "T22D" and resid 98 and name HB1 )) 3.500 1.500 1.500 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.95980E-03 ppm1 3.593 ppm2 2.129 CV 1 ASSI { 1518} (( segid "T22D" and resid 98 and name HD2 )) (( segid "T22D" and resid 98 and name HA )) 3.800 1.800 1.800 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.68886E-03 ppm1 3.154 ppm2 4.478 CV 1 ASSI { 1519} (( segid "T22D" and resid 98 and name HD1 )) (( segid "T22D" and resid 98 and name HD2 )) 2.200 0.600 0.600 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.35733E-02 ppm1 3.590 ppm2 3.169 CV 1 ASSI { 1522} (( segid "T22D" and resid 98 and name HD2 )) (( segid "T22D" and resid 98 and name HG2 )) 2.900 1.100 1.100 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.13835E-02 ppm1 3.175 ppm2 1.989 CV 1 OR { 1522} (( segid "T22D" and resid 98 and name HD2 )) (( segid "T22D" and resid 98 and name HG1 )) ASSI { 1524} (( segid "T22D" and resid 98 and name HD2 )) (( segid "T22D" and resid 98 and name HB2 )) 3.700 1.700 1.700 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.13887E-02 ppm1 3.169 ppm2 1.576 CV 1 ASSI { 1525} (( segid "T22D" and resid 98 and name HD1 )) ( segid "T22D" and resid 105 and name HB% ) 4.500 2.500 1.500 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.83394E-03 ppm1 3.596 ppm2 1.302 CV 1 ASSI { 1528} (( segid "T22D" and resid 95 and name HA )) (( segid "T22D" and resid 96 and name HB2 )) 5.100 3.300 0.900 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.55971E-03 ppm1 5.141 ppm2 2.162 CV 1 ASSI { 1529} (( segid "T22D" and resid 95 and name HA )) (( segid "T22D" and resid 95 and name HB2 )) 2.700 0.900 0.900 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.25922E-02 ppm1 5.140 ppm2 2.815 CV 1 ASSI { 1530} (( segid "T22D" and resid 95 and name HA )) (( segid "T22D" and resid 96 and name HD1 )) 2.500 0.800 0.800 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.67235E-02 ppm1 5.138 ppm2 4.009 CV 1 ASSI { 1531} (( segid "T22D" and resid 95 and name HA )) (( segid "T22D" and resid 96 and name HD2 )) 2.300 0.600 0.600 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.61034E-02 ppm1 5.142 ppm2 4.106 CV 1 ASSI { 1533} (( segid "T22D" and resid 95 and name HA )) (( segid "T22D" and resid 95 and name HB1 )) 3.000 1.100 1.100 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.37228E-02 ppm1 5.137 ppm2 2.487 CV 1 ASSI { 1535} (( segid "T22D" and resid 43 and name HD2 )) (( segid "T22D" and resid 43 and name HG1 )) 3.300 1.300 1.300 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.13038E-02 ppm1 3.866 ppm2 2.227 CV 1 ASSI { 1538} (( segid "T22D" and resid 43 and name HD2 )) (( segid "T22D" and resid 43 and name HG2 )) 2.700 0.900 0.900 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.13419E-02 ppm1 3.869 ppm2 1.800 CV 1 ASSI { 1540} (( segid "T22D" and resid 43 and name HD2 )) (( segid "T22D" and resid 43 and name HD1 )) 2.200 0.600 0.600 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.25859E-02 ppm1 3.916 ppm2 3.793 CV 1 ASSI { 1541} (( segid "T22D" and resid 43 and name HD2 )) (( segid "T22D" and resid 43 and name HB2 )) 4.000 2.000 2.000 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.72956E-03 ppm1 3.890 ppm2 1.621 CV 1 ASSI { 1542} (( segid "T22D" and resid 43 and name HD1 )) (( segid "T22D" and resid 43 and name HB2 )) 4.000 2.000 2.000 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.94541E-03 ppm1 3.793 ppm2 1.621 CV 1 ASSI { 1544} (( segid "T22D" and resid 43 and name HD2 )) (( segid "T22D" and resid 103 and name HB2 )) 5.100 3.300 0.900 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.56213E-03 ppm1 3.877 ppm2 1.517 CV 1 ASSI { 1546} (( segid "T22D" and resid 43 and name HD2 )) (( segid "T22D" and resid 42 and name HB2 )) 4.600 2.600 1.400 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.49474E-03 ppm1 3.888 ppm2 0.942 CV 1 ASSI { 1548} (( segid "T22D" and resid 43 and name HD2 )) ( segid "T22D" and resid 42 and name HD1%) 4.600 2.600 1.400 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.48632E-03 ppm1 3.875 ppm2 0.438 CV 1 ASSI { 1549} (( segid "T22D" and resid 43 and name HD1 )) ( segid "T22D" and resid 42 and name HD1%) 5.100 3.200 0.900 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.56855E-03 ppm1 3.798 ppm2 0.440 CV 1 ASSI { 1551} (( segid "T22D" and resid 43 and name HD1 )) ( segid "T22D" and resid 46 and name HG2%) 4.600 2.600 1.400 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.80121E-03 ppm1 3.803 ppm2 1.147 CV 1 ASSI { 1554} (( segid "T22D" and resid 116 and name HD1 )) (( segid "T22D" and resid 115 and name HB1 )) 3.500 1.500 1.500 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.24260E-02 ppm1 3.804 ppm2 1.804 CV 1 ASSI { 1556} (( segid "T22D" and resid 116 and name HD2 )) (( segid "T22D" and resid 116 and name HB2 )) 3.400 1.400 1.400 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.26860E-02 ppm1 3.613 ppm2 1.869 CV 1 ASSI { 1557} (( segid "T22D" and resid 116 and name HD2 )) (( segid "T22D" and resid 115 and name HA )) 2.200 0.600 0.600 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.11843E-01 ppm1 3.610 ppm2 4.544 CV 1 ASSI { 1558} (( segid "T22D" and resid 116 and name HD1 )) (( segid "T22D" and resid 115 and name HA )) 2.000 0.500 0.500 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.12510E-01 ppm1 3.798 ppm2 4.544 CV 1 ASSI { 1559} (( segid "T22D" and resid 116 and name HD1 )) (( segid "T22D" and resid 116 and name HG1 )) 2.500 0.800 0.800 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.52156E-02 ppm1 3.796 ppm2 2.002 CV 1 OR { 1559} (( segid "T22D" and resid 116 and name HD1 )) (( segid "T22D" and resid 116 and name HG2 )) ASSI { 1562} (( segid "T22D" and resid 116 and name HD1 )) (( segid "T22D" and resid 116 and name HD2 )) 1.600 0.300 0.600 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.27540E-01 ppm1 3.797 ppm2 3.613 CV 1 ASSI { 1566} (( segid "T22D" and resid 116 and name HD2 )) (( segid "T22D" and resid 115 and name HB2 )) 3.800 1.800 1.800 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.21995E-02 ppm1 3.613 ppm2 1.691 CV 1 ASSI { 1568} (( segid "T22D" and resid 96 and name HD1 )) (( segid "T22D" and resid 96 and name HB1 )) 3.100 1.200 1.200 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.14894E-02 ppm1 4.011 ppm2 2.497 CV 1 ASSI { 1569} (( segid "T22D" and resid 96 and name HD1 )) (( segid "T22D" and resid 96 and name HD2 )) 1.900 0.500 0.500 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.90796E-02 ppm1 4.018 ppm2 4.107 CV 1 ASSI { 1570} (( segid "T22D" and resid 96 and name HD2 )) (( segid "T22D" and resid 96 and name HB2 )) 4.100 2.100 1.900 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.11370E-02 ppm1 4.115 ppm2 2.158 CV 1 ASSI { 1573} (( segid "T22D" and resid 96 and name HD2 )) (( segid "T22D" and resid 96 and name HB1 )) 3.700 1.700 1.700 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.19358E-02 ppm1 4.095 ppm2 2.498 CV 1 ASSI { 1576} (( segid "T22D" and resid 96 and name HD2 )) (( segid "T22D" and resid 95 and name HB2 )) 5.100 3.200 0.900 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.44333E-03 ppm1 4.122 ppm2 2.822 CV 1 ASSI { 1577} (( segid "T22D" and resid 96 and name HD1 )) (( segid "T22D" and resid 95 and name HB2 )) 5.100 3.200 0.900 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.43107E-03 ppm1 4.014 ppm2 2.817 CV 1 ASSI { 1582} (( segid "T22D" and resid 105 and name HA )) ( segid "T22D" and resid 105 and name HB% ) 2.400 0.700 0.700 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.55763E-02 ppm1 4.754 ppm2 1.310 CV 1 ASSI { 1585} (( segid "T22D" and resid 97 and name HA )) (( segid "T22D" and resid 106 and name HA )) 3.000 1.100 1.100 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.18428E-02 ppm1 6.037 ppm2 5.434 CV 1 ASSI { 1589} (( segid "T22D" and resid 97 and name HA )) (( segid "T22D" and resid 98 and name HD2 )) 2.400 0.700 0.700 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.35561E-02 ppm1 6.046 ppm2 3.171 CV 1 ASSI { 1592} (( segid "T22D" and resid 97 and name HA )) ( segid "T22D" and resid 107 and name HG2%) 4.200 2.200 1.800 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.67869E-03 ppm1 6.029 ppm2 1.023 CV 1 OR { 1592} (( segid "T22D" and resid 97 and name HA )) ( segid "T22D" and resid 107 and name HG1%) ASSI { 1593} (( segid "T22D" and resid 97 and name HA )) (( segid "T22D" and resid 104 and name HG2 )) 3.500 1.600 1.600 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.72456E-03 ppm1 6.048 ppm2 1.600 CV 1 OR { 1593} (( segid "T22D" and resid 97 and name HA )) (( segid "T22D" and resid 104 and name HG1 )) OR { 1593} (( segid "T22D" and resid 97 and name HA )) (( segid "T22D" and resid 104 and name HD2 )) OR { 1593} (( segid "T22D" and resid 97 and name HA )) (( segid "T22D" and resid 104 and name HD1 )) OR { 1593} (( segid "T22D" and resid 97 and name HA )) ( segid "T22D" and resid 104 and name HZ% ) OR { 1593} (( segid "T22D" and resid 97 and name HA )) (( segid "T22D" and resid 104 and name HB2 )) OR { 1593} (( segid "T22D" and resid 97 and name HA )) (( segid "T22D" and resid 104 and name HB1 )) ASSI { 1594} (( segid "T22D" and resid 105 and name HA )) (( segid "T22D" and resid 104 and name HA )) 4.000 2.000 2.000 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.81538E-03 ppm1 4.749 ppm2 4.126 CV 1 ASSI { 1599} (( segid "T22D" and resid 64 and name HA )) ( segid "T22D" and resid 65 and name HG2%) 3.600 1.600 1.600 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.22560E-02 ppm1 5.259 ppm2 0.937 CV 1 ASSI { 1603} (( segid "T22D" and resid 114 and name HA )) (( segid "3T5T" and resid 5 and name H2'')) 3.500 1.600 1.600 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.86780E-03 ppm1 4.006 ppm2 2.439 CV 1 ASSI { 1607} (( segid "T22D" and resid 114 and name HA )) (( segid "3T5T" and resid 5 and name H71 )) 3.600 1.600 1.600 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.83211E-03 ppm1 4.012 ppm2 1.149 CV 1 OR { 1607} (( segid "T22D" and resid 114 and name HA )) (( segid "3T5T" and resid 5 and name H72 )) OR { 1607} (( segid "T22D" and resid 114 and name HA )) (( segid "3T5T" and resid 5 and name H73 )) ASSI { 1608} (( segid "T22D" and resid 114 and name HA )) (( segid "3T5T" and resid 5 and name H1' )) 3.600 1.600 1.600 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.74299E-03 ppm1 4.005 ppm2 6.575 CV 1 ASSI { 1609} (( segid "T22D" and resid 85 and name HA )) ( segid "T22D" and resid 35 and name HG2%) 2.800 1.000 1.000 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.32730E-02 ppm1 4.882 ppm2 0.798 CV 1 ASSI { 1610} (( segid "T22D" and resid 85 and name HA )) (( segid "T22D" and resid 85 and name HB2 )) 2.300 2.300 3.700 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.90792E-02 ppm1 4.885 ppm2 2.737 CV 1 ASSI { 1611} (( segid "T22D" and resid 85 and name HA )) (( segid "T22D" and resid 86 and name HB2 )) 5.100 3.200 0.900 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.46489E-03 ppm1 4.877 ppm2 1.915 CV 1 ASSI { 1613} (( segid "T22D" and resid 85 and name HA )) (( segid "T22D" and resid 85 and name HB1 )) 2.400 0.700 0.700 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.91722E-02 ppm1 4.882 ppm2 2.998 CV 1 ASSI { 1614} (( segid "T22D" and resid 42 and name HA )) (( segid "T22D" and resid 43 and name HD1 )) 2.700 0.900 0.900 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.23037E-02 ppm1 4.322 ppm2 3.795 CV 1 ASSI { 1615} (( segid "T22D" and resid 42 and name HA )) (( segid "T22D" and resid 43 and name HD2 )) 2.400 0.700 0.700 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.24438E-02 ppm1 4.321 ppm2 3.897 CV 1 ASSI { 1622} (( segid "T22D" and resid 42 and name HA )) (( segid "T22D" and resid 43 and name HG2 )) 4.800 2.900 1.200 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.57377E-03 ppm1 4.296 ppm2 1.800 CV 1 ASSI { 1624} (( segid "T22D" and resid 42 and name HA )) (( segid "T22D" and resid 43 and name HB1 )) 4.800 2.900 1.200 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.47644E-03 ppm1 4.334 ppm2 2.058 CV 1 ASSI { 1625} (( segid "T22D" and resid 42 and name HA )) (( segid "T22D" and resid 42 and name HG )) 3.200 1.300 1.300 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.10231E-02 ppm1 4.320 ppm2 1.258 CV 1 ASSI { 1628} (( segid "T22D" and resid 83 and name HA )) ( segid "T22D" and resid 89 and name HB% ) 4.800 2.800 1.200 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.65183E-03 ppm1 5.077 ppm2 1.591 CV 1 ASSI { 1629} (( segid "T22D" and resid 83 and name HA )) (( segid "T22D" and resid 62 and name HB1 )) 4.500 2.600 1.500 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.52389E-03 ppm1 5.089 ppm2 1.705 CV 1 ASSI { 1630} (( segid "T22D" and resid 83 and name HA )) (( segid "T22D" and resid 61 and name HG11)) 4.300 2.300 1.700 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.56847E-03 ppm1 5.080 ppm2 1.520 CV 1 ASSI { 1632} (( segid "T22D" and resid 83 and name HA )) (( segid "T22D" and resid 61 and name HG12)) 3.800 1.800 1.800 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.51847E-03 ppm1 5.063 ppm2 0.912 CV 1 ASSI { 1633} (( segid "T22D" and resid 83 and name HA )) ( segid "T22D" and resid 81 and name HG1%) 4.000 2.000 2.000 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.40189E-03 ppm1 5.102 ppm2 0.524 CV 1 ASSI { 1634} (( segid "T22D" and resid 83 and name HA )) (( segid "T22D" and resid 83 and name HB1 )) 2.300 0.700 0.700 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.35131E-02 ppm1 5.091 ppm2 2.560 CV 1 ASSI { 1635} (( segid "T22D" and resid 83 and name HA )) (( segid "T22D" and resid 83 and name HB2 )) 3.100 1.200 1.200 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.16985E-02 ppm1 5.090 ppm2 1.993 CV 1 ASSI { 1636} (( segid "T22D" and resid 106 and name HA )) (( segid "T22D" and resid 106 and name HB1 )) 2.700 0.900 0.900 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.24433E-02 ppm1 5.432 ppm2 2.768 CV 1 ASSI { 1637} (( segid "T22D" and resid 83 and name HA )) (( segid "T22D" and resid 61 and name HA )) 2.100 0.600 0.600 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.71760E-02 ppm1 5.092 ppm2 4.111 CV 1 ASSI { 1639} (( segid "T22D" and resid 106 and name HA )) (( segid "T22D" and resid 106 and name HB2 )) 2.800 1.000 1.000 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.36624E-02 ppm1 5.431 ppm2 2.824 CV 1 ASSI { 1643} (( segid "T22D" and resid 108 and name HA )) ( segid "T22D" and resid 107 and name HG1%) 3.700 1.700 1.700 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.48936E-03 ppm1 4.933 ppm2 1.042 CV 1 ASSI { 1644} (( segid "T22D" and resid 108 and name HA )) ( segid "T22D" and resid 37 and name HG2%) 3.900 1.900 1.900 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.43507E-03 ppm1 4.946 ppm2 0.678 CV 1 ASSI { 1647} (( segid "T22D" and resid 108 and name HA )) (( segid "T22D" and resid 108 and name HB1 )) 2.200 0.600 0.600 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.81822E-02 ppm1 4.935 ppm2 3.004 CV 1 ASSI { 1648} (( segid "T22D" and resid 92 and name HA )) (( segid "T22D" and resid 58 and name HB1 )) 3.800 1.800 1.800 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.49303E-03 ppm1 1.953 ppm2 2.908 CV 1 ASSI { 1649} (( segid "T22D" and resid 92 and name HA )) (( segid "T22D" and resid 58 and name HB2 )) 4.000 2.000 2.000 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.59049E-03 ppm1 1.948 ppm2 3.659 CV 1 ASSI { 1650} (( segid "T22D" and resid 119 and name HA )) (( segid "T22D" and resid 119 and name HB2 )) 2.700 0.900 0.900 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.43094E-02 ppm1 4.753 ppm2 2.831 CV 1 ASSI { 1651} (( segid "T22D" and resid 92 and name HA )) ( segid "T22D" and resid 55 and name HE% ) 4.000 2.000 2.000 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.82860E-03 ppm1 1.919 ppm2 7.296 CV 1 ASSI { 1652} (( segid "T22D" and resid 119 and name HA )) (( segid "T22D" and resid 119 and name HB1 )) 2.700 0.900 0.900 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.38954E-02 ppm1 4.749 ppm2 2.757 CV 1 ASSI { 1654} (( segid "T22D" and resid 92 and name HA )) ( segid "T22D" and resid 58 and name HD% ) 3.400 1.400 1.400 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.98361E-03 ppm1 1.921 ppm2 7.360 CV 1 ASSI { 1656} (( segid "T22D" and resid 92 and name HA )) (( segid "T22D" and resid 58 and name HZ )) 3.500 1.500 1.500 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.94120E-03 ppm1 1.922 ppm2 7.243 CV 1 ASSI { 1657} (( segid "T22D" and resid 92 and name HA )) ( segid "T22D" and resid 58 and name HE% ) 3.500 1.500 1.500 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.81026E-03 ppm1 1.927 ppm2 6.967 CV 1 ASSI { 1661} (( segid "T22D" and resid 69 and name HA )) (( segid "T22D" and resid 69 and name HB1 )) 2.600 0.800 0.800 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.64879E-02 ppm1 4.614 ppm2 2.494 CV 1 ASSI { 1662} (( segid "T22D" and resid 69 and name HA )) (( segid "T22D" and resid 69 and name HB2 )) 2.400 0.700 0.700 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.54616E-02 ppm1 4.615 ppm2 3.085 CV 1 ASSI { 1663} (( segid "T22D" and resid 115 and name HA )) (( segid "T22D" and resid 115 and name HG1 )) 3.200 1.300 1.300 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.17867E-02 ppm1 4.541 ppm2 1.409 CV 1 ASSI { 1665} (( segid "T22D" and resid 115 and name HA )) (( segid "T22D" and resid 115 and name HG2 )) 3.000 1.100 1.100 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.14535E-02 ppm1 4.530 ppm2 1.499 CV 1 ASSI { 1666} (( segid "T22D" and resid 115 and name HA )) (( segid "T22D" and resid 116 and name HG1 )) 4.800 2.800 1.200 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.86580E-03 ppm1 4.539 ppm2 2.024 CV 1 OR { 1666} (( segid "T22D" and resid 115 and name HA )) (( segid "T22D" and resid 116 and name HG2 )) ASSI { 1668} (( segid "T22D" and resid 115 and name HA )) ( segid "T22D" and resid 114 and name HB% ) 2.800 2.800 3.200 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.86626E-03 ppm1 4.553 ppm2 1.284 CV 1 ASSI { 1669} (( segid "T22D" and resid 115 and name HA )) (( segid "T22D" and resid 115 and name HB2 )) 2.700 0.900 0.900 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.58828E-02 ppm1 4.550 ppm2 1.688 CV 1 ASSI { 1670} (( segid "T22D" and resid 103 and name HA )) (( segid "T22D" and resid 103 and name HB2 )) 2.500 0.800 0.800 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.34987E-02 ppm1 4.605 ppm2 1.488 CV 1 ASSI { 1671} (( segid "T22D" and resid 103 and name HA )) (( segid "T22D" and resid 103 and name HG1 )) 2.700 0.900 0.900 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.35199E-02 ppm1 4.606 ppm2 1.458 CV 1 ASSI { 1672} (( segid "T22D" and resid 103 and name HA )) (( segid "T22D" and resid 104 and name HB2 )) 4.500 2.500 1.500 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.70700E-03 ppm1 4.611 ppm2 1.587 CV 1 ASSI { 1674} (( segid "T22D" and resid 103 and name HA )) ( segid "T22D" and resid 99 and name HD1%) 4.200 2.200 1.800 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.41475E-03 ppm1 4.593 ppm2 0.700 CV 1 ASSI { 1676} (( segid "T22D" and resid 103 and name HA )) (( segid "T22D" and resid 103 and name HD1 )) 4.100 2.100 1.900 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.54750E-03 ppm1 4.606 ppm2 2.728 CV 1 ASSI { 1677} (( segid "T22D" and resid 103 and name HA )) (( segid "T22D" and resid 103 and name HB1 )) 3.000 1.100 1.100 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.27483E-02 ppm1 4.617 ppm2 1.671 CV 1 ASSI { 1678} (( segid "T22D" and resid 103 and name HA )) (( segid "T22D" and resid 103 and name HG2 )) 3.200 1.300 1.300 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.30493E-02 ppm1 4.617 ppm2 1.783 CV 1 ASSI { 1679} (( segid "T22D" and resid 103 and name HA )) (( segid "T22D" and resid 103 and name HD2 )) 3.500 1.500 1.500 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.50233E-03 ppm1 4.599 ppm2 2.894 CV 1 ASSI { 1683} (( segid "T22D" and resid 60 and name HA )) (( segid "T22D" and resid 61 and name HG11)) 3.500 1.600 1.600 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.11093E-02 ppm1 4.726 ppm2 1.533 CV 1 ASSI { 1684} (( segid "T22D" and resid 60 and name HA )) (( segid "T22D" and resid 61 and name HB )) 4.700 2.700 1.300 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.77760E-03 ppm1 4.713 ppm2 1.471 CV 1 ASSI { 1685} (( segid "T22D" and resid 60 and name HA )) (( segid "T22D" and resid 84 and name HB1 )) 4.000 2.000 2.000 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.15596E-02 ppm1 4.715 ppm2 1.707 CV 1 OR { 1685} (( segid "T22D" and resid 60 and name HA )) (( segid "T22D" and resid 84 and name HD2 )) OR { 1685} (( segid "T22D" and resid 60 and name HA )) (( segid "T22D" and resid 84 and name HD1 )) ASSI { 1686} (( segid "T22D" and resid 31 and name HA )) (( segid "T22D" and resid 31 and name HB1 )) 2.400 0.700 0.700 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.91588E-02 ppm1 4.652 ppm2 2.654 CV 1 ASSI { 1689} (( segid "T22D" and resid 31 and name HA )) ( segid "T22D" and resid 32 and name HG2%) 4.100 2.100 1.900 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.60780E-03 ppm1 4.642 ppm2 1.069 CV 1 ASSI { 1690} (( segid "T22D" and resid 78 and name HA )) (( segid "T22D" and resid 78 and name HB2 )) 2.900 1.100 1.100 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.15880E-02 ppm1 4.989 ppm2 2.482 CV 1 ASSI { 1691} (( segid "T22D" and resid 78 and name HA )) (( segid "T22D" and resid 78 and name HB1 )) 2.800 1.000 1.000 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.14098E-02 ppm1 4.988 ppm2 2.378 CV 1 ASSI { 1692} (( segid "T22D" and resid 78 and name HA )) (( segid "T22D" and resid 79 and name HA1 )) 4.000 2.000 2.000 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.59766E-03 ppm1 4.982 ppm2 3.786 CV 1 ASSI { 1696} (( segid "T22D" and resid 78 and name HA )) ( segid "T22D" and resid 78 and name HD% ) 4.600 2.600 1.400 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.38505E-03 ppm1 4.997 ppm2 6.399 CV 1 ASSI { 1697} (( segid "T22D" and resid 101 and name HA )) (( segid "T22D" and resid 101 and name HB1 )) 2.500 0.800 0.800 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.70258E-02 ppm1 4.229 ppm2 2.234 CV 1 ASSI { 1700} (( segid "T22D" and resid 71 and name HA )) ( segid "T22D" and resid 72 and name HG2%) 4.000 2.000 2.000 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.10599E-02 ppm1 4.733 ppm2 1.175 CV 1 ASSI { 1702} (( segid "T22D" and resid 71 and name HA )) (( segid "T22D" and resid 70 and name HB1 )) 3.300 1.400 1.400 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.85859E-03 ppm1 4.721 ppm2 1.859 CV 1 ASSI { 1703} (( segid "T22D" and resid 87 and name HA )) (( segid "T22D" and resid 86 and name HG1 )) 3.700 1.700 1.700 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.15237E-02 ppm1 4.244 ppm2 1.648 CV 1 ASSI { 1706} (( segid "T22D" and resid 87 and name HA )) (( segid "T22D" and resid 90 and name HB1 )) 2.600 0.800 0.800 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.36549E-02 ppm1 4.236 ppm2 2.095 CV 1 ASSI { 1708} (( segid "T22D" and resid 74 and name HA )) (( segid "T22D" and resid 74 and name HG1 )) 2.700 0.900 0.900 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.44533E-02 ppm1 4.365 ppm2 1.384 CV 1 OR { 1708} (( segid "T22D" and resid 74 and name HA )) (( segid "T22D" and resid 74 and name HG2 )) ASSI { 1710} (( segid "T22D" and resid 74 and name HA )) (( segid "T22D" and resid 74 and name HD2 )) 2.300 0.700 0.700 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.56351E-02 ppm1 4.365 ppm2 1.591 CV 1 OR { 1710} (( segid "T22D" and resid 74 and name HA )) (( segid "T22D" and resid 74 and name HB1 )) OR { 1710} (( segid "T22D" and resid 74 and name HA )) (( segid "T22D" and resid 74 and name HD1 )) ASSI { 1711} (( segid "T22D" and resid 47 and name HA )) ( segid "T22D" and resid 66 and name HG2%) 2.700 0.900 0.900 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.23514E-02 ppm1 4.842 ppm2 0.590 CV 1 ASSI { 1713} (( segid "T22D" and resid 110 and name HA )) (( segid "T22D" and resid 38 and name HA )) 3.900 1.900 1.900 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.14140E-02 ppm1 4.125 ppm2 4.589 CV 1 ASSI { 1714} (( segid "T22D" and resid 27 and name HA )) (( segid "T22D" and resid 27 and name HG2 )) 3.600 1.600 1.600 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.84941E-03 ppm1 4.440 ppm2 2.578 CV 1 OR { 1714} (( segid "T22D" and resid 27 and name HA )) (( segid "T22D" and resid 27 and name HG1 )) ASSI { 1715} (( segid "T22D" and resid 47 and name HA )) (( segid "T22D" and resid 47 and name HB2 )) 2.300 0.600 0.600 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.82260E-02 ppm1 4.844 ppm2 4.433 CV 1 ASSI { 1716} (( segid "T22D" and resid 45 and name HA )) (( segid "T22D" and resid 45 and name HB1 )) 2.400 0.700 0.700 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.61134E-02 ppm1 4.789 ppm2 3.063 CV 1 ASSI { 1717} (( segid "T22D" and resid 47 and name HA )) (( segid "T22D" and resid 47 and name HB1 )) 2.200 0.600 0.600 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.86826E-02 ppm1 4.843 ppm2 3.986 CV 1 ASSI { 1718} (( segid "T22D" and resid 110 and name HA )) (( segid "T22D" and resid 38 and name HB1 )) 2.700 0.900 0.900 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.32023E-02 ppm1 4.129 ppm2 2.620 CV 1 ASSI { 1719} (( segid "T22D" and resid 45 and name HA )) (( segid "T22D" and resid 45 and name HB2 )) 2.700 0.900 0.900 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.56989E-02 ppm1 4.789 ppm2 3.438 CV 1 ASSI { 1721} (( segid "T22D" and resid 110 and name HA )) ( segid "T22D" and resid 38 and name HD% ) 4.100 2.100 1.900 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.96009E-03 ppm1 4.127 ppm2 6.690 CV 1 ASSI { 1725} (( segid "T22D" and resid 74 and name HA )) ( segid "T22D" and resid 68 and name HG2%) 3.400 1.500 1.500 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.13093E-02 ppm1 4.363 ppm2 0.967 CV 1 ASSI { 1727} (( segid "T22D" and resid 47 and name HA )) ( segid "T22D" and resid 66 and name HG1%) 4.000 2.000 2.000 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.73886E-03 ppm1 4.837 ppm2 0.712 CV 1 ASSI { 1728} (( segid "T22D" and resid 63 and name HA )) (( segid "T22D" and resid 63 and name HB2 )) 2.400 0.700 0.700 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.46272E-02 ppm1 4.534 ppm2 2.114 CV 1 ASSI { 1730} (( segid "T22D" and resid 27 and name HA )) (( segid "T22D" and resid 27 and name HB1 )) 2.900 1.000 1.000 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.25431E-02 ppm1 4.430 ppm2 1.996 CV 1 ASSI { 1732} (( segid "T22D" and resid 27 and name HA )) (( segid "T22D" and resid 27 and name HB2 )) 2.700 0.900 0.900 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.40880E-02 ppm1 4.435 ppm2 2.056 CV 1 ASSI { 1733} (( segid "T22D" and resid 63 and name HA )) (( segid "T22D" and resid 63 and name HB1 )) 2.700 0.900 0.900 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.55367E-02 ppm1 4.533 ppm2 1.987 CV 1 ASSI { 1734} (( segid "T22D" and resid 89 and name HA )) (( segid "T22D" and resid 37 and name HG12)) 4.400 2.400 1.600 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.52193E-03 ppm1 4.097 ppm2 0.518 CV 1 ASSI { 1736} (( segid "T22D" and resid 63 and name HA )) (( segid "T22D" and resid 63 and name HG2 )) 3.000 1.100 1.100 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.46130E-02 ppm1 4.535 ppm2 2.356 CV 1 ASSI { 1737} (( segid "T22D" and resid 89 and name HA )) (( segid "T22D" and resid 83 and name HG1 )) 2.200 0.600 0.600 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.22286E-02 ppm1 4.112 ppm2 2.250 CV 1 ASSI { 1738} (( segid "T22D" and resid 89 and name HA )) (( segid "T22D" and resid 83 and name HB2 )) 4.000 2.000 2.000 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.83207E-03 ppm1 4.101 ppm2 1.996 CV 1 ASSI { 1739} (( segid "T22D" and resid 74 and name HA )) (( segid "T22D" and resid 74 and name HB2 )) 2.500 0.800 0.800 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.79574E-02 ppm1 4.384 ppm2 1.775 CV 1 ASSI { 1740} (( segid "T22D" and resid 27 and name HA )) (( segid "T22D" and resid 27 and name HG2 )) 3.300 1.400 1.400 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.12706E-02 ppm1 4.424 ppm2 2.505 CV 1 ASSI { 1741} (( segid "T22D" and resid 63 and name HA )) (( segid "T22D" and resid 62 and name HB1 )) 3.600 1.700 1.700 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.10807E-02 ppm1 4.537 ppm2 1.695 CV 1 ASSI { 1742} (( segid "T22D" and resid 63 and name HA )) (( segid "T22D" and resid 62 and name HB2 )) 4.600 2.600 1.400 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.65642E-03 ppm1 4.534 ppm2 1.797 CV 1 ASSI { 1743} (( segid "T22D" and resid 47 and name HA )) ( segid "T22D" and resid 46 and name HG2%) 3.700 1.700 1.700 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.74441E-03 ppm1 4.848 ppm2 1.135 CV 1 ASSI { 1748} (( segid "T22D" and resid 80 and name HA )) ( segid "T22D" and resid 39 and name HG2%) 3.400 1.400 1.400 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.75692E-03 ppm1 5.583 ppm2 0.595 CV 1 ASSI { 1750} (( segid "T22D" and resid 117 and name HA )) (( segid "T22D" and resid 117 and name HB2 )) 2.500 0.800 0.800 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.67314E-02 ppm1 4.406 ppm2 1.872 CV 1 ASSI { 1751} (( segid "T22D" and resid 80 and name HA )) ( segid "T22D" and resid 80 and name HD% ) 3.100 1.200 1.200 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.13179E-02 ppm1 5.587 ppm2 6.610 CV 1 ASSI { 1753} (( segid "T22D" and resid 80 and name HA )) (( segid "T22D" and resid 80 and name HB2 )) 3.000 1.100 1.100 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.23645E-02 ppm1 5.585 ppm2 2.779 CV 1 ASSI { 1756} (( segid "T22D" and resid 80 and name HA )) ( segid "T22D" and resid 65 and name HG2%) 4.000 2.000 2.000 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.84791E-03 ppm1 5.583 ppm2 0.935 CV 1 ASSI { 1759} (( segid "T22D" and resid 30 and name HA )) (( segid "T22D" and resid 30 and name HG1 )) 3.000 1.200 1.200 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.38144E-02 ppm1 4.314 ppm2 1.584 CV 1 ASSI { 1761} (( segid "T22D" and resid 76 and name HA )) (( segid "T22D" and resid 76 and name HG2 )) 2.700 0.900 0.900 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.21675E-02 ppm1 4.580 ppm2 1.502 CV 1 ASSI { 1764} (( segid "T22D" and resid 76 and name HA )) ( segid "T22D" and resid 44 and name HE% ) 3.300 1.400 1.400 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.98828E-03 ppm1 4.582 ppm2 6.022 CV 1 ASSI { 1765} (( segid "T22D" and resid 76 and name HA )) (( segid "T22D" and resid 76 and name HB1 )) 2.700 0.900 0.900 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.21858E-02 ppm1 4.573 ppm2 1.332 CV 1 ASSI { 1768} (( segid "T22D" and resid 112 and name HA )) ( segid "T22D" and resid 111 and name HE% ) 3.800 1.800 1.800 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.10563E-02 ppm1 3.665 ppm2 6.728 CV 1 ASSI { 1770} (( segid "T22D" and resid 76 and name HA )) (( segid "T22D" and resid 76 and name HG1 )) 3.000 1.100 1.100 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.33085E-02 ppm1 4.580 ppm2 1.731 CV 1 ASSI { 1771} (( segid "T22D" and resid 76 and name HA )) (( segid "T22D" and resid 76 and name HB2 )) 3.100 1.200 1.200 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.26112E-02 ppm1 4.580 ppm2 2.297 CV 1 ASSI { 1773} (( segid "T22D" and resid 112 and name HA )) ( segid "T22D" and resid 111 and name HD% ) 3.500 1.500 1.500 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.11840E-02 ppm1 3.659 ppm2 7.098 CV 1 ASSI { 1775} (( segid "T22D" and resid 76 and name HA )) (( segid "T22D" and resid 76 and name HD1 )) 4.300 2.300 1.700 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.10669E-02 ppm1 4.580 ppm2 3.379 CV 1 ASSI { 1777} (( segid "T22D" and resid 30 and name HA )) (( segid "T22D" and resid 30 and name HG2 )) 3.000 1.100 1.100 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.27346E-02 ppm1 4.292 ppm2 1.646 CV 1 ASSI { 1781} (( segid "T22D" and resid 30 and name HA )) ( segid "T22D" and resid 32 and name HG2%) 4.100 2.100 1.900 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.70788E-03 ppm1 4.300 ppm2 1.072 CV 1 ASSI { 1783} (( segid "T22D" and resid 36 and name HA )) ( segid "T22D" and resid 37 and name HD1%) 4.600 2.700 1.400 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.71101E-03 ppm1 4.957 ppm2 0.694 CV 1 OR { 1783} (( segid "T22D" and resid 36 and name HA )) ( segid "T22D" and resid 37 and name HG2%) ASSI { 1785} (( segid "T22D" and resid 36 and name HA )) (( segid "T22D" and resid 37 and name HG12)) 5.000 3.100 1.000 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.49337E-03 ppm1 4.955 ppm2 0.518 CV 1 ASSI { 1787} (( segid "T22D" and resid 36 and name HA )) (( segid "T22D" and resid 82 and name HA )) 2.500 0.800 0.800 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.35075E-02 ppm1 4.958 ppm2 5.243 CV 1 ASSI { 1789} (( segid "T22D" and resid 36 and name HA )) (( segid "T22D" and resid 37 and name HG11)) 3.700 1.700 1.700 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.92568E-03 ppm1 4.969 ppm2 1.725 CV 1 ASSI { 1791} (( segid "T22D" and resid 36 and name HA )) (( segid "T22D" and resid 36 and name HD2 )) 4.300 2.300 1.700 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.58544E-03 ppm1 4.974 ppm2 1.595 CV 1 ASSI { 1792} (( segid "T22D" and resid 36 and name HA )) (( segid "T22D" and resid 36 and name HG1 )) 3.100 1.200 1.200 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.92556E-03 ppm1 4.974 ppm2 0.958 CV 1 ASSI { 1795} (( segid "T22D" and resid 109 and name HA )) (( segid "T22D" and resid 109 and name HB2 )) 2.800 1.000 1.000 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.22955E-02 ppm1 4.466 ppm2 1.899 CV 1 ASSI { 1797} (( segid "T22D" and resid 109 and name HA )) (( segid "T22D" and resid 37 and name HG12)) 3.200 1.300 1.300 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.93181E-03 ppm1 4.468 ppm2 0.521 CV 1 ASSI { 1798} (( segid "T22D" and resid 109 and name HA )) ( segid "T22D" and resid 111 and name HD% ) 4.700 2.700 1.300 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.53440E-03 ppm1 4.482 ppm2 7.089 CV 1 ASSI { 1799} (( segid "T22D" and resid 109 and name HA )) ( segid "T22D" and resid 111 and name HE% ) 5.200 3.400 0.800 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.39751E-03 ppm1 4.468 ppm2 6.718 CV 1 ASSI { 1801} (( segid "T22D" and resid 57 and name HA )) (( segid "T22D" and resid 57 and name HG1 )) 3.400 1.500 1.500 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.20320E-02 ppm1 4.074 ppm2 1.476 CV 1 ASSI { 1804} (( segid "T22D" and resid 109 and name HA )) (( segid "T22D" and resid 37 and name HA )) 2.400 0.700 0.700 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.44641E-02 ppm1 4.479 ppm2 4.201 CV 1 ASSI { 1811} (( segid "T22D" and resid 121 and name HA )) (( segid "T22D" and resid 121 and name HB1 )) 3.300 1.400 1.400 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.11208E-02 ppm1 4.159 ppm2 2.093 CV 1 ASSI { 1812} (( segid "T22D" and resid 73 and name HA )) (( segid "T22D" and resid 69 and name HB1 )) 4.200 2.200 1.800 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.51856E-03 ppm1 3.982 ppm2 2.494 CV 1 ASSI { 1813} (( segid "T22D" and resid 73 and name HA )) (( segid "T22D" and resid 68 and name HB )) 2.300 0.700 0.700 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.57802E-02 ppm1 3.975 ppm2 3.674 CV 1 ASSI { 1814} (( segid "T22D" and resid 73 and name HA )) (( segid "T22D" and resid 69 and name HB2 )) 4.900 3.000 1.100 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.55842E-03 ppm1 3.991 ppm2 3.090 CV 1 ASSI { 1818} (( segid "T22D" and resid 104 and name HA )) (( segid "T22D" and resid 104 and name HB2 )) 2.400 0.700 0.700 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.34011E-02 ppm1 4.118 ppm2 1.600 CV 1 ASSI { 1819} (( segid "T22D" and resid 62 and name HA )) (( segid "T22D" and resid 84 and name HE2 )) 3.200 1.300 1.300 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.11464E-02 ppm1 4.406 ppm2 2.969 CV 1 OR { 1819} (( segid "T22D" and resid 62 and name HA )) (( segid "T22D" and resid 84 and name HE1 )) ASSI { 1821} (( segid "T22D" and resid 121 and name HA )) (( segid "3T5T" and resid 7 and name H1' )) 3.100 3.100 2.900 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.47977E-03 ppm1 4.151 ppm2 6.395 CV 1 ASSI { 1822} (( segid "T22D" and resid 62 and name HA )) (( segid "T22D" and resid 62 and name HB2 )) 2.500 0.800 0.800 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.45617E-02 ppm1 4.401 ppm2 1.817 CV 1 ASSI { 1823} (( segid "T22D" and resid 38 and name HA )) ( segid "T22D" and resid 39 and name HG2%) 4.000 2.000 2.000 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.75988E-03 ppm1 4.593 ppm2 0.591 CV 1 ASSI { 1826} (( segid "T22D" and resid 62 and name HA )) (( segid "T22D" and resid 84 and name HG1 )) 3.800 1.800 1.800 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.12125E-02 ppm1 4.396 ppm2 1.369 CV 1 OR { 1826} (( segid "T22D" and resid 62 and name HA )) (( segid "T22D" and resid 84 and name HG2 )) ASSI { 1828} (( segid "T22D" and resid 38 and name HA )) ( segid "T22D" and resid 38 and name HD% ) 3.200 1.200 1.200 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.99649E-03 ppm1 4.588 ppm2 6.686 CV 1 ASSI { 1829} (( segid "T22D" and resid 104 and name HA )) (( segid "T22D" and resid 104 and name HB1 )) 3.100 1.200 1.200 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.25075E-02 ppm1 4.125 ppm2 1.661 CV 1 OR { 1829} (( segid "T22D" and resid 104 and name HA )) (( segid "T22D" and resid 104 and name HD2 )) OR { 1829} (( segid "T22D" and resid 104 and name HA )) (( segid "T22D" and resid 104 and name HD1 )) ASSI { 1830} (( segid "T22D" and resid 38 and name HA )) (( segid "T22D" and resid 80 and name HA )) 3.100 1.200 1.200 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.10713E-02 ppm1 4.591 ppm2 5.587 CV 1 ASSI { 1833} (( segid "T22D" and resid 34 and name HA )) ( segid "T22D" and resid 35 and name HG2%) 4.300 2.300 1.700 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.56155E-03 ppm1 4.958 ppm2 0.798 CV 1 ASSI { 1834} (( segid "T22D" and resid 34 and name HA )) (( segid "T22D" and resid 34 and name HB1 )) 2.500 0.800 0.800 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.33475E-02 ppm1 4.959 ppm2 2.741 CV 1 ASSI { 1835} (( segid "T22D" and resid 34 and name HA )) ( segid "T22D" and resid 34 and name HE% ) 3.900 1.900 1.900 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.10309E-02 ppm1 4.966 ppm2 7.298 CV 1 ASSI { 1838} (( segid "T22D" and resid 34 and name HA )) (( segid "T22D" and resid 34 and name HB2 )) 2.700 0.900 0.900 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.44587E-02 ppm1 4.960 ppm2 3.523 CV 1 ASSI { 1840} (( segid "T22D" and resid 34 and name HA )) ( segid "T22D" and resid 34 and name HD% ) 2.800 1.000 1.000 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.31738E-02 ppm1 4.965 ppm2 7.222 CV 1 ASSI { 1841} (( segid "T22D" and resid 34 and name HA )) ( segid "T22D" and resid 109 and name HD2%) 2.700 0.900 0.900 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.23183E-02 ppm1 4.963 ppm2 0.884 CV 1 ASSI { 1843} (( segid "T22D" and resid 34 and name HA )) (( segid "T22D" and resid 33 and name HG2 )) 4.100 2.100 1.900 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.50996E-03 ppm1 4.965 ppm2 1.276 CV 1 ASSI { 1845} (( segid "T22D" and resid 38 and name HA )) (( segid "3T5T" and resid 5 and name H1' )) 4.200 2.200 1.800 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.85442E-03 ppm1 4.588 ppm2 6.597 CV 1 ASSI { 1847} (( segid "T22D" and resid 56 and name HA )) (( segid "T22D" and resid 61 and name HG11)) 2.700 0.900 0.900 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.13443E-02 ppm1 4.403 ppm2 1.531 CV 1 ASSI { 1849} (( segid "T22D" and resid 48 and name HA )) (( segid "T22D" and resid 48 and name HB2 )) 2.900 1.000 1.000 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.42669E-02 ppm1 4.055 ppm2 2.747 CV 1 ASSI { 1851} (( segid "T22D" and resid 48 and name HA )) (( segid "T22D" and resid 48 and name HB1 )) 2.400 0.700 0.700 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.50834E-02 ppm1 4.054 ppm2 2.990 CV 1 ASSI { 1853} (( segid "T22D" and resid 56 and name HA )) ( segid "T22D" and resid 81 and name HG2%) 3.700 3.700 2.300 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.28532E-02 ppm1 4.406 ppm2 0.289 CV 1 ASSI { 1854} (( segid "T22D" and resid 70 and name HA )) (( segid "T22D" and resid 71 and name HA )) 3.000 3.000 3.000 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.23273E-02 ppm1 4.050 ppm2 4.735 CV 1 ASSI { 1856} (( segid "T22D" and resid 51 and name HA )) (( segid "T22D" and resid 51 and name HB2 )) 2.600 0.900 0.900 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.52152E-02 ppm1 4.125 ppm2 1.312 CV 1 ASSI { 1859} (( segid "T22D" and resid 75 and name HA )) (( segid "T22D" and resid 75 and name HB1 )) 2.400 0.700 0.700 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.40297E-02 ppm1 4.179 ppm2 4.028 CV 1 ASSI { 1860} (( segid "T22D" and resid 75 and name HA )) (( segid "T22D" and resid 75 and name HB2 )) 2.300 0.700 0.700 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.61301E-02 ppm1 4.183 ppm2 4.228 CV 1 ASSI { 1863} (( segid "T22D" and resid 70 and name HA )) (( segid "T22D" and resid 69 and name HB1 )) 4.100 2.100 1.900 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.47519E-03 ppm1 4.071 ppm2 2.504 CV 1 ASSI { 1865} (( segid "T22D" and resid 51 and name HA )) (( segid "T22D" and resid 54 and name HB2 )) 3.800 1.800 1.800 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.73657E-03 ppm1 4.137 ppm2 3.241 CV 1 ASSI { 1866} (( segid "T22D" and resid 51 and name HA )) (( segid "T22D" and resid 51 and name HG )) 3.000 1.200 1.200 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.18362E-02 ppm1 4.117 ppm2 1.464 CV 1 ASSI { 1868} (( segid "T22D" and resid 51 and name HA )) ( segid "T22D" and resid 46 and name HG2%) 3.800 1.800 1.800 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.13493E-02 ppm1 4.124 ppm2 1.148 CV 1 ASSI { 1871} (( segid "T22D" and resid 29 and name HA )) (( segid "T22D" and resid 29 and name HB2 )) 2.400 0.700 0.700 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.83261E-02 ppm1 4.415 ppm2 3.840 CV 1 ASSI { 1872} (( segid "T22D" and resid 51 and name HA )) (( segid "T22D" and resid 54 and name HB1 )) 3.200 1.300 1.300 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.67644E-03 ppm1 4.145 ppm2 2.894 CV 1 ASSI { 1874} (( segid "T22D" and resid 51 and name HA )) ( segid "T22D" and resid 100 and name HD1%) 3.800 1.800 1.800 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.55805E-03 ppm1 4.113 ppm2 0.257 CV 1 ASSI { 1875} (( segid "T22D" and resid 29 and name HA )) (( segid "T22D" and resid 29 and name HB1 )) 2.400 0.700 0.700 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.79274E-02 ppm1 4.415 ppm2 3.886 CV 1 ASSI { 1877} (( segid "T22D" and resid 70 and name HA )) (( segid "T22D" and resid 69 and name HA )) 3.900 1.900 1.900 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.13027E-02 ppm1 4.047 ppm2 4.620 CV 1 ASSI { 1879} (( segid "T22D" and resid 58 and name HA )) (( segid "T22D" and resid 58 and name HB2 )) 3.100 1.200 1.200 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.26441E-02 ppm1 4.729 ppm2 3.673 CV 1 ASSI { 1881} (( segid "T22D" and resid 58 and name HA )) (( segid "T22D" and resid 58 and name HB1 )) 2.900 1.000 1.000 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.17568E-02 ppm1 4.722 ppm2 2.885 CV 1 ASSI { 1883} (( segid "T22D" and resid 58 and name HA )) ( segid "T22D" and resid 58 and name HD% ) 3.000 1.100 1.100 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.24250E-02 ppm1 4.720 ppm2 7.365 CV 1 ASSI { 1885} (( segid "T22D" and resid 58 and name HA )) ( segid "T22D" and resid 92 and name HB% ) 4.600 2.600 1.400 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.82589E-03 ppm1 4.721 ppm2 1.415 CV 1 ASSI { 1886} (( segid "T22D" and resid 58 and name HA )) (( segid "T22D" and resid 91 and name HB2 )) 4.300 2.300 1.700 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.52606E-03 ppm1 4.735 ppm2 2.073 CV 1 ASSI { 1887} (( segid "T22D" and resid 58 and name HA )) (( segid "T22D" and resid 91 and name HB1 )) 4.100 2.100 1.900 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.62448E-03 ppm1 4.728 ppm2 2.361 CV 1 ASSI { 1889} (( segid "T22D" and resid 70 and name HA )) (( segid "T22D" and resid 73 and name HG2 )) 3.000 1.100 1.100 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.19633E-02 ppm1 4.063 ppm2 2.284 CV 1 OR { 1889} (( segid "T22D" and resid 70 and name HA )) (( segid "T22D" and resid 73 and name HG1 )) ASSI { 1893} (( segid "T22D" and resid 65 and name HA )) (( segid "T22D" and resid 66 and name HB )) 4.000 2.000 2.000 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.19494E-02 ppm1 4.752 ppm2 1.861 CV 1 ASSI { 1903} (( segid "T22D" and resid 68 and name HA )) (( segid "T22D" and resid 69 and name HB1 )) 5.100 3.200 0.900 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.43102E-03 ppm1 4.807 ppm2 2.489 CV 1 ASSI { 1904} (( segid "T22D" and resid 68 and name HA )) (( segid "T22D" and resid 76 and name HG2 )) 3.800 1.800 1.800 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.15743E-02 ppm1 4.807 ppm2 1.502 CV 1 ASSI { 1906} (( segid "T22D" and resid 68 and name HA )) ( segid "T22D" and resid 68 and name HG2%) 2.300 0.700 0.700 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.93332E-02 ppm1 4.806 ppm2 0.963 CV 1 ASSI { 1907} (( segid "T22D" and resid 68 and name HA )) ( segid "T22D" and resid 67 and name HG2%) 3.300 1.400 1.400 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.93540E-03 ppm1 4.807 ppm2 0.877 CV 1 ASSI { 1908} (( segid "T22D" and resid 68 and name HA )) (( segid "T22D" and resid 68 and name HB )) 2.200 0.600 0.600 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.82218E-02 ppm1 4.808 ppm2 3.673 CV 1 ASSI { 1909} (( segid "T22D" and resid 68 and name HA )) ( segid "T22D" and resid 66 and name HG1%) 3.400 1.500 1.500 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.15880E-02 ppm1 4.802 ppm2 0.715 CV 1 ASSI { 1910} (( segid "T22D" and resid 68 and name HA )) (( segid "T22D" and resid 75 and name HA )) 2.200 0.600 0.600 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.69420E-02 ppm1 4.811 ppm2 4.179 CV 1 ASSI { 1911} (( segid "T22D" and resid 68 and name HA )) (( segid "T22D" and resid 76 and name HG1 )) 2.900 1.000 1.000 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.10761E-02 ppm1 4.820 ppm2 1.733 CV 1 ASSI { 1912} (( segid "T22D" and resid 68 and name HA )) (( segid "T22D" and resid 73 and name HA )) 3.800 1.800 1.800 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.13050E-02 ppm1 4.823 ppm2 3.979 CV 1 ASSI { 1913} (( segid "T22D" and resid 68 and name HA )) (( segid "T22D" and resid 76 and name HD2 )) 4.100 2.100 1.900 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.62231E-03 ppm1 4.812 ppm2 3.077 CV 1 ASSI { 1914} (( segid "T22D" and resid 68 and name HA )) (( segid "T22D" and resid 75 and name HB1 )) 4.100 2.100 1.900 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.11470E-02 ppm1 4.821 ppm2 4.026 CV 1 ASSI { 1916} (( segid "T22D" and resid 53 and name HA )) (( segid "T22D" and resid 53 and name HB2 )) 2.500 0.800 0.800 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.69558E-02 ppm1 4.070 ppm2 2.250 CV 1 ASSI { 1918} (( segid "T22D" and resid 84 and name HA )) (( segid "T22D" and resid 84 and name HB1 )) 2.600 0.900 0.900 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.53482E-02 ppm1 4.081 ppm2 1.721 CV 1 ASSI { 1919} (( segid "T22D" and resid 84 and name HA )) ( segid "T22D" and resid 35 and name HG2%) 2.600 2.600 3.400 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.51159E-02 ppm1 4.072 ppm2 0.796 CV 1 ASSI { 1922} (( segid "T22D" and resid 65 and name HA )) (( segid "T22D" and resid 48 and name HB1 )) 3.100 1.200 1.200 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.90300E-03 ppm1 4.726 ppm2 3.000 CV 1 ASSI { 1924} (( segid "T22D" and resid 65 and name HA )) (( segid "T22D" and resid 48 and name HB2 )) 5.000 3.100 1.000 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.52010E-03 ppm1 4.729 ppm2 2.737 CV 1 ASSI { 1928} (( segid "T22D" and resid 94 and name HA )) (( segid "T22D" and resid 94 and name HG2 )) 2.900 1.100 1.100 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.33018E-02 ppm1 3.878 ppm2 1.568 CV 1 ASSI { 1929} (( segid "T22D" and resid 94 and name HA )) (( segid "T22D" and resid 94 and name HG1 )) 3.100 1.200 1.200 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.23133E-02 ppm1 3.885 ppm2 1.542 CV 1 ASSI { 1930} (( segid "T22D" and resid 49 and name HA )) (( segid "T22D" and resid 52 and name HB2 )) 2.500 0.800 0.800 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.45513E-02 ppm1 4.150 ppm2 3.590 CV 1 OR { 1930} (( segid "T22D" and resid 49 and name HA )) (( segid "T22D" and resid 52 and name HB1 )) ASSI { 1932} (( segid "T22D" and resid 49 and name HA )) (( segid "T22D" and resid 49 and name HE2 )) 4.200 2.200 1.800 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.77110E-03 ppm1 4.166 ppm2 2.993 CV 1 OR { 1932} (( segid "T22D" and resid 49 and name HA )) (( segid "T22D" and resid 49 and name HE1 )) ASSI { 1935} (( segid "T22D" and resid 94 and name HA )) (( segid "T22D" and resid 94 and name HB1 )) 2.600 0.900 0.900 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.67727E-02 ppm1 3.881 ppm2 1.816 CV 1 ASSI { 1938} (( segid "T22D" and resid 94 and name HA )) (( segid "T22D" and resid 95 and name HA )) 3.700 1.800 1.800 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.71643E-03 ppm1 3.881 ppm2 5.134 CV 1 ASSI { 1941} (( segid "T22D" and resid 93 and name HA )) (( segid "T22D" and resid 94 and name HA )) 3.700 1.700 1.700 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.75383E-03 ppm1 4.250 ppm2 3.882 CV 1 ASSI { 1943} (( segid "T22D" and resid 111 and name HA )) (( segid "T22D" and resid 33 and name HA )) 4.700 2.700 1.300 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.49499E-03 ppm1 4.455 ppm2 3.739 CV 1 ASSI { 1944} (( segid "T22D" and resid 111 and name HA )) ( segid "T22D" and resid 111 and name HE% ) 4.800 2.900 1.200 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.47873E-03 ppm1 4.428 ppm2 6.717 CV 1 ASSI { 1948} (( segid "T22D" and resid 90 and name HA )) (( segid "T22D" and resid 93 and name HB1 )) 4.200 2.200 1.800 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.17245E-02 ppm1 4.051 ppm2 3.036 CV 1 ASSI { 1949} (( segid "T22D" and resid 111 and name HA )) (( segid "T22D" and resid 111 and name HB1 )) 2.400 0.700 0.700 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.72243E-02 ppm1 4.436 ppm2 2.936 CV 1 ASSI { 1950} (( segid "T22D" and resid 111 and name HA )) ( segid "T22D" and resid 111 and name HD% ) 3.300 1.400 1.400 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.29992E-02 ppm1 4.437 ppm2 7.096 CV 1 ASSI { 1952} (( segid "T22D" and resid 39 and name HA )) ( segid "T22D" and resid 107 and name HG2%) 3.500 1.500 1.500 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.86530E-03 ppm1 4.370 ppm2 1.046 CV 1 OR { 1952} (( segid "T22D" and resid 39 and name HA )) ( segid "T22D" and resid 107 and name HG1%) ASSI { 1953} (( segid "T22D" and resid 93 and name HA )) ( segid "T22D" and resid 37 and name HG2%) 3.800 1.800 1.800 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.12465E-02 ppm1 4.265 ppm2 0.691 CV 1 ASSI { 1954} (( segid "T22D" and resid 93 and name HA )) ( segid "T22D" and resid 92 and name HB% ) 4.000 2.000 2.000 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.51634E-03 ppm1 4.258 ppm2 1.421 CV 1 ASSI { 1957} (( segid "T22D" and resid 90 and name HA )) (( segid "T22D" and resid 90 and name HB1 )) 2.500 0.800 0.800 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.77252E-02 ppm1 4.047 ppm2 2.091 CV 1 ASSI { 1959} (( segid "T22D" and resid 93 and name HA )) ( segid "T22D" and resid 107 and name HG1%) 2.600 0.900 0.900 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.30231E-02 ppm1 4.260 ppm2 1.050 CV 1 ASSI { 1961} (( segid "T22D" and resid 93 and name HA )) (( segid "T22D" and resid 93 and name HB1 )) 2.400 0.700 0.700 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.43690E-02 ppm1 4.260 ppm2 3.038 CV 1 ASSI { 1962} (( segid "T22D" and resid 99 and name HA )) ( segid "T22D" and resid 99 and name HD1%) 2.500 0.800 0.800 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.39487E-02 ppm1 4.152 ppm2 0.706 CV 1 ASSI { 1964} (( segid "T22D" and resid 39 and name HA )) (( segid "T22D" and resid 39 and name HB )) 3.200 1.300 1.300 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.94074E-03 ppm1 4.366 ppm2 1.441 CV 1 ASSI { 1965} (( segid "T22D" and resid 99 and name HA )) ( segid "T22D" and resid 99 and name HG2%) 2.500 0.800 0.800 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.48361E-02 ppm1 4.159 ppm2 0.551 CV 1 ASSI { 1968} (( segid "T22D" and resid 90 and name HA )) (( segid "T22D" and resid 93 and name HB2 )) 2.700 0.900 0.900 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.17277E-02 ppm1 4.044 ppm2 2.801 CV 1 ASSI { 1970} (( segid "T22D" and resid 33 and name HA )) (( segid "T22D" and resid 36 and name HB2 )) 4.300 2.300 1.700 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.44637E-03 ppm1 3.749 ppm2 2.054 CV 1 ASSI { 1971} (( segid "T22D" and resid 33 and name HA )) ( segid "T22D" and resid 111 and name HE% ) 4.400 2.400 1.600 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.42323E-03 ppm1 3.739 ppm2 6.727 CV 1 ASSI { 1975} (( segid "T22D" and resid 91 and name HA )) (( segid "T22D" and resid 94 and name HB2 )) 2.800 1.000 1.000 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.22280E-02 ppm1 3.985 ppm2 1.905 CV 1 ASSI { 1976} (( segid "T22D" and resid 33 and name HA )) (( segid "T22D" and resid 111 and name HB1 )) 2.900 1.100 1.100 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.12998E-02 ppm1 3.747 ppm2 2.933 CV 1 ASSI { 1977} (( segid "T22D" and resid 33 and name HA )) ( segid "T22D" and resid 111 and name HD% ) 3.400 1.500 1.500 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.11509E-02 ppm1 3.749 ppm2 7.094 CV 1 ASSI { 1981} (( segid "T22D" and resid 91 and name HA )) (( segid "T22D" and resid 91 and name HB1 )) 2.600 0.800 0.800 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.30460E-02 ppm1 3.976 ppm2 2.362 CV 1 ASSI { 1983} (( segid "T22D" and resid 91 and name HA )) ( segid "T22D" and resid 58 and name HD% ) 4.000 2.000 2.000 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.68845E-03 ppm1 3.971 ppm2 7.356 CV 1 ASSI { 1985} (( segid "T22D" and resid 33 and name HA )) (( segid "T22D" and resid 111 and name HB2 )) 3.600 1.600 1.600 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.11640E-02 ppm1 3.750 ppm2 3.232 CV 1 ASSI { 1986} (( segid "T22D" and resid 91 and name HA )) ( segid "T22D" and resid 92 and name HB% ) 4.500 2.600 1.500 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.54966E-03 ppm1 3.972 ppm2 1.408 CV 1 ASSI { 1988} (( segid "T22D" and resid 91 and name HA )) (( segid "T22D" and resid 91 and name HD1 )) 3.200 1.300 1.300 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.13127E-02 ppm1 3.978 ppm2 3.418 CV 1 ASSI { 1990} (( segid "T22D" and resid 81 and name HA )) (( segid "T22D" and resid 81 and name HB )) 3.100 1.200 1.200 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.13788E-02 ppm1 4.788 ppm2 1.089 CV 1 ASSI { 1991} (( segid "T22D" and resid 81 and name HA )) ( segid "T22D" and resid 82 and name HG2%) 4.900 3.000 1.100 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.49666E-03 ppm1 4.803 ppm2 1.162 CV 1 ASSI { 1993} (( segid "T22D" and resid 81 and name HA )) ( segid "T22D" and resid 81 and name HG2%) 2.600 0.800 0.800 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.33956E-02 ppm1 4.805 ppm2 0.269 CV 1 ASSI { 1994} (( segid "T22D" and resid 52 and name HA )) ( segid "T22D" and resid 61 and name HG2%) 3.600 1.600 1.600 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.10166E-02 ppm1 3.749 ppm2 0.607 CV 1 ASSI { 1995} (( segid "T22D" and resid 81 and name HA )) ( segid "T22D" and resid 61 and name HG2%) 3.500 1.600 1.600 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.12414E-02 ppm1 4.800 ppm2 0.603 CV 1 ASSI { 1996} (( segid "T22D" and resid 44 and name HA )) (( segid "T22D" and resid 44 and name HB2 )) 3.200 1.300 1.300 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.19959E-02 ppm1 4.237 ppm2 2.814 CV 1 ASSI { 1999} (( segid "T22D" and resid 81 and name HA )) ( segid "T22D" and resid 64 and name HB% ) 3.200 1.300 1.300 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.21415E-02 ppm1 4.804 ppm2 1.333 CV 1 ASSI { 2000} (( segid "T22D" and resid 81 and name HA )) (( segid "T22D" and resid 64 and name HA )) 2.400 0.700 0.700 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.43911E-02 ppm1 4.804 ppm2 5.259 CV 1 ASSI { 2001} (( segid "T22D" and resid 52 and name HA )) (( segid "T22D" and resid 52 and name HD2 )) 3.600 1.600 1.600 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.80809E-03 ppm1 3.749 ppm2 7.308 CV 1 ASSI { 2002} (( segid "T22D" and resid 44 and name HA )) ( segid "T22D" and resid 44 and name HE% ) 4.600 2.600 1.400 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.90913E-03 ppm1 4.239 ppm2 6.023 CV 1 ASSI { 2003} (( segid "T22D" and resid 52 and name HA )) (( segid "T22D" and resid 55 and name HB1 )) 4.600 2.700 1.400 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.77089E-03 ppm1 3.752 ppm2 2.859 CV 1 ASSI { 2004} (( segid "T22D" and resid 52 and name HA )) ( segid "T22D" and resid 81 and name HG2%) 3.000 1.200 1.200 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.24682E-02 ppm1 3.750 ppm2 0.286 CV 1 ASSI { 2005} (( segid "T22D" and resid 81 and name HA )) ( segid "T22D" and resid 81 and name HG1%) 2.600 0.800 0.800 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.37741E-02 ppm1 4.807 ppm2 0.528 CV 1 ASSI { 2006} (( segid "T22D" and resid 91 and name HA )) (( segid "T22D" and resid 91 and name HB2 )) 2.800 1.000 1.000 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.42765E-02 ppm1 3.983 ppm2 2.080 CV 1 ASSI { 2007} (( segid "T22D" and resid 52 and name HA )) (( segid "T22D" and resid 52 and name HB1 )) 2.200 0.600 0.600 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.79307E-02 ppm1 3.750 ppm2 3.593 CV 1 OR { 2007} (( segid "T22D" and resid 52 and name HA )) (( segid "T22D" and resid 52 and name HB2 )) ASSI { 2009} (( segid "T22D" and resid 44 and name HA )) (( segid "T22D" and resid 75 and name HB1 )) 3.200 1.300 1.300 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.10248E-02 ppm1 4.231 ppm2 4.035 CV 1 ASSI { 2014} (( segid "T22D" and resid 81 and name HA )) (( segid "T22D" and resid 82 and name HB )) 4.400 2.500 1.600 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.83765E-03 ppm1 4.819 ppm2 3.916 CV 1 ASSI { 2018} (( segid "T22D" and resid 107 and name HA )) (( segid "T22D" and resid 39 and name HA )) 2.900 1.000 1.000 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.16263E-02 ppm1 5.168 ppm2 4.379 CV 1 ASSI { 2019} (( segid "T22D" and resid 107 and name HA )) ( segid "T22D" and resid 107 and name HG2%) 2.700 0.900 0.900 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.23363E-02 ppm1 5.161 ppm2 1.007 CV 1 ASSI { 2025} (( segid "T22D" and resid 107 and name HA )) ( segid "T22D" and resid 39 and name HG1%) 3.100 1.200 1.200 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.21091E-02 ppm1 5.172 ppm2 0.683 CV 1 OR { 2025} (( segid "T22D" and resid 107 and name HA )) ( segid "T22D" and resid 39 and name HG2%) ASSI { 2027} (( segid "T22D" and resid 52 and name HA )) ( segid "T22D" and resid 51 and name HD1%) 4.200 2.200 1.800 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.84178E-03 ppm1 3.758 ppm2 0.550 CV 1 ASSI { 2029} (( segid "T22D" and resid 32 and name HA )) (( segid "T22D" and resid 36 and name HB2 )) 3.500 1.500 1.500 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.58157E-03 ppm1 4.664 ppm2 2.050 CV 1 ASSI { 2030} (( segid "T22D" and resid 32 and name HA )) ( segid "T22D" and resid 35 and name HG2%) 3.900 1.900 1.900 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.11412E-02 ppm1 4.667 ppm2 0.800 CV 1 ASSI { 2031} (( segid "T22D" and resid 32 and name HA )) (( segid "T22D" and resid 36 and name HB1 )) 3.600 1.700 1.700 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.12610E-02 ppm1 4.675 ppm2 1.785 CV 1 ASSI { 2032} (( segid "T22D" and resid 32 and name HA )) (( segid "T22D" and resid 31 and name HB2 )) 3.000 3.000 3.000 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.51680E-03 ppm1 4.668 ppm2 2.811 CV 1 ASSI { 2033} (( segid "T22D" and resid 32 and name HA )) ( segid "T22D" and resid 82 and name HG2%) 3.400 1.500 1.500 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.11431E-02 ppm1 4.674 ppm2 1.159 CV 1 ASSI { 2034} (( segid "T22D" and resid 32 and name HA )) (( segid "T22D" and resid 36 and name HG1 )) 4.800 2.900 1.200 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.46910E-03 ppm1 4.670 ppm2 0.949 CV 1 ASSI { 2035} (( segid "T22D" and resid 32 and name HA )) (( segid "T22D" and resid 33 and name HB1 )) 4.600 2.700 1.400 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.41739E-03 ppm1 4.670 ppm2 1.274 CV 1 OR { 2035} (( segid "T22D" and resid 32 and name HA )) (( segid "T22D" and resid 33 and name HG2 )) ASSI { 2036} (( segid "T22D" and resid 32 and name HA )) (( segid "T22D" and resid 36 and name HD1 )) 5.000 3.100 1.000 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.42035E-03 ppm1 4.677 ppm2 1.528 CV 1 ASSI { 2037} (( segid "T22D" and resid 100 and name HA )) ( segid "T22D" and resid 54 and name HE% ) 3.700 1.700 1.700 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.55725E-03 ppm1 3.765 ppm2 6.456 CV 1 ASSI { 2038} (( segid "T22D" and resid 107 and name HA )) (( segid "T22D" and resid 106 and name HB1 )) 3.600 1.600 1.600 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.79612E-03 ppm1 5.167 ppm2 2.797 CV 1 OR { 2038} (( segid "T22D" and resid 107 and name HA )) (( segid "T22D" and resid 106 and name HB2 )) ASSI { 2041} (( segid "T22D" and resid 35 and name HA )) ( segid "T22D" and resid 109 and name HD2%) 3.400 1.500 1.500 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.11390E-02 ppm1 4.411 ppm2 0.895 CV 1 ASSI { 2042} (( segid "T22D" and resid 61 and name HA )) ( segid "T22D" and resid 64 and name HB% ) 4.900 3.000 1.100 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.63795E-03 ppm1 4.112 ppm2 1.327 CV 1 ASSI { 2043} (( segid "T22D" and resid 61 and name HA )) ( segid "T22D" and resid 81 and name HG2%) 4.100 2.100 1.900 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.11908E-02 ppm1 4.115 ppm2 0.284 CV 1 ASSI { 2047} (( segid "T22D" and resid 61 and name HA )) (( segid "T22D" and resid 62 and name HB1 )) 4.500 2.600 1.500 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.10938E-02 ppm1 4.102 ppm2 1.706 CV 1 ASSI { 2049} (( segid "T22D" and resid 35 and name HA )) (( segid "T22D" and resid 35 and name HB )) 2.300 0.600 0.600 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.70388E-02 ppm1 4.413 ppm2 4.583 CV 1 ASSI { 2050} (( segid "T22D" and resid 61 and name HA )) ( segid "T22D" and resid 83 and name HE% ) 3.200 1.300 1.300 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.16590E-02 ppm1 4.116 ppm2 1.920 CV 1 ASSI { 2056} (( segid "T22D" and resid 35 and name HA )) (( segid "T22D" and resid 86 and name HA )) 2.900 1.000 1.000 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.22078E-02 ppm1 4.405 ppm2 4.068 CV 1 ASSI { 2058} (( segid "T22D" and resid 82 and name HA )) (( segid "T22D" and resid 35 and name HB )) 3.500 1.500 1.500 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.12719E-02 ppm1 5.247 ppm2 4.581 CV 1 ASSI { 2060} (( segid "T22D" and resid 82 and name HA )) (( segid "T22D" and resid 63 and name HB1 )) 4.300 2.300 1.700 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.57702E-03 ppm1 5.227 ppm2 1.995 CV 1 OR { 2060} (( segid "T22D" and resid 82 and name HA )) (( segid "T22D" and resid 63 and name HB2 )) ASSI { 2061} (( segid "T22D" and resid 82 and name HA )) (( segid "T22D" and resid 81 and name HB )) 3.100 3.100 2.900 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.50546E-03 ppm1 5.231 ppm2 1.069 CV 1 ASSI { 2062} (( segid "T22D" and resid 82 and name HA )) ( segid "T22D" and resid 81 and name HG1%) 3.600 1.700 1.700 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.54958E-03 ppm1 5.247 ppm2 0.526 CV 1 ASSI { 2064} (( segid "T22D" and resid 72 and name HA )) (( segid "T22D" and resid 74 and name HD2 )) 4.400 2.500 1.600 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.78403E-03 ppm1 4.367 ppm2 1.523 CV 1 OR { 2064} (( segid "T22D" and resid 72 and name HA )) (( segid "T22D" and resid 74 and name HD1 )) ASSI { 2065} (( segid "T22D" and resid 118 and name HA )) (( segid "T22D" and resid 118 and name HB )) 2.300 0.700 0.700 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.86272E-02 ppm1 4.342 ppm2 4.203 CV 1 ASSI { 2067} (( segid "T22D" and resid 82 and name HA )) (( segid "T22D" and resid 82 and name HB )) 3.100 1.200 1.200 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.13099E-02 ppm1 5.243 ppm2 3.915 CV 1 ASSI { 2071} (( segid "T22D" and resid 88 and name HA )) (( segid "T22D" and resid 91 and name HG1 )) 3.500 1.600 1.600 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.56906E-03 ppm1 4.355 ppm2 1.710 CV 1 ASSI { 2072} (( segid "T22D" and resid 37 and name HA )) (( segid "T22D" and resid 38 and name HB1 )) 4.700 2.800 1.300 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.60192E-03 ppm1 4.209 ppm2 2.631 CV 1 ASSI { 2073} (( segid "T22D" and resid 55 and name HA )) (( segid "T22D" and resid 55 and name HB2 )) 3.100 1.200 1.200 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.14105E-02 ppm1 4.310 ppm2 3.252 CV 1 ASSI { 2074} (( segid "T22D" and resid 37 and name HA )) (( segid "T22D" and resid 37 and name HG12)) 2.800 1.000 1.000 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.12575E-02 ppm1 4.196 ppm2 0.525 CV 1 ASSI { 2075} (( segid "T22D" and resid 55 and name HA )) ( segid "T22D" and resid 58 and name HD% ) 2.700 0.900 0.900 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.24598E-02 ppm1 4.312 ppm2 7.365 CV 1 ASSI { 2078} (( segid "T22D" and resid 55 and name HA )) ( segid "T22D" and resid 55 and name HD% ) 3.100 1.200 1.200 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.16670E-02 ppm1 4.308 ppm2 7.790 CV 1 ASSI { 2079} (( segid "T22D" and resid 88 and name HA )) (( segid "T22D" and resid 88 and name HB1 )) 2.500 0.800 0.800 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.35565E-02 ppm1 4.340 ppm2 3.861 CV 1 ASSI { 2080} (( segid "T22D" and resid 55 and name HA )) (( segid "T22D" and resid 55 and name HB1 )) 2.700 0.900 0.900 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.18570E-02 ppm1 4.311 ppm2 2.873 CV 1 ASSI { 2081} (( segid "T22D" and resid 55 and name HA )) ( segid "T22D" and resid 58 and name HE% ) 3.300 1.300 1.300 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.87410E-03 ppm1 4.302 ppm2 6.971 CV 1 ASSI { 2086} (( segid "T22D" and resid 88 and name HA )) (( segid "T22D" and resid 88 and name HB2 )) 2.900 1.100 1.100 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.28019E-02 ppm1 4.347 ppm2 4.060 CV 1 ASSI { 2091} (( segid "T22D" and resid 37 and name HA )) (( segid "T22D" and resid 37 and name HB )) 3.100 1.200 1.200 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.10650E-02 ppm1 4.200 ppm2 1.888 CV 1 ASSI { 2092} (( segid "T22D" and resid 37 and name HA )) (( segid "T22D" and resid 38 and name HB2 )) 4.200 2.200 1.800 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.96484E-03 ppm1 4.207 ppm2 2.795 CV 1 ASSI { 2096} (( segid "T22D" and resid 66 and name HA )) (( segid "T22D" and resid 66 and name HB )) 3.200 1.300 1.300 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.12702E-02 ppm1 3.745 ppm2 1.858 CV 1 ASSI { 2098} (( segid "T22D" and resid 54 and name HA )) (( segid "T22D" and resid 53 and name HB1 )) 2.900 2.900 3.100 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.31382E-02 ppm1 4.118 ppm2 2.092 CV 1 ASSI { 2100} (( segid "T22D" and resid 66 and name HA )) ( segid "T22D" and resid 66 and name HG1%) 2.600 0.900 0.900 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.35312E-02 ppm1 3.741 ppm2 0.717 CV 1 ASSI { 2103} (( segid "T22D" and resid 66 and name HA )) (( segid "T22D" and resid 42 and name HB1 )) 4.100 2.100 1.900 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.45579E-03 ppm1 3.738 ppm2 1.175 CV 1 ASSI { 2104} (( segid "T22D" and resid 66 and name HA )) (( segid "T22D" and resid 79 and name HA2 )) 3.000 1.100 1.100 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.19626E-02 ppm1 3.753 ppm2 3.949 CV 1 ASSI { 2109} (( segid "T22D" and resid 54 and name HA )) ( segid "T22D" and resid 54 and name HD% ) 3.300 1.400 1.400 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.13286E-02 ppm1 4.098 ppm2 6.361 CV 1 ASSI { 2110} (( segid "T22D" and resid 66 and name HA )) ( segid "T22D" and resid 51 and name HD1%) 3.100 1.200 1.200 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.12009E-02 ppm1 3.744 ppm2 0.559 CV 1 ASSI { 2111} (( segid "T22D" and resid 66 and name HA )) ( segid "T22D" and resid 42 and name HD1%) 3.800 1.800 1.800 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.75917E-03 ppm1 3.747 ppm2 0.453 CV 1 ASSI { 2114} (( segid "T22D" and resid 66 and name HA )) (( segid "T22D" and resid 67 and name HB )) 4.700 2.700 1.300 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.67514E-03 ppm1 3.753 ppm2 0.980 CV 1 ASSI { 2116} (( segid "T22D" and resid 98 and name HA )) (( segid "T22D" and resid 97 and name HA )) 3.700 1.700 1.700 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.55838E-03 ppm1 4.484 ppm2 6.044 CV 1 ASSI { 2118} (( segid "T22D" and resid 88 and name HB2 )) (( segid "T22D" and resid 83 and name HG1 )) 3.300 1.400 1.400 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.72798E-03 ppm1 4.052 ppm2 2.245 CV 1 ASSI { 2119} (( segid "T22D" and resid 88 and name HB1 )) (( segid "T22D" and resid 83 and name HG1 )) 3.800 1.800 1.800 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.45809E-03 ppm1 3.889 ppm2 2.239 CV 1 ASSI { 2121} (( segid "T22D" and resid 88 and name HB1 )) (( segid "T22D" and resid 59 and name HA1 )) 2.600 0.900 0.900 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.12762E-02 ppm1 3.873 ppm2 4.595 CV 1 ASSI { 2123} (( segid "T22D" and resid 88 and name HB2 )) (( segid "T22D" and resid 83 and name HB1 )) 2.700 0.900 0.900 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.13197E-02 ppm1 4.059 ppm2 2.558 CV 1 ASSI { 2125} (( segid "T22D" and resid 88 and name HB1 )) (( segid "T22D" and resid 88 and name HB2 )) 1.900 0.500 0.500 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.62068E-02 ppm1 3.865 ppm2 4.056 CV 1 ASSI { 2126} (( segid "T22D" and resid 88 and name HB1 )) (( segid "T22D" and resid 83 and name HB1 )) 3.500 1.500 1.500 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.10115E-02 ppm1 3.872 ppm2 2.558 CV 1 ASSI { 2130} (( segid "T22D" and resid 98 and name HA )) (( segid "T22D" and resid 98 and name HD1 )) 3.500 1.500 1.500 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.95296E-03 ppm1 4.441 ppm2 3.600 CV 1 ASSI { 2132} (( segid "T22D" and resid 98 and name HA )) (( segid "T22D" and resid 99 and name HG11)) 5.700 4.100 0.300 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.46605E-03 ppm1 4.473 ppm2 1.465 CV 1 ASSI { 2133} (( segid "T22D" and resid 98 and name HA )) (( segid "T22D" and resid 98 and name HB2 )) 2.600 0.900 0.900 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.44950E-02 ppm1 4.468 ppm2 1.576 CV 1 ASSI { 2134} (( segid "T22D" and resid 98 and name HA )) (( segid "T22D" and resid 98 and name HB1 )) 2.400 0.700 0.700 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.43015E-02 ppm1 4.469 ppm2 2.126 CV 1 ASSI { 2140} (( segid "T22D" and resid 116 and name HA )) ( segid "T22D" and resid 118 and name HG2%) 3.800 1.800 1.800 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.68795E-03 ppm1 4.383 ppm2 1.177 CV 1 ASSI { 2141} (( segid "T22D" and resid 116 and name HA )) (( segid "T22D" and resid 116 and name HD1 )) 3.600 1.600 1.600 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.83127E-03 ppm1 4.392 ppm2 3.795 CV 1 ASSI { 2142} (( segid "T22D" and resid 98 and name HA )) ( segid "T22D" and resid 99 and name HD1%) 4.800 2.900 1.200 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.39690E-03 ppm1 4.444 ppm2 0.701 CV 1 ASSI { 2144} (( segid "T22D" and resid 96 and name HA )) ( segid "T22D" and resid 107 and name HG2%) 3.400 1.400 1.400 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.18516E-02 ppm1 4.696 ppm2 1.052 CV 1 OR { 2144} (( segid "T22D" and resid 96 and name HA )) ( segid "T22D" and resid 107 and name HG1%) ASSI { 2147} (( segid "T22D" and resid 96 and name HA )) (( segid "T22D" and resid 96 and name HG2 )) 3.700 1.700 1.700 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.18062E-02 ppm1 4.703 ppm2 2.088 CV 1 OR { 2147} (( segid "T22D" and resid 96 and name HA )) (( segid "T22D" and resid 96 and name HG1 )) ASSI { 2149} (( segid "T22D" and resid 29 and name HB2 )) (( segid "T22D" and resid 29 and name HA )) 2.100 0.600 0.600 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.16972E-01 ppm1 3.861 ppm2 4.415 CV 1 OR { 2149} (( segid "T22D" and resid 29 and name HB1 )) (( segid "T22D" and resid 29 and name HA )) ASSI { 2150} (( segid "T22D" and resid 75 and name HB1 )) ( segid "T22D" and resid 66 and name HG1%) 3.400 1.400 1.400 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.86584E-03 ppm1 4.032 ppm2 0.716 CV 1 ASSI { 2152} (( segid "T22D" and resid 75 and name HB2 )) (( segid "T22D" and resid 44 and name HB2 )) 5.000 3.100 1.000 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.43127E-03 ppm1 4.224 ppm2 2.832 CV 1 ASSI { 2153} (( segid "T22D" and resid 75 and name HB1 )) (( segid "T22D" and resid 44 and name HB1 )) 3.700 1.700 1.700 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.69061E-03 ppm1 4.021 ppm2 3.255 CV 1 ASSI { 2154} (( segid "T22D" and resid 75 and name HB2 )) (( segid "T22D" and resid 44 and name HB1 )) 3.600 1.600 1.600 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.57856E-03 ppm1 4.215 ppm2 3.261 CV 1 ASSI { 2155} (( segid "T22D" and resid 75 and name HB2 )) ( segid "T22D" and resid 68 and name HG2%) 3.600 1.700 1.700 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.15250E-02 ppm1 4.214 ppm2 0.965 CV 1 ASSI { 2156} (( segid "T22D" and resid 75 and name HB1 )) (( segid "T22D" and resid 75 and name HB2 )) 1.900 0.500 0.500 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.81505E-02 ppm1 4.026 ppm2 4.218 CV 1 ASSI { 2160} (( segid "T22D" and resid 75 and name HB1 )) ( segid "T22D" and resid 44 and name HD% ) 3.400 1.500 1.500 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.12127E-02 ppm1 4.027 ppm2 6.826 CV 1 ASSI { 2161} (( segid "T22D" and resid 75 and name HB2 )) ( segid "T22D" and resid 44 and name HD% ) 3.700 1.700 1.700 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.72252E-03 ppm1 4.213 ppm2 6.815 CV 1 ASSI { 2162} (( segid "T22D" and resid 50 and name HA )) (( segid "T22D" and resid 49 and name HB2 )) 3.000 3.000 3.000 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.50955E-03 ppm1 4.194 ppm2 1.907 CV 1 ASSI { 2163} (( segid "T22D" and resid 50 and name HA )) (( segid "T22D" and resid 53 and name HB1 )) 3.400 1.400 1.400 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.28095E-02 ppm1 4.175 ppm2 2.061 CV 1 ASSI { 2167} (( segid "T22D" and resid 50 and name HA )) (( segid "T22D" and resid 50 and name HB )) 2.400 0.700 0.700 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.68482E-02 ppm1 4.176 ppm2 4.488 CV 1 ASSI { 2170} (( segid "T22D" and resid 46 and name HA )) (( segid "T22D" and resid 45 and name HD2 )) 2.800 2.800 3.200 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.89387E-03 ppm1 4.024 ppm2 7.121 CV 1 ASSI { 2171} (( segid "T22D" and resid 46 and name HA )) (( segid "T22D" and resid 46 and name HB )) 2.700 0.900 0.900 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.34733E-02 ppm1 4.019 ppm2 3.738 CV 1 ASSI { 2172} (( segid "T22D" and resid 46 and name HA )) (( segid "T22D" and resid 43 and name HG1 )) 4.900 3.000 1.100 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.47243E-03 ppm1 4.033 ppm2 2.232 CV 1 ASSI { 2174} (( segid "T22D" and resid 46 and name HA )) (( segid "T22D" and resid 50 and name HB )) 3.800 1.800 1.800 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.94266E-03 ppm1 4.034 ppm2 4.487 CV 1 ASSI { 2176} (( segid "T22D" and resid 50 and name HB )) (( segid "T22D" and resid 49 and name HA )) 2.800 2.800 3.200 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.77518E-02 ppm1 4.486 ppm2 4.178 CV 1 ASSI { 2180} (( segid "T22D" and resid 46 and name HB )) (( segid "T22D" and resid 43 and name HB2 )) 4.200 2.200 1.800 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.61576E-03 ppm1 3.726 ppm2 1.621 CV 1 ASSI { 2181} (( segid "T22D" and resid 47 and name HB1 )) (( segid "T22D" and resid 47 and name HB2 )) 1.800 0.400 0.400 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.12075E-01 ppm1 3.987 ppm2 4.433 CV 1 ASSI { 2185} (( segid "T22D" and resid 46 and name HB )) ( segid "T22D" and resid 42 and name HD2%) 3.700 1.700 1.700 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.93832E-03 ppm1 3.737 ppm2 0.666 CV 1 ASSI { 2186} (( segid "T22D" and resid 46 and name HB )) (( segid "T22D" and resid 42 and name HB2 )) 3.800 1.800 1.800 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.14113E-02 ppm1 3.742 ppm2 0.942 CV 1 ASSI { 2189} (( segid "T22D" and resid 46 and name HB )) ( segid "T22D" and resid 66 and name HG2%) 3.300 1.400 1.400 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.93273E-03 ppm1 3.748 ppm2 0.595 CV 1 ASSI { 2190} (( segid "T22D" and resid 32 and name HB )) (( segid "T22D" and resid 36 and name HB2 )) 2.500 0.800 0.800 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.21795E-02 ppm1 4.636 ppm2 2.047 CV 1 ASSI { 2191} (( segid "T22D" and resid 32 and name HB )) ( segid "T22D" and resid 32 and name HG2%) 2.100 0.500 0.500 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.12747E-01 ppm1 4.638 ppm2 1.071 CV 1 ASSI { 2192} (( segid "T22D" and resid 32 and name HB )) (( segid "T22D" and resid 36 and name HB1 )) 2.500 0.800 0.800 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.33453E-02 ppm1 4.638 ppm2 1.783 CV 1 ASSI { 2193} (( segid "T22D" and resid 32 and name HB )) (( segid "T22D" and resid 36 and name HD1 )) 3.200 1.300 1.300 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.88740E-03 ppm1 4.631 ppm2 1.508 CV 1 ASSI { 2194} (( segid "T22D" and resid 32 and name HB )) ( segid "T22D" and resid 82 and name HG2%) 3.300 3.300 2.700 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.25849E-02 ppm1 4.631 ppm2 1.158 CV 1 ASSI { 2195} (( segid "T22D" and resid 32 and name HB )) (( segid "T22D" and resid 36 and name HG1 )) 4.500 2.500 1.500 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.50742E-03 ppm1 4.640 ppm2 0.979 CV 1 ASSI { 2196} (( segid "T22D" and resid 32 and name HB )) (( segid "T22D" and resid 36 and name HD2 )) 3.200 1.300 1.300 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.76714E-03 ppm1 4.635 ppm2 1.614 CV 1 ASSI { 2197} (( segid "T22D" and resid 82 and name HB )) (( segid "T22D" and resid 62 and name HA )) 4.200 2.300 1.800 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.10554E-02 ppm1 3.907 ppm2 4.411 CV 1 ASSI { 2198} (( segid "T22D" and resid 82 and name HB )) (( segid "T22D" and resid 63 and name HA )) 4.100 2.100 1.900 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.75750E-03 ppm1 3.914 ppm2 4.532 CV 1 ASSI { 2199} (( segid "T22D" and resid 82 and name HB )) (( segid "T22D" and resid 61 and name HG12)) 4.200 2.200 1.800 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.52227E-03 ppm1 3.917 ppm2 0.934 CV 1 ASSI { 2200} (( segid "T22D" and resid 82 and name HB )) ( segid "T22D" and resid 61 and name HG2%) 4.400 2.400 1.600 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.52790E-03 ppm1 3.907 ppm2 0.588 CV 1 ASSI { 2201} (( segid "T22D" and resid 82 and name HB )) ( segid "T22D" and resid 81 and name HG1%) 4.200 2.200 1.800 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.56347E-03 ppm1 3.903 ppm2 0.525 CV 1 ASSI { 2203} (( segid "T22D" and resid 82 and name HB )) ( segid "T22D" and resid 32 and name HG2%) 2.800 2.800 3.200 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.78248E-03 ppm1 3.924 ppm2 1.068 CV 1 ASSI { 2206} (( segid "T22D" and resid 82 and name HB )) (( segid "T22D" and resid 63 and name HB1 )) 2.700 0.900 0.900 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.21376E-02 ppm1 3.916 ppm2 1.979 CV 1 ASSI { 2207} (( segid "T22D" and resid 82 and name HB )) (( segid "T22D" and resid 63 and name HB2 )) 3.400 1.500 1.500 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.27182E-02 ppm1 3.910 ppm2 2.106 CV 1 ASSI { 2210} (( segid "T22D" and resid 35 and name HB )) (( segid "T22D" and resid 83 and name HB2 )) 3.300 1.400 1.400 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.10865E-02 ppm1 4.581 ppm2 1.995 CV 1 ASSI { 2217} (( segid "T22D" and resid 72 and name HB )) (( segid "T22D" and resid 72 and name HA )) 2.000 0.500 0.500 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.18311E-01 ppm1 4.330 ppm2 4.366 CV 1 ASSI { 2219} (( segid "T22D" and resid 72 and name HB )) (( segid "T22D" and resid 74 and name HE2 )) 4.300 2.300 1.700 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.41180E-03 ppm1 4.317 ppm2 2.847 CV 1 ASSI { 2221} (( segid "T22D" and resid 72 and name HB )) (( segid "T22D" and resid 74 and name HB2 )) 4.500 2.500 1.500 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.52093E-03 ppm1 4.322 ppm2 1.773 CV 1 ASSI { 2222} (( segid "T22D" and resid 72 and name HB )) (( segid "T22D" and resid 74 and name HG1 )) 2.600 0.800 0.800 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.26429E-02 ppm1 4.324 ppm2 1.380 CV 1 OR { 2222} (( segid "T22D" and resid 72 and name HB )) (( segid "T22D" and resid 74 and name HG2 )) ASSI { 2223} (( segid "T22D" and resid 72 and name HB )) (( segid "T22D" and resid 73 and name HG1 )) 4.400 2.400 1.600 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.42202E-03 ppm1 4.337 ppm2 2.295 CV 1 OR { 2223} (( segid "T22D" and resid 72 and name HB )) (( segid "T22D" and resid 73 and name HG2 )) ASSI { 2224} (( segid "T22D" and resid 72 and name HB )) (( segid "T22D" and resid 74 and name HB1 )) 4.500 2.500 1.500 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.13998E-02 ppm1 4.318 ppm2 1.575 CV 1 ASSI { 2225} (( segid "T22D" and resid 72 and name HB )) (( segid "T22D" and resid 74 and name HE1 )) 4.400 2.400 1.600 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.39881E-03 ppm1 4.311 ppm2 2.729 CV 1 ASSI { 2226} (( segid "T22D" and resid 68 and name HB )) (( segid "T22D" and resid 76 and name HG2 )) 5.100 3.200 0.900 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.43261E-03 ppm1 3.661 ppm2 1.499 CV 1 ASSI { 2227} (( segid "T22D" and resid 68 and name HB )) (( segid "T22D" and resid 69 and name HB1 )) 4.300 2.300 1.700 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.53098E-03 ppm1 3.663 ppm2 2.492 CV 1 ASSI { 2228} (( segid "T22D" and resid 68 and name HB )) (( segid "T22D" and resid 75 and name HA )) 3.400 1.400 1.400 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.19909E-02 ppm1 3.673 ppm2 4.182 CV 1 ASSI { 2231} (( segid "T22D" and resid 68 and name HB )) (( segid "T22D" and resid 73 and name HG2 )) 4.300 2.300 1.700 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.94445E-03 ppm1 3.668 ppm2 2.291 CV 1 OR { 2231} (( segid "T22D" and resid 68 and name HB )) (( segid "T22D" and resid 73 and name HG1 )) ASSI { 2234} ( segid "T22D" and resid 44 and name HE% ) (( segid "T22D" and resid 77 and name HA1 )) 3.200 1.200 1.200 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.10882E-02 ppm1 6.019 ppm2 3.238 CV 1 ASSI { 2236} ( segid "T22D" and resid 44 and name HE% ) (( segid "T22D" and resid 77 and name HA2 )) 3.300 1.400 1.400 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.15775E-02 ppm1 6.015 ppm2 4.249 CV 1 ASSI { 2237} ( segid "T22D" and resid 44 and name HE% ) (( segid "3T5T" and resid 1 and name H1' )) 3.500 1.500 1.500 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.86597E-03 ppm1 6.028 ppm2 6.171 CV 1 ASSI { 2239} ( segid "T22D" and resid 44 and name HE% ) ( segid "T22D" and resid 78 and name HE% ) 3.800 3.800 2.200 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.74854E-03 ppm1 6.020 ppm2 6.611 CV 1 ASSI { 2242} ( segid "T22D" and resid 44 and name HE% ) (( segid "T22D" and resid 44 and name HB2 )) 4.600 2.600 1.400 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.57156E-03 ppm1 6.024 ppm2 2.810 CV 1 ASSI { 2245} ( segid "T22D" and resid 54 and name HE% ) ( segid "T22D" and resid 58 and name HE% ) 3.400 1.400 1.400 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.10526E-02 ppm1 6.448 ppm2 6.962 CV 1 ASSI { 2248} ( segid "T22D" and resid 54 and name HE% ) ( segid "T22D" and resid 54 and name HD% ) 2.700 0.900 0.900 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.26293E-02 ppm1 6.457 ppm2 6.351 CV 1 ASSI { 2249} ( segid "T22D" and resid 54 and name HE% ) ( segid "T22D" and resid 55 and name HE% ) 3.800 1.800 1.800 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.80304E-03 ppm1 6.444 ppm2 7.301 CV 1 ASSI { 2252} ( segid "T22D" and resid 54 and name HE% ) (( segid "T22D" and resid 98 and name HB1 )) 3.700 1.700 1.700 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.53353E-03 ppm1 6.456 ppm2 2.120 CV 1 ASSI { 2253} ( segid "T22D" and resid 54 and name HE% ) (( segid "T22D" and resid 92 and name HA )) 4.600 2.700 1.400 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.29863E-03 ppm1 6.451 ppm2 1.931 CV 1 ASSI { 2255} ( segid "T22D" and resid 54 and name HE% ) (( segid "T22D" and resid 98 and name HG1 )) 4.500 2.500 1.500 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.29444E-03 ppm1 6.437 ppm2 1.995 CV 1 OR { 2255} ( segid "T22D" and resid 54 and name HE% ) (( segid "T22D" and resid 98 and name HG2 )) ASSI { 2257} ( segid "T22D" and resid 54 and name HE% ) (( segid "T22D" and resid 98 and name HA )) 4.900 3.000 1.100 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.43386E-03 ppm1 6.435 ppm2 4.468 CV 1 ASSI { 2258} ( segid "T22D" and resid 54 and name HE% ) (( segid "T22D" and resid 55 and name HZ )) 4.100 2.100 1.900 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.43820E-03 ppm1 6.437 ppm2 7.193 CV 1 ASSI { 2259} ( segid "T22D" and resid 54 and name HE% ) ( segid "T22D" and resid 55 and name HD% ) 4.500 2.500 1.500 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.47160E-03 ppm1 6.428 ppm2 7.772 CV 1 ASSI { 2261} ( segid "T22D" and resid 54 and name HE% ) (( segid "T22D" and resid 54 and name HA )) 4.200 2.200 1.800 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.61726E-03 ppm1 6.441 ppm2 4.096 CV 1 ASSI { 2263} ( segid "T22D" and resid 78 and name HE% ) ( segid "T22D" and resid 78 and name HD% ) 3.400 1.400 1.400 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.66017E-03 ppm1 6.613 ppm2 6.378 CV 1 ASSI { 2264} ( segid "T22D" and resid 78 and name HE% ) (( segid "T22D" and resid 76 and name HB1 )) 3.100 1.200 1.200 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.94787E-03 ppm1 6.606 ppm2 1.350 CV 1 ASSI { 2266} ( segid "T22D" and resid 78 and name HE% ) (( segid "3T5T" and resid 4 and name H1' )) 3.000 3.000 3.000 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.57519E-03 ppm1 6.611 ppm2 6.280 CV 1 ASSI { 2268} ( segid "T22D" and resid 78 and name HE% ) ( segid "T22D" and resid 67 and name HD1%) 5.000 3.100 1.000 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.54082E-03 ppm1 6.620 ppm2 0.765 CV 1 ASSI { 2272} ( segid "T22D" and resid 111 and name HE% ) (( segid "T22D" and resid 112 and name HB1 )) 4.200 2.200 1.800 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.13371E-02 ppm1 6.723 ppm2 1.485 CV 1 ASSI { 2275} ( segid "T22D" and resid 111 and name HE% ) (( segid "T22D" and resid 109 and name HB2 )) 2.800 1.000 1.000 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.17640E-02 ppm1 6.721 ppm2 1.889 CV 1 ASSI { 2276} ( segid "T22D" and resid 111 and name HE% ) (( segid "T22D" and resid 109 and name HB1 )) 3.000 1.100 1.100 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.19891E-02 ppm1 6.728 ppm2 1.798 CV 1 ASSI { 2277} ( segid "T22D" and resid 111 and name HE% ) ( segid "T22D" and resid 34 and name HE% ) 3.300 1.400 1.400 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.14396E-02 ppm1 6.717 ppm2 7.305 CV 1 ASSI { 2280} ( segid "T22D" and resid 111 and name HE% ) (( segid "T22D" and resid 34 and name HA )) 3.500 1.500 1.500 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.21266E-02 ppm1 6.709 ppm2 4.968 CV 1 ASSI { 2281} ( segid "T22D" and resid 111 and name HE% ) ( segid "T22D" and resid 111 and name HD% ) 1.900 0.500 0.500 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.17944E-01 ppm1 6.727 ppm2 7.096 CV 1 ASSI { 2282} ( segid "T22D" and resid 111 and name HE% ) ( segid "T22D" and resid 34 and name HD% ) 2.500 2.500 3.500 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.17631E-02 ppm1 6.727 ppm2 7.235 CV 1 ASSI { 2292} (( segid "T22D" and resid 45 and name HD2 )) (( segid "T22D" and resid 45 and name HB2 )) 3.400 1.500 1.500 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.79099E-03 ppm1 7.118 ppm2 3.436 CV 1 ASSI { 2299} (( segid "T22D" and resid 38 and name HZ )) ( segid "T22D" and resid 38 and name HE% ) 3.300 1.400 1.400 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.80179E-03 ppm1 5.403 ppm2 6.381 CV 1 ASSI { 2301} (( segid "T22D" and resid 38 and name HZ )) ( segid "T22D" and resid 38 and name HD% ) 4.800 2.900 1.200 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.30720E-03 ppm1 5.389 ppm2 6.706 CV 1 ASSI { 2302} (( segid "T22D" and resid 38 and name HZ )) (( segid "3T5T" and resid 4 and name H8 )) 4.300 2.300 1.700 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.36017E-03 ppm1 5.364 ppm2 7.837 CV 1 ASSI { 2305} (( segid "T22D" and resid 38 and name HZ )) (( segid "3T5T" and resid 5 and name H73 )) 4.500 2.500 1.500 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.57418E-03 ppm1 5.416 ppm2 1.150 CV 1 OR { 2305} (( segid "T22D" and resid 38 and name HZ )) (( segid "3T5T" and resid 5 and name H72 )) OR { 2305} (( segid "T22D" and resid 38 and name HZ )) (( segid "3T5T" and resid 5 and name H71 )) ASSI { 2306} (( segid "T22D" and resid 80 and name HZ )) (( segid "3T5T" and resid 6 and name H5'')) 4.600 2.700 1.400 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.44358E-03 ppm1 7.299 ppm2 4.243 CV 1 ASSI { 2307} (( segid "T22D" and resid 80 and name HZ )) ( segid "T22D" and resid 78 and name HD% ) 3.300 3.300 2.700 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.34118E-03 ppm1 7.305 ppm2 6.368 CV 1 ASSI { 2308} (( segid "T22D" and resid 80 and name HZ )) (( segid "3T5T" and resid 5 and name H1' )) 2.100 0.600 0.600 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.29866E-02 ppm1 7.309 ppm2 6.572 CV 1 ASSI { 2309} (( segid "T22D" and resid 80 and name HZ )) ( segid "T22D" and resid 80 and name HE% ) 2.600 0.900 0.900 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.20000E-02 ppm1 7.308 ppm2 7.146 CV 1 ASSI { 2310} (( segid "T22D" and resid 80 and name HZ )) ( segid "T22D" and resid 78 and name HE% ) 3.600 1.600 1.600 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.95821E-03 ppm1 7.308 ppm2 6.628 CV 1 ASSI { 2312} (( segid "T22D" and resid 80 and name HZ )) ( segid "T22D" and resid 38 and name HD% ) 3.800 1.800 1.800 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.35472E-03 ppm1 7.313 ppm2 6.675 CV 1 ASSI { 2313} (( segid "T22D" and resid 80 and name HZ )) (( segid "3T5T" and resid 6 and name H5' )) 3.900 1.900 1.900 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.44454E-03 ppm1 7.304 ppm2 4.423 CV 1 ASSI { 2314} (( segid "T22D" and resid 80 and name HZ )) (( segid "3T5T" and resid 5 and name H4' )) 3.700 1.700 1.700 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.93336E-03 ppm1 7.301 ppm2 4.595 CV 1 ASSI { 2315} (( segid "T22D" and resid 80 and name HZ )) (( segid "T22D" and resid 67 and name HG11)) 4.700 2.700 1.300 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.33378E-03 ppm1 7.292 ppm2 1.341 CV 1 OR { 2315} (( segid "T22D" and resid 80 and name HZ )) (( segid "T22D" and resid 67 and name HG12)) ASSI { 2316} (( segid "T22D" and resid 80 and name HZ )) (( segid "3T5T" and resid 5 and name H2' )) 5.900 4.400 0.100 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.28910E-03 ppm1 7.292 ppm2 2.115 CV 1 ASSI { 2317} (( segid "T22D" and resid 80 and name HZ )) (( segid "T22D" and resid 38 and name HB1 )) 5.500 3.800 0.500 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.27565E-03 ppm1 7.306 ppm2 2.629 CV 1 ASSI { 2320} (( segid "T22D" and resid 55 and name HZ )) ( segid "T22D" and resid 55 and name HD% ) 4.000 2.000 2.000 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.60767E-03 ppm1 7.159 ppm2 7.785 CV 1 ASSI { 2321} (( segid "T22D" and resid 55 and name HZ )) ( segid "T22D" and resid 55 and name HE% ) 2.000 0.500 0.500 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.96238E-02 ppm1 7.195 ppm2 7.308 CV 1 ASSI { 2322} (( segid "T22D" and resid 55 and name HZ )) ( segid "T22D" and resid 39 and name HG1%) 2.700 0.900 0.900 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.16108E-02 ppm1 7.173 ppm2 0.678 CV 1 ASSI { 2326} ( segid "T22D" and resid 80 and name HE% ) ( segid "T22D" and resid 80 and name HD% ) 2.600 0.900 0.900 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.25311E-02 ppm1 7.151 ppm2 6.584 CV 1 ASSI { 2328} (( segid "T22D" and resid 58 and name HZ )) ( segid "T22D" and resid 92 and name HB% ) 4.000 2.000 2.000 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.63065E-03 ppm1 7.302 ppm2 1.427 CV 1 ASSI { 2334} ( segid "T22D" and resid 80 and name HE% ) (( segid "T22D" and resid 80 and name HB2 )) 4.700 2.700 1.300 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.44829E-03 ppm1 7.156 ppm2 2.768 CV 1 ASSI { 2338} ( segid "T22D" and resid 80 and name HE% ) (( segid "3T5T" and resid 6 and name H5'')) 4.400 2.400 1.600 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.76551E-03 ppm1 7.145 ppm2 4.245 CV 1 ASSI { 2339} ( segid "T22D" and resid 80 and name HE% ) (( segid "T22D" and resid 110 and name HA )) 4.300 2.300 1.700 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.57110E-03 ppm1 7.145 ppm2 4.125 CV 1 ASSI { 2340} ( segid "T22D" and resid 80 and name HE% ) (( segid "3T5T" and resid 6 and name H5' )) 3.300 1.400 1.400 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.61242E-03 ppm1 7.134 ppm2 4.424 CV 1 ASSI { 2341} ( segid "T22D" and resid 80 and name HE% ) ( segid "T22D" and resid 78 and name HE% ) 3.300 1.400 1.400 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.11424E-02 ppm1 7.141 ppm2 6.660 CV 1 ASSI { 2344} ( segid "T22D" and resid 80 and name HE% ) (( segid "T22D" and resid 37 and name HA )) 4.600 2.600 1.400 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.40711E-03 ppm1 7.140 ppm2 4.212 CV 1 ASSI { 2346} ( segid "T22D" and resid 80 and name HE% ) (( segid "3T5T" and resid 5 and name H4' )) 3.200 1.300 1.300 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.14694E-02 ppm1 7.138 ppm2 4.607 CV 1 ASSI { 2347} ( segid "T22D" and resid 80 and name HE% ) (( segid "3T5T" and resid 6 and name H4' )) 3.700 1.700 1.700 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.12820E-02 ppm1 7.138 ppm2 4.582 CV 1 ASSI { 2349} ( segid "T22D" and resid 80 and name HE% ) ( segid "T22D" and resid 67 and name HD1%) 3.800 1.800 1.800 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.11491E-02 ppm1 7.148 ppm2 0.763 CV 1 ASSI { 2351} (( segid "T22D" and resid 58 and name HZ )) ( segid "T22D" and resid 58 and name HE% ) 2.600 0.900 0.900 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.34722E-02 ppm1 7.272 ppm2 6.966 CV 1 ASSI { 2352} (( segid "T22D" and resid 58 and name HZ )) ( segid "T22D" and resid 54 and name HE% ) 3.700 1.700 1.700 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.48903E-03 ppm1 7.274 ppm2 6.450 CV 1 ASSI { 2354} ( segid "T22D" and resid 38 and name HE% ) (( segid "3T5T" and resid 4 and name H1' )) 4.200 2.300 1.800 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.38711E-03 ppm1 6.403 ppm2 6.284 CV 1 ASSI { 2355} ( segid "T22D" and resid 38 and name HE% ) (( segid "3T5T" and resid 5 and name H1' )) 4.300 2.300 1.700 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.28030E-03 ppm1 6.417 ppm2 6.597 CV 1 ASSI { 2358} ( segid "T22D" and resid 38 and name HD% ) (( segid "3T5T" and resid 5 and name H72 )) 4.000 2.000 2.000 peak 2358 spectrum 1 weight 0.10000E+01 volume 0.45062E-03 ppm1 6.692 ppm2 1.165 CV 1 OR { 2358} ( segid "T22D" and resid 38 and name HD% ) (( segid "3T5T" and resid 5 and name H73 )) OR { 2358} ( segid "T22D" and resid 38 and name HD% ) (( segid "3T5T" and resid 5 and name H71 )) ASSI { 2362} ( segid "T22D" and resid 38 and name HE% ) (( segid "T22D" and resid 79 and name HA1 )) 4.700 2.800 1.300 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.34494E-03 ppm1 6.380 ppm2 3.800 CV 1 ASSI { 2363} ( segid "T22D" and resid 38 and name HE% ) (( segid "3T5T" and resid 6 and name H5' )) 4.100 2.100 1.900 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.39402E-03 ppm1 6.367 ppm2 4.427 CV 1 ASSI { 2364} ( segid "T22D" and resid 38 and name HE% ) (( segid "T22D" and resid 39 and name HA )) 4.200 2.200 1.800 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.37752E-03 ppm1 6.358 ppm2 4.382 CV 1 ASSI { 2365} ( segid "T22D" and resid 80 and name HD% ) (( segid "T22D" and resid 38 and name HA )) 3.100 1.200 1.200 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.10679E-02 ppm1 6.598 ppm2 4.589 CV 1 ASSI { 2368} ( segid "T22D" and resid 80 and name HD% ) (( segid "3T5T" and resid 6 and name H5' )) 4.300 2.300 1.700 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.54554E-03 ppm1 6.607 ppm2 4.428 CV 1 ASSI { 2369} ( segid "T22D" and resid 80 and name HD% ) (( segid "T22D" and resid 36 and name HG2 )) 3.700 1.700 1.700 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.32595E-03 ppm1 6.600 ppm2 1.377 CV 1 ASSI { 2373} ( segid "T22D" and resid 80 and name HD% ) ( segid "T22D" and resid 65 and name HG2%) 3.400 1.500 1.500 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.17129E-02 ppm1 6.591 ppm2 0.937 CV 1 ASSI { 2374} ( segid "T22D" and resid 80 and name HD% ) (( segid "T22D" and resid 80 and name HB2 )) 2.800 1.000 1.000 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.19857E-02 ppm1 6.600 ppm2 2.780 CV 1 ASSI { 2375} ( segid "T22D" and resid 80 and name HD% ) (( segid "T22D" and resid 110 and name HA )) 4.500 2.500 1.500 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.54107E-03 ppm1 6.599 ppm2 4.130 CV 1 ASSI { 2376} ( segid "T22D" and resid 55 and name HE% ) (( segid "T22D" and resid 51 and name HB1 )) 3.300 1.400 1.400 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.10542E-02 ppm1 7.316 ppm2 1.926 CV 1 ASSI { 2380} ( segid "T22D" and resid 38 and name HD% ) (( segid "3T5T" and resid 5 and name H1' )) 3.200 1.300 1.300 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.22259E-02 ppm1 6.675 ppm2 6.595 CV 1 ASSI { 2382} ( segid "T22D" and resid 38 and name HD% ) ( segid "T22D" and resid 38 and name HE% ) 3.100 1.200 1.200 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.11583E-02 ppm1 6.661 ppm2 6.392 CV 1 ASSI { 2388} ( segid "T22D" and resid 55 and name HE% ) ( segid "T22D" and resid 55 and name HD% ) 2.500 0.800 0.800 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.28320E-02 ppm1 7.308 ppm2 7.781 CV 1 ASSI { 2393} ( segid "T22D" and resid 44 and name HD% ) (( segid "T22D" and resid 44 and name HA )) 2.400 0.700 0.700 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.42856E-02 ppm1 6.822 ppm2 4.236 CV 1 ASSI { 2394} ( segid "T22D" and resid 44 and name HD% ) (( segid "T22D" and resid 45 and name HD2 )) 2.900 2.900 3.100 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.66551E-03 ppm1 6.835 ppm2 7.083 CV 1 ASSI { 2398} ( segid "T22D" and resid 58 and name HD% ) (( segid "T22D" and resid 55 and name HB2 )) 4.800 2.800 1.200 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.45154E-03 ppm1 7.340 ppm2 3.258 CV 1 ASSI { 2400} ( segid "T22D" and resid 58 and name HD% ) ( segid "T22D" and resid 58 and name HE% ) 3.000 1.200 1.200 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.13779E-02 ppm1 7.364 ppm2 6.968 CV 1 ASSI { 2409} ( segid "T22D" and resid 55 and name HD% ) ( segid "T22D" and resid 58 and name HD% ) 3.600 1.700 1.700 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.83724E-03 ppm1 7.772 ppm2 7.370 CV 1 ASSI { 2414} ( segid "T22D" and resid 55 and name HD% ) ( segid "T22D" and resid 37 and name HD1%) 3.200 1.300 1.300 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.87214E-03 ppm1 7.780 ppm2 0.693 CV 1 ASSI { 2416} ( segid "T22D" and resid 55 and name HD% ) ( segid "T22D" and resid 83 and name HE% ) 3.600 1.600 1.600 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.88786E-03 ppm1 7.766 ppm2 1.932 CV 1 ASSI { 2419} ( segid "T22D" and resid 55 and name HD% ) ( segid "T22D" and resid 54 and name HD% ) 4.100 2.100 1.900 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.34021E-03 ppm1 7.751 ppm2 6.340 CV 1 ASSI { 2425} ( segid "T22D" and resid 55 and name HD% ) (( segid "T22D" and resid 51 and name HA )) 3.300 1.400 1.400 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.62785E-03 ppm1 7.777 ppm2 4.139 CV 1 ASSI { 2427} ( segid "T22D" and resid 111 and name HD% ) (( segid "T22D" and resid 109 and name HG )) 5.300 3.500 0.700 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.44420E-03 ppm1 7.097 ppm2 2.078 CV 1 ASSI { 2435} ( segid "T22D" and resid 111 and name HD% ) (( segid "T22D" and resid 109 and name HB2 )) 3.500 1.500 1.500 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.13067E-02 ppm1 7.092 ppm2 1.892 CV 1 ASSI { 2439} ( segid "T22D" and resid 111 and name HD% ) ( segid "T22D" and resid 114 and name HB% ) 4.000 2.000 2.000 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.13292E-02 ppm1 7.097 ppm2 1.269 CV 1 ASSI { 9} (( segid "3T5T" and resid 1 and name H1' )) (( segid "3T5T" and resid 1 and name H3' )) 3.500 1.500 1.500 peak 9 spectrum 1 weight 0.10000E+01 volume 0.20954E-02 ppm1 6.162 ppm2 4.853 CV 1 ASSI { 10} (( segid "3T5T" and resid 1 and name H1' )) (( segid "3T5T" and resid 1 and name H4' )) 2.700 0.900 0.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.41047E-02 ppm1 6.162 ppm2 4.284 CV 1 ASSI { 12} (( segid "3T5T" and resid 1 and name H1' )) (( segid "3T5T" and resid 1 and name H8 )) 2.700 2.700 3.300 peak 12 spectrum 1 weight 0.10000E+01 volume 0.61726E-02 ppm1 6.160 ppm2 8.004 CV 1 ASSI { 31} (( segid "3T5T" and resid 1 and name H3' )) (( segid "3T5T" and resid 1 and name H4' )) 2.600 0.800 0.800 peak 31 spectrum 1 weight 0.10000E+01 volume 0.50288E-02 ppm1 4.854 ppm2 4.285 CV 1 ASSI { 33} (( segid "3T5T" and resid 1 and name H3' )) (( segid "3T5T" and resid 1 and name H5'')) 2.700 0.900 0.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.32254E-02 ppm1 4.855 ppm2 3.797 CV 1 ASSI { 34} (( segid "3T5T" and resid 1 and name H3' )) (( segid "3T5T" and resid 1 and name H8 )) 3.600 1.600 1.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.21919E-02 ppm1 4.860 ppm2 8.006 CV 1 ASSI { 38} (( segid "3T5T" and resid 1 and name H4' )) (( segid "3T5T" and resid 1 and name H5' )) 2.500 0.800 0.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.76292E-02 ppm1 4.285 ppm2 3.823 CV 1 ASSI { 41} (( segid "3T5T" and resid 1 and name H5' )) (( segid "3T5T" and resid 1 and name H1' )) 3.200 1.300 1.300 peak 41 spectrum 1 weight 0.10000E+01 volume 0.23258E-02 ppm1 3.805 ppm2 6.160 CV 1 ASSI { 44} (( segid "3T5T" and resid 1 and name H5' )) (( segid "3T5T" and resid 1 and name H3' )) 2.700 0.900 0.900 peak 44 spectrum 1 weight 0.10000E+01 volume 0.85788E-02 ppm1 3.809 ppm2 4.853 CV 1 ASSI { 45} (( segid "3T5T" and resid 1 and name H5' )) (( segid "3T5T" and resid 1 and name H8 )) 2.700 0.900 0.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.37539E-02 ppm1 3.808 ppm2 8.006 CV 1 ASSI { 46} (( segid "3T5T" and resid 1 and name H5'')) (( segid "3T5T" and resid 1 and name H4' )) 1.900 0.500 0.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.22728E-01 ppm1 3.812 ppm2 4.284 CV 1 ASSI { 51} (( segid "3T5T" and resid 1 and name H8 )) (( segid "3T5T" and resid 1 and name H4' )) 3.600 1.600 1.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.15624E-02 ppm1 8.013 ppm2 4.284 CV 1 ASSI { 54} (( segid "3T5T" and resid 2 and name H1' )) (( segid "3T5T" and resid 2 and name H2'')) 2.400 0.700 0.700 peak 54 spectrum 1 weight 0.10000E+01 volume 0.60354E-02 ppm1 6.193 ppm2 2.499 CV 1 ASSI { 55} (( segid "3T5T" and resid 2 and name H1' )) (( segid "3T5T" and resid 2 and name H3' )) 3.300 1.400 1.400 peak 55 spectrum 1 weight 0.10000E+01 volume 0.27768E-02 ppm1 6.186 ppm2 4.969 CV 1 ASSI { 58} (( segid "3T5T" and resid 2 and name H1' )) (( segid "3T5T" and resid 2 and name H8 )) 2.900 1.000 1.000 peak 58 spectrum 1 weight 0.10000E+01 volume 0.55454E-02 ppm1 6.188 ppm2 8.075 CV 1 ASSI { 59} (( segid "3T5T" and resid 2 and name H1' )) (( segid "3T5T" and resid 3 and name H5' )) 3.500 1.500 1.500 peak 59 spectrum 1 weight 0.10000E+01 volume 0.10963E-02 ppm1 6.179 ppm2 3.914 CV 1 ASSI { 61} (( segid "3T5T" and resid 2 and name H2' )) (( segid "3T5T" and resid 2 and name H1' )) 2.900 1.000 1.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.53553E-02 ppm1 2.775 ppm2 6.188 CV 1 ASSI { 62} (( segid "3T5T" and resid 2 and name H2' )) (( segid "3T5T" and resid 2 and name H2'')) 2.100 0.500 0.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.58761E-02 ppm1 2.773 ppm2 2.503 CV 1 ASSI { 63} (( segid "3T5T" and resid 2 and name H2' )) (( segid "3T5T" and resid 2 and name H3' )) 2.400 0.700 0.700 peak 63 spectrum 1 weight 0.10000E+01 volume 0.50208E-02 ppm1 2.775 ppm2 4.966 CV 1 ASSI { 66} (( segid "3T5T" and resid 2 and name H2' )) (( segid "3T5T" and resid 2 and name H8 )) 2.200 0.600 0.600 peak 66 spectrum 1 weight 0.10000E+01 volume 0.78094E-02 ppm1 2.775 ppm2 8.075 CV 1 ASSI { 67} (( segid "3T5T" and resid 2 and name H2' )) (( segid "3T5T" and resid 3 and name H5' )) 4.200 2.200 1.800 peak 67 spectrum 1 weight 0.10000E+01 volume 0.71730E-03 ppm1 2.774 ppm2 3.915 CV 1 ASSI { 68} (( segid "3T5T" and resid 2 and name H2' )) (( segid "3T5T" and resid 3 and name H72 )) 4.200 2.200 1.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.90037E-03 ppm1 2.764 ppm2 1.898 CV 1 OR { 68} (( segid "3T5T" and resid 2 and name H2' )) (( segid "3T5T" and resid 3 and name H71 )) OR { 68} (( segid "3T5T" and resid 2 and name H2' )) (( segid "3T5T" and resid 3 and name H73 )) ASSI { 71} (( segid "3T5T" and resid 2 and name H2'')) (( segid "3T5T" and resid 2 and name H3' )) 2.700 0.900 0.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.48895E-02 ppm1 2.502 ppm2 4.968 CV 1 ASSI { 73} (( segid "3T5T" and resid 2 and name H2'')) (( segid "3T5T" and resid 2 and name H8 )) 3.000 1.200 1.200 peak 73 spectrum 1 weight 0.10000E+01 volume 0.77423E-02 ppm1 2.501 ppm2 8.075 CV 1 ASSI { 74} (( segid "3T5T" and resid 2 and name H2'')) (( segid "3T5T" and resid 3 and name H5' )) 3.900 1.900 1.900 peak 74 spectrum 1 weight 0.10000E+01 volume 0.77998E-03 ppm1 2.522 ppm2 3.922 CV 1 ASSI { 75} (( segid "3T5T" and resid 2 and name H2'')) (( segid "3T5T" and resid 3 and name H71 )) 3.200 1.300 1.300 peak 75 spectrum 1 weight 0.10000E+01 volume 0.18500E-02 ppm1 2.505 ppm2 1.900 CV 1 OR { 75} (( segid "3T5T" and resid 2 and name H2'')) (( segid "3T5T" and resid 3 and name H72 )) OR { 75} (( segid "3T5T" and resid 2 and name H2'')) (( segid "3T5T" and resid 3 and name H73 )) ASSI { 82} (( segid "3T5T" and resid 2 and name H3' )) (( segid "3T5T" and resid 2 and name H8 )) 3.700 1.700 1.700 peak 82 spectrum 1 weight 0.10000E+01 volume 0.36471E-02 ppm1 4.971 ppm2 8.076 CV 1 ASSI { 83} (( segid "3T5T" and resid 2 and name H3' )) (( segid "3T5T" and resid 3 and name H5' )) 3.600 1.600 1.600 peak 83 spectrum 1 weight 0.10000E+01 volume 0.12485E-02 ppm1 4.970 ppm2 3.916 CV 1 ASSI { 84} (( segid "3T5T" and resid 2 and name H4' )) (( segid "3T5T" and resid 2 and name H1' )) 3.100 1.200 1.200 peak 84 spectrum 1 weight 0.10000E+01 volume 0.18358E-02 ppm1 4.122 ppm2 6.189 CV 1 ASSI { 85} (( segid "3T5T" and resid 2 and name H4' )) (( segid "3T5T" and resid 2 and name H2' )) 3.900 1.900 1.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.73786E-03 ppm1 4.142 ppm2 2.773 CV 1 ASSI { 86} (( segid "3T5T" and resid 2 and name H4' )) (( segid "3T5T" and resid 2 and name H3' )) 2.700 0.900 0.900 peak 86 spectrum 1 weight 0.10000E+01 volume 0.33987E-02 ppm1 4.126 ppm2 4.966 CV 1 ASSI { 88} (( segid "3T5T" and resid 2 and name H4' )) (( segid "3T5T" and resid 2 and name H8 )) 4.100 2.200 1.900 peak 88 spectrum 1 weight 0.10000E+01 volume 0.87272E-03 ppm1 4.118 ppm2 8.076 CV 1 ASSI { 89} (( segid "3T5T" and resid 2 and name H4' )) (( segid "3T5T" and resid 3 and name H2' )) 3.700 1.700 1.700 peak 89 spectrum 1 weight 0.10000E+01 volume 0.10195E-02 ppm1 4.112 ppm2 2.024 CV 1 ASSI { 90} (( segid "3T5T" and resid 2 and name H4' )) (( segid "3T5T" and resid 3 and name H72 )) 3.500 1.500 1.500 peak 90 spectrum 1 weight 0.10000E+01 volume 0.13264E-02 ppm1 4.111 ppm2 1.898 CV 1 OR { 90} (( segid "3T5T" and resid 2 and name H4' )) (( segid "3T5T" and resid 3 and name H71 )) OR { 90} (( segid "3T5T" and resid 2 and name H4' )) (( segid "3T5T" and resid 3 and name H73 )) ASSI { 110} (( segid "3T5T" and resid 3 and name H1' )) (( segid "3T5T" and resid 3 and name H3' )) 3.900 1.900 1.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.10779E-02 ppm1 6.054 ppm2 4.793 CV 1 ASSI { 111} (( segid "3T5T" and resid 3 and name H1' )) (( segid "3T5T" and resid 3 and name H4' )) 2.900 1.000 1.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.27728E-02 ppm1 6.071 ppm2 4.219 CV 1 ASSI { 113} (( segid "3T5T" and resid 3 and name H1' )) (( segid "3T5T" and resid 3 and name H6 )) 3.000 1.100 1.100 peak 113 spectrum 1 weight 0.10000E+01 volume 0.23301E-02 ppm1 6.071 ppm2 7.324 CV 1 ASSI { 114} (( segid "3T5T" and resid 3 and name H1' )) (( segid "3T5T" and resid 4 and name H3' )) 4.100 2.100 1.900 peak 114 spectrum 1 weight 0.10000E+01 volume 0.64883E-03 ppm1 6.069 ppm2 5.352 CV 1 ASSI { 116} (( segid "3T5T" and resid 3 and name H2' )) (( segid "3T5T" and resid 3 and name H1' )) 3.400 1.400 1.400 peak 116 spectrum 1 weight 0.10000E+01 volume 0.22978E-02 ppm1 2.009 ppm2 6.073 CV 1 ASSI { 117} (( segid "3T5T" and resid 3 and name H2' )) (( segid "3T5T" and resid 3 and name H2'')) 2.700 0.900 0.900 peak 117 spectrum 1 weight 0.10000E+01 volume 0.14954E-02 ppm1 2.007 ppm2 2.715 CV 1 ASSI { 118} (( segid "3T5T" and resid 3 and name H2' )) (( segid "3T5T" and resid 3 and name H4' )) 3.500 1.500 1.500 peak 118 spectrum 1 weight 0.10000E+01 volume 0.15033E-02 ppm1 2.021 ppm2 4.213 CV 1 ASSI { 119} (( segid "3T5T" and resid 3 and name H2' )) (( segid "3T5T" and resid 3 and name H5'')) 3.500 1.600 1.600 peak 119 spectrum 1 weight 0.10000E+01 volume 0.10993E-02 ppm1 2.015 ppm2 3.921 CV 1 OR { 119} (( segid "3T5T" and resid 3 and name H2' )) (( segid "3T5T" and resid 3 and name H5' )) ASSI { 120} (( segid "3T5T" and resid 3 and name H2' )) (( segid "3T5T" and resid 3 and name H6 )) 2.800 1.000 1.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.28183E-02 ppm1 2.014 ppm2 7.324 CV 1 ASSI { 121} (( segid "3T5T" and resid 3 and name H2'')) (( segid "3T5T" and resid 3 and name H1' )) 2.900 1.100 1.100 peak 121 spectrum 1 weight 0.10000E+01 volume 0.19264E-02 ppm1 2.705 ppm2 6.068 CV 1 ASSI { 123} (( segid "3T5T" and resid 3 and name H2'')) (( segid "3T5T" and resid 3 and name H5'')) 4.300 2.300 1.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.10786E-02 ppm1 2.738 ppm2 3.913 CV 1 OR { 123} (( segid "3T5T" and resid 3 and name H2'')) (( segid "3T5T" and resid 3 and name H5' )) ASSI { 124} (( segid "3T5T" and resid 3 and name H2'')) (( segid "3T5T" and resid 3 and name H6 )) 3.700 1.700 1.700 peak 124 spectrum 1 weight 0.10000E+01 volume 0.18651E-02 ppm1 2.711 ppm2 7.324 CV 1 ASSI { 125} (( segid "3T5T" and resid 3 and name H2'')) (( segid "3T5T" and resid 3 and name H72 )) 2.700 2.700 3.300 peak 125 spectrum 1 weight 0.10000E+01 volume 0.95287E-03 ppm1 2.719 ppm2 1.898 CV 1 OR { 125} (( segid "3T5T" and resid 3 and name H2'')) (( segid "3T5T" and resid 3 and name H71 )) OR { 125} (( segid "3T5T" and resid 3 and name H2'')) (( segid "3T5T" and resid 3 and name H73 )) ASSI { 126} (( segid "3T5T" and resid 3 and name H3' )) (( segid "3T5T" and resid 3 and name H4' )) 3.500 1.500 1.500 peak 126 spectrum 1 weight 0.10000E+01 volume 0.80150E-03 ppm1 4.806 ppm2 4.216 CV 1 ASSI { 127} (( segid "3T5T" and resid 3 and name H3' )) (( segid "3T5T" and resid 3 and name H5'')) 3.200 1.200 1.200 peak 127 spectrum 1 weight 0.10000E+01 volume 0.16050E-02 ppm1 4.807 ppm2 3.919 CV 1 OR { 127} (( segid "3T5T" and resid 3 and name H3' )) (( segid "3T5T" and resid 3 and name H5' )) ASSI { 130} (( segid "3T5T" and resid 3 and name H4' )) (( segid "3T5T" and resid 3 and name H2'')) 4.000 2.000 2.000 peak 130 spectrum 1 weight 0.10000E+01 volume 0.83974E-03 ppm1 4.226 ppm2 2.714 CV 1 ASSI { 132} (( segid "3T5T" and resid 3 and name H4' )) (( segid "3T5T" and resid 4 and name H1' )) 3.200 3.200 2.800 peak 132 spectrum 1 weight 0.10000E+01 volume 0.17146E-02 ppm1 4.206 ppm2 6.269 CV 1 ASSI { 133} (( segid "3T5T" and resid 3 and name H4' )) (( segid "3T5T" and resid 4 and name H3' )) 3.400 3.400 2.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.24966E-02 ppm1 4.237 ppm2 5.359 CV 1 ASSI { 134} (( segid "3T5T" and resid 3 and name H5' )) (( segid "3T5T" and resid 2 and name H3' )) 3.700 1.700 1.700 peak 134 spectrum 1 weight 0.10000E+01 volume 0.95317E-03 ppm1 3.908 ppm2 4.968 CV 1 OR { 134} (( segid "3T5T" and resid 3 and name H5'')) (( segid "3T5T" and resid 2 and name H3' )) ASSI { 135} (( segid "3T5T" and resid 3 and name H5' )) (( segid "3T5T" and resid 3 and name H1' )) 3.900 1.900 1.900 peak 135 spectrum 1 weight 0.10000E+01 volume 0.10043E-02 ppm1 3.924 ppm2 6.072 CV 1 OR { 135} (( segid "3T5T" and resid 3 and name H5'')) (( segid "3T5T" and resid 3 and name H1' )) ASSI { 138} (( segid "3T5T" and resid 3 and name H5'')) (( segid "3T5T" and resid 3 and name H4' )) 2.300 0.600 0.600 peak 138 spectrum 1 weight 0.10000E+01 volume 0.10003E-01 ppm1 3.916 ppm2 4.213 CV 1 OR { 138} (( segid "3T5T" and resid 3 and name H5' )) (( segid "3T5T" and resid 3 and name H4' )) ASSI { 139} (( segid "3T5T" and resid 3 and name H5' )) (( segid "3T5T" and resid 3 and name H6 )) 3.100 1.200 1.200 peak 139 spectrum 1 weight 0.10000E+01 volume 0.18174E-02 ppm1 3.922 ppm2 7.324 CV 1 OR { 139} (( segid "3T5T" and resid 3 and name H5'')) (( segid "3T5T" and resid 3 and name H6 )) ASSI { 140} (( segid "3T5T" and resid 3 and name H5' )) (( segid "3T5T" and resid 3 and name H72 )) 4.100 2.100 1.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.69941E-03 ppm1 3.922 ppm2 1.894 CV 1 OR { 140} (( segid "3T5T" and resid 3 and name H5' )) (( segid "3T5T" and resid 3 and name H71 )) OR { 140} (( segid "3T5T" and resid 3 and name H5' )) (( segid "3T5T" and resid 3 and name H73 )) OR { 140} (( segid "3T5T" and resid 3 and name H5'')) (( segid "3T5T" and resid 3 and name H72 )) OR { 140} (( segid "3T5T" and resid 3 and name H5'')) (( segid "3T5T" and resid 3 and name H71 )) OR { 140} (( segid "3T5T" and resid 3 and name H5'')) (( segid "3T5T" and resid 3 and name H73 )) ASSI { 144} (( segid "3T5T" and resid 3 and name H6 )) (( segid "3T5T" and resid 3 and name H4' )) 3.500 1.600 1.600 peak 144 spectrum 1 weight 0.10000E+01 volume 0.11697E-02 ppm1 7.326 ppm2 4.214 CV 1 ASSI { 146} (( segid "3T5T" and resid 3 and name H6 )) (( segid "3T5T" and resid 3 and name H72 )) 2.600 0.800 0.800 peak 146 spectrum 1 weight 0.10000E+01 volume 0.61155E-02 ppm1 7.322 ppm2 1.897 CV 1 OR { 146} (( segid "3T5T" and resid 3 and name H6 )) (( segid "3T5T" and resid 3 and name H71 )) OR { 146} (( segid "3T5T" and resid 3 and name H6 )) (( segid "3T5T" and resid 3 and name H73 )) ASSI { 147} (( segid "3T5T" and resid 3 and name H72 )) (( segid "3T5T" and resid 2 and name H1' )) 2.700 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.50137E-02 ppm1 1.898 ppm2 6.187 CV 1 OR { 147} (( segid "3T5T" and resid 3 and name H71 )) (( segid "3T5T" and resid 2 and name H1' )) OR { 147} (( segid "3T5T" and resid 3 and name H73 )) (( segid "3T5T" and resid 2 and name H1' )) ASSI { 151} (( segid "3T5T" and resid 3 and name H72 )) (( segid "3T5T" and resid 2 and name H8 )) 2.800 2.800 3.200 peak 151 spectrum 1 weight 0.10000E+01 volume 0.84495E-03 ppm1 1.893 ppm2 8.075 CV 1 OR { 151} (( segid "3T5T" and resid 3 and name H71 )) (( segid "3T5T" and resid 2 and name H8 )) OR { 151} (( segid "3T5T" and resid 3 and name H73 )) (( segid "3T5T" and resid 2 and name H8 )) ASSI { 152} (( segid "3T5T" and resid 3 and name H72 )) (( segid "3T5T" and resid 3 and name H1' )) 2.600 2.600 3.400 peak 152 spectrum 1 weight 0.10000E+01 volume 0.13545E-02 ppm1 1.899 ppm2 6.074 CV 1 OR { 152} (( segid "3T5T" and resid 3 and name H73 )) (( segid "3T5T" and resid 3 and name H1' )) OR { 152} (( segid "3T5T" and resid 3 and name H71 )) (( segid "3T5T" and resid 3 and name H1' )) ASSI { 153} (( segid "3T5T" and resid 3 and name H72 )) (( segid "3T5T" and resid 3 and name H2' )) 2.700 2.700 3.300 peak 153 spectrum 1 weight 0.10000E+01 volume 0.11788E-02 ppm1 1.898 ppm2 2.017 CV 1 OR { 153} (( segid "3T5T" and resid 3 and name H71 )) (( segid "3T5T" and resid 3 and name H2' )) OR { 153} (( segid "3T5T" and resid 3 and name H73 )) (( segid "3T5T" and resid 3 and name H2' )) ASSI { 155} (( segid "3T5T" and resid 3 and name H72 )) (( segid "3T5T" and resid 3 and name H4' )) 2.800 2.800 3.200 peak 155 spectrum 1 weight 0.10000E+01 volume 0.89533E-03 ppm1 1.905 ppm2 4.215 CV 1 OR { 155} (( segid "3T5T" and resid 3 and name H71 )) (( segid "3T5T" and resid 3 and name H4' )) OR { 155} (( segid "3T5T" and resid 3 and name H73 )) (( segid "3T5T" and resid 3 and name H4' )) ASSI { 156} (( segid "3T5T" and resid 3 and name H72 )) (( segid "3T5T" and resid 3 and name H5' )) 2.800 2.800 3.200 peak 156 spectrum 1 weight 0.10000E+01 volume 0.82539E-03 ppm1 1.894 ppm2 3.914 CV 1 OR { 156} (( segid "3T5T" and resid 3 and name H71 )) (( segid "3T5T" and resid 3 and name H5' )) OR { 156} (( segid "3T5T" and resid 3 and name H73 )) (( segid "3T5T" and resid 3 and name H5' )) ASSI { 162} (( segid "3T5T" and resid 4 and name H1' )) (( segid "3T5T" and resid 4 and name H8 )) 2.600 0.900 0.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.40996E-02 ppm1 6.266 ppm2 7.840 CV 1 ASSI { 165} (( segid "3T5T" and resid 4 and name H2' )) (( segid "3T5T" and resid 4 and name H1' )) 3.300 1.300 1.300 peak 165 spectrum 1 weight 0.10000E+01 volume 0.20645E-02 ppm1 2.027 ppm2 6.267 CV 1 ASSI { 166} (( segid "3T5T" and resid 4 and name H2' )) (( segid "3T5T" and resid 4 and name H2'')) 2.600 0.800 0.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.12594E-02 ppm1 2.032 ppm2 2.258 CV 1 ASSI { 167} (( segid "3T5T" and resid 4 and name H2' )) (( segid "3T5T" and resid 4 and name H3' )) 2.900 1.100 1.100 peak 167 spectrum 1 weight 0.10000E+01 volume 0.14369E-02 ppm1 2.034 ppm2 5.356 CV 1 ASSI { 168} (( segid "3T5T" and resid 4 and name H2' )) (( segid "3T5T" and resid 4 and name H4' )) 3.700 1.700 1.700 peak 168 spectrum 1 weight 0.10000E+01 volume 0.11272E-02 ppm1 2.021 ppm2 4.158 CV 1 ASSI { 169} (( segid "3T5T" and resid 4 and name H2' )) (( segid "3T5T" and resid 4 and name H8 )) 3.800 1.800 1.800 peak 169 spectrum 1 weight 0.10000E+01 volume 0.13404E-02 ppm1 2.032 ppm2 7.841 CV 1 ASSI { 170} (( segid "3T5T" and resid 4 and name H2' )) (( segid "3T5T" and resid 5 and name H72 )) 3.400 1.400 1.400 peak 170 spectrum 1 weight 0.10000E+01 volume 0.77527E-03 ppm1 2.056 ppm2 1.143 CV 1 OR { 170} (( segid "3T5T" and resid 4 and name H2' )) (( segid "3T5T" and resid 5 and name H73 )) OR { 170} (( segid "3T5T" and resid 4 and name H2' )) (( segid "3T5T" and resid 5 and name H71 )) ASSI { 171} (( segid "3T5T" and resid 4 and name H2'')) (( segid "3T5T" and resid 4 and name H1' )) 2.600 0.800 0.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.28123E-02 ppm1 2.255 ppm2 6.267 CV 1 ASSI { 173} (( segid "3T5T" and resid 4 and name H2'')) (( segid "3T5T" and resid 4 and name H3' )) 3.200 1.300 1.300 peak 173 spectrum 1 weight 0.10000E+01 volume 0.14824E-02 ppm1 2.249 ppm2 5.359 CV 1 ASSI { 174} (( segid "3T5T" and resid 4 and name H2'')) (( segid "3T5T" and resid 4 and name H4' )) 3.400 1.500 1.500 peak 174 spectrum 1 weight 0.10000E+01 volume 0.14503E-02 ppm1 2.288 ppm2 4.154 CV 1 ASSI { 175} (( segid "3T5T" and resid 4 and name H2'')) (( segid "3T5T" and resid 4 and name H8 )) 3.600 1.600 1.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.15486E-02 ppm1 2.249 ppm2 7.843 CV 1 ASSI { 177} (( segid "3T5T" and resid 4 and name H2'')) (( segid "3T5T" and resid 5 and name H73 )) 3.800 1.800 1.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.71021E-03 ppm1 2.267 ppm2 1.146 CV 1 OR { 177} (( segid "3T5T" and resid 4 and name H2'')) (( segid "3T5T" and resid 5 and name H72 )) OR { 177} (( segid "3T5T" and resid 4 and name H2'')) (( segid "3T5T" and resid 5 and name H71 )) ASSI { 179} (( segid "3T5T" and resid 4 and name H3' )) (( segid "3T5T" and resid 4 and name H1' )) 3.600 1.600 1.600 peak 179 spectrum 1 weight 0.10000E+01 volume 0.13220E-02 ppm1 5.360 ppm2 6.267 CV 1 ASSI { 184} (( segid "3T5T" and resid 4 and name H4' )) (( segid "3T5T" and resid 3 and name H1' )) 3.200 1.300 1.300 peak 184 spectrum 1 weight 0.10000E+01 volume 0.15050E-02 ppm1 4.172 ppm2 6.064 CV 1 ASSI { 185} (( segid "3T5T" and resid 4 and name H4' )) (( segid "3T5T" and resid 3 and name H6 )) 3.700 3.700 2.300 peak 185 spectrum 1 weight 0.10000E+01 volume 0.87410E-03 ppm1 4.156 ppm2 7.324 CV 1 ASSI { 186} (( segid "3T5T" and resid 4 and name H4' )) (( segid "3T5T" and resid 4 and name H1' )) 3.000 1.100 1.100 peak 186 spectrum 1 weight 0.10000E+01 volume 0.18203E-02 ppm1 4.140 ppm2 6.264 CV 1 ASSI { 188} (( segid "3T5T" and resid 4 and name H4' )) (( segid "3T5T" and resid 4 and name H3' )) 3.100 1.200 1.200 peak 188 spectrum 1 weight 0.10000E+01 volume 0.18294E-02 ppm1 4.162 ppm2 5.364 CV 1 ASSI { 194} (( segid "3T5T" and resid 5 and name H1' )) (( segid "3T5T" and resid 5 and name H3' )) 3.400 1.400 1.400 peak 194 spectrum 1 weight 0.10000E+01 volume 0.16746E-02 ppm1 6.560 ppm2 5.119 CV 1 ASSI { 195} (( segid "3T5T" and resid 5 and name H1' )) (( segid "3T5T" and resid 5 and name H6 )) 3.000 1.100 1.100 peak 195 spectrum 1 weight 0.10000E+01 volume 0.16181E-02 ppm1 6.567 ppm2 7.123 CV 1 ASSI { 196} (( segid "3T5T" and resid 5 and name H2' )) (( segid "3T5T" and resid 5 and name H1' )) 3.000 1.100 1.100 peak 196 spectrum 1 weight 0.10000E+01 volume 0.28779E-02 ppm1 2.114 ppm2 6.561 CV 1 ASSI { 197} (( segid "3T5T" and resid 5 and name H2' )) (( segid "3T5T" and resid 5 and name H2'')) 2.300 0.700 0.700 peak 197 spectrum 1 weight 0.10000E+01 volume 0.29938E-02 ppm1 2.107 ppm2 2.438 CV 1 ASSI { 198} (( segid "3T5T" and resid 5 and name H2' )) (( segid "3T5T" and resid 5 and name H3' )) 2.700 0.900 0.900 peak 198 spectrum 1 weight 0.10000E+01 volume 0.28242E-02 ppm1 2.105 ppm2 5.120 CV 1 ASSI { 199} (( segid "3T5T" and resid 5 and name H2' )) (( segid "3T5T" and resid 5 and name H6 )) 2.700 0.900 0.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.29425E-02 ppm1 2.110 ppm2 7.120 CV 1 ASSI { 200} (( segid "3T5T" and resid 5 and name H2' )) (( segid "3T5T" and resid 5 and name H71 )) 2.600 2.600 3.400 peak 200 spectrum 1 weight 0.10000E+01 volume 0.14067E-02 ppm1 2.108 ppm2 1.144 CV 1 OR { 200} (( segid "3T5T" and resid 5 and name H2' )) (( segid "3T5T" and resid 5 and name H73 )) OR { 200} (( segid "3T5T" and resid 5 and name H2' )) (( segid "3T5T" and resid 5 and name H72 )) ASSI { 201} (( segid "3T5T" and resid 5 and name H2'')) (( segid "3T5T" and resid 5 and name H1' )) 2.400 0.700 0.700 peak 201 spectrum 1 weight 0.10000E+01 volume 0.35600E-02 ppm1 2.434 ppm2 6.563 CV 1 ASSI { 203} (( segid "3T5T" and resid 5 and name H2'')) (( segid "3T5T" and resid 5 and name H3' )) 2.900 1.000 1.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.29367E-02 ppm1 2.438 ppm2 5.123 CV 1 ASSI { 204} (( segid "3T5T" and resid 5 and name H2'')) (( segid "3T5T" and resid 5 and name H6 )) 3.600 1.700 1.700 peak 204 spectrum 1 weight 0.10000E+01 volume 0.25249E-02 ppm1 2.430 ppm2 7.120 CV 1 ASSI { 211} (( segid "3T5T" and resid 5 and name H3' )) (( segid "3T5T" and resid 5 and name H6 )) 3.600 1.600 1.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.20398E-02 ppm1 5.128 ppm2 7.121 CV 1 ASSI { 212} (( segid "3T5T" and resid 5 and name H4' )) (( segid "3T5T" and resid 5 and name H1' )) 3.100 1.200 1.200 peak 212 spectrum 1 weight 0.10000E+01 volume 0.12784E-02 ppm1 4.573 ppm2 6.562 CV 1 ASSI { 213} (( segid "3T5T" and resid 5 and name H4' )) (( segid "3T5T" and resid 5 and name H3' )) 2.800 1.000 1.000 peak 213 spectrum 1 weight 0.10000E+01 volume 0.29855E-02 ppm1 4.585 ppm2 5.120 CV 1 ASSI { 216} (( segid "3T5T" and resid 5 and name H4' )) (( segid "3T5T" and resid 5 and name H6 )) 3.700 1.700 1.700 peak 216 spectrum 1 weight 0.10000E+01 volume 0.92589E-03 ppm1 4.556 ppm2 7.120 CV 1 ASSI { 222} (( segid "3T5T" and resid 5 and name H5'')) (( segid "3T5T" and resid 5 and name H5' )) 2.400 0.700 0.700 peak 222 spectrum 1 weight 0.10000E+01 volume 0.24664E-02 ppm1 4.097 ppm2 3.017 CV 1 ASSI { 228} (( segid "3T5T" and resid 5 and name H6 )) (( segid "3T5T" and resid 4 and name H1' )) 3.000 3.000 3.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.60104E-03 ppm1 7.147 ppm2 6.269 CV 1 ASSI { 236} (( segid "3T5T" and resid 5 and name H72 )) (( segid "3T5T" and resid 4 and name H1' )) 3.100 1.200 1.200 peak 236 spectrum 1 weight 0.10000E+01 volume 0.49299E-03 ppm1 1.152 ppm2 6.273 CV 1 OR { 236} (( segid "3T5T" and resid 5 and name H73 )) (( segid "3T5T" and resid 4 and name H1' )) OR { 236} (( segid "3T5T" and resid 5 and name H71 )) (( segid "3T5T" and resid 4 and name H1' )) ASSI { 238} (( segid "3T5T" and resid 5 and name H73 )) (( segid "3T5T" and resid 4 and name H3' )) 3.500 1.500 1.500 peak 238 spectrum 1 weight 0.10000E+01 volume 0.10574E-02 ppm1 1.141 ppm2 5.366 CV 1 OR { 238} (( segid "3T5T" and resid 5 and name H72 )) (( segid "3T5T" and resid 4 and name H3' )) OR { 238} (( segid "3T5T" and resid 5 and name H71 )) (( segid "3T5T" and resid 4 and name H3' )) ASSI { 239} (( segid "3T5T" and resid 5 and name H72 )) (( segid "3T5T" and resid 4 and name H8 )) 2.800 2.800 3.200 peak 239 spectrum 1 weight 0.10000E+01 volume 0.90133E-03 ppm1 1.146 ppm2 7.833 CV 1 OR { 239} (( segid "3T5T" and resid 5 and name H73 )) (( segid "3T5T" and resid 4 and name H8 )) OR { 239} (( segid "3T5T" and resid 5 and name H71 )) (( segid "3T5T" and resid 4 and name H8 )) ASSI { 241} (( segid "3T5T" and resid 5 and name H71 )) (( segid "3T5T" and resid 5 and name H2'')) 2.700 2.700 3.300 peak 241 spectrum 1 weight 0.10000E+01 volume 0.96555E-03 ppm1 1.150 ppm2 2.437 CV 1 OR { 241} (( segid "3T5T" and resid 5 and name H73 )) (( segid "3T5T" and resid 5 and name H2'')) OR { 241} (( segid "3T5T" and resid 5 and name H72 )) (( segid "3T5T" and resid 5 and name H2'')) ASSI { 242} (( segid "3T5T" and resid 5 and name H71 )) (( segid "3T5T" and resid 5 and name H6 )) 2.400 0.700 0.700 peak 242 spectrum 1 weight 0.10000E+01 volume 0.90158E-02 ppm1 1.142 ppm2 7.121 CV 1 OR { 242} (( segid "3T5T" and resid 5 and name H73 )) (( segid "3T5T" and resid 5 and name H6 )) OR { 242} (( segid "3T5T" and resid 5 and name H72 )) (( segid "3T5T" and resid 5 and name H6 )) ASSI { 245} (( segid "3T5T" and resid 6 and name H1' )) (( segid "3T5T" and resid 6 and name H3' )) 3.200 1.300 1.300 peak 245 spectrum 1 weight 0.10000E+01 volume 0.32473E-02 ppm1 6.362 ppm2 5.024 CV 1 ASSI { 247} (( segid "3T5T" and resid 6 and name H1' )) (( segid "3T5T" and resid 6 and name H8 )) 3.100 1.200 1.200 peak 247 spectrum 1 weight 0.10000E+01 volume 0.33831E-02 ppm1 6.360 ppm2 7.795 CV 1 ASSI { 248} (( segid "3T5T" and resid 6 and name H2' )) (( segid "3T5T" and resid 6 and name H5' )) 3.700 1.700 1.700 peak 248 spectrum 1 weight 0.10000E+01 volume 0.10071E-02 ppm1 2.645 ppm2 4.418 CV 1 OR { 248} (( segid "3T5T" and resid 6 and name H2'')) (( segid "3T5T" and resid 6 and name H5' )) ASSI { 249} (( segid "3T5T" and resid 6 and name H2'')) (( segid "3T5T" and resid 7 and name H5'')) 3.800 1.800 1.800 peak 249 spectrum 1 weight 0.10000E+01 volume 0.88148E-03 ppm1 2.622 ppm2 4.155 CV 1 OR { 249} (( segid "3T5T" and resid 6 and name H2'')) (( segid "3T5T" and resid 7 and name H5' )) OR { 249} (( segid "3T5T" and resid 6 and name H2' )) (( segid "3T5T" and resid 7 and name H5'')) OR { 249} (( segid "3T5T" and resid 6 and name H2' )) (( segid "3T5T" and resid 7 and name H5' )) ASSI { 250} (( segid "3T5T" and resid 6 and name H2' )) (( segid "3T5T" and resid 6 and name H1' )) 2.900 1.100 1.100 peak 250 spectrum 1 weight 0.10000E+01 volume 0.48052E-02 ppm1 2.570 ppm2 6.363 CV 1 ASSI { 251} (( segid "3T5T" and resid 6 and name H2' )) (( segid "3T5T" and resid 6 and name H3' )) 2.400 0.700 0.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.54474E-02 ppm1 2.573 ppm2 5.025 CV 1 ASSI { 252} (( segid "3T5T" and resid 6 and name H2' )) (( segid "3T5T" and resid 6 and name H4' )) 3.200 1.300 1.300 peak 252 spectrum 1 weight 0.10000E+01 volume 0.22960E-02 ppm1 2.588 ppm2 4.553 CV 1 ASSI { 253} (( segid "3T5T" and resid 6 and name H2' )) (( segid "3T5T" and resid 6 and name H5' )) 3.500 1.500 1.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.11550E-02 ppm1 2.579 ppm2 4.411 CV 1 ASSI { 254} (( segid "3T5T" and resid 6 and name H2' )) (( segid "3T5T" and resid 6 and name H5'')) 3.300 1.400 1.400 peak 254 spectrum 1 weight 0.10000E+01 volume 0.18874E-02 ppm1 2.582 ppm2 4.239 CV 1 ASSI { 255} (( segid "3T5T" and resid 6 and name H2' )) (( segid "3T5T" and resid 6 and name H8 )) 2.300 0.700 0.700 peak 255 spectrum 1 weight 0.10000E+01 volume 0.65129E-02 ppm1 2.571 ppm2 7.794 CV 1 ASSI { 256} (( segid "3T5T" and resid 6 and name H2' )) (( segid "3T5T" and resid 7 and name H6 )) 3.800 1.800 1.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.83202E-03 ppm1 2.567 ppm2 7.899 CV 1 ASSI { 257} (( segid "3T5T" and resid 6 and name H2'')) (( segid "3T5T" and resid 6 and name H1' )) 2.300 0.700 0.700 peak 257 spectrum 1 weight 0.10000E+01 volume 0.70167E-02 ppm1 2.650 ppm2 6.363 CV 1 ASSI { 258} (( segid "3T5T" and resid 6 and name H2'')) (( segid "3T5T" and resid 6 and name H3' )) 2.600 0.800 0.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.60717E-02 ppm1 2.649 ppm2 5.024 CV 1 ASSI { 259} (( segid "3T5T" and resid 6 and name H2'')) (( segid "3T5T" and resid 6 and name H4' )) 3.300 1.400 1.400 peak 259 spectrum 1 weight 0.10000E+01 volume 0.19562E-02 ppm1 2.656 ppm2 4.550 CV 1 ASSI { 261} (( segid "3T5T" and resid 6 and name H2'')) (( segid "3T5T" and resid 6 and name H8 )) 3.400 1.400 1.400 peak 261 spectrum 1 weight 0.10000E+01 volume 0.64524E-02 ppm1 2.652 ppm2 7.795 CV 1 ASSI { 265} (( segid "3T5T" and resid 6 and name H3' )) (( segid "3T5T" and resid 6 and name H4' )) 2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.45371E-02 ppm1 5.028 ppm2 4.552 CV 1 ASSI { 268} (( segid "3T5T" and resid 6 and name H3' )) (( segid "3T5T" and resid 6 and name H8 )) 3.500 1.500 1.500 peak 268 spectrum 1 weight 0.10000E+01 volume 0.31250E-02 ppm1 5.027 ppm2 7.794 CV 1 ASSI { 270} (( segid "3T5T" and resid 6 and name H4' )) (( segid "3T5T" and resid 6 and name H1' )) 2.800 1.000 1.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.28950E-02 ppm1 4.560 ppm2 6.362 CV 1 ASSI { 274} (( segid "3T5T" and resid 6 and name H4' )) (( segid "3T5T" and resid 6 and name H5'')) 2.400 0.700 0.700 peak 274 spectrum 1 weight 0.10000E+01 volume 0.60659E-02 ppm1 4.551 ppm2 4.239 CV 1 ASSI { 275} (( segid "3T5T" and resid 6 and name H4' )) (( segid "3T5T" and resid 6 and name H8 )) 3.500 1.500 1.500 peak 275 spectrum 1 weight 0.10000E+01 volume 0.16734E-02 ppm1 4.551 ppm2 7.794 CV 1 ASSI { 276} (( segid "3T5T" and resid 6 and name H5' )) (( segid "3T5T" and resid 5 and name H3' )) 3.100 3.100 2.900 peak 276 spectrum 1 weight 0.10000E+01 volume 0.12710E-02 ppm1 4.425 ppm2 5.117 CV 1 ASSI { 277} (( segid "3T5T" and resid 6 and name H5' )) (( segid "3T5T" and resid 6 and name H3' )) 3.400 1.500 1.500 peak 277 spectrum 1 weight 0.10000E+01 volume 0.26331E-02 ppm1 4.417 ppm2 5.026 CV 1 ASSI { 278} (( segid "3T5T" and resid 6 and name H5' )) (( segid "3T5T" and resid 6 and name H4' )) 2.600 0.800 0.800 peak 278 spectrum 1 weight 0.10000E+01 volume 0.47031E-02 ppm1 4.426 ppm2 4.552 CV 1 ASSI { 279} (( segid "3T5T" and resid 6 and name H5' )) (( segid "3T5T" and resid 6 and name H5'')) 2.200 0.600 0.600 peak 279 spectrum 1 weight 0.10000E+01 volume 0.45388E-02 ppm1 4.419 ppm2 4.242 CV 1 ASSI { 280} (( segid "3T5T" and resid 6 and name H5' )) (( segid "3T5T" and resid 6 and name H8 )) 3.000 1.100 1.100 peak 280 spectrum 1 weight 0.10000E+01 volume 0.19133E-02 ppm1 4.415 ppm2 7.795 CV 1 ASSI { 281} (( segid "3T5T" and resid 6 and name H5'')) (( segid "3T5T" and resid 5 and name H3' )) 2.600 2.600 3.400 peak 281 spectrum 1 weight 0.10000E+01 volume 0.11922E-02 ppm1 4.225 ppm2 5.119 CV 1 ASSI { 283} (( segid "3T5T" and resid 6 and name H5'')) (( segid "3T5T" and resid 6 and name H2'')) 3.800 1.800 1.800 peak 283 spectrum 1 weight 0.10000E+01 volume 0.20105E-02 ppm1 4.233 ppm2 2.650 CV 1 ASSI { 284} (( segid "3T5T" and resid 6 and name H5'')) (( segid "3T5T" and resid 6 and name H3' )) 2.400 0.700 0.700 peak 284 spectrum 1 weight 0.10000E+01 volume 0.48390E-02 ppm1 4.234 ppm2 5.025 CV 1 ASSI { 287} (( segid "3T5T" and resid 6 and name H5'')) (( segid "3T5T" and resid 6 and name H8 )) 3.300 1.400 1.400 peak 287 spectrum 1 weight 0.10000E+01 volume 0.22940E-02 ppm1 4.234 ppm2 7.793 CV 1 ASSI { 299} (( segid "3T5T" and resid 7 and name H1' )) (( segid "3T5T" and resid 7 and name H5 )) 3.900 1.900 1.900 peak 299 spectrum 1 weight 0.10000E+01 volume 0.97906E-03 ppm1 6.356 ppm2 6.043 CV 1 ASSI { 300} (( segid "3T5T" and resid 7 and name H1' )) (( segid "3T5T" and resid 7 and name H6 )) 3.000 1.100 1.100 peak 300 spectrum 1 weight 0.10000E+01 volume 0.32921E-02 ppm1 6.356 ppm2 7.902 CV 1 ASSI { 301} (( segid "3T5T" and resid 7 and name H2' )) (( segid "3T5T" and resid 7 and name H1' )) 2.700 0.900 0.900 peak 301 spectrum 1 weight 0.10000E+01 volume 0.75504E-02 ppm1 2.315 ppm2 6.353 CV 1 ASSI { 302} (( segid "3T5T" and resid 7 and name H2' )) (( segid "3T5T" and resid 7 and name H2'')) 1.600 0.300 0.600 peak 302 spectrum 1 weight 0.10000E+01 volume 0.26731E-01 ppm1 2.312 ppm2 2.425 CV 1 ASSI { 303} (( segid "3T5T" and resid 7 and name H2' )) (( segid "3T5T" and resid 7 and name H3' )) 2.100 0.600 0.600 peak 303 spectrum 1 weight 0.10000E+01 volume 0.10610E-01 ppm1 2.316 ppm2 4.603 CV 1 ASSI { 304} (( segid "3T5T" and resid 7 and name H2' )) (( segid "3T5T" and resid 7 and name H4' )) 3.300 1.300 1.300 peak 304 spectrum 1 weight 0.10000E+01 volume 0.25738E-02 ppm1 2.312 ppm2 4.224 CV 1 ASSI { 305} (( segid "3T5T" and resid 7 and name H2' )) (( segid "3T5T" and resid 7 and name H5 )) 4.000 2.000 2.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.10535E-02 ppm1 2.321 ppm2 6.046 CV 1 ASSI { 306} (( segid "3T5T" and resid 7 and name H2' )) (( segid "3T5T" and resid 7 and name H6 )) 2.100 0.600 0.600 peak 306 spectrum 1 weight 0.10000E+01 volume 0.10726E-01 ppm1 2.316 ppm2 7.901 CV 1 ASSI { 307} (( segid "3T5T" and resid 7 and name H2'')) (( segid "3T5T" and resid 7 and name H1' )) 2.100 0.500 0.500 peak 307 spectrum 1 weight 0.10000E+01 volume 0.14889E-01 ppm1 2.430 ppm2 6.352 CV 1 ASSI { 309} (( segid "3T5T" and resid 7 and name H2'')) (( segid "3T5T" and resid 7 and name H3' )) 2.600 0.800 0.800 peak 309 spectrum 1 weight 0.10000E+01 volume 0.69491E-02 ppm1 2.427 ppm2 4.601 CV 1 ASSI { 310} (( segid "3T5T" and resid 7 and name H2'')) (( segid "3T5T" and resid 7 and name H4' )) 3.100 1.200 1.200 peak 310 spectrum 1 weight 0.10000E+01 volume 0.31505E-02 ppm1 2.427 ppm2 4.222 CV 1 ASSI { 311} (( segid "3T5T" and resid 7 and name H2'')) (( segid "3T5T" and resid 7 and name H6 )) 3.500 1.500 1.500 peak 311 spectrum 1 weight 0.10000E+01 volume 0.44349E-02 ppm1 2.426 ppm2 7.901 CV 1 ASSI { 312} (( segid "3T5T" and resid 7 and name H3' )) (( segid "3T5T" and resid 7 and name H1' )) 3.500 1.500 1.500 peak 312 spectrum 1 weight 0.10000E+01 volume 0.20852E-02 ppm1 4.600 ppm2 6.349 CV 1 ASSI { 315} (( segid "3T5T" and resid 7 and name H3' )) (( segid "3T5T" and resid 7 and name H4' )) 2.400 0.700 0.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.79408E-02 ppm1 4.595 ppm2 4.226 CV 1 ASSI { 317} (( segid "3T5T" and resid 7 and name H3' )) (( segid "3T5T" and resid 7 and name H6 )) 3.100 1.200 1.200 peak 317 spectrum 1 weight 0.10000E+01 volume 0.31924E-02 ppm1 4.596 ppm2 7.902 CV 1 ASSI { 318} (( segid "3T5T" and resid 7 and name H4' )) (( segid "3T5T" and resid 7 and name H1' )) 2.600 0.800 0.800 peak 318 spectrum 1 weight 0.10000E+01 volume 0.59203E-02 ppm1 4.232 ppm2 6.357 CV 1 ASSI { 322} (( segid "3T5T" and resid 7 and name H4' )) (( segid "3T5T" and resid 7 and name H6 )) 3.200 1.300 1.300 peak 322 spectrum 1 weight 0.10000E+01 volume 0.24537E-02 ppm1 4.238 ppm2 7.901 CV 1 ASSI { 324} (( segid "3T5T" and resid 7 and name H5'')) (( segid "3T5T" and resid 6 and name H2'')) 3.500 1.600 1.600 peak 324 spectrum 1 weight 0.10000E+01 volume 0.97218E-03 ppm1 4.142 ppm2 2.647 CV 1 OR { 324} (( segid "3T5T" and resid 7 and name H5' )) (( segid "3T5T" and resid 6 and name H2'')) ASSI { 325} (( segid "3T5T" and resid 7 and name H5'')) (( segid "3T5T" and resid 6 and name H3' )) 3.000 1.100 1.100 peak 325 spectrum 1 weight 0.10000E+01 volume 0.19976E-02 ppm1 4.140 ppm2 5.026 CV 1 OR { 325} (( segid "3T5T" and resid 7 and name H5' )) (( segid "3T5T" and resid 6 and name H3' )) ASSI { 326} (( segid "3T5T" and resid 7 and name H5' )) (( segid "3T5T" and resid 6 and name H4' )) 3.400 1.400 1.400 peak 326 spectrum 1 weight 0.10000E+01 volume 0.15644E-02 ppm1 4.148 ppm2 4.552 CV 1 OR { 326} (( segid "3T5T" and resid 7 and name H5'')) (( segid "3T5T" and resid 6 and name H4' )) ASSI { 327} (( segid "3T5T" and resid 7 and name H5'')) (( segid "3T5T" and resid 6 and name H8 )) 2.800 2.800 3.200 peak 327 spectrum 1 weight 0.10000E+01 volume 0.82235E-03 ppm1 4.151 ppm2 7.788 CV 1 OR { 327} (( segid "3T5T" and resid 7 and name H5' )) (( segid "3T5T" and resid 6 and name H8 )) ASSI { 328} (( segid "3T5T" and resid 7 and name H5'')) (( segid "3T5T" and resid 7 and name H1' )) 3.300 1.400 1.400 peak 328 spectrum 1 weight 0.10000E+01 volume 0.27477E-02 ppm1 4.174 ppm2 6.354 CV 1 OR { 328} (( segid "3T5T" and resid 7 and name H5' )) (( segid "3T5T" and resid 7 and name H1' )) ASSI { 329} (( segid "3T5T" and resid 7 and name H5'')) (( segid "3T5T" and resid 7 and name H2' )) 3.700 1.700 1.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.96042E-03 ppm1 4.138 ppm2 2.304 CV 1 OR { 329} (( segid "3T5T" and resid 7 and name H5' )) (( segid "3T5T" and resid 7 and name H2' )) ASSI { 330} (( segid "3T5T" and resid 7 and name H5'')) (( segid "3T5T" and resid 7 and name H3' )) 2.500 0.800 0.800 peak 330 spectrum 1 weight 0.10000E+01 volume 0.53670E-02 ppm1 4.142 ppm2 4.598 CV 1 OR { 330} (( segid "3T5T" and resid 7 and name H5' )) (( segid "3T5T" and resid 7 and name H3' )) ASSI { 331} (( segid "3T5T" and resid 7 and name H5'')) (( segid "3T5T" and resid 7 and name H6 )) 3.200 1.300 1.300 peak 331 spectrum 1 weight 0.10000E+01 volume 0.16023E-02 ppm1 4.155 ppm2 7.901 CV 1 OR { 331} (( segid "3T5T" and resid 7 and name H5' )) (( segid "3T5T" and resid 7 and name H6 )) ASSI { 332} (( segid "3T5T" and resid 7 and name H6 )) (( segid "3T5T" and resid 6 and name H3' )) 3.000 1.100 1.100 peak 332 spectrum 1 weight 0.10000E+01 volume 0.19940E-02 ppm1 7.902 ppm2 5.024 CV 1 ASSI { 338} (( segid "3T5T" and resid 7 and name H6 )) (( segid "3T5T" and resid 7 and name H5 )) 2.200 0.600 0.600 peak 338 spectrum 1 weight 0.10000E+01 volume 0.12048E-01 ppm1 7.901 ppm2 6.043 CV 1 ASSI { 3} ( segid "T22D" and resid 44 and name HE% ) (( segid "3T5T" and resid 1 and name H8 )) 3.700 1.700 1.700 peak 3 spectrum 1 weight 0.10000E+01 volume 0.70479E-03 ppm1 6.019 ppm2 8.012 CV 1 ASSI { 4} (( segid "T22D" and resid 41 and name HA1 )) (( segid "3T5T" and resid 3 and name H73 )) 3.600 1.600 1.600 peak 4 spectrum 1 weight 0.10000E+01 volume 0.21650E-02 ppm1 4.064 ppm2 1.909 CV 1 OR { 4} (( segid "T22D" and resid 41 and name HA1 )) (( segid "3T5T" and resid 3 and name H71 )) OR { 4} (( segid "T22D" and resid 41 and name HA1 )) (( segid "3T5T" and resid 3 and name H72 )) ASSI { 5} (( segid "T22D" and resid 41 and name HA2 )) (( segid "3T5T" and resid 3 and name H73 )) 2.900 1.000 1.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.21390E-02 ppm1 3.967 ppm2 1.906 CV 1 OR { 5} (( segid "T22D" and resid 41 and name HA2 )) (( segid "3T5T" and resid 3 and name H72 )) OR { 5} (( segid "T22D" and resid 41 and name HA2 )) (( segid "3T5T" and resid 3 and name H71 )) ASSI { 6} (( segid "T22D" and resid 38 and name HZ )) (( segid "3T5T" and resid 4 and name H1' )) 3.500 1.600 1.600 peak 6 spectrum 1 weight 0.10000E+01 volume 0.80892E-03 ppm1 5.386 ppm2 6.279 CV 1 ASSI { 7} (( segid "T22D" and resid 78 and name HB1 )) (( segid "3T5T" and resid 4 and name H1' )) 3.500 1.500 1.500 peak 7 spectrum 1 weight 0.10000E+01 volume 0.90596E-03 ppm1 2.426 ppm2 6.262 CV 1 ASSI { 10} ( segid "T22D" and resid 80 and name HE% ) (( segid "3T5T" and resid 5 and name H1' )) 3.200 1.300 1.300 peak 10 spectrum 1 weight 0.10000E+01 volume 0.33570E-02 ppm1 7.148 ppm2 6.574 CV 1 ASSI { 12} ( segid "T22D" and resid 38 and name HE% ) (( segid "3T5T" and resid 5 and name H6 )) 3.700 1.800 1.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.79107E-03 ppm1 6.399 ppm2 7.129 CV 1 ASSI { 13} (( segid "T22D" and resid 38 and name HZ )) (( segid "3T5T" and resid 5 and name H6 )) 3.600 1.600 1.600 peak 13 spectrum 1 weight 0.10000E+01 volume 0.89553E-03 ppm1 5.398 ppm2 7.124 CV 1 ASSI { 14} ( segid "T22D" and resid 38 and name HE% ) (( segid "3T5T" and resid 5 and name H72 )) 3.600 1.600 1.600 peak 14 spectrum 1 weight 0.10000E+01 volume 0.12943E-02 ppm1 6.400 ppm2 1.152 CV 1 OR { 14} ( segid "T22D" and resid 38 and name HE% ) (( segid "3T5T" and resid 5 and name H73 )) OR { 14} ( segid "T22D" and resid 38 and name HE% ) (( segid "3T5T" and resid 5 and name H71 )) ASSI { 18} ( segid "T22D" and resid 65 and name HG2%) (( segid "3T5T" and resid 6 and name H1' )) 3.400 1.500 1.500 peak 18 spectrum 1 weight 0.10000E+01 volume 0.12998E-02 ppm1 0.949 ppm2 6.369 CV 1 OR { 18} ( segid "T22D" and resid 65 and name HG1%) (( segid "3T5T" and resid 6 and name H1' )) ASSI { 21} ( segid "T22D" and resid 80 and name HD% ) (( segid "3T5T" and resid 6 and name H1' )) 3.600 1.600 1.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.12889E-02 ppm1 6.613 ppm2 6.368 CV 1 ASSI { 22} ( segid "T22D" and resid 80 and name HE% ) (( segid "3T5T" and resid 6 and name H1' )) 3.900 1.900 1.900 peak 22 spectrum 1 weight 0.10000E+01 volume 0.58594E-03 ppm1 7.165 ppm2 6.372 CV 1 ASSI { 23} (( segid "T22D" and resid 36 and name HE2 )) (( segid "3T5T" and resid 6 and name H8 )) 3.900 1.900 1.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.63019E-03 ppm1 2.253 ppm2 7.803 CV 1 ASSI { 24} ( segid "T22D" and resid 67 and name HD1%) (( segid "3T5T" and resid 6 and name H8 )) 3.500 1.500 1.500 peak 24 spectrum 1 weight 0.10000E+01 volume 0.10496E-02 ppm1 0.773 ppm2 7.804 CV 1 ASSI { 25} ( segid "T22D" and resid 80 and name HD% ) (( segid "3T5T" and resid 6 and name H8 )) 3.400 1.500 1.500 peak 25 spectrum 1 weight 0.10000E+01 volume 0.12140E-02 ppm1 6.597 ppm2 7.803 CV 1 ASSI { 26} ( segid "T22D" and resid 80 and name HE% ) (( segid "3T5T" and resid 6 and name H8 )) 3.000 1.100 1.100 peak 26 spectrum 1 weight 0.10000E+01 volume 0.18261E-02 ppm1 7.164 ppm2 7.802 CV 1 ASSI { 27} (( segid "T22D" and resid 80 and name HZ )) (( segid "3T5T" and resid 6 and name H8 )) 3.100 1.200 1.200 peak 27 spectrum 1 weight 0.10000E+01 volume 0.14451E-02 ppm1 7.305 ppm2 7.798 CV 1 ASSI { 12} (( segid "3T5T" and resid 5 and name H4' )) (( segid "T22D" and resid 78 and name HH )) 3.200 1.300 1.300 peak 12 spectrum 1 weight 0.10000E+01 volume 0.16371E-02 ppm1 4.575 ppm2 9.598 CV 1 ASSI { 14} (( segid "3T5T" and resid 5 and name H6 )) (( segid "3T5T" and resid 5 and name H3 )) 3.700 1.700 1.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.78019E-03 ppm1 7.121 ppm2 11.237 CV 1 ASSI { 15} (( segid "3T5T" and resid 6 and name H5' )) (( segid "T22D" and resid 78 and name HH )) 4.000 2.000 2.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.53474E-03 ppm1 4.455 ppm2 9.600 CV 1 ASSI { 16} (( segid "3T5T" and resid 6 and name H5'')) (( segid "T22D" and resid 78 and name HH )) 3.900 1.900 1.900 peak 16 spectrum 1 weight 0.10000E+01 volume 0.80033E-03 ppm1 4.216 ppm2 9.593 CV 1 ASSI { 17} (( segid "3T5T" and resid 6 and name H8 )) (( segid "3T5T" and resid 5 and name H1' )) 3.400 1.500 1.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.21349E-02 ppm1 7.796 ppm2 6.573 CV 1 ASSI { 22} (( segid "T22D" and resid 44 and name HB1 )) ( segid "T22D" and resid 44 and name HD% ) 2.600 0.800 0.800 peak 22 spectrum 1 weight 0.10000E+01 volume 0.74766E-02 ppm1 3.256 ppm2 6.803 CV 1 ASSI { 23} (( segid "T22D" and resid 44 and name HB2 )) ( segid "T22D" and resid 44 and name HD% ) 2.500 0.800 0.800 peak 23 spectrum 1 weight 0.10000E+01 volume 0.51881E-02 ppm1 2.822 ppm2 6.802 CV 1 ASSI { 25} ( segid "T22D" and resid 44 and name HE% ) ( segid "T22D" and resid 44 and name HD% ) 2.000 0.500 0.500 peak 25 spectrum 1 weight 0.10000E+01 volume 0.19016E-01 ppm1 5.995 ppm2 6.802 CV 1 ASSI { 26} ( segid "T22D" and resid 67 and name HG2%) (( segid "T22D" and resid 78 and name HH )) 3.800 1.800 1.800 peak 26 spectrum 1 weight 0.10000E+01 volume 0.13478E-02 ppm1 0.869 ppm2 9.593 CV 1 ASSI { 27} (( segid "T22D" and resid 76 and name HD1 )) (( segid "T22D" and resid 78 and name HH )) 3.500 1.600 1.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.58198E-03 ppm1 3.383 ppm2 9.606 CV 1 ASSI { 28} (( segid "T22D" and resid 76 and name HD2 )) (( segid "T22D" and resid 78 and name HH )) 4.700 2.700 1.300 peak 28 spectrum 1 weight 0.10000E+01 volume 0.50225E-03 ppm1 3.050 ppm2 9.606 CV 1 ASSI { 29} ( segid "T22D" and resid 78 and name HE% ) (( segid "T22D" and resid 78 and name HH )) 3.300 1.400 1.400 peak 29 spectrum 1 weight 0.10000E+01 volume 0.10571E-02 ppm1 6.601 ppm2 9.596 CV 1 ASSI { 31} (( segid "T22D" and resid 78 and name HH )) ( segid "T22D" and resid 80 and name HE% ) 4.200 2.200 1.800 peak 31 spectrum 1 weight 0.10000E+01 volume 0.62031E-03 ppm1 9.606 ppm2 7.132 CV 1 ASSI { 36} (( segid "T22D" and resid 111 and name HB1 )) ( segid "T22D" and resid 111 and name HE% ) 3.700 1.800 1.800 peak 36 spectrum 1 weight 0.10000E+01 volume 0.21624E-02 ppm1 2.933 ppm2 6.706 CV 1 ASSI { 37} (( segid "T22D" and resid 111 and name HB2 )) ( segid "T22D" and resid 111 and name HE% ) 3.500 1.600 1.600 peak 37 spectrum 1 weight 0.10000E+01 volume 0.32285E-02 ppm1 3.224 ppm2 6.704 CV 1 ! !Ambiguous restraints ! ASSI { 3} (( segid "T22D" and resid 66 and name HN )) (( segid "T22D" and resid 48 and name HA )) 3.500 1.500 1.500 peak 3 spectrum 1 weight 0.10000E+01 volume 0.13550E-02 ppm1 8.450 ppm2 4.069 CV 1 OR { 3} (( segid "T22D" and resid 83 and name HN )) (( segid "T22D" and resid 89 and name HA )) OR { 3} (( segid "T22D" and resid 83 and name HN )) (( segid "T22D" and resid 61 and name HA )) OR { 3} (( segid "T22D" and resid 83 and name HN )) (( segid "T22D" and resid 88 and name HB2 )) ASSI { 7} (( segid "T22D" and resid 83 and name HN )) (( segid "T22D" and resid 35 and name HA )) 3.300 1.400 1.400 peak 7 spectrum 1 weight 0.10000E+01 volume 0.95012E-03 ppm1 8.450 ppm2 4.400 CV 1 OR { 7} (( segid "T22D" and resid 66 and name HN )) (( segid "T22D" and resid 47 and name HB2 )) ASSI { 11} (( segid "T22D" and resid 83 and name HN )) (( segid "T22D" and resid 61 and name HG11)) 4.300 2.300 1.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.45100E-03 ppm1 8.451 ppm2 1.533 CV 1 OR { 11} (( segid "T22D" and resid 83 and name HN )) ( segid "T22D" and resid 87 and name HB% ) OR { 11} (( segid "T22D" and resid 66 and name HN )) (( segid "T22D" and resid 76 and name HG2 )) ASSI { 12} (( segid "T22D" and resid 90 and name HN )) (( segid "T22D" and resid 91 and name HG1 )) 4.500 2.500 1.500 peak 12 spectrum 1 weight 0.10000E+01 volume 0.68123E-03 ppm1 8.561 ppm2 1.739 CV 1 OR { 12} (( segid "T22D" and resid 90 and name HN )) (( segid "T22D" and resid 37 and name HG11)) ASSI { 15} (( segid "T22D" and resid 94 and name HN )) ( segid "T22D" and resid 92 and name HB% ) 3.200 1.300 1.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.88094E-03 ppm1 7.059 ppm2 1.463 CV 1 OR { 15} (( segid "T22D" and resid 114 and name HN )) (( segid "T22D" and resid 112 and name HB1 )) OR { 15} (( segid "T22D" and resid 114 and name HN )) (( segid "T22D" and resid 115 and name HG1 )) OR { 15} (( segid "T22D" and resid 114 and name HN )) (( segid "T22D" and resid 115 and name HG2 )) ASSI { 23} (( segid "T22D" and resid 33 and name HN )) (( segid "T22D" and resid 34 and name HA )) 3.900 1.900 1.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.11160E-02 ppm1 8.055 ppm2 4.962 CV 1 OR { 23} (( segid "T22D" and resid 33 and name HN )) (( segid "T22D" and resid 36 and name HA )) ASSI { 41} (( segid "T22D" and resid 35 and name HN )) (( segid "T22D" and resid 36 and name HB2 )) 4.500 2.500 1.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.61297E-03 ppm1 7.456 ppm2 2.014 CV 1 OR { 41} (( segid "T22D" and resid 35 and name HN )) (( segid "T22D" and resid 83 and name HB2 )) ASSI { 50} (( segid "T22D" and resid 36 and name HN )) ( segid "T22D" and resid 89 and name HB% ) 4.300 2.300 1.700 peak 50 spectrum 1 weight 0.10000E+01 volume 0.74483E-03 ppm1 7.902 ppm2 1.574 CV 1 OR { 50} (( segid "T22D" and resid 36 and name HN )) (( segid "T22D" and resid 36 and name HD2 )) ASSI { 52} (( segid "T22D" and resid 36 and name HN )) (( segid "T22D" and resid 36 and name HG1 )) 4.100 2.100 1.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.79157E-03 ppm1 7.897 ppm2 0.930 CV 1 OR { 52} (( segid "T22D" and resid 36 and name HN )) ( segid "T22D" and resid 109 and name HD2%) ASSI { 72} (( segid "T22D" and resid 38 and name HN )) (( segid "T22D" and resid 39 and name HA )) 3.800 1.800 1.800 peak 72 spectrum 1 weight 0.10000E+01 volume 0.64428E-03 ppm1 9.270 ppm2 4.422 CV 1 OR { 72} (( segid "T22D" and resid 38 and name HN )) (( segid "T22D" and resid 111 and name HA )) OR { 72} (( segid "T22D" and resid 38 and name HN )) (( segid "T22D" and resid 35 and name HA )) ASSI { 101} (( segid "T22D" and resid 42 and name HN )) (( segid "T22D" and resid 40 and name HA1 )) 4.700 2.800 1.300 peak 101 spectrum 1 weight 0.10000E+01 volume 0.41889E-03 ppm1 7.694 ppm2 3.771 CV 1 OR { 101} (( segid "T22D" and resid 42 and name HN )) (( segid "T22D" and resid 43 and name HD1 )) OR { 101} (( segid "T22D" and resid 42 and name HN )) (( segid "T22D" and resid 46 and name HB )) ASSI { 107} (( segid "T22D" and resid 115 and name HN )) (( segid "T22D" and resid 116 and name HA )) 4.000 2.000 2.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.39268E-03 ppm1 8.298 ppm2 4.434 CV 1 OR { 107} (( segid "T22D" and resid 115 and name HN )) (( segid "T22D" and resid 111 and name HA )) OR { 107} (( segid "T22D" and resid 115 and name HN )) (( segid "T22D" and resid 117 and name HA )) ASSI { 114} (( segid "T22D" and resid 46 and name HN )) (( segid "T22D" and resid 44 and name HA )) 3.700 1.700 1.700 peak 114 spectrum 1 weight 0.10000E+01 volume 0.59241E-03 ppm1 7.279 ppm2 4.218 CV 1 OR { 114} (( segid "T22D" and resid 46 and name HN )) (( segid "T22D" and resid 75 and name HB2 )) OR { 114} (( segid "T22D" and resid 46 and name HN )) (( segid "T22D" and resid 77 and name HA2 )) ASSI { 119} (( segid "T22D" and resid 47 and name HN )) ( segid "T22D" and resid 66 and name HG2%) 4.000 2.000 2.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.54741E-03 ppm1 8.420 ppm2 0.581 CV 1 OR { 119} (( segid "T22D" and resid 47 and name HN )) ( segid "T22D" and resid 51 and name HD1%) ASSI { 120} (( segid "T22D" and resid 47 and name HN )) (( segid "T22D" and resid 50 and name HA )) 4.300 2.300 1.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.73115E-03 ppm1 8.427 ppm2 4.197 CV 1 OR { 120} (( segid "T22D" and resid 47 and name HN )) (( segid "T22D" and resid 49 and name HA )) ASSI { 165} (( segid "T22D" and resid 52 and name HN )) (( segid "T22D" and resid 49 and name HB2 )) 2.800 2.800 3.200 peak 165 spectrum 1 weight 0.10000E+01 volume 0.27141E-02 ppm1 8.546 ppm2 1.865 CV 1 OR { 165} (( segid "T22D" and resid 52 and name HN )) (( segid "T22D" and resid 66 and name HB )) OR { 165} (( segid "T22D" and resid 52 and name HN )) (( segid "T22D" and resid 37 and name HB )) ASSI { 166} (( segid "T22D" and resid 52 and name HN )) ( segid "T22D" and resid 51 and name HD1%) 4.700 2.800 1.300 peak 166 spectrum 1 weight 0.10000E+01 volume 0.56238E-03 ppm1 8.549 ppm2 0.542 CV 1 OR { 166} (( segid "T22D" and resid 52 and name HN )) ( segid "T22D" and resid 81 and name HG1%) ASSI { 167} (( segid "T22D" and resid 52 and name HN )) (( segid "T22D" and resid 51 and name HG )) 4.700 2.700 1.300 peak 167 spectrum 1 weight 0.10000E+01 volume 0.48261E-03 ppm1 8.543 ppm2 1.495 CV 1 OR { 167} (( segid "T22D" and resid 52 and name HN )) (( segid "T22D" and resid 61 and name HB )) ASSI { 174} (( segid "T22D" and resid 53 and name HN )) (( segid "T22D" and resid 53 and name HA )) 2.500 0.800 0.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.50579E-02 ppm1 8.534 ppm2 4.096 CV 1 OR { 174} (( segid "T22D" and resid 53 and name HN )) (( segid "T22D" and resid 54 and name HA )) ASSI { 175} (( segid "T22D" and resid 53 and name HN )) ( segid "T22D" and resid 64 and name HB% ) 4.400 2.400 1.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.88911E-03 ppm1 8.534 ppm2 1.292 CV 1 OR { 175} (( segid "T22D" and resid 53 and name HN )) (( segid "T22D" and resid 51 and name HB2 )) OR { 175} (( segid "T22D" and resid 53 and name HN )) ( segid "T22D" and resid 50 and name HG2%) ASSI { 178} (( segid "T22D" and resid 53 and name HN )) (( segid "T22D" and resid 51 and name HB1 )) 4.200 2.200 1.800 peak 178 spectrum 1 weight 0.10000E+01 volume 0.47627E-03 ppm1 8.538 ppm2 1.896 CV 1 OR { 178} (( segid "T22D" and resid 53 and name HN )) (( segid "T22D" and resid 49 and name HB2 )) ASSI { 206} (( segid "T22D" and resid 56 and name HN )) (( segid "T22D" and resid 53 and name HA )) 3.400 1.400 1.400 peak 206 spectrum 1 weight 0.10000E+01 volume 0.15442E-02 ppm1 8.427 ppm2 4.081 CV 1 OR { 206} (( segid "T22D" and resid 56 and name HN )) (( segid "T22D" and resid 54 and name HA )) OR { 206} (( segid "T22D" and resid 56 and name HN )) (( segid "T22D" and resid 57 and name HA )) ASSI { 207} (( segid "T22D" and resid 56 and name HN )) (( segid "T22D" and resid 61 and name HG11)) 4.200 2.200 1.800 peak 207 spectrum 1 weight 0.10000E+01 volume 0.58874E-03 ppm1 8.431 ppm2 1.503 CV 1 OR { 207} (( segid "T22D" and resid 56 and name HN )) (( segid "T22D" and resid 57 and name HG1 )) OR { 207} (( segid "T22D" and resid 56 and name HN )) (( segid "T22D" and resid 61 and name HB )) ASSI { 208} (( segid "T22D" and resid 56 and name HN )) (( segid "T22D" and resid 59 and name HN )) 4.700 2.800 1.300 peak 208 spectrum 1 weight 0.10000E+01 volume 0.38288E-03 ppm1 8.429 ppm2 7.299 CV 1 OR { 208} (( segid "T22D" and resid 56 and name HN )) (( segid "T22D" and resid 52 and name HD2 )) OR { 208} (( segid "T22D" and resid 56 and name HN )) ( segid "T22D" and resid 55 and name HE% ) ASSI { 219} (( segid "T22D" and resid 57 and name HN )) (( segid "T22D" and resid 53 and name HB1 )) 3.700 3.700 2.300 peak 219 spectrum 1 weight 0.10000E+01 volume 0.53294E-03 ppm1 6.708 ppm2 2.028 CV 1 OR { 219} (( segid "T22D" and resid 57 and name HN )) (( segid "T22D" and resid 91 and name HB2 )) OR { 219} (( segid "T22D" and resid 57 and name HN )) (( segid "T22D" and resid 98 and name HG1 )) OR { 219} (( segid "T22D" and resid 57 and name HN )) (( segid "T22D" and resid 98 and name HG2 )) OR { 219} (( segid "T22D" and resid 57 and name HN )) (( segid "T22D" and resid 83 and name HB2 )) ASSI { 235} (( segid "T22D" and resid 58 and name HN )) (( segid "T22D" and resid 59 and name HA2 )) 4.900 3.000 1.100 peak 235 spectrum 1 weight 0.10000E+01 volume 0.46985E-03 ppm1 7.642 ppm2 3.842 CV 1 OR { 235} (( segid "T22D" and resid 58 and name HN )) (( segid "T22D" and resid 88 and name HB1 )) ASSI { 256} (( segid "T22D" and resid 60 and name HN )) (( segid "T22D" and resid 61 and name HB )) 5.100 3.300 0.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.24676E-03 ppm1 8.211 ppm2 1.447 CV 1 OR { 256} (( segid "T22D" and resid 60 and name HN )) ( segid "T22D" and resid 92 and name HB% ) OR { 256} (( segid "T22D" and resid 97 and name HN )) (( segid "T22D" and resid 99 and name HG11)) ASSI { 258} (( segid "T22D" and resid 60 and name HN )) (( segid "T22D" and resid 88 and name HB2 )) 3.900 1.900 1.900 peak 258 spectrum 1 weight 0.10000E+01 volume 0.10235E-02 ppm1 8.213 ppm2 4.052 CV 1 OR { 258} (( segid "T22D" and resid 97 and name HN )) (( segid "T22D" and resid 96 and name HD1 )) ASSI { 288} (( segid "T22D" and resid 62 and name HN )) (( segid "T22D" and resid 63 and name HA )) 4.500 2.600 1.500 peak 288 spectrum 1 weight 0.10000E+01 volume 0.43152E-03 ppm1 9.148 ppm2 4.579 CV 1 OR { 288} (( segid "T22D" and resid 62 and name HN )) (( segid "T22D" and resid 35 and name HB )) ASSI { 326} (( segid "T22D" and resid 65 and name HN )) (( segid "T22D" and resid 80 and name HN )) 3.000 1.200 1.200 peak 326 spectrum 1 weight 0.10000E+01 volume 0.18392E-02 ppm1 8.917 ppm2 8.412 CV 1 OR { 326} (( segid "T22D" and resid 65 and name HN )) (( segid "T22D" and resid 66 and name HN )) ASSI { 327} (( segid "T22D" and resid 65 and name HN )) ( segid "T22D" and resid 51 and name HD1%) 3.000 1.100 1.100 peak 327 spectrum 1 weight 0.10000E+01 volume 0.25435E-02 ppm1 8.919 ppm2 0.552 CV 1 OR { 327} (( segid "T22D" and resid 65 and name HN )) ( segid "T22D" and resid 66 and name HG2%) OR { 327} (( segid "T22D" and resid 65 and name HN )) ( segid "T22D" and resid 81 and name HG1%) ASSI { 328} (( segid "T22D" and resid 65 and name HN )) ( segid "T22D" and resid 67 and name HD1%) 4.200 2.200 1.800 peak 328 spectrum 1 weight 0.10000E+01 volume 0.72498E-03 ppm1 8.921 ppm2 0.731 CV 1 OR { 328} (( segid "T22D" and resid 65 and name HN )) ( segid "T22D" and resid 66 and name HG1%) OR { 328} (( segid "T22D" and resid 65 and name HN )) ( segid "T22D" and resid 39 and name HG1%) ASSI { 329} (( segid "T22D" and resid 65 and name HN )) (( segid "T22D" and resid 81 and name HB )) 4.200 2.200 1.800 peak 329 spectrum 1 weight 0.10000E+01 volume 0.69036E-03 ppm1 8.920 ppm2 1.118 CV 1 OR { 329} (( segid "T22D" and resid 65 and name HN )) (( segid "T22D" and resid 67 and name HG12)) OR { 329} (( segid "T22D" and resid 65 and name HN )) ( segid "T22D" and resid 82 and name HG2%) ASSI { 332} (( segid "T22D" and resid 65 and name HN )) (( segid "T22D" and resid 63 and name HA )) 4.700 2.800 1.300 peak 332 spectrum 1 weight 0.10000E+01 volume 0.51163E-03 ppm1 8.918 ppm2 4.575 CV 1 OR { 332} (( segid "T22D" and resid 65 and name HN )) (( segid "T22D" and resid 38 and name HA )) ASSI { 349} (( segid "T22D" and resid 67 and name HN )) (( segid "T22D" and resid 76 and name HB1 )) 4.000 2.000 2.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.12940E-02 ppm1 8.347 ppm2 1.337 CV 1 OR { 349} (( segid "T22D" and resid 67 and name HN )) (( segid "T22D" and resid 51 and name HB2 )) OR { 349} (( segid "T22D" and resid 67 and name HN )) ( segid "T22D" and resid 64 and name HB% ) ASSI { 351} (( segid "T22D" and resid 67 and name HN )) (( segid "T22D" and resid 67 and name HB )) 2.600 0.800 0.800 peak 351 spectrum 1 weight 0.10000E+01 volume 0.28386E-02 ppm1 8.342 ppm2 0.940 CV 1 OR { 351} (( segid "T22D" and resid 67 and name HN )) ( segid "T22D" and resid 68 and name HG2%) ASSI { 352} (( segid "T22D" and resid 67 and name HN )) ( segid "T22D" and resid 66 and name HG1%) 2.700 0.900 0.900 peak 352 spectrum 1 weight 0.10000E+01 volume 0.30147E-02 ppm1 8.342 ppm2 0.724 CV 1 OR { 352} (( segid "T22D" and resid 67 and name HN )) ( segid "T22D" and resid 67 and name HD1%) ASSI { 357} (( segid "T22D" and resid 68 and name HN )) ( segid "T22D" and resid 68 and name HG2%) 2.700 0.900 0.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.37688E-02 ppm1 7.928 ppm2 0.947 CV 1 OR { 357} (( segid "T22D" and resid 68 and name HN )) (( segid "T22D" and resid 67 and name HB )) ASSI { 361} (( segid "T22D" and resid 68 and name HN )) (( segid "3T5T" and resid 6 and name H4' )) 3.900 1.900 1.900 peak 361 spectrum 1 weight 0.10000E+01 volume 0.65062E-03 ppm1 7.927 ppm2 4.584 CV 1 OR { 361} (( segid "T22D" and resid 68 and name HN )) (( segid "T22D" and resid 69 and name HA )) OR { 361} (( segid "T22D" and resid 68 and name HN )) (( segid "T22D" and resid 76 and name HA )) ASSI { 362} (( segid "T22D" and resid 68 and name HN )) (( segid "3T5T" and resid 6 and name H5'')) 4.100 2.100 1.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.12759E-02 ppm1 7.927 ppm2 4.272 CV 1 OR { 362} (( segid "T22D" and resid 68 and name HN )) (( segid "T22D" and resid 44 and name HA )) ASSI { 366} (( segid "T22D" and resid 69 and name HN )) (( segid "T22D" and resid 76 and name HG2 )) 3.600 1.700 1.700 peak 366 spectrum 1 weight 0.10000E+01 volume 0.86680E-03 ppm1 8.604 ppm2 1.516 CV 1 OR { 366} (( segid "T22D" and resid 69 and name HN )) (( segid "T22D" and resid 74 and name HD1 )) ASSI { 438} (( segid "T22D" and resid 75 and name HN )) (( segid "T22D" and resid 74 and name HG1 )) 3.100 3.100 2.900 peak 438 spectrum 1 weight 0.10000E+01 volume 0.70684E-03 ppm1 8.725 ppm2 1.373 CV 1 OR { 438} (( segid "T22D" and resid 75 and name HN )) (( segid "T22D" and resid 74 and name HG2 )) OR { 438} (( segid "T22D" and resid 75 and name HN )) (( segid "T22D" and resid 76 and name HB1 )) ASSI { 439} (( segid "T22D" and resid 75 and name HN )) (( segid "T22D" and resid 73 and name HB2 )) 3.200 3.200 2.800 peak 439 spectrum 1 weight 0.10000E+01 volume 0.41397E-03 ppm1 8.718 ppm2 2.404 CV 1 OR { 439} (( segid "T22D" and resid 75 and name HN )) (( segid "T22D" and resid 73 and name HB1 )) OR { 439} (( segid "T22D" and resid 75 and name HN )) (( segid "T22D" and resid 78 and name HB1 )) ASSI { 448} (( segid "T22D" and resid 76 and name HN )) (( segid "T22D" and resid 74 and name HA )) 3.000 3.000 3.000 peak 448 spectrum 1 weight 0.10000E+01 volume 0.64583E-03 ppm1 9.135 ppm2 4.372 CV 1 OR { 448} (( segid "T22D" and resid 76 and name HN )) (( segid "T22D" and resid 39 and name HA )) ASSI { 487} (( segid "T22D" and resid 79 and name HN )) (( segid "T22D" and resid 42 and name HB2 )) 4.700 2.700 1.300 peak 487 spectrum 1 weight 0.10000E+01 volume 0.46293E-03 ppm1 8.769 ppm2 0.924 CV 1 OR { 487} (( segid "T22D" and resid 79 and name HN )) ( segid "T22D" and resid 51 and name HD2%) ASSI { 488} (( segid "T22D" and resid 79 and name HN )) ( segid "T22D" and resid 39 and name HG1%) 4.300 2.300 1.700 peak 488 spectrum 1 weight 0.10000E+01 volume 0.61405E-03 ppm1 8.770 ppm2 0.680 CV 1 OR { 488} (( segid "T22D" and resid 79 and name HN )) ( segid "T22D" and resid 66 and name HG1%) ASSI { 509} (( segid "T22D" and resid 81 and name HN )) ( segid "T22D" and resid 81 and name HG1%) 3.500 1.500 1.500 peak 509 spectrum 1 weight 0.10000E+01 volume 0.18032E-02 ppm1 8.813 ppm2 0.540 CV 1 OR { 509} (( segid "T22D" and resid 81 and name HN )) (( segid "T22D" and resid 37 and name HG12)) ASSI { 512} (( segid "T22D" and resid 81 and name HN )) ( segid "T22D" and resid 65 and name HG2%) 4.300 2.300 1.700 peak 512 spectrum 1 weight 0.10000E+01 volume 0.56376E-03 ppm1 8.804 ppm2 0.902 CV 1 OR { 512} (( segid "T22D" and resid 81 and name HN )) ( segid "T22D" and resid 51 and name HD2%) OR { 512} (( segid "T22D" and resid 81 and name HN )) (( segid "T22D" and resid 61 and name HG12)) OR { 512} (( segid "T22D" and resid 81 and name HN )) ( segid "T22D" and resid 109 and name HD2%) ASSI { 513} (( segid "T22D" and resid 81 and name HN )) ( segid "T22D" and resid 110 and name HB% ) 3.500 1.500 1.500 peak 513 spectrum 1 weight 0.10000E+01 volume 0.37472E-03 ppm1 8.801 ppm2 1.677 CV 1 OR { 513} (( segid "T22D" and resid 81 and name HN )) (( segid "T22D" and resid 62 and name HB1 )) ASSI { 526} (( segid "T22D" and resid 82 and name HN )) (( segid "T22D" and resid 63 and name HA )) 4.200 2.200 1.800 peak 526 spectrum 1 weight 0.10000E+01 volume 0.50554E-03 ppm1 9.569 ppm2 4.582 CV 1 OR { 526} (( segid "T22D" and resid 82 and name HN )) (( segid "T22D" and resid 35 and name HB )) ASSI { 543} (( segid "T22D" and resid 84 and name HN )) (( segid "T22D" and resid 61 and name HG11)) 3.000 3.000 3.000 peak 543 spectrum 1 weight 0.10000E+01 volume 0.77644E-03 ppm1 8.346 ppm2 1.538 CV 1 OR { 543} (( segid "T22D" and resid 84 and name HN )) (( segid "T22D" and resid 61 and name HB )) OR { 543} (( segid "T22D" and resid 84 and name HN )) ( segid "T22D" and resid 87 and name HB% ) ASSI { 555} (( segid "T22D" and resid 85 and name HN )) (( segid "T22D" and resid 88 and name HB2 )) 2.800 1.000 1.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.32543E-02 ppm1 7.733 ppm2 4.076 CV 1 OR { 555} (( segid "T22D" and resid 85 and name HN )) (( segid "T22D" and resid 84 and name HA )) OR { 555} (( segid "T22D" and resid 85 and name HN )) (( segid "T22D" and resid 89 and name HA )) ASSI { 556} (( segid "T22D" and resid 85 and name HN )) (( segid "T22D" and resid 88 and name HB1 )) 4.600 2.700 1.400 peak 556 spectrum 1 weight 0.10000E+01 volume 0.38728E-03 ppm1 7.736 ppm2 3.876 CV 1 OR { 556} (( segid "T22D" and resid 85 and name HN )) (( segid "T22D" and resid 59 and name HA2 )) ASSI { 557} (( segid "T22D" and resid 85 and name HN )) ( segid "T22D" and resid 89 and name HB% ) 4.800 2.900 1.200 peak 557 spectrum 1 weight 0.10000E+01 volume 0.41509E-03 ppm1 7.740 ppm2 1.554 CV 1 OR { 557} (( segid "T22D" and resid 85 and name HN )) ( segid "T22D" and resid 87 and name HB% ) ASSI { 576} (( segid "T22D" and resid 87 and name HN )) (( segid "T22D" and resid 86 and name HA )) 3.500 1.500 1.500 peak 576 spectrum 1 weight 0.10000E+01 volume 0.10530E-02 ppm1 8.678 ppm2 4.046 CV 1 OR { 576} (( segid "T22D" and resid 87 and name HN )) (( segid "T22D" and resid 88 and name HB2 )) ASSI { 586} (( segid "T22D" and resid 88 and name HN )) (( segid "T22D" and resid 91 and name HG1 )) 4.100 2.100 1.900 peak 586 spectrum 1 weight 0.10000E+01 volume 0.49253E-03 ppm1 8.355 ppm2 1.706 CV 1 OR { 586} (( segid "T22D" and resid 88 and name HN )) (( segid "T22D" and resid 37 and name HG11)) ASSI { 597} (( segid "T22D" and resid 89 and name HN )) (( segid "T22D" and resid 88 and name HB2 )) 2.300 0.700 0.700 peak 597 spectrum 1 weight 0.10000E+01 volume 0.56630E-02 ppm1 7.572 ppm2 4.062 CV 1 OR { 597} (( segid "T22D" and resid 89 and name HN )) (( segid "T22D" and resid 89 and name HA )) OR { 597} (( segid "T22D" and resid 89 and name HN )) (( segid "T22D" and resid 86 and name HA )) ASSI { 599} (( segid "T22D" and resid 89 and name HN )) (( segid "T22D" and resid 83 and name HG1 )) 3.200 1.300 1.300 peak 599 spectrum 1 weight 0.10000E+01 volume 0.12019E-02 ppm1 7.577 ppm2 2.227 CV 1 OR { 599} (( segid "T22D" and resid 89 and name HN )) (( segid "T22D" and resid 90 and name HB2 )) ASSI { 600} (( segid "T22D" and resid 89 and name HN )) ( segid "T22D" and resid 83 and name HE% ) 3.700 1.700 1.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.10133E-02 ppm1 7.570 ppm2 1.902 CV 1 OR { 600} (( segid "T22D" and resid 89 and name HN )) (( segid "T22D" and resid 92 and name HA )) OR { 600} (( segid "T22D" and resid 89 and name HN )) (( segid "T22D" and resid 37 and name HB )) ASSI { 602} (( segid "T22D" and resid 89 and name HN )) (( segid "T22D" and resid 88 and name HA )) 4.000 2.000 2.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.48624E-03 ppm1 7.568 ppm2 4.387 CV 1 OR { 602} (( segid "T22D" and resid 89 and name HN )) (( segid "T22D" and resid 35 and name HA )) ASSI { 603} (( segid "T22D" and resid 89 and name HN )) (( segid "T22D" and resid 87 and name HA )) 3.600 1.600 1.600 peak 603 spectrum 1 weight 0.10000E+01 volume 0.10348E-02 ppm1 7.574 ppm2 4.248 CV 1 OR { 603} (( segid "T22D" and resid 89 and name HN )) (( segid "T22D" and resid 37 and name HA )) ASSI { 604} (( segid "T22D" and resid 89 and name HN )) (( segid "T22D" and resid 91 and name HG1 )) 4.400 2.400 1.600 peak 604 spectrum 1 weight 0.10000E+01 volume 0.64683E-03 ppm1 7.568 ppm2 1.740 CV 1 OR { 604} (( segid "T22D" and resid 89 and name HN )) (( segid "T22D" and resid 37 and name HG11)) ASSI { 612} (( segid "T22D" and resid 90 and name HN )) ( segid "T22D" and resid 34 and name HE% ) 4.300 2.300 1.700 peak 612 spectrum 1 weight 0.10000E+01 volume 0.51843E-03 ppm1 8.560 ppm2 7.352 CV 1 OR { 612} (( segid "T22D" and resid 90 and name HN )) ( segid "T22D" and resid 58 and name HD% ) ASSI { 625} (( segid "T22D" and resid 91 and name HN )) (( segid "T22D" and resid 94 and name HB2 )) 3.900 1.900 1.900 peak 625 spectrum 1 weight 0.10000E+01 volume 0.10030E-02 ppm1 7.888 ppm2 1.894 CV 1 OR { 625} (( segid "T22D" and resid 91 and name HN )) (( segid "T22D" and resid 92 and name HA )) OR { 625} (( segid "T22D" and resid 91 and name HN )) ( segid "T22D" and resid 83 and name HE% ) ASSI { 626} (( segid "T22D" and resid 91 and name HN )) ( segid "T22D" and resid 87 and name HB% ) 4.100 2.100 1.900 peak 626 spectrum 1 weight 0.10000E+01 volume 0.68594E-03 ppm1 7.894 ppm2 1.564 CV 1 OR { 626} (( segid "T22D" and resid 91 and name HN )) ( segid "T22D" and resid 89 and name HB% ) OR { 626} (( segid "T22D" and resid 91 and name HN )) (( segid "T22D" and resid 94 and name HG2 )) ASSI { 633} (( segid "T22D" and resid 92 and name HN )) ( segid "T22D" and resid 89 and name HB% ) 3.700 1.700 1.700 peak 633 spectrum 1 weight 0.10000E+01 volume 0.10846E-02 ppm1 7.918 ppm2 1.584 CV 1 OR { 633} (( segid "T22D" and resid 92 and name HN )) (( segid "T22D" and resid 94 and name HG1 )) OR { 633} (( segid "T22D" and resid 92 and name HN )) (( segid "T22D" and resid 94 and name HG2 )) ASSI { 636} (( segid "T22D" and resid 92 and name HN )) (( segid "T22D" and resid 83 and name HG2 )) 4.100 2.100 1.900 peak 636 spectrum 1 weight 0.10000E+01 volume 0.34801E-03 ppm1 7.921 ppm2 2.519 CV 1 OR { 636} (( segid "T22D" and resid 92 and name HN )) (( segid "T22D" and resid 90 and name HG2 )) OR { 636} (( segid "T22D" and resid 92 and name HN )) (( segid "T22D" and resid 95 and name HB1 )) ASSI { 637} (( segid "T22D" and resid 92 and name HN )) (( segid "T22D" and resid 93 and name HA )) 4.300 2.300 1.700 peak 637 spectrum 1 weight 0.10000E+01 volume 0.60016E-03 ppm1 7.918 ppm2 4.278 CV 1 OR { 637} (( segid "T22D" and resid 92 and name HN )) (( segid "T22D" and resid 55 and name HA )) ASSI { 640} (( segid "T22D" and resid 92 and name HN )) ( segid "T22D" and resid 58 and name HD% ) 4.100 2.100 1.900 peak 640 spectrum 1 weight 0.10000E+01 volume 0.54574E-03 ppm1 7.915 ppm2 7.342 CV 1 OR { 640} (( segid "T22D" and resid 92 and name HN )) ( segid "T22D" and resid 55 and name HE% ) ASSI { 650} (( segid "T22D" and resid 93 and name HN )) (( segid "T22D" and resid 90 and name HG2 )) 3.200 1.300 1.300 peak 650 spectrum 1 weight 0.10000E+01 volume 0.24832E-02 ppm1 7.177 ppm2 2.542 CV 1 OR { 650} (( segid "T22D" and resid 93 and name HN )) (( segid "T22D" and resid 95 and name HB1 )) ASSI { 651} (( segid "T22D" and resid 93 and name HN )) ( segid "T22D" and resid 89 and name HB% ) 4.300 2.300 1.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.57798E-03 ppm1 7.179 ppm2 1.585 CV 1 OR { 651} (( segid "T22D" and resid 93 and name HN )) (( segid "T22D" and resid 94 and name HG1 )) OR { 651} (( segid "T22D" and resid 93 and name HN )) (( segid "T22D" and resid 94 and name HG2 )) ASSI { 692} (( segid "T22D" and resid 97 and name HD21)) (( segid "T22D" and resid 104 and name HG2 )) 3.500 1.500 1.500 peak 692 spectrum 1 weight 0.10000E+01 volume 0.82473E-03 ppm1 8.154 ppm2 1.291 CV 1 OR { 692} (( segid "T22D" and resid 97 and name HD21)) ( segid "T22D" and resid 105 and name HB% ) ASSI { 716} (( segid "T22D" and resid 100 and name HN )) (( segid "T22D" and resid 100 and name HG11)) 3.100 1.200 1.200 peak 716 spectrum 1 weight 0.10000E+01 volume 0.17016E-02 ppm1 8.359 ppm2 0.739 CV 1 OR { 716} (( segid "T22D" and resid 100 and name HN )) ( segid "T22D" and resid 99 and name HD1%) ASSI { 719} (( segid "T22D" and resid 100 and name HN )) (( segid "T22D" and resid 99 and name HB )) 4.400 2.400 1.600 peak 719 spectrum 1 weight 0.10000E+01 volume 0.49741E-03 ppm1 8.358 ppm2 1.786 CV 1 OR { 719} (( segid "T22D" and resid 100 and name HN )) (( segid "T22D" and resid 103 and name HG2 )) ASSI { 720} (( segid "T22D" and resid 100 and name HN )) (( segid "T22D" and resid 103 and name HB1 )) 4.100 2.100 1.900 peak 720 spectrum 1 weight 0.10000E+01 volume 0.47368E-03 ppm1 8.359 ppm2 1.630 CV 1 OR { 720} (( segid "T22D" and resid 100 and name HN )) (( segid "T22D" and resid 104 and name HB2 )) OR { 720} (( segid "T22D" and resid 100 and name HN )) (( segid "T22D" and resid 104 and name HB1 )) OR { 720} (( segid "T22D" and resid 100 and name HN )) (( segid "T22D" and resid 104 and name HD1 )) ASSI { 777} (( segid "T22D" and resid 105 and name HN )) ( segid "T22D" and resid 99 and name HD1%) 4.600 2.600 1.400 peak 777 spectrum 1 weight 0.10000E+01 volume 0.52210E-03 ppm1 8.991 ppm2 0.680 CV 1 OR { 777} (( segid "T22D" and resid 105 and name HN )) ( segid "T22D" and resid 42 and name HD2%) ASSI { 781} (( segid "T22D" and resid 29 and name HN )) (( segid "T22D" and resid 30 and name HG2 )) 4.200 2.200 1.800 peak 781 spectrum 1 weight 0.10000E+01 volume 0.46793E-03 ppm1 8.211 ppm2 1.648 CV 1 OR { 781} (( segid "T22D" and resid 97 and name HN )) (( segid "T22D" and resid 104 and name HD2 )) OR { 781} (( segid "T22D" and resid 97 and name HN )) (( segid "T22D" and resid 104 and name HD1 )) OR { 781} (( segid "T22D" and resid 97 and name HN )) (( segid "T22D" and resid 104 and name HB2 )) OR { 781} (( segid "T22D" and resid 97 and name HN )) (( segid "T22D" and resid 104 and name HB1 )) ASSI { 782} (( segid "T22D" and resid 106 and name HN )) (( segid "T22D" and resid 39 and name HB )) 3.600 1.600 1.600 peak 782 spectrum 1 weight 0.10000E+01 volume 0.38934E-03 ppm1 8.213 ppm2 1.485 CV 1 OR { 782} (( segid "T22D" and resid 106 and name HN )) (( segid "T22D" and resid 103 and name HG1 )) OR { 782} (( segid "T22D" and resid 29 and name HN )) ( segid "T22D" and resid 33 and name HE% ) OR { 782} (( segid "T22D" and resid 97 and name HN )) (( segid "T22D" and resid 99 and name HG11)) OR { 782} (( segid "T22D" and resid 29 and name HN )) (( segid "T22D" and resid 36 and name HD1 )) OR { 782} (( segid "T22D" and resid 97 and name HN )) (( segid "T22D" and resid 103 and name HG1 )) ASSI { 837} (( segid "T22D" and resid 109 and name HN )) ( segid "T22D" and resid 112 and name HD1%) 3.000 1.100 1.100 peak 837 spectrum 1 weight 0.10000E+01 volume 0.19985E-02 ppm1 9.361 ppm2 0.932 CV 1 OR { 837} (( segid "T22D" and resid 109 and name HN )) ( segid "T22D" and resid 109 and name HD2%) ASSI { 854} (( segid "T22D" and resid 111 and name HN )) ( segid "T22D" and resid 114 and name HB% ) 4.000 2.000 2.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.94954E-03 ppm1 9.065 ppm2 1.298 CV 1 OR { 854} (( segid "T22D" and resid 111 and name HN )) ( segid "T22D" and resid 109 and name HD1%) OR { 854} (( segid "T22D" and resid 111 and name HN )) (( segid "T22D" and resid 33 and name HG2 )) ASSI { 887} (( segid "T22D" and resid 115 and name HN )) (( segid "T22D" and resid 115 and name HB1 )) 3.900 1.900 1.900 peak 887 spectrum 1 weight 0.10000E+01 volume 0.12977E-02 ppm1 8.337 ppm2 1.790 CV 1 OR { 887} (( segid "T22D" and resid 44 and name HN )) (( segid "T22D" and resid 43 and name HG2 )) ASSI { 889} (( segid "T22D" and resid 115 and name HN )) (( segid "T22D" and resid 114 and name HN )) 4.400 2.500 1.600 peak 889 spectrum 1 weight 0.10000E+01 volume 0.72931E-03 ppm1 8.339 ppm2 7.040 CV 1 OR { 889} (( segid "T22D" and resid 115 and name HN )) (( segid "T22D" and resid 113 and name HN )) ASSI { 890} (( segid "T22D" and resid 44 and name HN )) (( segid "T22D" and resid 42 and name HA )) 3.700 3.700 2.300 peak 890 spectrum 1 weight 0.10000E+01 volume 0.11141E-02 ppm1 8.340 ppm2 4.345 CV 1 OR { 890} (( segid "T22D" and resid 115 and name HN )) (( segid "T22D" and resid 118 and name HA )) OR { 890} (( segid "T22D" and resid 44 and name HN )) (( segid "T22D" and resid 74 and name HA )) ASSI { 891} (( segid "T22D" and resid 44 and name HN )) (( segid "T22D" and resid 75 and name HB2 )) 4.100 2.100 1.900 peak 891 spectrum 1 weight 0.10000E+01 volume 0.85988E-03 ppm1 8.341 ppm2 4.188 CV 1 OR { 891} (( segid "T22D" and resid 115 and name HN )) (( segid "T22D" and resid 113 and name HA1 )) OR { 891} (( segid "T22D" and resid 44 and name HN )) (( segid "T22D" and resid 75 and name HA )) ASSI { 896} (( segid "T22D" and resid 117 and name HN )) (( segid "T22D" and resid 117 and name HB2 )) 3.200 1.300 1.300 peak 896 spectrum 1 weight 0.10000E+01 volume 0.13249E-02 ppm1 8.545 ppm2 1.855 CV 1 OR { 896} (( segid "T22D" and resid 117 and name HN )) (( segid "T22D" and resid 116 and name HB2 )) ASSI { 32} ( segid "T22D" and resid 99 and name HD1%) (( segid "T22D" and resid 104 and name HG2 )) 3.500 1.600 1.600 peak 32 spectrum 1 weight 0.10000E+01 volume 0.30722E-02 ppm1 0.712 ppm2 1.286 CV 1 OR { 32} ( segid "T22D" and resid 99 and name HD1%) ( segid "T22D" and resid 105 and name HB% ) OR { 32} ( segid "T22D" and resid 99 and name HD1%) (( segid "T22D" and resid 100 and name HB )) ASSI { 77} ( segid "T22D" and resid 37 and name HD1%) (( segid "T22D" and resid 81 and name HB )) 3.300 1.300 1.300 peak 77 spectrum 1 weight 0.10000E+01 volume 0.13127E-02 ppm1 0.710 ppm2 1.080 CV 1 OR { 77} ( segid "T22D" and resid 37 and name HD1%) ( segid "T22D" and resid 107 and name HG1%) ASSI { 80} ( segid "T22D" and resid 37 and name HD1%) (( segid "T22D" and resid 83 and name HB2 )) 4.500 2.500 1.500 peak 80 spectrum 1 weight 0.10000E+01 volume 0.74929E-03 ppm1 0.705 ppm2 1.988 CV 1 OR { 80} ( segid "T22D" and resid 37 and name HD1%) (( segid "T22D" and resid 92 and name HA )) ASSI { 81} ( segid "T22D" and resid 37 and name HD1%) (( segid "T22D" and resid 35 and name HA )) 4.200 2.200 1.800 peak 81 spectrum 1 weight 0.10000E+01 volume 0.89558E-03 ppm1 0.718 ppm2 4.402 CV 1 OR { 81} ( segid "T22D" and resid 37 and name HD1%) (( segid "T22D" and resid 39 and name HA )) ASSI { 135} ( segid "T22D" and resid 83 and name HE% ) (( segid "T22D" and resid 85 and name HB2 )) 3.900 1.900 1.900 peak 135 spectrum 1 weight 0.10000E+01 volume 0.10572E-02 ppm1 1.923 ppm2 2.775 CV 1 OR { 135} ( segid "T22D" and resid 83 and name HE% ) (( segid "T22D" and resid 93 and name HB2 )) OR { 135} ( segid "T22D" and resid 83 and name HE% ) (( segid "T22D" and resid 34 and name HB1 )) ASSI { 195} ( segid "T22D" and resid 37 and name HG2%) ( segid "T22D" and resid 92 and name HB% ) 3.200 1.300 1.300 peak 195 spectrum 1 weight 0.10000E+01 volume 0.21870E-02 ppm1 0.698 ppm2 1.420 CV 1 OR { 195} ( segid "T22D" and resid 37 and name HG2%) (( segid "T22D" and resid 39 and name HB )) ASSI { 207} ( segid "T22D" and resid 89 and name HB% ) (( segid "T22D" and resid 83 and name HG1 )) 2.700 0.900 0.900 peak 207 spectrum 1 weight 0.10000E+01 volume 0.38508E-02 ppm1 1.597 ppm2 2.248 CV 1 OR { 207} ( segid "T22D" and resid 89 and name HB% ) (( segid "T22D" and resid 90 and name HB2 )) ASSI { 218} ( segid "T22D" and resid 61 and name HG2%) (( segid "T22D" and resid 56 and name HB2 )) 4.300 2.300 1.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.98023E-03 ppm1 0.604 ppm2 2.102 CV 1 OR { 218} ( segid "T22D" and resid 61 and name HG2%) (( segid "T22D" and resid 63 and name HB2 )) OR { 218} ( segid "T22D" and resid 61 and name HG2%) (( segid "T22D" and resid 56 and name HB1 )) OR { 218} ( segid "T22D" and resid 61 and name HG2%) (( segid "T22D" and resid 62 and name HG2 )) ASSI { 224} ( segid "T22D" and resid 37 and name HG2%) (( segid "T22D" and resid 93 and name HB2 )) 3.800 1.800 1.800 peak 224 spectrum 1 weight 0.10000E+01 volume 0.14146E-02 ppm1 0.680 ppm2 2.795 CV 1 OR { 224} ( segid "T22D" and resid 37 and name HG2%) (( segid "T22D" and resid 38 and name HB2 )) OR { 224} ( segid "T22D" and resid 37 and name HG2%) (( segid "T22D" and resid 108 and name HB2 )) OR { 224} ( segid "T22D" and resid 37 and name HG2%) (( segid "T22D" and resid 80 and name HB2 )) ASSI { 236} ( segid "T22D" and resid 114 and name HB% ) (( segid "T22D" and resid 33 and name HA )) 2.500 2.500 3.500 peak 236 spectrum 1 weight 0.10000E+01 volume 0.16512E-02 ppm1 1.333 ppm2 3.749 CV 1 OR { 236} ( segid "T22D" and resid 26 and name HB% ) (( segid "T22D" and resid 33 and name HA )) ASSI { 243} ( segid "T22D" and resid 114 and name HB% ) (( segid "T22D" and resid 115 and name HB1 )) 3.300 3.300 2.700 peak 243 spectrum 1 weight 0.10000E+01 volume 0.28708E-02 ppm1 1.279 ppm2 1.840 CV 1 OR { 243} ( segid "T22D" and resid 114 and name HB% ) (( segid "T22D" and resid 116 and name HB2 )) ASSI { 249} ( segid "T22D" and resid 92 and name HB% ) (( segid "T22D" and resid 83 and name HG1 )) 3.800 1.800 1.800 peak 249 spectrum 1 weight 0.10000E+01 volume 0.73770E-03 ppm1 1.434 ppm2 2.253 CV 1 OR { 249} ( segid "T22D" and resid 92 and name HB% ) (( segid "T22D" and resid 90 and name HB2 )) ASSI { 251} ( segid "T22D" and resid 65 and name HG2%) (( segid "T22D" and resid 67 and name HA )) 3.600 1.600 1.600 peak 251 spectrum 1 weight 0.10000E+01 volume 0.14879E-02 ppm1 0.926 ppm2 4.099 CV 1 OR { 251} ( segid "T22D" and resid 65 and name HG2%) (( segid "T22D" and resid 48 and name HA )) ASSI { 276} ( segid "T22D" and resid 65 and name HG2%) (( segid "3T5T" and resid 6 and name H1' )) 3.400 1.400 1.400 peak 276 spectrum 1 weight 0.10000E+01 volume 0.13687E-02 ppm1 0.942 ppm2 6.369 CV 1 OR { 276} ( segid "T22D" and resid 65 and name HG2%) ( segid "T22D" and resid 78 and name HD% ) ASSI { 304} ( segid "T22D" and resid 105 and name HB% ) (( segid "T22D" and resid 104 and name HA )) 3.500 1.500 1.500 peak 304 spectrum 1 weight 0.10000E+01 volume 0.20526E-02 ppm1 1.324 ppm2 4.142 CV 1 OR { 304} ( segid "T22D" and resid 64 and name HB% ) (( segid "T22D" and resid 51 and name HA )) OR { 304} ( segid "T22D" and resid 64 and name HB% ) (( segid "T22D" and resid 61 and name HA )) ASSI { 305} ( segid "T22D" and resid 105 and name HB% ) (( segid "T22D" and resid 41 and name HA1 )) 3.700 1.700 1.700 peak 305 spectrum 1 weight 0.10000E+01 volume 0.86042E-03 ppm1 1.330 ppm2 4.056 CV 1 OR { 305} ( segid "T22D" and resid 64 and name HB% ) (( segid "T22D" and resid 48 and name HA )) ASSI { 308} ( segid "T22D" and resid 82 and name HG2%) (( segid "T22D" and resid 32 and name HA )) 2.800 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.36419E-02 ppm1 1.159 ppm2 4.641 CV 1 OR { 308} ( segid "T22D" and resid 72 and name HG2%) (( segid "T22D" and resid 69 and name HA )) ASSI { 315} ( segid "T22D" and resid 32 and name HG2%) (( segid "T22D" and resid 31 and name HB2 )) 3.600 1.700 1.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.78390E-03 ppm1 1.089 ppm2 2.816 CV 1 OR { 315} ( segid "T22D" and resid 32 and name HG2%) (( segid "T22D" and resid 36 and name HE1 )) ASSI { 317} ( segid "T22D" and resid 64 and name HB% ) (( segid "T22D" and resid 48 and name HB2 )) 4.100 2.100 1.900 peak 317 spectrum 1 weight 0.10000E+01 volume 0.64441E-03 ppm1 1.327 ppm2 2.744 CV 1 OR { 317} ( segid "T22D" and resid 64 and name HB% ) (( segid "T22D" and resid 80 and name HB2 )) ASSI { 318} ( segid "T22D" and resid 81 and name HG2%) ( segid "T22D" and resid 39 and name HG1%) 2.800 1.000 1.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.36916E-02 ppm1 0.270 ppm2 0.684 CV 1 OR { 318} ( segid "T22D" and resid 81 and name HG2%) ( segid "T22D" and resid 37 and name HD1%) ASSI { 331} ( segid "T22D" and resid 81 and name HG2%) (( segid "T22D" and resid 39 and name HB )) 2.500 2.500 3.500 peak 331 spectrum 1 weight 0.10000E+01 volume 0.38789E-02 ppm1 0.273 ppm2 1.463 CV 1 OR { 331} ( segid "T22D" and resid 81 and name HG2%) (( segid "T22D" and resid 51 and name HG )) OR { 331} ( segid "T22D" and resid 81 and name HG2%) ( segid "T22D" and resid 92 and name HB% ) ASSI { 340} ( segid "T22D" and resid 68 and name HG2%) (( segid "T22D" and resid 73 and name HB2 )) 3.100 1.200 1.200 peak 340 spectrum 1 weight 0.10000E+01 volume 0.32252E-02 ppm1 0.928 ppm2 2.338 CV 1 OR { 340} ( segid "T22D" and resid 68 and name HG2%) (( segid "T22D" and resid 73 and name HB1 )) OR { 340} ( segid "T22D" and resid 68 and name HG2%) (( segid "T22D" and resid 73 and name HG2 )) OR { 340} ( segid "T22D" and resid 120 and name HG1%) (( segid "T22D" and resid 121 and name HG1 )) OR { 340} ( segid "T22D" and resid 120 and name HG1%) (( segid "T22D" and resid 121 and name HG2 )) OR { 340} ( segid "T22D" and resid 68 and name HG2%) (( segid "T22D" and resid 76 and name HB2 )) ASSI { 344} ( segid "T22D" and resid 120 and name HG1%) (( segid "3T5T" and resid 6 and name H2' )) 2.800 2.800 3.200 peak 344 spectrum 1 weight 0.10000E+01 volume 0.85946E-03 ppm1 0.922 ppm2 2.603 CV 1 OR { 344} ( segid "T22D" and resid 120 and name HG1%) (( segid "T22D" and resid 27 and name HG1 )) ASSI { 362} ( segid "T22D" and resid 72 and name HG2%) (( segid "T22D" and resid 73 and name HG1 )) 3.700 1.700 1.700 peak 362 spectrum 1 weight 0.10000E+01 volume 0.10819E-02 ppm1 1.189 ppm2 2.304 CV 1 OR { 362} ( segid "T22D" and resid 118 and name HG2%) (( segid "T22D" and resid 116 and name HB1 )) OR { 362} ( segid "T22D" and resid 72 and name HG2%) (( segid "T22D" and resid 73 and name HG2 )) ASSI { 387} ( segid "T22D" and resid 35 and name HG2%) (( segid "T22D" and resid 86 and name HD1 )) 3.900 1.900 1.900 peak 387 spectrum 1 weight 0.10000E+01 volume 0.96230E-03 ppm1 0.799 ppm2 3.010 CV 1 OR { 387} ( segid "T22D" and resid 35 and name HG2%) (( segid "T22D" and resid 85 and name HB1 )) OR { 387} ( segid "T22D" and resid 35 and name HG2%) (( segid "T22D" and resid 86 and name HD2 )) ASSI { 396} ( segid "T22D" and resid 35 and name HG2%) (( segid "T22D" and resid 86 and name HD1 )) 4.100 2.100 1.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.72414E-03 ppm1 0.797 ppm2 2.954 CV 1 OR { 396} ( segid "T22D" and resid 35 and name HG2%) (( segid "T22D" and resid 85 and name HB1 )) OR { 396} ( segid "T22D" and resid 35 and name HG2%) (( segid "T22D" and resid 111 and name HB1 )) ASSI { 402} ( segid "T22D" and resid 50 and name HG2%) (( segid "T22D" and resid 43 and name HG2 )) 3.300 1.400 1.400 peak 402 spectrum 1 weight 0.10000E+01 volume 0.19369E-02 ppm1 1.260 ppm2 1.811 CV 1 OR { 402} ( segid "T22D" and resid 50 and name HG2%) (( segid "T22D" and resid 49 and name HB1 )) ASSI { 403} ( segid "T22D" and resid 50 and name HG2%) (( segid "T22D" and resid 103 and name HB2 )) 2.900 2.900 3.100 peak 403 spectrum 1 weight 0.10000E+01 volume 0.50721E-02 ppm1 1.274 ppm2 1.551 CV 1 OR { 403} ( segid "T22D" and resid 50 and name HG2%) (( segid "T22D" and resid 98 and name HB2 )) OR { 403} ( segid "T22D" and resid 50 and name HG2%) (( segid "T22D" and resid 57 and name HB2 )) OR { 403} ( segid "T22D" and resid 50 and name HG2%) (( segid "T22D" and resid 57 and name HB1 )) ASSI { 405} ( segid "T22D" and resid 42 and name HD2%) (( segid "T22D" and resid 43 and name HA )) 3.800 1.800 1.800 peak 405 spectrum 1 weight 0.10000E+01 volume 0.12879E-02 ppm1 0.635 ppm2 4.606 CV 1 OR { 405} ( segid "T22D" and resid 42 and name HD2%) (( segid "T22D" and resid 103 and name HA )) OR { 405} ( segid "T22D" and resid 42 and name HD2%) (( segid "T22D" and resid 38 and name HA )) OR { 405} ( segid "T22D" and resid 66 and name HG2%) (( segid "T22D" and resid 76 and name HA )) OR { 405} ( segid "T22D" and resid 66 and name HG2%) (( segid "T22D" and resid 38 and name HA )) OR { 405} ( segid "T22D" and resid 66 and name HG2%) (( segid "3T5T" and resid 6 and name H4' )) ASSI { 408} ( segid "T22D" and resid 50 and name HG2%) (( segid "T22D" and resid 53 and name HB1 )) 3.500 3.500 2.500 peak 408 spectrum 1 weight 0.10000E+01 volume 0.20263E-02 ppm1 1.276 ppm2 2.122 CV 1 OR { 408} ( segid "T22D" and resid 50 and name HG2%) (( segid "T22D" and resid 98 and name HB1 )) ASSI { 424} ( segid "T22D" and resid 46 and name HG2%) (( segid "T22D" and resid 51 and name HA )) 3.800 1.800 1.800 peak 424 spectrum 1 weight 0.10000E+01 volume 0.17540E-02 ppm1 1.141 ppm2 4.136 CV 1 OR { 424} ( segid "T22D" and resid 46 and name HG2%) (( segid "T22D" and resid 50 and name HA )) ASSI { 432} ( segid "T22D" and resid 46 and name HG2%) ( segid "T22D" and resid 66 and name HG2%) 2.500 0.800 0.800 peak 432 spectrum 1 weight 0.10000E+01 volume 0.73986E-02 ppm1 1.138 ppm2 0.594 CV 1 OR { 432} ( segid "T22D" and resid 46 and name HG2%) ( segid "T22D" and resid 51 and name HD1%) ASSI { 436} ( segid "T22D" and resid 46 and name HG2%) ( segid "T22D" and resid 100 and name HG2%) 2.400 0.700 0.700 peak 436 spectrum 1 weight 0.10000E+01 volume 0.78582E-02 ppm1 1.140 ppm2 0.446 CV 1 OR { 436} ( segid "T22D" and resid 46 and name HG2%) ( segid "T22D" and resid 42 and name HD1%) ASSI { 439} ( segid "T22D" and resid 42 and name HD2%) (( segid "T22D" and resid 42 and name HG )) 2.300 0.600 0.600 peak 439 spectrum 1 weight 0.10000E+01 volume 0.70258E-02 ppm1 0.662 ppm2 1.308 CV 1 OR { 439} ( segid "T22D" and resid 42 and name HD2%) ( segid "T22D" and resid 105 and name HB% ) OR { 439} ( segid "T22D" and resid 42 and name HD2%) (( segid "T22D" and resid 100 and name HB )) OR { 439} ( segid "T22D" and resid 112 and name HD2%) ( segid "T22D" and resid 109 and name HD1%) ASSI { 443} ( segid "T22D" and resid 42 and name HD2%) (( segid "T22D" and resid 43 and name HG1 )) 4.300 2.300 1.700 peak 443 spectrum 1 weight 0.10000E+01 volume 0.96438E-03 ppm1 0.658 ppm2 2.226 CV 1 OR { 443} ( segid "T22D" and resid 42 and name HD2%) (( segid "T22D" and resid 101 and name HB1 )) ASSI { 457} ( segid "T22D" and resid 109 and name HD2%) (( segid "T22D" and resid 90 and name HG1 )) 2.900 2.900 3.100 peak 457 spectrum 1 weight 0.10000E+01 volume 0.82110E-03 ppm1 0.883 ppm2 2.274 CV 1 OR { 457} ( segid "T22D" and resid 109 and name HD2%) (( segid "T22D" and resid 83 and name HG1 )) OR { 457} ( segid "T22D" and resid 109 and name HD2%) (( segid "T22D" and resid 36 and name HE2 )) ASSI { 458} ( segid "T22D" and resid 109 and name HD2%) (( segid "T22D" and resid 90 and name HG2 )) 2.700 2.700 3.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.94970E-03 ppm1 0.880 ppm2 2.556 CV 1 OR { 458} ( segid "T22D" and resid 109 and name HD2%) (( segid "T22D" and resid 83 and name HG2 )) ASSI { 460} ( segid "T22D" and resid 109 and name HD2%) (( segid "T22D" and resid 93 and name HB2 )) 3.500 1.600 1.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.81793E-03 ppm1 0.885 ppm2 2.784 CV 1 OR { 460} ( segid "T22D" and resid 109 and name HD2%) (( segid "T22D" and resid 34 and name HB1 )) OR { 460} ( segid "T22D" and resid 109 and name HD2%) (( segid "T22D" and resid 108 and name HB2 )) ASSI { 471} ( segid "T22D" and resid 109 and name HD2%) (( segid "T22D" and resid 93 and name HB1 )) 4.100 2.100 1.900 peak 471 spectrum 1 weight 0.10000E+01 volume 0.69533E-03 ppm1 0.901 ppm2 3.049 CV 1 OR { 471} ( segid "T22D" and resid 109 and name HD2%) (( segid "T22D" and resid 108 and name HB1 )) ASSI { 498} ( segid "T22D" and resid 51 and name HD2%) (( segid "T22D" and resid 46 and name HB )) 3.700 1.800 1.800 peak 498 spectrum 1 weight 0.10000E+01 volume 0.13361E-02 ppm1 0.932 ppm2 3.755 CV 1 OR { 498} ( segid "T22D" and resid 51 and name HD2%) (( segid "T22D" and resid 66 and name HA )) OR { 498} ( segid "T22D" and resid 51 and name HD2%) (( segid "T22D" and resid 79 and name HA1 )) OR { 498} ( segid "T22D" and resid 51 and name HD2%) (( segid "T22D" and resid 52 and name HA )) OR { 498} ( segid "T22D" and resid 51 and name HD2%) (( segid "T22D" and resid 43 and name HD1 )) ASSI { 500} ( segid "T22D" and resid 51 and name HD2%) (( segid "T22D" and resid 54 and name HB2 )) 4.200 2.200 1.800 peak 500 spectrum 1 weight 0.10000E+01 volume 0.63490E-03 ppm1 0.927 ppm2 3.230 CV 1 OR { 500} ( segid "T22D" and resid 51 and name HD2%) (( segid "T22D" and resid 55 and name HB2 )) ASSI { 506} (( segid "T22D" and resid 74 and name HG1 )) (( segid "T22D" and resid 72 and name HB )) 2.200 0.600 0.600 peak 506 spectrum 1 weight 0.10000E+01 volume 0.93140E-02 ppm1 1.382 ppm2 4.363 CV 1 OR { 506} (( segid "T22D" and resid 74 and name HG2 )) (( segid "T22D" and resid 72 and name HB )) OR { 506} (( segid "T22D" and resid 74 and name HG1 )) (( segid "T22D" and resid 74 and name HA )) OR { 506} (( segid "T22D" and resid 74 and name HG2 )) (( segid "T22D" and resid 74 and name HA )) OR { 506} (( segid "T22D" and resid 74 and name HG2 )) (( segid "T22D" and resid 72 and name HA )) ASSI { 521} (( segid "T22D" and resid 36 and name HG1 )) (( segid "T22D" and resid 36 and name HD2 )) 2.800 1.000 1.000 peak 521 spectrum 1 weight 0.10000E+01 volume 0.22288E-02 ppm1 0.970 ppm2 1.644 CV 1 OR { 521} (( segid "T22D" and resid 36 and name HG1 )) ( segid "T22D" and resid 110 and name HB% ) ASSI { 534} (( segid "T22D" and resid 84 and name HG1 )) (( segid "T22D" and resid 62 and name HA )) 3.400 1.400 1.400 peak 534 spectrum 1 weight 0.10000E+01 volume 0.22986E-02 ppm1 1.368 ppm2 4.388 CV 1 OR { 534} (( segid "T22D" and resid 84 and name HG2 )) (( segid "T22D" and resid 62 and name HA )) OR { 534} (( segid "T22D" and resid 36 and name HG2 )) (( segid "T22D" and resid 35 and name HA )) ASSI { 547} ( segid "T22D" and resid 42 and name HD1%) (( segid "T22D" and resid 42 and name HG )) 2.800 1.000 1.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.15308E-02 ppm1 0.447 ppm2 1.313 CV 1 OR { 547} ( segid "T22D" and resid 42 and name HD1%) ( segid "T22D" and resid 105 and name HB% ) OR { 547} ( segid "T22D" and resid 42 and name HD1%) (( segid "T22D" and resid 51 and name HB2 )) ASSI { 548} ( segid "T22D" and resid 42 and name HD1%) ( segid "T22D" and resid 51 and name HD1%) 2.400 0.700 0.700 peak 548 spectrum 1 weight 0.10000E+01 volume 0.58899E-02 ppm1 0.442 ppm2 0.591 CV 1 OR { 548} ( segid "T22D" and resid 42 and name HD1%) ( segid "T22D" and resid 39 and name HG2%) ASSI { 592} ( segid "T22D" and resid 109 and name HD1%) (( segid "T22D" and resid 34 and name HB1 )) 3.600 1.600 1.600 peak 592 spectrum 1 weight 0.10000E+01 volume 0.95946E-03 ppm1 1.342 ppm2 2.793 CV 1 OR { 592} ( segid "T22D" and resid 109 and name HD1%) (( segid "T22D" and resid 93 and name HB2 )) OR { 592} (( segid "T22D" and resid 84 and name HG2 )) (( segid "T22D" and resid 85 and name HB2 )) OR { 592} ( segid "T22D" and resid 109 and name HD1%) (( segid "T22D" and resid 108 and name HB2 )) ASSI { 606} (( segid "T22D" and resid 98 and name HG2 )) ( segid "T22D" and resid 105 and name HB% ) 3.300 1.400 1.400 peak 606 spectrum 1 weight 0.10000E+01 volume 0.86847E-03 ppm1 1.975 ppm2 1.314 CV 1 OR { 606} (( segid "T22D" and resid 98 and name HG1 )) ( segid "T22D" and resid 105 and name HB% ) OR { 606} (( segid "T22D" and resid 98 and name HG2 )) (( segid "T22D" and resid 100 and name HB )) ASSI { 612} (( segid "T22D" and resid 86 and name HG2 )) (( segid "T22D" and resid 90 and name HG2 )) 4.200 2.200 1.800 peak 612 spectrum 1 weight 0.10000E+01 volume 0.73223E-03 ppm1 1.812 ppm2 2.552 CV 1 OR { 612} (( segid "T22D" and resid 86 and name HG2 )) (( segid "T22D" and resid 83 and name HB1 )) OR { 612} (( segid "T22D" and resid 86 and name HG2 )) (( segid "T22D" and resid 83 and name HG2 )) ASSI { 613} (( segid "T22D" and resid 86 and name HG1 )) (( segid "T22D" and resid 90 and name HG2 )) 4.300 2.300 1.700 peak 613 spectrum 1 weight 0.10000E+01 volume 0.68186E-03 ppm1 1.649 ppm2 2.559 CV 1 OR { 613} (( segid "T22D" and resid 86 and name HG1 )) (( segid "T22D" and resid 83 and name HB1 )) OR { 613} (( segid "T22D" and resid 86 and name HG1 )) (( segid "T22D" and resid 83 and name HG2 )) ASSI { 649} (( segid "T22D" and resid 109 and name HG )) (( segid "T22D" and resid 109 and name HB1 )) 3.100 1.200 1.200 peak 649 spectrum 1 weight 0.10000E+01 volume 0.18246E-02 ppm1 2.075 ppm2 1.800 CV 1 OR { 649} (( segid "T22D" and resid 116 and name HG2 )) (( segid "T22D" and resid 115 and name HB1 )) ASSI { 660} (( segid "T22D" and resid 99 and name HG12)) (( segid "T22D" and resid 104 and name HB2 )) 4.100 2.100 1.900 peak 660 spectrum 1 weight 0.10000E+01 volume 0.83382E-03 ppm1 1.149 ppm2 1.600 CV 1 OR { 660} (( segid "T22D" and resid 99 and name HG12)) (( segid "T22D" and resid 98 and name HB2 )) OR { 660} (( segid "T22D" and resid 99 and name HG12)) (( segid "T22D" and resid 104 and name HD2 )) OR { 660} (( segid "T22D" and resid 99 and name HG12)) (( segid "T22D" and resid 104 and name HD1 )) ASSI { 661} (( segid "T22D" and resid 99 and name HG12)) (( segid "T22D" and resid 104 and name HG2 )) 3.700 1.700 1.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.13045E-02 ppm1 1.150 ppm2 1.332 CV 1 OR { 661} (( segid "T22D" and resid 67 and name HG12)) (( segid "T22D" and resid 76 and name HB1 )) OR { 661} (( segid "T22D" and resid 99 and name HG12)) (( segid "T22D" and resid 104 and name HG1 )) OR { 661} (( segid "T22D" and resid 99 and name HG12)) ( segid "T22D" and resid 105 and name HB% ) OR { 661} (( segid "T22D" and resid 99 and name HG12)) (( segid "T22D" and resid 100 and name HB )) ASSI { 742} (( segid "T22D" and resid 37 and name HG11)) (( segid "T22D" and resid 89 and name HA )) 3.300 1.400 1.400 peak 742 spectrum 1 weight 0.10000E+01 volume 0.35326E-02 ppm1 1.710 ppm2 4.095 CV 1 OR { 742} (( segid "T22D" and resid 84 and name HD2 )) (( segid "T22D" and resid 84 and name HA )) OR { 742} (( segid "T22D" and resid 84 and name HD1 )) (( segid "T22D" and resid 84 and name HA )) OR { 742} (( segid "T22D" and resid 37 and name HG11)) (( segid "T22D" and resid 90 and name HA )) ASSI { 745} (( segid "T22D" and resid 84 and name HD2 )) ( segid "T22D" and resid 61 and name HG2%) 2.700 2.700 3.300 peak 745 spectrum 1 weight 0.10000E+01 volume 0.11955E-02 ppm1 1.713 ppm2 0.588 CV 1 OR { 745} (( segid "T22D" and resid 84 and name HD1 )) ( segid "T22D" and resid 61 and name HG2%) OR { 745} (( segid "T22D" and resid 49 and name HD2 )) ( segid "T22D" and resid 66 and name HG2%) OR { 745} (( segid "T22D" and resid 49 and name HD2 )) ( segid "T22D" and resid 51 and name HD1%) OR { 745} (( segid "T22D" and resid 49 and name HD2 )) ( segid "T22D" and resid 61 and name HG2%) OR { 745} (( segid "T22D" and resid 91 and name HG1 )) ( segid "T22D" and resid 39 and name HG2%) OR { 745} (( segid "T22D" and resid 94 and name HD1 )) ( segid "T22D" and resid 39 and name HG2%) ASSI { 790} (( segid "T22D" and resid 86 and name HB2 )) (( segid "T22D" and resid 86 and name HG1 )) 1.800 0.400 0.400 peak 790 spectrum 1 weight 0.10000E+01 volume 0.32412E-01 ppm1 1.853 ppm2 1.695 CV 1 OR { 790} (( segid "T22D" and resid 70 and name HB2 )) (( segid "T22D" and resid 70 and name HG1 )) OR { 790} (( segid "T22D" and resid 70 and name HB1 )) (( segid "T22D" and resid 70 and name HG2 )) OR { 790} (( segid "T22D" and resid 70 and name HB1 )) (( segid "T22D" and resid 70 and name HG1 )) OR { 790} (( segid "T22D" and resid 70 and name HB2 )) (( segid "T22D" and resid 70 and name HG2 )) OR { 790} (( segid "T22D" and resid 86 and name HB1 )) (( segid "T22D" and resid 86 and name HG1 )) ASSI { 813} (( segid "T22D" and resid 62 and name HB2 )) (( segid "T22D" and resid 83 and name HB1 )) 4.000 2.000 2.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.73027E-03 ppm1 1.830 ppm2 2.565 CV 1 OR { 813} (( segid "T22D" and resid 62 and name HB2 )) (( segid "T22D" and resid 60 and name HB1 )) OR { 813} (( segid "T22D" and resid 62 and name HB2 )) (( segid "T22D" and resid 60 and name HB2 )) OR { 813} (( segid "T22D" and resid 62 and name HB2 )) (( segid "T22D" and resid 83 and name HG2 )) ASSI { 814} (( segid "T22D" and resid 62 and name HB2 )) ( segid "T22D" and resid 81 and name HG1%) 4.600 2.700 1.400 peak 814 spectrum 1 weight 0.10000E+01 volume 0.40921E-03 ppm1 1.823 ppm2 0.511 CV 1 OR { 814} (( segid "T22D" and resid 62 and name HB2 )) (( segid "T22D" and resid 37 and name HG12)) ASSI { 818} (( segid "T22D" and resid 62 and name HB1 )) (( segid "T22D" and resid 84 and name HA )) 4.100 2.100 1.900 peak 818 spectrum 1 weight 0.10000E+01 volume 0.16634E-02 ppm1 1.703 ppm2 4.097 CV 1 OR { 818} (( segid "T22D" and resid 62 and name HB1 )) (( segid "T22D" and resid 61 and name HA )) ASSI { 890} (( segid "T22D" and resid 83 and name HB1 )) (( segid "T22D" and resid 83 and name HB2 )) 2.500 0.800 0.800 peak 890 spectrum 1 weight 0.10000E+01 volume 0.24579E-02 ppm1 2.563 ppm2 2.056 CV 1 OR { 890} (( segid "T22D" and resid 27 and name HG1 )) (( segid "T22D" and resid 27 and name HB2 )) OR { 890} (( segid "T22D" and resid 27 and name HG2 )) (( segid "T22D" and resid 27 and name HB2 )) OR { 890} (( segid "T22D" and resid 27 and name HG2 )) ( segid "T22D" and resid 27 and name HE% ) OR { 890} (( segid "T22D" and resid 27 and name HG1 )) ( segid "T22D" and resid 27 and name HE% ) ASSI { 902} (( segid "T22D" and resid 39 and name HB )) (( segid "T22D" and resid 39 and name HA )) 3.400 1.400 1.400 peak 902 spectrum 1 weight 0.10000E+01 volume 0.79658E-03 ppm1 1.446 ppm2 4.369 CV 1 OR { 902} (( segid "T22D" and resid 39 and name HB )) (( segid "T22D" and resid 42 and name HA )) ASSI { 907} (( segid "T22D" and resid 83 and name HG2 )) ( segid "T22D" and resid 81 and name HG1%) 3.400 1.500 1.500 peak 907 spectrum 1 weight 0.10000E+01 volume 0.72856E-03 ppm1 2.567 ppm2 0.528 CV 1 OR { 907} (( segid "T22D" and resid 83 and name HG2 )) (( segid "T22D" and resid 37 and name HG12)) OR { 907} (( segid "T22D" and resid 83 and name HB1 )) ( segid "T22D" and resid 81 and name HG1%) ASSI { 910} (( segid "T22D" and resid 83 and name HB1 )) (( segid "T22D" and resid 88 and name HB2 )) 3.000 1.200 1.200 peak 910 spectrum 1 weight 0.10000E+01 volume 0.20149E-02 ppm1 2.557 ppm2 4.106 CV 1 OR { 910} (( segid "T22D" and resid 83 and name HG2 )) (( segid "T22D" and resid 89 and name HA )) OR { 910} (( segid "T22D" and resid 83 and name HB1 )) (( segid "T22D" and resid 61 and name HA )) OR { 910} (( segid "T22D" and resid 83 and name HB1 )) (( segid "T22D" and resid 89 and name HA )) OR { 910} (( segid "T22D" and resid 83 and name HG2 )) (( segid "T22D" and resid 88 and name HB2 )) ASSI { 929} (( segid "T22D" and resid 83 and name HG1 )) (( segid "T22D" and resid 89 and name HA )) 2.400 0.700 0.700 peak 929 spectrum 1 weight 0.10000E+01 volume 0.14253E-02 ppm1 2.251 ppm2 4.105 CV 1 OR { 929} (( segid "T22D" and resid 83 and name HG1 )) (( segid "T22D" and resid 88 and name HB2 )) ASSI { 933} (( segid "T22D" and resid 49 and name HB1 )) (( segid "T22D" and resid 49 and name HE2 )) 3.100 1.200 1.200 peak 933 spectrum 1 weight 0.10000E+01 volume 0.25050E-02 ppm1 1.813 ppm2 2.998 CV 1 OR { 933} (( segid "T22D" and resid 49 and name HB1 )) (( segid "T22D" and resid 49 and name HE1 )) OR { 933} (( segid "T22D" and resid 115 and name HB1 )) (( segid "T22D" and resid 115 and name HE2 )) OR { 933} (( segid "T22D" and resid 115 and name HB1 )) (( segid "T22D" and resid 115 and name HE1 )) OR { 933} (( segid "T22D" and resid 94 and name HB1 )) (( segid "T22D" and resid 94 and name HE2 )) OR { 933} (( segid "T22D" and resid 94 and name HB1 )) (( segid "T22D" and resid 94 and name HE1 )) ASSI { 941} (( segid "T22D" and resid 83 and name HG2 )) (( segid "T22D" and resid 89 and name HA )) 3.700 1.700 1.700 peak 941 spectrum 1 weight 0.10000E+01 volume 0.12688E-02 ppm1 2.520 ppm2 4.112 CV 1 OR { 941} (( segid "T22D" and resid 83 and name HB1 )) (( segid "T22D" and resid 61 and name HA )) OR { 941} (( segid "T22D" and resid 83 and name HB1 )) (( segid "T22D" and resid 89 and name HA )) OR { 941} (( segid "T22D" and resid 83 and name HG2 )) (( segid "T22D" and resid 61 and name HA )) ASSI { 942} (( segid "T22D" and resid 83 and name HG2 )) ( segid "T22D" and resid 92 and name HB% ) 4.100 2.100 1.900 peak 942 spectrum 1 weight 0.10000E+01 volume 0.59612E-03 ppm1 2.568 ppm2 1.415 CV 1 OR { 942} (( segid "T22D" and resid 27 and name HG1 )) ( segid "T22D" and resid 26 and name HB% ) OR { 942} (( segid "T22D" and resid 83 and name HB1 )) ( segid "T22D" and resid 92 and name HB% ) OR { 942} (( segid "T22D" and resid 83 and name HB1 )) (( segid "T22D" and resid 84 and name HG2 )) OR { 942} (( segid "T22D" and resid 83 and name HB1 )) (( segid "T22D" and resid 84 and name HG1 )) ASSI { 943} (( segid "T22D" and resid 83 and name HG1 )) ( segid "T22D" and resid 92 and name HB% ) 4.000 2.000 2.000 peak 943 spectrum 1 weight 0.10000E+01 volume 0.55675E-03 ppm1 2.261 ppm2 1.423 CV 1 OR { 943} (( segid "T22D" and resid 116 and name HB1 )) (( segid "T22D" and resid 115 and name HG1 )) ASSI { 945} (( segid "T22D" and resid 116 and name HB1 )) (( segid "T22D" and resid 116 and name HG1 )) 2.400 0.800 0.800 peak 945 spectrum 1 weight 0.10000E+01 volume 0.46685E-02 ppm1 2.278 ppm2 2.000 CV 1 OR { 945} (( segid "T22D" and resid 83 and name HG1 )) (( segid "T22D" and resid 83 and name HB2 )) OR { 945} (( segid "T22D" and resid 116 and name HB1 )) (( segid "T22D" and resid 116 and name HG2 )) ASSI { 959} (( segid "T22D" and resid 120 and name HB )) (( segid "T22D" and resid 120 and name HA )) 3.000 1.100 1.100 peak 959 spectrum 1 weight 0.10000E+01 volume 0.28792E-02 ppm1 2.104 ppm2 4.120 CV 1 OR { 959} (( segid "T22D" and resid 120 and name HB )) (( segid "T22D" and resid 121 and name HA )) ASSI { 966} (( segid "T22D" and resid 84 and name HB2 )) (( segid "T22D" and resid 84 and name HA )) 2.700 0.900 0.900 peak 966 spectrum 1 weight 0.10000E+01 volume 0.28965E-02 ppm1 1.864 ppm2 4.065 CV 1 OR { 966} (( segid "T22D" and resid 66 and name HB )) (( segid "T22D" and resid 48 and name HA )) OR { 966} (( segid "T22D" and resid 66 and name HB )) (( segid "T22D" and resid 67 and name HA )) OR { 966} (( segid "T22D" and resid 49 and name HB2 )) (( segid "T22D" and resid 48 and name HA )) ASSI { 969} (( segid "T22D" and resid 84 and name HB2 )) (( segid "T22D" and resid 84 and name HA )) 2.300 0.700 0.700 peak 969 spectrum 1 weight 0.10000E+01 volume 0.71714E-02 ppm1 1.902 ppm2 4.094 CV 1 OR { 969} (( segid "T22D" and resid 84 and name HB2 )) (( segid "T22D" and resid 61 and name HA )) OR { 969} (( segid "T22D" and resid 66 and name HB )) (( segid "T22D" and resid 48 and name HA )) ASSI { 973} (( segid "T22D" and resid 84 and name HB1 )) (( segid "T22D" and resid 84 and name HA )) 2.600 0.800 0.800 peak 973 spectrum 1 weight 0.10000E+01 volume 0.65742E-02 ppm1 1.727 ppm2 4.096 CV 1 OR { 973} (( segid "T22D" and resid 84 and name HB1 )) (( segid "T22D" and resid 61 and name HA )) ASSI { 979} (( segid "T22D" and resid 84 and name HB1 )) (( segid "T22D" and resid 84 and name HG2 )) 2.200 0.600 0.600 peak 979 spectrum 1 weight 0.10000E+01 volume 0.69937E-02 ppm1 1.770 ppm2 1.378 CV 1 OR { 979} (( segid "T22D" and resid 74 and name HB2 )) (( segid "T22D" and resid 74 and name HG2 )) OR { 979} (( segid "T22D" and resid 74 and name HB2 )) (( segid "T22D" and resid 74 and name HG1 )) OR { 979} (( segid "T22D" and resid 84 and name HB1 )) (( segid "T22D" and resid 84 and name HG1 )) ASSI { 1015} (( segid "T22D" and resid 73 and name HG1 )) (( segid "T22D" and resid 72 and name HA )) 2.800 1.000 1.000 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.20861E-02 ppm1 2.290 ppm2 4.399 CV 1 OR { 1015} (( segid "T22D" and resid 73 and name HG1 )) (( segid "T22D" and resid 74 and name HA )) ASSI { 1030} (( segid "T22D" and resid 103 and name HB2 )) (( segid "T22D" and resid 43 and name HG1 )) 3.500 1.600 1.600 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.53619E-03 ppm1 1.514 ppm2 2.234 CV 1 OR { 1030} (( segid "T22D" and resid 103 and name HB2 )) (( segid "T22D" and resid 101 and name HB1 )) ASSI { 1042} (( segid "T22D" and resid 81 and name HB )) (( segid "T22D" and resid 82 and name HA )) 4.100 2.100 1.900 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.71593E-03 ppm1 1.093 ppm2 5.252 CV 1 OR { 1042} (( segid "T22D" and resid 81 and name HB )) (( segid "T22D" and resid 64 and name HA )) ASSI { 1092} (( segid "T22D" and resid 44 and name HB1 )) (( segid "T22D" and resid 75 and name HB1 )) 4.100 2.100 1.900 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.43866E-03 ppm1 3.261 ppm2 4.009 CV 1 OR { 1092} (( segid "T22D" and resid 111 and name HB2 )) (( segid "T22D" and resid 114 and name HA )) ASSI { 1258} (( segid "T22D" and resid 61 and name HB )) (( segid "T22D" and resid 56 and name HA )) 4.200 2.200 1.800 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.51764E-03 ppm1 1.484 ppm2 4.402 CV 1 OR { 1258} (( segid "T22D" and resid 61 and name HB )) (( segid "T22D" and resid 62 and name HA )) ASSI { 1345} (( segid "T22D" and resid 109 and name HB2 )) ( segid "T22D" and resid 112 and name HD1%) 2.700 0.900 0.900 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.31837E-02 ppm1 1.916 ppm2 0.941 CV 1 OR { 1345} (( segid "T22D" and resid 109 and name HB2 )) ( segid "T22D" and resid 109 and name HD2%) ASSI { 1351} (( segid "T22D" and resid 94 and name HE1 )) (( segid "T22D" and resid 90 and name HG1 )) 3.000 3.000 3.000 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.15949E-02 ppm1 3.020 ppm2 2.245 CV 1 OR { 1351} (( segid "T22D" and resid 94 and name HE2 )) (( segid "T22D" and resid 90 and name HG1 )) OR { 1351} (( segid "T22D" and resid 49 and name HE2 )) (( segid "T22D" and resid 53 and name HB2 )) OR { 1351} (( segid "T22D" and resid 49 and name HE1 )) (( segid "T22D" and resid 53 and name HB2 )) OR { 1351} (( segid "T22D" and resid 115 and name HE2 )) (( segid "3T5T" and resid 4 and name H2'')) OR { 1351} (( segid "T22D" and resid 115 and name HE1 )) (( segid "3T5T" and resid 4 and name H2'')) OR { 1351} (( segid "T22D" and resid 108 and name HB1 )) (( segid "T22D" and resid 90 and name HG1 )) OR { 1351} (( segid "T22D" and resid 108 and name HB1 )) (( segid "3T5T" and resid 4 and name H2'')) OR { 1351} (( segid "T22D" and resid 108 and name HB1 )) (( segid "T22D" and resid 90 and name HB2 )) OR { 1351} (( segid "T22D" and resid 115 and name HE2 )) (( segid "T22D" and resid 36 and name HE2 )) OR { 1351} (( segid "T22D" and resid 115 and name HE1 )) (( segid "T22D" and resid 36 and name HE2 )) ASSI { 1358} (( segid "T22D" and resid 51 and name HB2 )) ( segid "T22D" and resid 42 and name HD1%) 4.400 2.500 1.600 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.10591E-02 ppm1 1.299 ppm2 0.447 CV 1 OR { 1358} (( segid "T22D" and resid 51 and name HB2 )) ( segid "T22D" and resid 100 and name HG2%) ASSI { 1359} (( segid "T22D" and resid 94 and name HE1 )) (( segid "T22D" and resid 94 and name HD1 )) 2.600 0.900 0.900 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.43961E-02 ppm1 3.009 ppm2 1.781 CV 1 OR { 1359} (( segid "T22D" and resid 94 and name HE2 )) (( segid "T22D" and resid 94 and name HD2 )) OR { 1359} (( segid "T22D" and resid 94 and name HE2 )) (( segid "T22D" and resid 94 and name HD1 )) OR { 1359} (( segid "T22D" and resid 94 and name HE1 )) (( segid "T22D" and resid 94 and name HD2 )) OR { 1359} (( segid "T22D" and resid 49 and name HE2 )) (( segid "T22D" and resid 49 and name HB1 )) OR { 1359} (( segid "T22D" and resid 49 and name HE1 )) (( segid "T22D" and resid 49 and name HB1 )) OR { 1359} (( segid "T22D" and resid 115 and name HE1 )) (( segid "T22D" and resid 115 and name HB1 )) ASSI { 1364} (( segid "T22D" and resid 51 and name HB2 )) ( segid "T22D" and resid 46 and name HG2%) 4.100 2.100 1.900 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.11830E-02 ppm1 1.308 ppm2 1.136 CV 1 OR { 1364} (( segid "T22D" and resid 51 and name HB2 )) (( segid "T22D" and resid 81 and name HB )) ASSI { 1369} (( segid "T22D" and resid 51 and name HB1 )) ( segid "T22D" and resid 46 and name HG2%) 4.500 2.500 1.500 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.71434E-03 ppm1 1.933 ppm2 1.135 CV 1 OR { 1369} (( segid "T22D" and resid 51 and name HB1 )) (( segid "T22D" and resid 81 and name HB )) ASSI { 1371} (( segid "T22D" and resid 51 and name HB1 )) ( segid "T22D" and resid 42 and name HD1%) 4.700 2.700 1.300 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.51580E-03 ppm1 1.925 ppm2 0.441 CV 1 OR { 1371} (( segid "T22D" and resid 51 and name HB1 )) ( segid "T22D" and resid 100 and name HG2%) ASSI { 1398} (( segid "T22D" and resid 117 and name HD1 )) (( segid "T22D" and resid 27 and name HB2 )) 2.800 2.800 3.200 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.20039E-02 ppm1 3.195 ppm2 2.093 CV 1 OR { 1398} (( segid "T22D" and resid 117 and name HD1 )) ( segid "T22D" and resid 27 and name HE% ) OR { 1398} (( segid "T22D" and resid 117 and name HD2 )) (( segid "T22D" and resid 120 and name HB )) OR { 1398} (( segid "T22D" and resid 117 and name HD2 )) (( segid "T22D" and resid 27 and name HB2 )) OR { 1398} (( segid "T22D" and resid 117 and name HD2 )) ( segid "T22D" and resid 27 and name HE% ) OR { 1398} (( segid "T22D" and resid 117 and name HD1 )) (( segid "T22D" and resid 120 and name HB )) OR { 1398} (( segid "T22D" and resid 30 and name HD2 )) (( segid "T22D" and resid 36 and name HB2 )) OR { 1398} (( segid "T22D" and resid 30 and name HD1 )) (( segid "T22D" and resid 36 and name HB2 )) OR { 1398} (( segid "T22D" and resid 30 and name HD2 )) (( segid "T22D" and resid 27 and name HB2 )) OR { 1398} (( segid "T22D" and resid 30 and name HD2 )) ( segid "T22D" and resid 27 and name HE% ) OR { 1398} (( segid "T22D" and resid 30 and name HD1 )) (( segid "T22D" and resid 27 and name HB2 )) OR { 1398} (( segid "T22D" and resid 30 and name HD1 )) ( segid "T22D" and resid 27 and name HE% ) ASSI { 1407} (( segid "T22D" and resid 70 and name HD2 )) (( segid "T22D" and resid 73 and name HG2 )) 2.500 2.500 3.500 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.17243E-02 ppm1 3.195 ppm2 2.342 CV 1 OR { 1407} (( segid "T22D" and resid 70 and name HD1 )) (( segid "T22D" and resid 73 and name HG2 )) OR { 1407} (( segid "T22D" and resid 70 and name HD2 )) (( segid "T22D" and resid 73 and name HG1 )) OR { 1407} (( segid "T22D" and resid 70 and name HD1 )) (( segid "T22D" and resid 73 and name HG1 )) OR { 1407} (( segid "T22D" and resid 117 and name HD1 )) (( segid "T22D" and resid 116 and name HB1 )) OR { 1407} (( segid "T22D" and resid 117 and name HD2 )) (( segid "T22D" and resid 116 and name HB1 )) OR { 1407} (( segid "T22D" and resid 70 and name HD1 )) (( segid "3T5T" and resid 7 and name H2' )) OR { 1407} (( segid "T22D" and resid 70 and name HD2 )) (( segid "T22D" and resid 73 and name HB1 )) OR { 1407} (( segid "T22D" and resid 70 and name HD1 )) (( segid "T22D" and resid 73 and name HB1 )) ASSI { 1439} (( segid "T22D" and resid 85 and name HB1 )) (( segid "T22D" and resid 84 and name HG2 )) 3.700 1.700 1.700 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.80325E-03 ppm1 2.967 ppm2 1.370 CV 1 OR { 1439} (( segid "T22D" and resid 86 and name HD1 )) ( segid "T22D" and resid 109 and name HD1%) ASSI { 1440} (( segid "T22D" and resid 85 and name HB1 )) (( segid "T22D" and resid 84 and name HB1 )) 3.000 1.100 1.100 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.18665E-02 ppm1 2.976 ppm2 1.717 CV 1 OR { 1440} (( segid "T22D" and resid 85 and name HB1 )) (( segid "T22D" and resid 91 and name HG1 )) ASSI { 1441} (( segid "T22D" and resid 86 and name HD1 )) ( segid "T22D" and resid 35 and name HG2%) 3.700 1.700 1.700 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.83127E-03 ppm1 2.998 ppm2 0.797 CV 1 OR { 1441} (( segid "T22D" and resid 85 and name HB1 )) ( segid "T22D" and resid 35 and name HG2%) ASSI { 1461} (( segid "T22D" and resid 80 and name HB2 )) (( segid "T22D" and resid 36 and name HE2 )) 4.100 2.100 1.900 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.10306E-02 ppm1 2.772 ppm2 2.241 CV 1 OR { 1461} (( segid "T22D" and resid 85 and name HB2 )) (( segid "T22D" and resid 83 and name HG1 )) ASSI { 1471} (( segid "T22D" and resid 113 and name HA1 )) (( segid "3T5T" and resid 4 and name H2' )) 3.600 3.600 2.400 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.10389E-02 ppm1 4.152 ppm2 2.038 CV 1 OR { 1471} (( segid "T22D" and resid 113 and name HA1 )) (( segid "T22D" and resid 116 and name HG1 )) ASSI { 1480} (( segid "T22D" and resid 79 and name HA1 )) (( segid "T22D" and resid 67 and name HB )) 4.200 2.200 1.800 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.79199E-03 ppm1 3.819 ppm2 0.938 CV 1 OR { 1480} (( segid "T22D" and resid 79 and name HA1 )) ( segid "T22D" and resid 65 and name HG2%) OR { 1480} (( segid "T22D" and resid 79 and name HA1 )) ( segid "T22D" and resid 51 and name HD2%) ASSI { 1486} (( segid "T22D" and resid 28 and name HA2 )) (( segid "T22D" and resid 30 and name HG2 )) 4.000 2.000 2.000 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.53603E-03 ppm1 3.961 ppm2 1.696 CV 1 OR { 1486} (( segid "T22D" and resid 28 and name HA1 )) (( segid "T22D" and resid 30 and name HG2 )) OR { 1486} (( segid "T22D" and resid 79 and name HA2 )) (( segid "T22D" and resid 76 and name HG1 )) OR { 1486} (( segid "T22D" and resid 79 and name HA2 )) ( segid "T22D" and resid 110 and name HB% ) ASSI { 1583} (( segid "T22D" and resid 105 and name HA )) ( segid "T22D" and resid 42 and name HD2%) 4.200 2.200 1.800 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.50563E-03 ppm1 4.747 ppm2 0.671 CV 1 OR { 1583} (( segid "T22D" and resid 105 and name HA )) ( segid "T22D" and resid 39 and name HG1%) ASSI { 1597} (( segid "T22D" and resid 64 and name HA )) (( segid "T22D" and resid 51 and name HB1 )) 4.100 2.100 1.900 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.73640E-03 ppm1 5.257 ppm2 1.929 CV 1 OR { 1597} (( segid "T22D" and resid 64 and name HA )) (( segid "T22D" and resid 65 and name HB )) OR { 1597} (( segid "T22D" and resid 64 and name HA )) (( segid "T22D" and resid 37 and name HB )) ASSI { 1621} (( segid "T22D" and resid 42 and name HA )) (( segid "T22D" and resid 77 and name HA1 )) 4.000 2.000 2.000 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.73795E-03 ppm1 4.321 ppm2 3.214 CV 1 OR { 1621} (( segid "T22D" and resid 42 and name HA )) (( segid "T22D" and resid 98 and name HD2 )) OR { 1621} (( segid "T22D" and resid 26 and name HA )) (( segid "T22D" and resid 117 and name HD1 )) OR { 1621} (( segid "T22D" and resid 26 and name HA )) (( segid "T22D" and resid 117 and name HD2 )) OR { 1621} (( segid "T22D" and resid 42 and name HA )) (( segid "T22D" and resid 44 and name HB1 )) ASSI { 1673} (( segid "T22D" and resid 69 and name HA )) ( segid "T22D" and resid 68 and name HG2%) 4.500 2.500 1.500 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.47831E-03 ppm1 4.607 ppm2 0.970 CV 1 OR { 1673} (( segid "T22D" and resid 69 and name HA )) (( segid "T22D" and resid 67 and name HB )) ASSI { 1694} (( segid "T22D" and resid 78 and name HA )) ( segid "T22D" and resid 51 and name HD1%) 5.000 3.100 1.000 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.49896E-03 ppm1 4.999 ppm2 0.595 CV 1 OR { 1694} (( segid "T22D" and resid 78 and name HA )) ( segid "T22D" and resid 39 and name HG2%) ASSI { 1704} (( segid "T22D" and resid 87 and name HA )) ( segid "T22D" and resid 109 and name HD1%) 4.000 2.000 2.000 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.68311E-03 ppm1 4.231 ppm2 1.381 CV 1 OR { 1704} (( segid "T22D" and resid 87 and name HA )) ( segid "T22D" and resid 92 and name HB% ) ASSI { 1723} (( segid "T22D" and resid 110 and name HA )) ( segid "T22D" and resid 80 and name HE% ) 4.300 2.300 1.700 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.56359E-03 ppm1 4.120 ppm2 7.121 CV 1 OR { 1723} (( segid "T22D" and resid 110 and name HA )) ( segid "T22D" and resid 111 and name HD% ) ASSI { 1746} (( segid "T22D" and resid 63 and name HA )) ( segid "T22D" and resid 65 and name HG2%) 4.400 2.400 1.600 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.66659E-03 ppm1 4.538 ppm2 0.933 CV 1 OR { 1746} (( segid "T22D" and resid 63 and name HA )) (( segid "T22D" and resid 61 and name HG12)) ASSI { 1784} (( segid "T22D" and resid 36 and name HA )) (( segid "T22D" and resid 36 and name HE1 )) 4.500 2.500 1.500 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.67464E-03 ppm1 4.960 ppm2 2.784 CV 1 OR { 1784} (( segid "T22D" and resid 36 and name HA )) (( segid "T22D" and resid 80 and name HB2 )) OR { 1784} (( segid "T22D" and resid 36 and name HA )) (( segid "T22D" and resid 38 and name HB2 )) ASSI { 1807} (( segid "T22D" and resid 109 and name HA )) (( segid "T22D" and resid 108 and name HB2 )) 4.400 2.400 1.600 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.48190E-03 ppm1 4.476 ppm2 2.784 CV 1 OR { 1807} (( segid "T22D" and resid 109 and name HA )) (( segid "T22D" and resid 93 and name HB2 )) OR { 1807} (( segid "T22D" and resid 109 and name HA )) (( segid "T22D" and resid 38 and name HB2 )) OR { 1807} (( segid "T22D" and resid 109 and name HA )) (( segid "T22D" and resid 34 and name HB1 )) ASSI { 1824} (( segid "T22D" and resid 38 and name HA )) ( segid "T22D" and resid 38 and name HD% ) 3.200 1.300 1.300 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.85075E-03 ppm1 4.588 ppm2 6.638 CV 1 OR { 1824} (( segid "T22D" and resid 38 and name HA )) ( segid "T22D" and resid 80 and name HD% ) ASSI { 1837} (( segid "T22D" and resid 34 and name HA )) (( segid "T22D" and resid 111 and name HB1 )) 4.200 2.200 1.800 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.45479E-03 ppm1 4.962 ppm2 2.954 CV 1 OR { 1837} (( segid "T22D" and resid 34 and name HA )) (( segid "T22D" and resid 86 and name HD1 )) ASSI { 1844} (( segid "T22D" and resid 38 and name HA )) ( segid "T22D" and resid 37 and name HG2%) 4.000 2.000 2.000 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.64833E-03 ppm1 4.586 ppm2 0.684 CV 1 OR { 1844} (( segid "T22D" and resid 38 and name HA )) ( segid "T22D" and resid 39 and name HG1%) OR { 1844} (( segid "T22D" and resid 38 and name HA )) ( segid "T22D" and resid 37 and name HD1%) ASSI { 1888} (( segid "T22D" and resid 51 and name HA )) ( segid "T22D" and resid 46 and name HG2%) 3.600 1.600 1.600 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.15185E-02 ppm1 4.104 ppm2 1.156 CV 1 OR { 1888} (( segid "T22D" and resid 51 and name HA )) (( segid "T22D" and resid 42 and name HB1 )) ASSI { 1892} (( segid "T22D" and resid 65 and name HA )) (( segid "T22D" and resid 48 and name HA )) 3.000 1.100 1.100 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.17681E-02 ppm1 4.754 ppm2 4.054 CV 1 OR { 1892} (( segid "T22D" and resid 58 and name HA )) (( segid "T22D" and resid 57 and name HA )) ASSI { 1896} (( segid "T22D" and resid 67 and name HA )) ( segid "T22D" and resid 67 and name HD1%) 2.000 0.500 0.500 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.10739E-01 ppm1 4.098 ppm2 0.767 CV 1 OR { 1896} (( segid "T22D" and resid 86 and name HA )) ( segid "T22D" and resid 35 and name HG2%) ASSI { 1897} (( segid "T22D" and resid 65 and name HA )) ( segid "T22D" and resid 66 and name HG2%) 3.500 1.500 1.500 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.14798E-02 ppm1 4.751 ppm2 0.593 CV 1 OR { 1897} (( segid "T22D" and resid 65 and name HA )) ( segid "T22D" and resid 51 and name HD1%) ASSI { 1898} (( segid "T22D" and resid 70 and name HA )) (( segid "T22D" and resid 69 and name HA )) 4.100 2.100 1.900 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.73469E-03 ppm1 4.080 ppm2 4.573 CV 1 OR { 1898} (( segid "T22D" and resid 67 and name HA )) (( segid "3T5T" and resid 6 and name H4' )) OR { 1898} (( segid "T22D" and resid 86 and name HA )) (( segid "T22D" and resid 35 and name HB )) OR { 1898} (( segid "T22D" and resid 84 and name HA )) (( segid "T22D" and resid 35 and name HB )) ASSI { 1899} (( segid "T22D" and resid 84 and name HA )) (( segid "T22D" and resid 84 and name HG1 )) 2.500 0.800 0.800 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.47277E-02 ppm1 4.110 ppm2 1.341 CV 1 OR { 1899} (( segid "T22D" and resid 51 and name HA )) (( segid "T22D" and resid 51 and name HB2 )) OR { 1899} (( segid "T22D" and resid 84 and name HA )) (( segid "T22D" and resid 84 and name HG2 )) ASSI { 1900} (( segid "T22D" and resid 53 and name HA )) (( segid "T22D" and resid 53 and name HB1 )) 2.500 0.800 0.800 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.54333E-02 ppm1 4.061 ppm2 2.069 CV 1 OR { 1900} (( segid "T22D" and resid 84 and name HA )) (( segid "T22D" and resid 62 and name HG2 )) OR { 1900} (( segid "T22D" and resid 84 and name HA )) (( segid "T22D" and resid 62 and name HG1 )) OR { 1900} (( segid "T22D" and resid 53 and name HA )) (( segid "T22D" and resid 56 and name HB1 )) ASSI { 1902} (( segid "T22D" and resid 68 and name HA )) ( segid "T22D" and resid 68 and name HG2%) 2.400 0.700 0.700 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.88357E-02 ppm1 4.774 ppm2 0.952 CV 1 OR { 1902} (( segid "T22D" and resid 65 and name HA )) ( segid "T22D" and resid 65 and name HG2%) ASSI { 1920} (( segid "T22D" and resid 86 and name HA )) (( segid "T22D" and resid 86 and name HG1 )) 2.900 1.000 1.000 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.18713E-02 ppm1 4.091 ppm2 1.637 CV 1 OR { 1920} (( segid "T22D" and resid 86 and name HA )) ( segid "T22D" and resid 89 and name HB% ) ASSI { 1931} (( segid "T22D" and resid 49 and name HA )) (( segid "T22D" and resid 52 and name HD2 )) 4.600 2.600 1.400 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.47627E-03 ppm1 4.153 ppm2 7.318 CV 1 OR { 1931} (( segid "T22D" and resid 67 and name HA )) (( segid "T22D" and resid 80 and name HZ )) ASSI { 1933} (( segid "T22D" and resid 94 and name HA )) (( segid "T22D" and resid 93 and name HB2 )) 4.100 2.100 1.900 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.46597E-03 ppm1 3.890 ppm2 2.808 CV 1 OR { 1933} (( segid "T22D" and resid 94 and name HA )) (( segid "T22D" and resid 95 and name HB2 )) ASSI { 1934} (( segid "T22D" and resid 67 and name HA )) (( segid "T22D" and resid 79 and name HA1 )) 3.600 1.600 1.600 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.17252E-02 ppm1 4.141 ppm2 3.753 CV 1 OR { 1934} (( segid "T22D" and resid 67 and name HA )) (( segid "T22D" and resid 66 and name HA )) OR { 1934} (( segid "T22D" and resid 99 and name HA )) (( segid "T22D" and resid 100 and name HA )) OR { 1934} (( segid "T22D" and resid 49 and name HA )) (( segid "T22D" and resid 52 and name HA )) ASSI { 1969} (( segid "T22D" and resid 111 and name HA )) (( segid "T22D" and resid 112 and name HB2 )) 4.100 2.100 1.900 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.64378E-03 ppm1 4.433 ppm2 1.340 CV 1 OR { 1969} (( segid "T22D" and resid 111 and name HA )) (( segid "T22D" and resid 33 and name HB1 )) OR { 1969} (( segid "T22D" and resid 111 and name HA )) ( segid "T22D" and resid 109 and name HD1%) ASSI { 1972} (( segid "T22D" and resid 39 and name HA )) (( segid "T22D" and resid 42 and name HB1 )) 3.600 3.600 2.400 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.35384E-02 ppm1 4.358 ppm2 1.175 CV 1 OR { 1972} (( segid "T22D" and resid 39 and name HA )) (( segid "T22D" and resid 67 and name HG12)) OR { 1972} (( segid "T22D" and resid 39 and name HA )) ( segid "T22D" and resid 46 and name HG2%) OR { 1972} (( segid "T22D" and resid 39 and name HA )) (( segid "3T5T" and resid 5 and name H72 )) ASSI { 1978} (( segid "T22D" and resid 33 and name HA )) (( segid "T22D" and resid 33 and name HG1 )) 3.000 1.100 1.100 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.21901E-02 ppm1 3.739 ppm2 0.905 CV 1 OR { 1978} (( segid "T22D" and resid 52 and name HA )) (( segid "T22D" and resid 61 and name HG12)) ASSI { 1987} (( segid "T22D" and resid 52 and name HA )) (( segid "T22D" and resid 61 and name HB )) 3.900 1.900 1.900 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.11213E-02 ppm1 3.747 ppm2 1.477 CV 1 OR { 1987} (( segid "T22D" and resid 33 and name HA )) ( segid "T22D" and resid 33 and name HE% ) OR { 1987} (( segid "T22D" and resid 52 and name HA )) (( segid "T22D" and resid 51 and name HG )) ASSI { 1989} (( segid "T22D" and resid 81 and name HA )) (( segid "T22D" and resid 61 and name HG12)) 3.700 1.700 1.700 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.11040E-02 ppm1 4.794 ppm2 0.937 CV 1 OR { 1989} (( segid "T22D" and resid 81 and name HA )) ( segid "T22D" and resid 65 and name HG2%) OR { 1989} (( segid "T22D" and resid 81 and name HA )) ( segid "T22D" and resid 51 and name HD2%) ASSI { 1992} (( segid "T22D" and resid 81 and name HA )) (( segid "T22D" and resid 37 and name HB )) 4.300 2.300 1.700 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.45025E-03 ppm1 4.810 ppm2 1.897 CV 1 OR { 1992} (( segid "T22D" and resid 81 and name HA )) (( segid "T22D" and resid 51 and name HB1 )) OR { 1992} (( segid "T22D" and resid 81 and name HA )) ( segid "T22D" and resid 83 and name HE% ) ASSI { 2013} (( segid "T22D" and resid 100 and name HA )) (( segid "T22D" and resid 99 and name HA )) 3.700 1.700 1.700 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.13335E-02 ppm1 3.755 ppm2 4.151 CV 1 OR { 2013} (( segid "T22D" and resid 52 and name HA )) (( segid "T22D" and resid 51 and name HA )) OR { 2013} (( segid "T22D" and resid 52 and name HA )) (( segid "T22D" and resid 49 and name HA )) OR { 2013} (( segid "T22D" and resid 100 and name HA )) (( segid "T22D" and resid 102 and name HA2 )) OR { 2013} (( segid "T22D" and resid 100 and name HA )) (( segid "T22D" and resid 104 and name HA )) OR { 2013} (( segid "T22D" and resid 52 and name HA )) (( segid "T22D" and resid 61 and name HA )) ASSI { 2040} (( segid "T22D" and resid 61 and name HA )) ( segid "T22D" and resid 64 and name HB% ) 4.800 2.900 1.200 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.63098E-03 ppm1 4.115 ppm2 1.370 CV 1 OR { 2040} (( segid "T22D" and resid 61 and name HA )) (( segid "T22D" and resid 84 and name HG1 )) OR { 2040} (( segid "T22D" and resid 61 and name HA )) (( segid "T22D" and resid 84 and name HG2 )) ASSI { 2076} (( segid "T22D" and resid 88 and name HA )) ( segid "T22D" and resid 83 and name HE% ) 3.500 1.500 1.500 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.15311E-02 ppm1 4.321 ppm2 1.923 CV 1 OR { 2076} (( segid "T22D" and resid 55 and name HA )) ( segid "T22D" and resid 83 and name HE% ) OR { 2076} (( segid "T22D" and resid 55 and name HA )) (( segid "T22D" and resid 92 and name HA )) OR { 2076} (( segid "T22D" and resid 88 and name HA )) (( segid "T22D" and resid 92 and name HA )) OR { 2076} (( segid "T22D" and resid 55 and name HA )) (( segid "T22D" and resid 51 and name HB1 )) ASSI { 2082} (( segid "T22D" and resid 72 and name HA )) (( segid "T22D" and resid 73 and name HB1 )) 4.000 2.000 2.000 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.94382E-03 ppm1 4.324 ppm2 2.366 CV 1 OR { 2082} (( segid "T22D" and resid 88 and name HA )) (( segid "T22D" and resid 91 and name HB1 )) OR { 2082} (( segid "T22D" and resid 72 and name HA )) (( segid "T22D" and resid 73 and name HB2 )) ASSI { 2083} (( segid "T22D" and resid 88 and name HA )) (( segid "T22D" and resid 91 and name HB2 )) 3.200 1.300 1.300 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.12488E-02 ppm1 4.337 ppm2 2.072 CV 1 OR { 2083} (( segid "T22D" and resid 88 and name HA )) (( segid "T22D" and resid 91 and name HG2 )) OR { 2083} (( segid "T22D" and resid 55 and name HA )) (( segid "T22D" and resid 56 and name HB1 )) ASSI { 2105} (( segid "T22D" and resid 43 and name HA )) (( segid "T22D" and resid 42 and name HA )) 3.100 1.200 1.200 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.17461E-02 ppm1 4.610 ppm2 4.294 CV 1 OR { 2105} (( segid "T22D" and resid 43 and name HA )) (( segid "T22D" and resid 77 and name HA2 )) ASSI { 2113} (( segid "T22D" and resid 66 and name HA )) (( segid "T22D" and resid 51 and name HB2 )) 4.000 2.000 2.000 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.74641E-03 ppm1 3.742 ppm2 1.332 CV 1 OR { 2113} (( segid "T22D" and resid 66 and name HA )) ( segid "T22D" and resid 64 and name HB% ) ASSI { 2127} (( segid "T22D" and resid 98 and name HA )) (( segid "T22D" and resid 97 and name HB2 )) 3.800 1.800 1.800 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.49966E-03 ppm1 4.452 ppm2 2.814 CV 1 OR { 2127} (( segid "T22D" and resid 98 and name HA )) (( segid "T22D" and resid 106 and name HB1 )) OR { 2127} (( segid "T22D" and resid 98 and name HA )) (( segid "T22D" and resid 106 and name HB2 )) ASSI { 2175} (( segid "T22D" and resid 46 and name HA )) ( segid "T22D" and resid 100 and name HG2%) 4.200 2.200 1.800 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.63957E-03 ppm1 4.029 ppm2 0.459 CV 1 OR { 2175} (( segid "T22D" and resid 46 and name HA )) ( segid "T22D" and resid 42 and name HD1%) ASSI { 2177} (( segid "T22D" and resid 50 and name HB )) (( segid "T22D" and resid 53 and name HB2 )) 4.200 2.200 1.800 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.66167E-03 ppm1 4.483 ppm2 2.258 CV 1 OR { 2177} (( segid "T22D" and resid 50 and name HB )) (( segid "T22D" and resid 101 and name HB1 )) OR { 2177} (( segid "T22D" and resid 50 and name HB )) (( segid "T22D" and resid 43 and name HG1 )) ASSI { 2215} (( segid "T22D" and resid 35 and name HB )) (( segid "T22D" and resid 86 and name HB2 )) 4.800 2.800 1.200 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.40446E-03 ppm1 4.580 ppm2 1.892 CV 1 OR { 2215} (( segid "T22D" and resid 35 and name HB )) (( segid "T22D" and resid 84 and name HB2 )) OR { 2215} (( segid "T22D" and resid 35 and name HB )) ( segid "T22D" and resid 83 and name HE% ) OR { 2215} (( segid "T22D" and resid 35 and name HB )) (( segid "T22D" and resid 86 and name HB1 )) OR { 2215} (( segid "T22D" and resid 35 and name HB )) (( segid "T22D" and resid 37 and name HB )) ASSI { 2254} ( segid "T22D" and resid 54 and name HE% ) ( segid "T22D" and resid 39 and name HG1%) 4.800 2.900 1.200 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.30069E-03 ppm1 6.450 ppm2 0.677 CV 1 OR { 2254} ( segid "T22D" and resid 54 and name HE% ) ( segid "T22D" and resid 99 and name HD1%) OR { 2254} ( segid "T22D" and resid 54 and name HE% ) ( segid "T22D" and resid 42 and name HD2%) OR { 2254} ( segid "T22D" and resid 54 and name HE% ) ( segid "T22D" and resid 37 and name HG2%) ASSI { 2329} (( segid "T22D" and resid 58 and name HZ )) ( segid "T22D" and resid 37 and name HD1%) 4.200 2.200 1.800 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.60542E-03 ppm1 7.302 ppm2 0.687 CV 1 OR { 2329} (( segid "T22D" and resid 58 and name HZ )) ( segid "T22D" and resid 39 and name HG1%) OR { 2329} (( segid "T22D" and resid 58 and name HZ )) ( segid "T22D" and resid 37 and name HG2%) OR { 2329} (( segid "T22D" and resid 58 and name HZ )) ( segid "T22D" and resid 42 and name HD2%) OR { 2329} (( segid "T22D" and resid 58 and name HZ )) ( segid "T22D" and resid 99 and name HD1%) ASSI { 2335} ( segid "T22D" and resid 80 and name HE% ) ( segid "T22D" and resid 32 and name HG2%) 2.900 2.900 3.100 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.70183E-03 ppm1 7.166 ppm2 1.043 CV 1 OR { 2335} ( segid "T22D" and resid 80 and name HE% ) ( segid "T22D" and resid 107 and name HG1%) OR { 2335} ( segid "T22D" and resid 80 and name HE% ) ( segid "T22D" and resid 107 and name HG2%) ASSI { 2336} ( segid "T22D" and resid 80 and name HE% ) (( segid "T22D" and resid 36 and name HG1 )) 4.400 2.400 1.600 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.56455E-03 ppm1 7.166 ppm2 1.005 CV 1 OR { 2336} ( segid "T22D" and resid 80 and name HE% ) (( segid "T22D" and resid 67 and name HB )) ASSI { 2337} ( segid "T22D" and resid 80 and name HE% ) ( segid "T22D" and resid 67 and name HG2%) 4.400 2.400 1.600 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.43382E-03 ppm1 7.145 ppm2 0.884 CV 1 OR { 2337} ( segid "T22D" and resid 80 and name HE% ) ( segid "T22D" and resid 65 and name HG2%) ASSI { 2385} ( segid "T22D" and resid 55 and name HE% ) ( segid "T22D" and resid 81 and name HG1%) 4.200 2.200 1.800 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.71689E-03 ppm1 7.312 ppm2 0.531 CV 1 OR { 2385} ( segid "T22D" and resid 55 and name HE% ) ( segid "T22D" and resid 51 and name HD1%) OR { 2385} ( segid "T22D" and resid 58 and name HD% ) ( segid "T22D" and resid 81 and name HG1%) OR { 2385} ( segid "T22D" and resid 55 and name HE% ) (( segid "T22D" and resid 37 and name HG12)) ASSI { 2386} ( segid "T22D" and resid 55 and name HE% ) ( segid "T22D" and resid 39 and name HG1%) 3.000 1.100 1.100 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.24232E-02 ppm1 7.305 ppm2 0.683 CV 1 OR { 2386} ( segid "T22D" and resid 55 and name HE% ) ( segid "T22D" and resid 37 and name HG2%) OR { 2386} ( segid "T22D" and resid 55 and name HE% ) ( segid "T22D" and resid 42 and name HD2%) OR { 2386} ( segid "T22D" and resid 55 and name HE% ) ( segid "T22D" and resid 37 and name HD1%) ASSI { 2421} ( segid "T22D" and resid 55 and name HD% ) ( segid "T22D" and resid 92 and name HB% ) 3.700 1.700 1.700 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.42936E-03 ppm1 7.776 ppm2 1.472 CV 1 OR { 2421} ( segid "T22D" and resid 55 and name HD% ) (( segid "T22D" and resid 51 and name HG )) !
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