NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
12983 | 1tv0 | 6264 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HG1 )) 3.500 1.500 1.500 peak 1 weight 0.11000E+01 volume 0.45291E-02 ppm1 9.903 ppm2 1.414 CV 1 OR { 1} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HG2 )) ASSI { 1} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB1 )) 3.500 1.600 1.600 peak 1 weight 0.11000E+01 volume 0.48715E-02 ppm1 9.901 ppm2 1.649 CV 1 ASSI { 2} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB2 )) 2.500 0.800 0.800 peak 2 weight 0.11000E+01 volume 0.68296E-02 ppm1 9.902 ppm2 1.742 CV 1 ASSI { 3} (( segid " " and resid 7 and name HN )) (( segid " " and resid 25 and name HB2 )) 5.300 3.500 0.700 peak 3 weight 0.11000E+01 volume 0.91771E-03 ppm1 9.899 ppm2 2.843 CV 1 ASSI { 4} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB2 )) 4.500 2.500 1.500 peak 4 weight 0.11000E+01 volume 0.22924E-02 ppm1 9.900 ppm2 2.936 CV 1 ASSI { 5} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB1 )) 3.700 1.700 1.700 peak 5 weight 0.11000E+01 volume 0.37752E-02 ppm1 9.902 ppm2 3.040 CV 1 ASSI { 6} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HD1 )) 4.600 2.600 1.400 peak 6 weight 0.11000E+01 volume 0.12673E-02 ppm1 9.903 ppm2 3.224 CV 1 OR { 6} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HD2 )) OR { 6} (( segid " " and resid 7 and name HN )) (( segid " " and resid 21 and name HB2 )) ASSI { 7} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) 3.000 1.200 1.200 peak 7 weight 0.11000E+01 volume 0.38074E-02 ppm1 9.907 ppm2 4.834 CV 1 ASSI { 8} (( segid " " and resid 7 and name HN )) (( segid " " and resid 27 and name HA )) 3.700 1.700 1.700 peak 8 weight 0.11000E+01 volume 0.21788E-02 ppm1 9.902 ppm2 4.996 CV 1 ASSI { 9} (( segid " " and resid 7 and name HN )) (( segid " " and resid 25 and name HA )) 5.000 3.100 1.000 peak 9 weight 0.11000E+01 volume 0.80571E-03 ppm1 9.901 ppm2 5.098 CV 1 ASSI { 10} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HA )) 2.100 0.600 0.600 peak 10 weight 0.11000E+01 volume 0.20722E-01 ppm1 9.902 ppm2 5.637 CV 1 ASSI { 11} (( segid " " and resid 7 and name HN )) ( segid " " and resid 27 and name HD% ) 5.700 4.000 0.300 peak 11 weight 0.11000E+01 volume 0.51405E-03 ppm1 9.901 ppm2 6.900 CV 1 ASSI { 12} (( segid " " and resid 7 and name HN )) ( segid " " and resid 25 and name HD% ) 4.200 2.200 1.800 peak 12 weight 0.11000E+01 volume 0.92455E-03 ppm1 9.903 ppm2 7.125 CV 1 ASSI { 13} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HN )) 5.400 3.700 0.600 peak 13 weight 0.11000E+01 volume 0.59485E-03 ppm1 9.900 ppm2 8.675 CV 1 ASSI { 15} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HN )) 5.400 3.600 0.600 peak 15 weight 0.11000E+01 volume 0.66394E-03 ppm1 9.901 ppm2 9.140 CV 1 ASSI { 16} (( segid " " and resid 7 and name HN )) (( segid " " and resid 26 and name HN )) 2.900 1.000 1.000 peak 16 weight 0.11000E+01 volume 0.42456E-02 ppm1 9.902 ppm2 9.334 CV 1 ASSI { 17} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HN )) 4.100 2.100 1.900 peak 17 weight 0.11000E+01 volume 0.13071E-02 ppm1 9.499 ppm2 9.095 CV 1 ASSI { 18} (( segid " " and resid 26 and name HN )) (( segid " " and resid 9 and name HN )) 4.800 2.900 1.200 peak 18 weight 0.11000E+01 volume 0.95411E-03 ppm1 9.331 ppm2 8.832 CV 1 ASSI { 19} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HN )) 3.800 1.900 1.900 peak 19 weight 0.11000E+01 volume 0.79389E-03 ppm1 9.500 ppm2 8.739 CV 1 ASSI { 20} (( segid " " and resid 18 and name HN )) (( segid " " and resid 27 and name HN )) 4.800 2.900 1.200 peak 20 weight 0.11000E+01 volume 0.71003E-03 ppm1 9.502 ppm2 8.413 CV 1 ASSI { 21} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HN )) 5.100 3.200 0.900 peak 21 weight 0.11000E+01 volume 0.54413E-03 ppm1 9.333 ppm2 8.410 CV 1 ASSI { 22} (( segid " " and resid 16 and name HN )) (( segid " " and resid 27 and name HN )) 3.500 1.500 1.500 peak 22 weight 0.11000E+01 volume 0.15910E-02 ppm1 9.101 ppm2 8.435 CV 1 ASSI { 23} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HN )) 4.800 2.900 1.200 peak 23 weight 0.11000E+01 volume 0.10594E-02 ppm1 9.011 ppm2 8.414 CV 1 ASSI { 24} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HN )) 4.000 2.000 2.000 peak 24 weight 0.11000E+01 volume 0.19404E-02 ppm1 8.909 ppm2 8.507 CV 1 ASSI { 25} (( segid " " and resid 28 and name HN )) (( segid " " and resid 5 and name HN )) 2.800 1.000 1.000 peak 25 weight 0.11000E+01 volume 0.50670E-02 ppm1 9.012 ppm2 8.785 CV 1 ASSI { 26} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HN )) 4.700 2.700 1.300 peak 26 weight 0.11000E+01 volume 0.10696E-02 ppm1 9.104 ppm2 8.732 CV 1 ASSI { 27} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HN )) 2.700 0.900 0.900 peak 27 weight 0.11000E+01 volume 0.61920E-02 ppm1 8.912 ppm2 7.803 CV 1 ASSI { 28} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HN )) 5.300 3.500 0.700 peak 28 weight 0.11000E+01 volume 0.73130E-03 ppm1 9.105 ppm2 7.808 CV 1 ASSI { 29} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HN )) 5.500 3.700 0.500 peak 29 weight 0.11000E+01 volume 0.74970E-03 ppm1 8.791 ppm2 7.615 CV 1 ASSI { 31} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HN )) 5.000 3.100 1.000 peak 31 weight 0.11000E+01 volume 0.87487E-03 ppm1 8.877 ppm2 8.078 CV 1 ASSI { 32} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HN )) 2.200 0.600 0.600 peak 32 weight 0.11000E+01 volume 0.80236E-02 ppm1 8.485 ppm2 7.801 CV 1 ASSI { 33} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HN )) 3.200 1.300 1.300 peak 33 weight 0.11000E+01 volume 0.31826E-02 ppm1 8.444 ppm2 7.893 CV 1 ASSI { 35} (( segid " " and resid 3 and name HN )) (( segid " " and resid 4 and name HN )) 3.900 1.900 1.900 peak 35 weight 0.11000E+01 volume 0.20664E-02 ppm1 8.258 ppm2 7.610 CV 1 ASSI { 36} (( segid " " and resid 5 and name HN )) ( segid " " and resid 5 and name HD% ) 3.300 1.300 1.300 peak 36 weight 0.11000E+01 volume 0.45681E-02 ppm1 8.789 ppm2 7.028 CV 1 ASSI { 37} (( segid " " and resid 28 and name HN )) ( segid " " and resid 27 and name HD% ) 4.300 2.300 1.700 peak 37 weight 0.11000E+01 volume 0.24838E-02 ppm1 9.010 ppm2 6.901 CV 1 ASSI { 41} (( segid " " and resid 8 and name HN )) ( segid " " and resid 25 and name HE% ) 5.800 4.100 0.200 peak 41 weight 0.11000E+01 volume 0.44296E-03 ppm1 8.680 ppm2 7.361 CV 1 ASSI { 42} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HN )) 2.500 0.800 0.800 peak 42 weight 0.11000E+01 volume 0.50472E-02 ppm1 8.308 ppm2 8.101 CV 1 ASSI { 43} (( segid " " and resid 27 and name HN )) (( segid " " and resid 21 and name HN )) 4.000 2.000 2.000 peak 43 weight 0.11000E+01 volume 0.18706E-02 ppm1 8.411 ppm2 8.103 CV 1 ASSI { 44} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HN )) 2.600 0.900 0.900 peak 44 weight 0.11000E+01 volume 0.56242E-02 ppm1 8.482 ppm2 8.273 CV 1 ASSI { 45} (( segid " " and resid 21 and name HN )) (( segid " " and resid 25 and name HN )) 4.300 2.300 1.700 peak 45 weight 0.11000E+01 volume 0.24781E-02 ppm1 8.103 ppm2 7.802 CV 1 ASSI { 46} (( segid " " and resid 25 and name HN )) ( segid " " and resid 25 and name HD% ) 3.000 1.200 1.200 peak 46 weight 0.11000E+01 volume 0.21763E-02 ppm1 7.801 ppm2 7.127 CV 1 ASSI { 47} (( segid " " and resid 19 and name HN )) ( segid " " and resid 27 and name HD% ) 4.800 2.900 1.200 peak 47 weight 0.11000E+01 volume 0.73231E-03 ppm1 7.761 ppm2 6.904 CV 1 ASSI { 48} ( segid " " and resid 25 and name HE% ) ( segid " " and resid 25 and name HD% ) 2.000 0.500 0.500 peak 48 weight 0.11000E+01 volume 0.34569E-01 ppm1 7.363 ppm2 7.127 CV 1 ASSI { 49} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 6 and name HA )) 3.300 1.400 1.400 peak 49 weight 0.11000E+01 volume 0.33819E-02 ppm1 6.901 ppm2 5.632 CV 1 ASSI { 50} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 27 and name HA )) 2.400 0.700 0.700 peak 50 weight 0.11000E+01 volume 0.13633E-01 ppm1 6.901 ppm2 4.998 CV 1 ASSI { 51} (( segid " " and resid 4 and name HN )) ( segid " " and resid 27 and name HE% ) 6.000 5.200 0.000 peak 51 weight 0.11000E+01 volume 0.34404E-03 ppm1 7.606 ppm2 6.659 CV 1 ASSI { 52} (( segid " " and resid 18 and name HN )) (( segid " " and resid 20 and name HA )) 4.100 2.100 1.900 peak 52 weight 0.11000E+01 volume 0.25953E-02 ppm1 9.498 ppm2 5.081 CV 1 ASSI { 53} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 3.100 1.200 1.200 peak 53 weight 0.11000E+01 volume 0.45205E-02 ppm1 9.498 ppm2 4.757 CV 1 ASSI { 54} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 2.100 0.600 0.600 peak 54 weight 0.11000E+01 volume 0.21453E-01 ppm1 9.333 ppm2 5.093 CV 1 ASSI { 55} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 3.000 1.100 1.100 peak 55 weight 0.11000E+01 volume 0.34423E-02 ppm1 9.336 ppm2 4.735 CV 1 ASSI { 56} (( segid " " and resid 26 and name HN )) (( segid " " and resid 6 and name HA )) 5.000 3.100 1.000 peak 56 weight 0.11000E+01 volume 0.59962E-03 ppm1 9.334 ppm2 5.640 CV 1 ASSI { 57} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) 3.200 1.300 1.300 peak 57 weight 0.11000E+01 volume 0.31812E-02 ppm1 9.144 ppm2 5.639 CV 1 ASSI { 58} (( segid " " and resid 28 and name HN )) (( segid " " and resid 6 and name HA )) 3.400 1.400 1.400 peak 58 weight 0.11000E+01 volume 0.29816E-02 ppm1 9.013 ppm2 5.636 CV 1 ASSI { 59} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA )) 3.000 1.100 1.100 peak 59 weight 0.11000E+01 volume 0.33155E-02 ppm1 9.093 ppm2 5.327 CV 1 ASSI { 60} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA )) 2.100 0.600 0.600 peak 60 weight 0.11000E+01 volume 0.24360E-01 ppm1 9.091 ppm2 5.082 CV 1 OR { 60} (( segid " " and resid 16 and name HN )) (( segid " " and resid 28 and name HA )) ASSI { 61} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA )) 2.900 1.000 1.000 peak 61 weight 0.11000E+01 volume 0.47466E-02 ppm1 9.014 ppm2 5.080 CV 1 ASSI { 62} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 2.000 0.500 0.500 peak 62 weight 0.11000E+01 volume 0.24969E-01 ppm1 9.011 ppm2 4.994 CV 1 ASSI { 63} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 2.100 0.600 0.600 peak 63 weight 0.11000E+01 volume 0.22457E-01 ppm1 9.106 ppm2 4.770 CV 1 OR { 63} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA )) ASSI { 64} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HA )) 2.200 0.600 0.600 peak 64 weight 0.11000E+01 volume 0.22100E-01 ppm1 9.142 ppm2 4.590 CV 1 ASSI { 66} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA )) 2.200 0.600 0.600 peak 66 weight 0.11000E+01 volume 0.21222E-01 ppm1 8.882 ppm2 4.633 CV 1 ASSI { 67} (( segid " " and resid 5 and name HN )) (( segid " " and resid 30 and name HD2 )) 5.700 4.000 0.300 peak 67 weight 0.11000E+01 volume 0.76497E-03 ppm1 8.786 ppm2 3.989 CV 1 ASSI { 68} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) 3.100 1.200 1.200 peak 68 weight 0.11000E+01 volume 0.39790E-02 ppm1 8.881 ppm2 5.020 CV 1 ASSI { 69} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HA )) 2.200 0.600 0.600 peak 69 weight 0.11000E+01 volume 0.18281E-01 ppm1 8.787 ppm2 5.009 CV 1 ASSI { 70} (( segid " " and resid 9 and name HN )) (( segid " " and resid 25 and name HA )) 3.700 1.700 1.700 peak 70 weight 0.11000E+01 volume 0.24606E-02 ppm1 8.828 ppm2 5.099 CV 1 ASSI { 71} (( segid " " and resid 5 and name HN )) (( segid " " and resid 29 and name HA )) 3.700 1.700 1.700 peak 71 weight 0.11000E+01 volume 0.22144E-02 ppm1 8.789 ppm2 5.322 CV 1 ASSI { 72} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 2.100 0.600 0.600 peak 72 weight 0.11000E+01 volume 0.25005E-01 ppm1 9.498 ppm2 4.289 CV 1 ASSI { 73} (( segid " " and resid 26 and name HN )) (( segid " " and resid 8 and name HA )) 3.600 1.600 1.600 peak 73 weight 0.11000E+01 volume 0.19080E-02 ppm1 9.336 ppm2 3.756 CV 1 ASSI { 74} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HD1 )) 4.500 2.500 1.500 peak 74 weight 0.11000E+01 volume 0.14556E-02 ppm1 9.091 ppm2 3.724 CV 1 ASSI { 75} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA1 )) 3.000 1.100 1.100 peak 75 weight 0.11000E+01 volume 0.89712E-02 ppm1 8.913 ppm2 3.802 CV 1 ASSI { 76} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB2 )) 3.100 1.200 1.200 peak 76 weight 0.11000E+01 volume 0.38702E-02 ppm1 8.881 ppm2 3.727 CV 1 ASSI { 77} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 2.100 0.500 0.500 peak 77 weight 0.11000E+01 volume 0.18254E-01 ppm1 8.828 ppm2 3.756 CV 1 ASSI { 78} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA )) 2.200 0.600 0.600 peak 78 weight 0.11000E+01 volume 0.19512E-01 ppm1 8.912 ppm2 4.085 CV 1 ASSI { 79} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA2 )) 2.600 0.900 0.900 peak 79 weight 0.11000E+01 volume 0.78487E-02 ppm1 8.908 ppm2 4.203 CV 1 ASSI { 80} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA2 )) 2.600 0.900 0.900 peak 80 weight 0.11000E+01 volume 0.69972E-02 ppm1 8.828 ppm2 4.247 CV 1 ASSI { 81} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 3.000 1.200 1.200 peak 81 weight 0.11000E+01 volume 0.41851E-02 ppm1 8.732 ppm2 4.295 CV 1 ASSI { 82} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HA )) 3.000 1.100 1.100 peak 82 weight 0.11000E+01 volume 0.41745E-02 ppm1 8.789 ppm2 4.590 CV 1 ASSI { 83} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 2.200 0.600 0.600 peak 83 weight 0.11000E+01 volume 0.23692E-01 ppm1 8.734 ppm2 4.727 CV 1 ASSI { 84} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) 2.300 0.700 0.700 peak 84 weight 0.11000E+01 volume 0.17638E-01 ppm1 8.678 ppm2 4.833 CV 1 ASSI { 85} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA2 )) 2.400 0.700 0.700 peak 85 weight 0.11000E+01 volume 0.18985E-01 ppm1 8.575 ppm2 4.524 CV 1 ASSI { 86} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HA )) 2.500 0.800 0.800 peak 86 weight 0.11000E+01 volume 0.19822E-01 ppm1 8.513 ppm2 4.384 CV 1 OR { 86} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) ASSI { 87} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA1 )) 2.900 1.000 1.000 peak 87 weight 0.11000E+01 volume 0.10977E-01 ppm1 8.572 ppm2 4.083 CV 1 ASSI { 88} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 2.600 0.800 0.800 peak 88 weight 0.11000E+01 volume 0.10066E-01 ppm1 8.511 ppm2 4.083 CV 1 ASSI { 89} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HA1 )) 2.900 1.000 1.000 peak 89 weight 0.11000E+01 volume 0.92697E-02 ppm1 8.512 ppm2 3.846 CV 1 OR { 89} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HA2 )) ASSI { 90} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB2 )) 2.900 1.000 1.000 peak 90 weight 0.11000E+01 volume 0.10694E-01 ppm1 8.583 ppm2 3.730 CV 1 ASSI { 91} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA )) 2.900 1.100 1.100 peak 91 weight 0.11000E+01 volume 0.36239E-02 ppm1 8.677 ppm2 3.757 CV 1 ASSI { 92} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA1 )) 2.300 0.700 0.700 peak 92 weight 0.11000E+01 volume 0.11125E-01 ppm1 8.273 ppm2 3.779 CV 1 ASSI { 93} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA2 )) 2.700 0.900 0.900 peak 93 weight 0.11000E+01 volume 0.14575E-01 ppm1 8.274 ppm2 3.990 CV 1 ASSI { 94} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA2 )) 2.700 0.900 0.900 peak 94 weight 0.11000E+01 volume 0.97787E-02 ppm1 8.307 ppm2 3.987 CV 1 ASSI { 95} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA )) 2.800 1.000 1.000 peak 95 weight 0.11000E+01 volume 0.66599E-02 ppm1 8.276 ppm2 4.056 CV 1 ASSI { 96} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 2.400 0.700 0.700 peak 96 weight 0.11000E+01 volume 0.16285E-01 ppm1 8.262 ppm2 4.359 CV 1 ASSI { 97} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA )) 3.100 1.200 1.200 peak 97 weight 0.11000E+01 volume 0.40978E-02 ppm1 8.254 ppm2 4.267 CV 1 ASSI { 98} (( segid " " and resid 22 and name HN )) (( segid " " and resid 20 and name HB )) 4.000 2.000 2.000 peak 98 weight 0.11000E+01 volume 0.17259E-02 ppm1 8.308 ppm2 4.470 CV 1 ASSI { 99} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA )) 3.000 1.100 1.100 peak 99 weight 0.11000E+01 volume 0.86409E-02 ppm1 8.308 ppm2 4.898 CV 1 ASSI { 100} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA )) 3.000 1.200 1.200 peak 100 weight 0.11000E+01 volume 0.29671E-02 ppm1 8.413 ppm2 4.994 CV 1 ASSI { 101} (( segid " " and resid 27 and name HN )) (( segid " " and resid 20 and name HA )) 2.800 2.800 3.200 peak 101 weight 0.11000E+01 volume 0.78710E-02 ppm1 8.414 ppm2 5.087 CV 1 ASSI { 102} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) 2.300 0.700 0.700 peak 102 weight 0.11000E+01 volume 0.12065E-01 ppm1 8.583 ppm2 5.017 CV 1 ASSI { 103} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 3.000 1.200 1.200 peak 103 weight 0.11000E+01 volume 0.37046E-02 ppm1 8.571 ppm2 5.090 CV 1 ASSI { 104} (( segid " " and resid 27 and name HN )) (( segid " " and resid 20 and name HB )) 3.200 3.200 2.800 peak 104 weight 0.11000E+01 volume 0.85218E-03 ppm1 8.413 ppm2 4.461 CV 1 ASSI { 105} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) 2.200 0.600 0.600 peak 105 weight 0.11000E+01 volume 0.22433E-01 ppm1 8.411 ppm2 4.729 CV 1 ASSI { 106} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 2.200 0.600 0.600 peak 106 weight 0.11000E+01 volume 0.19239E-01 ppm1 8.445 ppm2 4.644 CV 1 ASSI { 107} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB2 )) 2.600 0.800 0.800 peak 107 weight 0.11000E+01 volume 0.11337E-01 ppm1 9.013 ppm2 2.938 CV 1 ASSI { 108} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB1 )) 3.000 1.200 1.200 peak 108 weight 0.11000E+01 volume 0.43092E-02 ppm1 9.012 ppm2 3.193 CV 1 ASSI { 109} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB2 )) 2.600 0.900 0.900 peak 109 weight 0.11000E+01 volume 0.11492E-01 ppm1 9.142 ppm2 2.937 CV 1 OR { 109} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB1 )) ASSI { 110} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB1 )) 2.700 0.900 0.900 peak 110 weight 0.11000E+01 volume 0.88367E-02 ppm1 9.142 ppm2 3.052 CV 1 ASSI { 111} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB2 )) 3.300 1.400 1.400 peak 111 weight 0.11000E+01 volume 0.23931E-02 ppm1 9.092 ppm2 3.098 CV 1 ASSI { 112} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB1 )) 3.600 1.700 1.700 peak 112 weight 0.11000E+01 volume 0.43566E-02 ppm1 9.092 ppm2 3.192 CV 1 ASSI { 113} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB1 )) 2.200 0.600 0.600 peak 113 weight 0.11000E+01 volume 0.99079E-02 ppm1 9.336 ppm2 3.028 CV 1 ASSI { 114} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) 3.800 1.800 1.800 peak 114 weight 0.11000E+01 volume 0.35661E-02 ppm1 9.335 ppm2 2.842 CV 1 ASSI { 115} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HD2 )) 5.300 3.500 0.700 peak 115 weight 0.11000E+01 volume 0.97259E-03 ppm1 9.498 ppm2 3.232 CV 1 OR { 115} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HD1 )) ASSI { 116} (( segid " " and resid 18 and name HN )) (( segid " " and resid 27 and name HB2 )) 4.000 2.000 2.000 peak 116 weight 0.11000E+01 volume 0.16301E-02 ppm1 9.498 ppm2 2.746 CV 1 ASSI { 117} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB2 )) 2.400 0.700 0.700 peak 117 weight 0.11000E+01 volume 0.83658E-02 ppm1 8.412 ppm2 2.748 CV 1 ASSI { 118} (( segid " " and resid 12 and name HN )) (( segid " " and resid 7 and name HD1 )) 3.300 1.300 1.300 peak 118 weight 0.11000E+01 volume 0.58316E-02 ppm1 8.582 ppm2 3.223 CV 1 OR { 118} (( segid " " and resid 12 and name HN )) (( segid " " and resid 7 and name HD2 )) OR { 118} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HD2 )) ASSI { 119} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA1 )) 2.700 0.900 0.900 peak 119 weight 0.11000E+01 volume 0.15012E-01 ppm1 8.830 ppm2 3.379 CV 1 ASSI { 120} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA1 )) 2.800 1.000 1.000 peak 120 weight 0.11000E+01 volume 0.62235E-02 ppm1 8.074 ppm2 3.384 CV 1 OR { 120} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB1 )) ASSI { 121} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB2 )) 3.400 1.400 1.400 peak 121 weight 0.11000E+01 volume 0.20427E-02 ppm1 8.102 ppm2 3.221 CV 1 ASSI { 122} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.700 1.700 1.700 peak 122 weight 0.11000E+01 volume 0.28755E-02 ppm1 8.072 ppm2 3.117 CV 1 ASSI { 123} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA )) 2.900 1.100 1.100 peak 123 weight 0.11000E+01 volume 0.53967E-02 ppm1 8.584 ppm2 4.384 CV 1 ASSI { 124} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 3.000 1.100 1.100 peak 124 weight 0.11000E+01 volume 0.52073E-02 ppm1 8.446 ppm2 4.119 CV 1 ASSI { 125} (( segid " " and resid 22 and name HN )) (( segid " " and resid 20 and name HA )) 5.500 3.800 0.500 peak 125 weight 0.11000E+01 volume 0.64038E-03 ppm1 8.309 ppm2 5.090 CV 1 ASSI { 126} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 2.100 0.500 0.500 peak 126 weight 0.11000E+01 volume 0.16949E-01 ppm1 8.101 ppm2 5.085 CV 1 ASSI { 127} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 3.100 1.200 1.200 peak 127 weight 0.11000E+01 volume 0.38897E-02 ppm1 8.100 ppm2 4.900 CV 1 ASSI { 128} (( segid " " and resid 21 and name HN )) (( segid " " and resid 26 and name HA )) 3.200 1.300 1.300 peak 128 weight 0.11000E+01 volume 0.23805E-02 ppm1 8.102 ppm2 4.731 CV 1 ASSI { 129} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) 3.000 1.100 1.100 peak 129 weight 0.11000E+01 volume 0.50636E-02 ppm1 8.074 ppm2 4.636 CV 1 ASSI { 130} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB )) 3.000 1.200 1.200 peak 130 weight 0.11000E+01 volume 0.99673E-02 ppm1 8.101 ppm2 4.469 CV 1 ASSI { 131} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA2 )) 3.600 1.600 1.600 peak 131 weight 0.11000E+01 volume 0.95817E-02 ppm1 8.072 ppm2 4.246 CV 1 ASSI { 132} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB1 )) 3.300 1.400 1.400 peak 132 weight 0.11000E+01 volume 0.32330E-02 ppm1 8.308 ppm2 3.306 CV 1 ASSI { 133} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB2 )) 4.600 2.700 1.400 peak 133 weight 0.11000E+01 volume 0.17991E-02 ppm1 8.307 ppm2 3.220 CV 1 ASSI { 134} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB1 )) 3.000 1.100 1.100 peak 134 weight 0.11000E+01 volume 0.40626E-02 ppm1 8.583 ppm2 2.653 CV 1 ASSI { 135} (( segid " " and resid 12 and name HN )) (( segid " " and resid 15 and name HG1 )) 3.400 1.400 1.400 peak 135 weight 0.11000E+01 volume 0.57050E-02 ppm1 8.584 ppm2 2.445 CV 1 ASSI { 136} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB2 )) 3.600 1.700 1.700 peak 136 weight 0.11000E+01 volume 0.24966E-02 ppm1 8.445 ppm2 2.484 CV 1 ASSI { 137} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB2 )) 2.600 0.900 0.900 peak 137 weight 0.11000E+01 volume 0.65154E-02 ppm1 8.789 ppm2 2.397 CV 1 ASSI { 138} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB2 )) 3.800 1.800 1.800 peak 138 weight 0.11000E+01 volume 0.35989E-02 ppm1 8.790 ppm2 2.724 CV 1 ASSI { 139} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB1 )) 2.600 0.800 0.800 peak 139 weight 0.11000E+01 volume 0.11194E-01 ppm1 8.881 ppm2 2.653 CV 1 ASSI { 140} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB1 )) 3.700 1.700 1.700 peak 140 weight 0.11000E+01 volume 0.47656E-02 ppm1 8.791 ppm2 2.936 CV 1 ASSI { 141} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB2 )) 5.000 3.100 1.000 peak 141 weight 0.11000E+01 volume 0.14274E-02 ppm1 9.012 ppm2 2.745 CV 1 ASSI { 142} (( segid " " and resid 21 and name HN )) (( segid " " and resid 25 and name HB2 )) 3.800 1.800 1.800 peak 142 weight 0.11000E+01 volume 0.20517E-02 ppm1 8.101 ppm2 2.841 CV 1 ASSI { 143} (( segid " " and resid 21 and name HN )) (( segid " " and resid 25 and name HB1 )) 4.700 2.800 1.300 peak 143 weight 0.11000E+01 volume 0.11174E-02 ppm1 8.100 ppm2 3.030 CV 1 ASSI { 144} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB1 )) 3.100 1.200 1.200 peak 144 weight 0.11000E+01 volume 0.22320E-02 ppm1 8.103 ppm2 3.308 CV 1 ASSI { 145} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB2 )) 2.300 0.700 0.700 peak 145 weight 0.11000E+01 volume 0.78784E-02 ppm1 7.805 ppm2 2.841 CV 1 ASSI { 146} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB1 )) 4.000 2.000 2.000 peak 146 weight 0.11000E+01 volume 0.27056E-02 ppm1 7.804 ppm2 3.030 CV 1 ASSI { 147} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB2 )) 2.600 0.800 0.800 peak 147 weight 0.11000E+01 volume 0.77061E-02 ppm1 7.614 ppm2 2.727 CV 1 ASSI { 148} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HG1 )) 2.500 0.800 0.800 peak 148 weight 0.11000E+01 volume 0.10271E-01 ppm1 7.810 ppm2 2.447 CV 1 ASSI { 149} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HG2 )) 3.500 1.500 1.500 peak 149 weight 0.11000E+01 volume 0.53218E-02 ppm1 7.810 ppm2 2.054 CV 1 ASSI { 150} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HB1 )) 4.500 2.500 1.500 peak 150 weight 0.11000E+01 volume 0.17068E-02 ppm1 7.894 ppm2 2.031 CV 1 ASSI { 151} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.300 1.300 1.300 peak 151 weight 0.11000E+01 volume 0.31790E-02 ppm1 7.892 ppm2 1.832 CV 1 OR { 151} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB2 )) ASSI { 152} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB )) 2.300 0.700 0.700 peak 152 weight 0.11000E+01 volume 0.10726E-01 ppm1 8.273 ppm2 1.881 CV 1 ASSI { 153} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 25 and name HB2 )) 2.600 0.900 0.900 peak 153 weight 0.11000E+01 volume 0.63287E-02 ppm1 7.130 ppm2 2.843 CV 1 ASSI { 154} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB1 )) 3.400 1.500 1.500 peak 154 weight 0.11000E+01 volume 0.42707E-02 ppm1 7.893 ppm2 1.718 CV 1 OR { 154} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB1 )) ASSI { 155} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HG1 )) 3.700 1.700 1.700 peak 155 weight 0.11000E+01 volume 0.34826E-02 ppm1 7.890 ppm2 1.574 CV 1 OR { 155} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HG2 )) OR { 155} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HG1 )) ASSI { 156} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB2 )) 2.900 1.100 1.100 peak 156 weight 0.11000E+01 volume 0.44650E-02 ppm1 7.810 ppm2 1.593 CV 1 ASSI { 157} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB1 )) 3.800 1.800 1.800 peak 157 weight 0.11000E+01 volume 0.42477E-02 ppm1 7.811 ppm2 1.859 CV 1 ASSI { 158} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HG1 )) 4.100 2.100 1.900 peak 158 weight 0.11000E+01 volume 0.17668E-02 ppm1 7.759 ppm2 1.627 CV 1 ASSI { 159} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB1 )) 4.200 2.200 1.800 peak 159 weight 0.11000E+01 volume 0.25697E-02 ppm1 7.612 ppm2 1.669 CV 1 ASSI { 160} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HB1 )) 3.600 1.600 1.600 peak 160 weight 0.11000E+01 volume 0.41600E-02 ppm1 7.610 ppm2 1.480 CV 1 OR { 160} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HB2 )) ASSI { 161} (( segid " " and resid 19 and name HN )) ( segid " " and resid 17 and name HG1%) 2.800 2.800 3.200 peak 161 weight 0.11000E+01 volume 0.21488E-02 ppm1 7.757 ppm2 1.206 CV 1 ASSI { 162} (( segid " " and resid 19 and name HN )) ( segid " " and resid 17 and name HG2%) 3.500 3.500 2.500 peak 162 weight 0.11000E+01 volume 0.97688E-02 ppm1 7.759 ppm2 1.135 CV 1 ASSI { 163} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB )) 2.400 0.700 0.700 peak 163 weight 0.11000E+01 volume 0.14742E-01 ppm1 8.734 ppm2 2.163 CV 1 ASSI { 164} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB2 )) 2.600 0.900 0.900 peak 164 weight 0.11000E+01 volume 0.21733E-01 ppm1 9.103 ppm2 1.580 CV 1 OR { 164} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HG2 )) OR { 164} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HG1 )) ASSI { 165} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB1 )) 4.100 2.100 1.900 peak 165 weight 0.11000E+01 volume 0.16967E-02 ppm1 9.106 ppm2 1.856 CV 1 ASSI { 166} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB1 )) 2.900 1.000 1.000 peak 166 weight 0.11000E+01 volume 0.12587E-01 ppm1 9.091 ppm2 2.489 CV 1 ASSI { 167} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB2 )) 4.600 2.600 1.400 peak 167 weight 0.11000E+01 volume 0.21050E-02 ppm1 9.142 ppm2 2.397 CV 1 ASSI { 168} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB1 )) 4.400 2.400 1.600 peak 168 weight 0.11000E+01 volume 0.11659E-02 ppm1 9.010 ppm2 2.258 CV 1 ASSI { 169} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB1 )) 2.700 0.900 0.900 peak 169 weight 0.11000E+01 volume 0.79667E-02 ppm1 8.734 ppm2 1.715 CV 1 OR { 169} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB2 )) ASSI { 170} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB1 )) 2.500 0.800 0.800 peak 170 weight 0.11000E+01 volume 0.97784E-02 ppm1 8.790 ppm2 1.674 CV 1 ASSI { 171} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB1 )) 3.300 1.400 1.400 peak 171 weight 0.11000E+01 volume 0.42223E-02 ppm1 8.583 ppm2 1.896 CV 1 OR { 171} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB2 )) ASSI { 172} (( segid " " and resid 12 and name HN )) (( segid " " and resid 15 and name HG2 )) 4.600 2.700 1.400 peak 172 weight 0.11000E+01 volume 0.16104E-02 ppm1 8.584 ppm2 2.067 CV 1 ASSI { 173} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HD1 )) 4.400 2.400 1.600 peak 173 weight 0.11000E+01 volume 0.26853E-02 ppm1 8.584 ppm2 1.599 CV 1 OR { 173} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HD2 )) ASSI { 174} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HB2 )) 2.800 1.000 1.000 peak 174 weight 0.11000E+01 volume 0.99069E-02 ppm1 8.512 ppm2 1.589 CV 1 OR { 174} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HB1 )) OR { 174} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HG )) ASSI { 175} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HG )) 3.300 1.300 1.300 peak 175 weight 0.11000E+01 volume 0.46830E-02 ppm1 8.413 ppm2 1.391 CV 1 ASSI { 176} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG2 )) 2.100 0.500 0.500 peak 176 weight 0.11000E+01 volume 0.17723E-01 ppm1 8.582 ppm2 1.342 CV 1 OR { 176} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG1 )) ASSI { 177} (( segid " " and resid 20 and name HN )) ( segid " " and resid 20 and name HG2%) 3.100 1.200 1.200 peak 177 weight 0.11000E+01 volume 0.50825E-02 ppm1 8.575 ppm2 1.233 CV 1 ASSI { 178} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HD1 )) 3.700 1.700 1.700 peak 178 weight 0.11000E+01 volume 0.10134E-01 ppm1 8.680 ppm2 1.254 CV 1 OR { 178} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HD2 )) ASSI { 179} (( segid " " and resid 17 and name HN )) ( segid " " and resid 17 and name HG1%) 3.200 1.300 1.300 peak 179 weight 0.11000E+01 volume 0.11206E-01 ppm1 8.733 ppm2 1.204 CV 1 ASSI { 180} (( segid " " and resid 17 and name HN )) ( segid " " and resid 17 and name HG2%) 3.500 1.500 1.500 peak 180 weight 0.11000E+01 volume 0.32095E-02 ppm1 8.734 ppm2 1.134 CV 1 ASSI { 181} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HG11)) 2.800 1.000 1.000 peak 181 weight 0.11000E+01 volume 0.51635E-02 ppm1 8.272 ppm2 1.184 CV 1 ASSI { 182} (( segid " " and resid 27 and name HN )) ( segid " " and resid 17 and name HG2%) 4.100 2.100 1.900 peak 182 weight 0.11000E+01 volume 0.16249E-02 ppm1 8.412 ppm2 1.136 CV 1 ASSI { 183} (( segid " " and resid 27 and name HN )) ( segid " " and resid 17 and name HG1%) 3.000 3.000 3.000 peak 183 weight 0.11000E+01 volume 0.14813E-02 ppm1 8.413 ppm2 1.212 CV 1 ASSI { 184} (( segid " " and resid 21 and name HN )) ( segid " " and resid 20 and name HG2%) 4.100 2.200 1.900 peak 184 weight 0.11000E+01 volume 0.29914E-02 ppm1 8.103 ppm2 1.232 CV 1 ASSI { 185} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB1 )) 4.000 2.000 2.000 peak 185 weight 0.11000E+01 volume 0.28844E-02 ppm1 8.446 ppm2 2.034 CV 1 ASSI { 186} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.000 1.100 1.100 peak 186 weight 0.11000E+01 volume 0.64458E-02 ppm1 8.445 ppm2 1.809 CV 1 ASSI { 187} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB1 )) 2.900 1.100 1.100 peak 187 weight 0.11000E+01 volume 0.50151E-02 ppm1 8.445 ppm2 1.693 CV 1 ASSI { 188} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB2 )) 4.100 2.100 1.900 peak 188 weight 0.11000E+01 volume 0.30920E-02 ppm1 8.680 ppm2 1.740 CV 1 ASSI { 189} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA1 )) 2.700 0.900 0.900 peak 189 weight 0.11000E+01 volume 0.71349E-02 ppm1 7.759 ppm2 4.080 CV 1 ASSI { 190} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HA )) 3.600 1.600 1.600 peak 190 weight 0.11000E+01 volume 0.22626E-02 ppm1 7.758 ppm2 4.290 CV 1 ASSI { 191} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA2 )) 3.300 1.300 1.300 peak 191 weight 0.11000E+01 volume 0.25848E-02 ppm1 7.811 ppm2 4.206 CV 1 ASSI { 192} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 2.700 0.900 0.900 peak 192 weight 0.11000E+01 volume 0.11365E-01 ppm1 7.892 ppm2 4.122 CV 1 ASSI { 193} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 2.800 1.000 1.000 peak 193 weight 0.11000E+01 volume 0.88204E-02 ppm1 7.892 ppm2 4.177 CV 1 ASSI { 194} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) 3.200 1.300 1.300 peak 194 weight 0.11000E+01 volume 0.49033E-02 ppm1 7.806 ppm2 4.014 CV 1 OR { 194} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HA2 )) ASSI { 195} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HA )) 3.800 1.800 1.800 peak 195 weight 0.11000E+01 volume 0.61479E-02 ppm1 7.812 ppm2 4.084 CV 1 ASSI { 196} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA1 )) 3.700 1.700 1.700 peak 196 weight 0.11000E+01 volume 0.31083E-02 ppm1 7.812 ppm2 3.801 CV 1 OR { 196} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HA1 )) ASSI { 197} (( segid " " and resid 15 and name HN )) (( segid " " and resid 11 and name HB2 )) 4.400 2.500 1.600 peak 197 weight 0.11000E+01 volume 0.25865E-02 ppm1 7.814 ppm2 3.732 CV 1 ASSI { 198} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA2 )) 3.200 1.300 1.300 peak 198 weight 0.11000E+01 volume 0.49885E-02 ppm1 7.757 ppm2 4.517 CV 1 ASSI { 199} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) 3.100 1.200 1.200 peak 199 weight 0.11000E+01 volume 0.61455E-02 ppm1 7.758 ppm2 4.754 CV 1 ASSI { 200} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA )) 2.900 1.100 1.100 peak 200 weight 0.11000E+01 volume 0.44295E-02 ppm1 7.812 ppm2 4.768 CV 1 ASSI { 201} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) 2.900 1.000 1.000 peak 201 weight 0.11000E+01 volume 0.39899E-02 ppm1 7.799 ppm2 5.089 CV 1 ASSI { 202} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HA )) 3.000 1.200 1.200 peak 202 weight 0.11000E+01 volume 0.37762E-02 ppm1 7.610 ppm2 5.012 CV 1 ASSI { 203} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HA )) 2.200 0.600 0.600 peak 203 weight 0.11000E+01 volume 0.25185E-01 ppm1 7.614 ppm2 4.268 CV 1 ASSI { 204} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 2.400 0.700 0.700 peak 204 weight 0.11000E+01 volume 0.10571E-01 ppm1 9.502 ppm2 7.757 CV 1 ASSI { 205} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB1 )) 2.900 1.000 1.000 peak 205 weight 0.11000E+01 volume 0.49423E-02 ppm1 9.500 ppm2 2.196 CV 1 OR { 205} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB2 )) ASSI { 206} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HG1 )) 3.300 1.400 1.400 peak 206 weight 0.11000E+01 volume 0.89998E-02 ppm1 9.500 ppm2 1.623 CV 1 ASSI { 207} (( segid " " and resid 18 and name HN )) ( segid " " and resid 17 and name HG1%) 3.800 1.800 1.800 peak 207 weight 0.11000E+01 volume 0.41419E-02 ppm1 9.502 ppm2 1.205 CV 1 ASSI { 208} (( segid " " and resid 18 and name HN )) ( segid " " and resid 17 and name HG2%) 4.000 2.000 2.000 peak 208 weight 0.11000E+01 volume 0.45739E-02 ppm1 9.500 ppm2 1.134 CV 1 ASSI { 209} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HN )) 5.500 3.800 0.500 peak 209 weight 0.11000E+01 volume 0.61030E-03 ppm1 9.335 ppm2 7.804 CV 1 ASSI { 210} (( segid " " and resid 26 and name HN )) ( segid " " and resid 25 and name HD% ) 4.600 2.700 1.400 peak 210 weight 0.11000E+01 volume 0.12512E-02 ppm1 9.338 ppm2 7.128 CV 1 ASSI { 211} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB1 )) 2.600 0.800 0.800 peak 211 weight 0.11000E+01 volume 0.17100E-01 ppm1 9.337 ppm2 1.644 CV 1 OR { 211} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB2 )) ASSI { 212} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HG )) 3.000 1.200 1.200 peak 212 weight 0.11000E+01 volume 0.40662E-02 ppm1 9.339 ppm2 1.392 CV 1 ASSI { 213} (( segid " " and resid 26 and name HN )) ( segid " " and resid 26 and name HD1%) 4.500 2.500 1.500 peak 213 weight 0.11000E+01 volume 0.17191E-02 ppm1 9.336 ppm2 0.807 CV 1 ASSI { 214} (( segid " " and resid 26 and name HN )) ( segid " " and resid 26 and name HD2%) 3.300 1.400 1.400 peak 214 weight 0.11000E+01 volume 0.22092E-02 ppm1 9.336 ppm2 0.849 CV 1 ASSI { 217} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HA )) 3.800 1.800 1.800 peak 217 weight 0.11000E+01 volume 0.17596E-02 ppm1 9.099 ppm2 4.284 CV 1 ASSI { 218} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB2 )) 4.800 2.900 1.200 peak 218 weight 0.11000E+01 volume 0.13726E-02 ppm1 9.093 ppm2 2.937 CV 1 ASSI { 219} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HG2 )) 3.200 3.200 2.800 peak 219 weight 0.11000E+01 volume 0.10073E-02 ppm1 9.107 ppm2 2.050 CV 1 ASSI { 220} (( segid " " and resid 28 and name HN )) (( segid " " and resid 5 and name HB2 )) 4.200 2.200 1.800 peak 220 weight 0.11000E+01 volume 0.64722E-03 ppm1 9.017 ppm2 2.391 CV 1 ASSI { 221} (( segid " " and resid 28 and name HN )) (( segid " " and resid 7 and name HG1 )) 4.400 2.400 1.600 peak 221 weight 0.11000E+01 volume 0.10758E-02 ppm1 9.015 ppm2 1.412 CV 1 OR { 221} (( segid " " and resid 28 and name HN )) (( segid " " and resid 7 and name HG2 )) ASSI { 222} (( segid " " and resid 28 and name HN )) (( segid " " and resid 4 and name HB1 )) 3.500 1.600 1.600 peak 222 weight 0.11000E+01 volume 0.17225E-02 ppm1 9.013 ppm2 1.671 CV 1 ASSI { 223} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB1 )) 4.000 2.000 2.000 peak 223 weight 0.11000E+01 volume 0.37668E-02 ppm1 8.914 ppm2 1.739 CV 1 ASSI { 224} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.200 1.300 1.300 peak 224 weight 0.11000E+01 volume 0.58675E-02 ppm1 8.881 ppm2 3.120 CV 1 ASSI { 225} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB1 )) 3.800 1.800 1.800 peak 225 weight 0.11000E+01 volume 0.48840E-02 ppm1 8.882 ppm2 3.376 CV 1 ASSI { 226} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HN )) 4.300 2.300 1.700 peak 226 weight 0.11000E+01 volume 0.17428E-02 ppm1 8.880 ppm2 8.579 CV 1 ASSI { 227} (( segid " " and resid 11 and name HN )) ( segid " " and resid 26 and name HD1%) 3.500 1.500 1.500 peak 227 weight 0.11000E+01 volume 0.40300E-02 ppm1 8.882 ppm2 0.810 CV 1 OR { 227} (( segid " " and resid 11 and name HN )) ( segid " " and resid 26 and name HD2%) ASSI { 228} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HG2 )) 4.400 2.400 1.600 peak 228 weight 0.11000E+01 volume 0.20294E-02 ppm1 8.678 ppm2 0.986 CV 1 OR { 228} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HG1 )) ASSI { 229} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HG2 )) 3.100 1.200 1.200 peak 229 weight 0.11000E+01 volume 0.40761E-02 ppm1 8.829 ppm2 0.978 CV 1 OR { 229} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HG1 )) ASSI { 230} (( segid " " and resid 9 and name HN )) ( segid " " and resid 26 and name HD1%) 4.300 2.400 1.700 peak 230 weight 0.11000E+01 volume 0.12118E-02 ppm1 8.831 ppm2 0.817 CV 1 ASSI { 231} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HD2 )) 5.300 3.500 0.700 peak 231 weight 0.11000E+01 volume 0.13959E-02 ppm1 8.829 ppm2 1.250 CV 1 OR { 231} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HD1 )) ASSI { 232} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB2 )) 4.700 2.700 1.300 peak 232 weight 0.11000E+01 volume 0.12771E-02 ppm1 8.831 ppm2 1.556 CV 1 OR { 232} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB1 )) ASSI { 233} (( segid " " and resid 9 and name HN )) (( segid " " and resid 26 and name HB1 )) 4.700 2.800 1.300 peak 233 weight 0.11000E+01 volume 0.12017E-02 ppm1 8.832 ppm2 1.649 CV 1 OR { 233} (( segid " " and resid 9 and name HN )) (( segid " " and resid 26 and name HB2 )) ASSI { 234} (( segid " " and resid 5 and name HN )) (( segid " " and resid 28 and name HB1 )) 3.900 1.900 1.900 peak 234 weight 0.11000E+01 volume 0.92107E-03 ppm1 8.787 ppm2 3.194 CV 1 ASSI { 235} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HD1 )) 5.000 3.200 1.000 peak 235 weight 0.11000E+01 volume 0.86594E-03 ppm1 8.732 ppm2 3.182 CV 1 OR { 235} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HD2 )) ASSI { 236} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HD1 )) 5.300 3.500 0.700 peak 236 weight 0.11000E+01 volume 0.76688E-03 ppm1 8.681 ppm2 3.230 CV 1 OR { 236} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HD2 )) ASSI { 237} (( segid " " and resid 12 and name HN )) (( segid " " and resid 28 and name HB2 )) 5.000 3.100 1.000 peak 237 weight 0.11000E+01 volume 0.66947E-03 ppm1 8.588 ppm2 2.943 CV 1 ASSI { 238} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HD2 )) 4.600 2.600 1.400 peak 238 weight 0.11000E+01 volume 0.81385E-03 ppm1 8.514 ppm2 3.218 CV 1 OR { 238} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HD1 )) ASSI { 239} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HG1 )) 3.100 1.200 1.200 peak 239 weight 0.11000E+01 volume 0.45329E-02 ppm1 8.513 ppm2 1.345 CV 1 OR { 239} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HG2 )) ASSI { 240} (( segid " " and resid 24 and name HN )) ( segid " " and resid 23 and name HD1%) 2.600 2.600 3.400 peak 240 weight 0.11000E+01 volume 0.31004E-02 ppm1 8.484 ppm2 0.923 CV 1 ASSI { 241} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HG2 )) 2.400 0.700 0.700 peak 241 weight 0.11000E+01 volume 0.52425E-02 ppm1 8.485 ppm2 1.539 CV 1 OR { 241} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HG1 )) ASSI { 242} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB )) 2.500 0.800 0.800 peak 242 weight 0.11000E+01 volume 0.52789E-02 ppm1 8.485 ppm2 1.870 CV 1 OR { 242} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB1 )) OR { 242} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB2 )) ASSI { 243} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HD2 )) 5.100 3.200 0.900 peak 243 weight 0.11000E+01 volume 0.88293E-03 ppm1 8.445 ppm2 3.168 CV 1 OR { 243} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HD1 )) ASSI { 244} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB1 )) 3.000 1.100 1.100 peak 244 weight 0.11000E+01 volume 0.77963E-02 ppm1 8.414 ppm2 2.257 CV 1 ASSI { 245} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB2 )) 3.100 1.200 1.200 peak 245 weight 0.11000E+01 volume 0.25885E-02 ppm1 8.411 ppm2 1.645 CV 1 OR { 245} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB1 )) ASSI { 246} (( segid " " and resid 27 and name HN )) (( segid " " and resid 17 and name HA )) 4.000 2.000 2.000 peak 246 weight 0.11000E+01 volume 0.56863E-03 ppm1 8.412 ppm2 4.294 CV 1 ASSI { 247} (( segid " " and resid 22 and name HN )) (( segid " " and resid 25 and name HB2 )) 3.500 1.500 1.500 peak 247 weight 0.11000E+01 volume 0.87696E-03 ppm1 8.307 ppm2 2.843 CV 1 ASSI { 248} (( segid " " and resid 22 and name HN )) (( segid " " and resid 25 and name HB1 )) 5.500 3.800 0.500 peak 248 weight 0.11000E+01 volume 0.49400E-03 ppm1 8.309 ppm2 3.034 CV 1 ASSI { 249} (( segid " " and resid 23 and name HN )) (( segid " " and resid 25 and name HB2 )) 5.400 3.700 0.600 peak 249 weight 0.11000E+01 volume 0.35650E-03 ppm1 8.275 ppm2 2.837 CV 1 ASSI { 250} (( segid " " and resid 22 and name HN )) ( segid " " and resid 20 and name HG2%) 3.100 3.100 2.900 peak 250 weight 0.11000E+01 volume 0.10719E-02 ppm1 8.307 ppm2 1.226 CV 1 ASSI { 251} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HG12)) 2.600 0.900 0.900 peak 251 weight 0.11000E+01 volume 0.13413E-01 ppm1 8.267 ppm2 1.485 CV 1 OR { 251} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB2 )) OR { 251} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB1 )) ASSI { 252} (( segid " " and resid 21 and name HN )) (( segid " " and resid 27 and name HB1 )) 6.000 4.700 0.000 peak 252 weight 0.11000E+01 volume 0.64139E-03 ppm1 8.102 ppm2 2.256 CV 1 ASSI { 253} (( segid " " and resid 10 and name HN )) ( segid " " and resid 26 and name HD1%) 4.300 2.300 1.700 peak 253 weight 0.11000E+01 volume 0.15290E-02 ppm1 8.074 ppm2 0.806 CV 1 ASSI { 254} (( segid " " and resid 10 and name HN )) (( segid " " and resid 7 and name HB1 )) 3.900 1.900 1.900 peak 254 weight 0.11000E+01 volume 0.91978E-03 ppm1 8.075 ppm2 1.647 CV 1 ASSI { 255} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HA )) 5.800 4.300 0.200 peak 255 weight 0.11000E+01 volume 0.41845E-03 ppm1 7.894 ppm2 4.645 CV 1 ASSI { 256} (( segid " " and resid 15 and name HN )) (( segid " " and resid 11 and name HB1 )) 4.900 3.000 1.100 peak 256 weight 0.11000E+01 volume 0.65997E-03 ppm1 7.811 ppm2 2.653 CV 1 ASSI { 258} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HA )) 4.500 2.600 1.500 peak 258 weight 0.11000E+01 volume 0.61102E-03 ppm1 7.761 ppm2 5.086 CV 1 ASSI { 259} (( segid " " and resid 19 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.000 1.200 1.200 peak 259 weight 0.11000E+01 volume 0.28651E-02 ppm1 7.758 ppm2 2.749 CV 1 ASSI { 260} (( segid " " and resid 19 and name HN )) (( segid " " and resid 27 and name HB1 )) 3.900 1.900 1.900 peak 260 weight 0.11000E+01 volume 0.11842E-02 ppm1 7.758 ppm2 2.254 CV 1 ASSI { 261} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB1 )) 4.000 2.000 2.000 peak 261 weight 0.11000E+01 volume 0.11724E-02 ppm1 7.758 ppm2 2.194 CV 1 OR { 261} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB2 )) ASSI { 262} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 2.200 0.600 0.600 peak 262 weight 0.11000E+01 volume 0.30375E-01 ppm1 8.484 ppm2 4.042 CV 1 OR { 262} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA )) ASSI { 263} ( segid " " and resid 5 and name HD% ) ( segid " " and resid 5 and name HE% ) 2.200 0.600 0.600 peak 263 weight 0.11000E+01 volume 0.31567E-01 ppm1 7.023 ppm2 6.714 CV 1 ASSI { 264} ( segid " " and resid 5 and name HD% ) (( segid " " and resid 29 and name HA )) 4.800 2.900 1.200 peak 264 weight 0.11000E+01 volume 0.72589E-03 ppm1 7.023 ppm2 5.323 CV 1 ASSI { 265} ( segid " " and resid 5 and name HD% ) (( segid " " and resid 4 and name HA )) 3.400 1.400 1.400 peak 265 weight 0.11000E+01 volume 0.31274E-02 ppm1 7.025 ppm2 5.009 CV 1 ASSI { 266} ( segid " " and resid 5 and name HD% ) (( segid " " and resid 5 and name HA )) 3.100 1.200 1.200 peak 266 weight 0.11000E+01 volume 0.56308E-02 ppm1 7.026 ppm2 4.589 CV 1 ASSI { 267} ( segid " " and resid 5 and name HE% ) (( segid " " and resid 5 and name HB1 )) 5.400 3.700 0.600 peak 267 weight 0.11000E+01 volume 0.12699E-02 ppm1 6.712 ppm2 2.934 CV 1 ASSI { 268} ( segid " " and resid 5 and name HD% ) (( segid " " and resid 30 and name HD1 )) 4.100 2.100 1.900 peak 268 weight 0.11000E+01 volume 0.58462E-03 ppm1 7.028 ppm2 3.742 CV 1 ASSI { 269} ( segid " " and resid 5 and name HD% ) (( segid " " and resid 7 and name HD2 )) 5.200 3.300 0.800 peak 269 weight 0.11000E+01 volume 0.86284E-03 ppm1 7.029 ppm2 3.213 CV 1 OR { 269} ( segid " " and resid 5 and name HD% ) (( segid " " and resid 7 and name HD1 )) ASSI { 270} ( segid " " and resid 5 and name HD% ) (( segid " " and resid 5 and name HB1 )) 2.500 0.800 0.800 peak 270 weight 0.11000E+01 volume 0.13884E-01 ppm1 7.029 ppm2 2.932 CV 1 ASSI { 271} ( segid " " and resid 5 and name HD% ) (( segid " " and resid 5 and name HB2 )) 2.500 0.800 0.800 peak 271 weight 0.11000E+01 volume 0.14813E-01 ppm1 7.029 ppm2 2.392 CV 1 ASSI { 272} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 27 and name HB1 )) 2.400 0.700 0.700 peak 272 weight 0.11000E+01 volume 0.11837E-01 ppm1 6.904 ppm2 2.256 CV 1 ASSI { 273} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 27 and name HB2 )) 2.500 0.800 0.800 peak 273 weight 0.11000E+01 volume 0.14979E-01 ppm1 6.902 ppm2 2.748 CV 1 ASSI { 275} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 6 and name HB1 )) 2.700 2.700 3.300 peak 275 weight 0.11000E+01 volume 0.27372E-02 ppm1 6.902 ppm2 3.051 CV 1 ASSI { 277} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 25 and name HB1 )) 2.500 0.800 0.800 peak 277 weight 0.11000E+01 volume 0.82224E-02 ppm1 7.128 ppm2 3.027 CV 1 ASSI { 278} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 21 and name HB2 )) 2.800 1.000 1.000 peak 278 weight 0.11000E+01 volume 0.33502E-02 ppm1 6.902 ppm2 3.216 CV 1 ASSI { 279} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 21 and name HB1 )) 4.700 2.800 1.300 peak 279 weight 0.11000E+01 volume 0.16298E-02 ppm1 6.901 ppm2 3.305 CV 1 ASSI { 280} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 21 and name HB1 )) 4.900 3.000 1.100 peak 280 weight 0.11000E+01 volume 0.82964E-03 ppm1 7.128 ppm2 3.306 CV 1 ASSI { 281} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 22 and name HA1 )) 3.000 1.100 1.100 peak 281 weight 0.11000E+01 volume 0.30646E-02 ppm1 7.129 ppm2 3.760 CV 1 OR { 281} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 8 and name HA )) ASSI { 282} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 22 and name HA2 )) 5.000 3.100 1.000 peak 282 weight 0.11000E+01 volume 0.18643E-02 ppm1 7.130 ppm2 3.990 CV 1 ASSI { 283} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 25 and name HA )) 3.000 1.100 1.100 peak 283 weight 0.11000E+01 volume 0.62409E-02 ppm1 7.130 ppm2 5.097 CV 1 ASSI { 284} ( segid " " and resid 25 and name HE% ) (( segid " " and resid 25 and name HA )) 3.400 1.400 1.400 peak 284 weight 0.11000E+01 volume 0.64471E-03 ppm1 7.353 ppm2 5.103 CV 1 ASSI { 285} (( segid " " and resid 6 and name HA )) (( segid " " and resid 27 and name HA )) 2.600 0.900 0.900 peak 285 weight 0.11000E+01 volume 0.71947E-02 ppm1 5.639 ppm2 4.999 CV 1 ASSI { 286} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HB2 )) 2.700 0.900 0.900 peak 286 weight 0.11000E+01 volume 0.59757E-02 ppm1 5.638 ppm2 2.936 CV 1 ASSI { 287} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HB1 )) 3.000 1.100 1.100 peak 287 weight 0.11000E+01 volume 0.73260E-02 ppm1 5.641 ppm2 3.050 CV 1 ASSI { 288} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HA )) 5.500 3.700 0.500 peak 288 weight 0.11000E+01 volume 0.53436E-03 ppm1 5.639 ppm2 4.833 CV 1 ASSI { 289} (( segid " " and resid 29 and name HA )) (( segid " " and resid 4 and name HA )) 2.200 0.600 0.600 peak 289 weight 0.11000E+01 volume 0.10490E-01 ppm1 5.329 ppm2 5.009 CV 1 ASSI { 291} (( segid " " and resid 29 and name HA )) (( segid " " and resid 4 and name HB1 )) 3.300 1.300 1.300 peak 291 weight 0.11000E+01 volume 0.36753E-02 ppm1 5.329 ppm2 1.670 CV 1 ASSI { 292} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HB2 )) 5.000 3.100 1.000 peak 292 weight 0.11000E+01 volume 0.96540E-03 ppm1 5.642 ppm2 1.736 CV 1 ASSI { 293} (( segid " " and resid 20 and name HA )) (( segid " " and resid 17 and name HA )) 3.300 1.400 1.400 peak 293 weight 0.11000E+01 volume 0.26575E-02 ppm1 5.079 ppm2 4.292 CV 1 ASSI { 297} (( segid " " and resid 23 and name HN )) (( segid " " and resid 25 and name HN )) 3.900 1.900 1.900 peak 297 weight 0.11000E+01 volume 0.13217E-02 ppm1 8.286 ppm2 7.798 CV 1 OR { 297} (( segid " " and resid 22 and name HN )) (( segid " " and resid 25 and name HN )) ASSI { 298} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA1 )) 2.400 0.700 0.700 peak 298 weight 0.11000E+01 volume 0.12462E-01 ppm1 8.307 ppm2 3.780 CV 1 ASSI { 299} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB2 )) 2.600 0.800 0.800 peak 299 weight 0.11000E+01 volume 0.99946E-02 ppm1 5.328 ppm2 3.099 CV 1 ASSI { 300} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB1 )) 2.900 1.000 1.000 peak 300 weight 0.11000E+01 volume 0.59731E-02 ppm1 5.331 ppm2 2.489 CV 1 ASSI { 301} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HG1 )) 5.200 3.400 0.800 peak 301 weight 0.11000E+01 volume 0.65275E-03 ppm1 5.638 ppm2 1.413 CV 1 OR { 301} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HG2 )) ASSI { 302} (( segid " " and resid 6 and name HA )) (( segid " " and resid 5 and name HA )) 5.400 3.700 0.600 peak 302 weight 0.11000E+01 volume 0.51200E-03 ppm1 5.639 ppm2 4.586 CV 1 ASSI { 303} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB )) 2.700 0.900 0.900 peak 303 weight 0.11000E+01 volume 0.53121E-02 ppm1 5.085 ppm2 4.468 CV 1 ASSI { 306} (( segid " " and resid 20 and name HA )) (( segid " " and resid 27 and name HB1 )) 4.800 2.900 1.200 peak 306 weight 0.11000E+01 volume 0.60163E-03 ppm1 5.085 ppm2 2.255 CV 1 OR { 306} (( segid " " and resid 28 and name HA )) (( segid " " and resid 27 and name HB1 )) ASSI { 308} (( segid " " and resid 20 and name HA )) (( segid " " and resid 26 and name HA )) 2.800 1.000 1.000 peak 308 weight 0.11000E+01 volume 0.50208E-02 ppm1 5.086 ppm2 4.737 CV 1 ASSI { 312} (( segid " " and resid 6 and name HA )) (( segid " " and resid 21 and name HB2 )) 4.200 2.200 1.800 peak 312 weight 0.11000E+01 volume 0.69836E-03 ppm1 5.633 ppm2 3.218 CV 1 OR { 312} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HD1 )) ASSI { 313} ( segid " " and resid 25 and name HE% ) (( segid " " and resid 25 and name HB2 )) 4.600 2.700 1.400 peak 313 weight 0.11000E+01 volume 0.22194E-02 ppm1 7.350 ppm2 2.843 CV 1 ASSI { 314} ( segid " " and resid 25 and name HE% ) (( segid " " and resid 24 and name HG2 )) 3.200 1.300 1.300 peak 314 weight 0.11000E+01 volume 0.37617E-02 ppm1 7.354 ppm2 1.508 CV 1 OR { 314} ( segid " " and resid 25 and name HE% ) (( segid " " and resid 24 and name HG1 )) ASSI { 315} ( segid " " and resid 25 and name HE% ) (( segid " " and resid 8 and name HD2 )) 3.300 1.300 1.300 peak 315 weight 0.11000E+01 volume 0.41516E-02 ppm1 7.355 ppm2 1.252 CV 1 OR { 315} ( segid " " and resid 25 and name HE% ) (( segid " " and resid 8 and name HD1 )) ASSI { 316} ( segid " " and resid 25 and name HE% ) (( segid " " and resid 23 and name HB )) 3.000 3.000 3.000 peak 316 weight 0.11000E+01 volume 0.12417E-02 ppm1 7.353 ppm2 1.877 CV 1 ASSI { 317} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 21 and name HA )) 5.400 3.600 0.600 peak 317 weight 0.11000E+01 volume 0.53642E-03 ppm1 6.902 ppm2 4.899 CV 1 ASSI { 318} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 26 and name HA )) 3.300 1.300 1.300 peak 318 weight 0.11000E+01 volume 0.80969E-03 ppm1 6.906 ppm2 4.738 CV 1 ASSI { 319} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 19 and name HA2 )) 3.000 3.000 3.000 peak 319 weight 0.11000E+01 volume 0.13284E-02 ppm1 6.899 ppm2 4.518 CV 1 ASSI { 320} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 26 and name HB2 )) 2.300 2.300 3.700 peak 320 weight 0.11000E+01 volume 0.75960E-02 ppm1 6.902 ppm2 1.627 CV 1 OR { 320} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 26 and name HB1 )) ASSI { 321} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 24 and name HB1 )) 2.800 2.800 3.200 peak 321 weight 0.11000E+01 volume 0.19846E-02 ppm1 7.129 ppm2 1.860 CV 1 OR { 321} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 24 and name HB2 )) ASSI { 322} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 8 and name HD2 )) 4.700 2.700 1.300 peak 322 weight 0.11000E+01 volume 0.12501E-02 ppm1 7.133 ppm2 1.256 CV 1 OR { 322} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 8 and name HD1 )) ASSI { 323} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 8 and name HG1 )) 3.600 1.700 1.700 peak 323 weight 0.11000E+01 volume 0.16790E-02 ppm1 7.133 ppm2 0.983 CV 1 ASSI { 324} ( segid " " and resid 27 and name HE% ) (( segid " " and resid 4 and name HB1 )) 3.700 1.700 1.700 peak 324 weight 0.11000E+01 volume 0.34338E-02 ppm1 6.663 ppm2 1.673 CV 1 ASSI { 325} ( segid " " and resid 27 and name HE% ) (( segid " " and resid 27 and name HA )) 4.600 2.600 1.400 peak 325 weight 0.11000E+01 volume 0.17680E-02 ppm1 6.667 ppm2 5.000 CV 1 ASSI { 326} ( segid " " and resid 27 and name HE% ) (( segid " " and resid 5 and name HA )) 3.300 3.300 2.700 peak 326 weight 0.11000E+01 volume 0.73488E-03 ppm1 6.661 ppm2 4.592 CV 1 ASSI { 327} ( segid " " and resid 27 and name HE% ) (( segid " " and resid 21 and name HB2 )) 3.700 1.700 1.700 peak 327 weight 0.11000E+01 volume 0.13946E-02 ppm1 6.665 ppm2 3.223 CV 1 ASSI { 328} ( segid " " and resid 27 and name HE% ) (( segid " " and resid 6 and name HB1 )) 3.200 3.200 2.800 peak 328 weight 0.11000E+01 volume 0.97533E-03 ppm1 6.663 ppm2 3.053 CV 1 ASSI { 329} ( segid " " and resid 27 and name HE% ) (( segid " " and resid 4 and name HB2 )) 2.700 0.900 0.900 peak 329 weight 0.11000E+01 volume 0.54565E-02 ppm1 6.664 ppm2 2.733 CV 1 ASSI { 330} ( segid " " and resid 5 and name HE% ) (( segid " " and resid 5 and name HA )) 3.400 1.400 1.400 peak 330 weight 0.11000E+01 volume 0.67918E-03 ppm1 6.713 ppm2 4.590 CV 1 ASSI { 331} ( segid " " and resid 5 and name HE% ) (( segid " " and resid 4 and name HA )) 4.900 3.000 1.100 peak 331 weight 0.11000E+01 volume 0.72521E-03 ppm1 6.709 ppm2 5.015 CV 1 ASSI { 332} ( segid " " and resid 5 and name HE% ) (( segid " " and resid 3 and name HA )) 5.000 3.200 1.000 peak 332 weight 0.11000E+01 volume 0.49349E-03 ppm1 6.709 ppm2 4.268 CV 1 ASSI { 333} ( segid " " and resid 5 and name HE% ) (( segid " " and resid 5 and name HB2 )) 5.600 3.900 0.400 peak 333 weight 0.11000E+01 volume 0.11151E-02 ppm1 6.713 ppm2 2.392 CV 1 ASSI { 334} ( segid " " and resid 27 and name HE% ) (( segid " " and resid 27 and name HB1 )) 5.300 3.500 0.700 peak 334 weight 0.11000E+01 volume 0.10061E-02 ppm1 6.665 ppm2 2.255 CV 1 ASSI { 335} (( segid " " and resid 31 and name HE )) (( segid " " and resid 31 and name HB1 )) 3.500 1.600 1.600 peak 335 weight 0.11000E+01 volume 0.32760E-02 ppm1 7.211 ppm2 1.715 CV 1 OR { 335} (( segid " " and resid 32 and name HE )) (( segid " " and resid 32 and name HB1 )) OR { 335} (( segid " " and resid 16 and name HE )) (( segid " " and resid 16 and name HB1 )) OR { 335} (( segid " " and resid 16 and name HE )) (( segid " " and resid 16 and name HB2 )) ASSI { 336} ( segid " " and resid 25 and name HE% ) (( segid " " and resid 8 and name HG1 )) 3.300 1.400 1.400 peak 336 weight 0.11000E+01 volume 0.37958E-02 ppm1 7.353 ppm2 0.982 CV 1 ASSI { 339} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB1 )) 2.700 0.900 0.900 peak 339 weight 0.11000E+01 volume 0.88688E-02 ppm1 4.391 ppm2 1.900 CV 1 OR { 339} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB2 )) ASSI { 341} (( segid " " and resid 14 and name HA2 )) (( segid " " and resid 14 and name HA1 )) 1.600 0.300 0.600 peak 341 weight 0.11000E+01 volume 0.57397E-01 ppm1 4.205 ppm2 3.805 CV 1 ASSI { 342} (( segid " " and resid 9 and name HA2 )) (( segid " " and resid 9 and name HA1 )) 1.600 0.300 0.600 peak 342 weight 0.11000E+01 volume 0.56560E-01 ppm1 4.238 ppm2 3.390 CV 1 ASSI { 343} (( segid " " and resid 17 and name HA )) ( segid " " and resid 17 and name HG2%) 2.700 0.900 0.900 peak 343 weight 0.11000E+01 volume 0.11084E-01 ppm1 4.288 ppm2 1.138 CV 1 ASSI { 345} (( segid " " and resid 8 and name HA )) (( segid " " and resid 9 and name HA1 )) 5.100 3.300 0.900 peak 345 weight 0.11000E+01 volume 0.12420E-02 ppm1 3.747 ppm2 3.382 CV 1 ASSI { 346} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 6 and name HB2 )) 3.600 1.600 1.600 peak 346 weight 0.11000E+01 volume 0.29642E-02 ppm1 3.301 ppm2 2.938 CV 1 ASSI { 347} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 25 and name HB2 )) 2.500 0.800 0.800 peak 347 weight 0.11000E+01 volume 0.65926E-02 ppm1 3.301 ppm2 2.842 CV 1 ASSI { 348} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 27 and name HB1 )) 6.000 6.000 0.000 peak 348 weight 0.11000E+01 volume 0.19527E-02 ppm1 3.299 ppm2 2.257 CV 1 ASSI { 349} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HB2 )) 1.500 0.300 0.700 peak 349 weight 0.11000E+01 volume 0.50137E-01 ppm1 2.927 ppm2 2.388 CV 1 ASSI { 350} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HB1 )) 1.500 0.300 0.700 peak 350 weight 0.11000E+01 volume 0.50036E-01 ppm1 2.750 ppm2 2.256 CV 1 ASSI { 351} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HB1 )) 1.600 0.300 0.600 peak 351 weight 0.11000E+01 volume 0.56714E-01 ppm1 3.096 ppm2 2.490 CV 1 ASSI { 352} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) 5.800 4.200 0.200 peak 352 weight 0.11000E+01 volume 0.44172E-03 ppm1 8.570 ppm2 8.098 CV 1 ASSI { 353} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 10 and name HB1 )) 3.800 1.800 1.800 peak 353 weight 0.11000E+01 volume 0.17981E-02 ppm1 7.292 ppm2 3.380 CV 1 OR { 353} (( segid " " and resid 10 and name HD1 )) (( segid " " and resid 10 and name HB1 )) ASSI { 354} (( segid " " and resid 18 and name HE )) (( segid " " and resid 18 and name HD2 )) 3.200 1.300 1.300 peak 354 weight 0.11000E+01 volume 0.30006E-02 ppm1 7.286 ppm2 3.233 CV 1 OR { 354} (( segid " " and resid 18 and name HE )) (( segid " " and resid 18 and name HD1 )) ASSI { 355} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 10 and name HB2 )) 3.900 1.900 1.900 peak 355 weight 0.11000E+01 volume 0.16949E-02 ppm1 7.287 ppm2 3.123 CV 1 OR { 355} (( segid " " and resid 10 and name HD1 )) (( segid " " and resid 10 and name HB2 )) ASSI { 356} (( segid " " and resid 18 and name HE )) (( segid " " and resid 18 and name HB2 )) 3.800 1.800 1.800 peak 356 weight 0.11000E+01 volume 0.15796E-02 ppm1 7.282 ppm2 2.201 CV 1 OR { 356} (( segid " " and resid 18 and name HE )) (( segid " " and resid 18 and name HB1 )) ASSI { 357} (( segid " " and resid 18 and name HE )) (( segid " " and resid 18 and name HG1 )) 3.300 1.400 1.400 peak 357 weight 0.11000E+01 volume 0.21618E-02 ppm1 7.283 ppm2 1.621 CV 1 ASSI { 358} (( segid " " and resid 18 and name HE )) (( segid " " and resid 18 and name HG2 )) 3.900 1.900 1.900 peak 358 weight 0.11000E+01 volume 0.18344E-02 ppm1 7.283 ppm2 1.692 CV 1 ASSI { 359} (( segid " " and resid 10 and name HD1 )) (( segid " " and resid 9 and name HA2 )) 5.200 3.400 0.800 peak 359 weight 0.11000E+01 volume 0.76914E-03 ppm1 7.290 ppm2 4.238 CV 1 ASSI { 360} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 12 and name HA )) 4.900 3.000 1.100 peak 360 weight 0.11000E+01 volume 0.40014E-03 ppm1 7.286 ppm2 4.384 CV 1 OR { 360} (( segid " " and resid 10 and name HD1 )) (( segid " " and resid 12 and name HA )) ASSI { 361} (( segid " " and resid 10 and name HD1 )) (( segid " " and resid 10 and name HA )) 5.100 3.300 0.900 peak 361 weight 0.11000E+01 volume 0.43423E-03 ppm1 7.291 ppm2 4.630 CV 1 OR { 361} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 10 and name HA )) ASSI { 362} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB2 )) 4.300 2.300 1.700 peak 362 weight 0.11000E+01 volume 0.13519E-02 ppm1 8.914 ppm2 1.834 CV 1 ASSI { 363} (( segid " " and resid 11 and name HN )) (( segid " " and resid 15 and name HG1 )) 4.500 2.500 1.500 peak 363 weight 0.11000E+01 volume 0.45688E-03 ppm1 8.884 ppm2 2.443 CV 1 ASSI { 364} (( segid " " and resid 20 and name HN )) (( segid " " and resid 27 and name HB1 )) 5.500 3.700 0.500 peak 364 weight 0.11000E+01 volume 0.67466E-03 ppm1 8.575 ppm2 2.256 CV 1 ASSI { 365} (( segid " " and resid 20 and name HN )) (( segid " " and resid 27 and name HB2 )) 4.100 2.100 1.900 peak 365 weight 0.11000E+01 volume 0.83196E-03 ppm1 8.576 ppm2 2.746 CV 1 ASSI { 366} (( segid " " and resid 10 and name HN )) (( segid " " and resid 7 and name HB2 )) 5.100 3.300 0.900 peak 366 weight 0.11000E+01 volume 0.46686E-03 ppm1 8.073 ppm2 1.744 CV 1 ASSI { 367} (( segid " " and resid 27 and name HN )) (( segid " " and resid 6 and name HA )) 5.800 4.200 0.200 peak 367 weight 0.11000E+01 volume 0.31949E-03 ppm1 8.413 ppm2 5.638 CV 1 ASSI { 368} (( segid " " and resid 27 and name HN )) (( segid " " and resid 21 and name HB2 )) 5.600 3.900 0.400 peak 368 weight 0.11000E+01 volume 0.36589E-03 ppm1 8.415 ppm2 3.219 CV 1 ASSI { 369} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HB2 )) 5.600 3.900 0.400 peak 369 weight 0.11000E+01 volume 0.42292E-03 ppm1 8.487 ppm2 2.843 CV 1 ASSI { 370} (( segid " " and resid 11 and name HN )) (( segid " " and resid 7 and name HD2 )) 5.300 3.500 0.700 peak 370 weight 0.11000E+01 volume 0.53093E-03 ppm1 8.880 ppm2 3.218 CV 1 OR { 370} (( segid " " and resid 11 and name HN )) (( segid " " and resid 7 and name HD1 )) ASSI { 371} (( segid " " and resid 7 and name HN )) (( segid " " and resid 26 and name HA )) 5.500 3.800 0.500 peak 371 weight 0.11000E+01 volume 0.31264E-03 ppm1 9.899 ppm2 4.730 CV 1 ASSI { 372} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HN )) 4.400 2.400 1.600 peak 372 weight 0.11000E+01 volume 0.13626E-02 ppm1 8.824 ppm2 8.667 CV 1 ASSI { 373} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HN )) 4.100 2.100 1.900 peak 373 weight 0.11000E+01 volume 0.10982E-02 ppm1 8.578 ppm2 7.785 CV 1 ASSI { 374} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HB2 )) 4.100 2.100 1.900 peak 374 weight 0.11000E+01 volume 0.59399E-03 ppm1 7.892 ppm2 2.479 CV 1 ASSI { 375} (( segid " " and resid 29 and name HA )) (( segid " " and resid 30 and name HD2 )) 2.200 0.600 0.600 peak 375 weight 0.11000E+01 volume 0.17753E-01 ppm1 5.329 ppm2 3.988 CV 1 ASSI { 376} (( segid " " and resid 29 and name HA )) (( segid " " and resid 30 and name HD1 )) 2.100 0.600 0.600 peak 376 weight 0.11000E+01 volume 0.13490E-01 ppm1 5.329 ppm2 3.738 CV 1 ASSI { 377} ( segid " " and resid 5 and name HD% ) (( segid " " and resid 30 and name HD2 )) 4.400 2.400 1.600 peak 377 weight 0.11000E+01 volume 0.17203E-02 ppm1 7.028 ppm2 3.989 CV 1 ASSI { 378} ( segid " " and resid 25 and name HE% ) (( segid " " and resid 8 and name HA )) 3.500 1.500 1.500 peak 378 weight 0.11000E+01 volume 0.52780E-03 ppm1 7.351 ppm2 3.751 CV 1 ASSI { 379} ( segid " " and resid 25 and name HE% ) (( segid " " and resid 25 and name HB1 )) 5.500 3.700 0.500 peak 379 weight 0.11000E+01 volume 0.76552E-03 ppm1 7.350 ppm2 3.028 CV 1 ASSI { 380} ( segid " " and resid 5 and name HE% ) (( segid " " and resid 30 and name HD1 )) 4.400 4.400 1.600 peak 380 weight 0.11000E+01 volume 0.83636E-03 ppm1 6.709 ppm2 3.743 CV 1 ASSI { 381} ( segid " " and resid 5 and name HE% ) (( segid " " and resid 30 and name HD2 )) 4.600 2.700 1.400 peak 381 weight 0.11000E+01 volume 0.11161E-02 ppm1 6.713 ppm2 3.986 CV 1 ASSI { 382} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 28 and name HB1 )) 3.000 1.100 1.100 peak 382 weight 0.11000E+01 volume 0.77752E-02 ppm1 3.725 ppm2 3.200 CV 1 ASSI { 383} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 29 and name HB2 )) 4.000 2.000 2.000 peak 383 weight 0.11000E+01 volume 0.65998E-02 ppm1 3.742 ppm2 3.096 CV 1 ASSI { 384} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HB1 )) 1.600 0.300 0.600 peak 384 weight 0.11000E+01 volume 0.35272E-01 ppm1 3.724 ppm2 2.648 CV 1 ASSI { 386} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 15 and name HB2 )) 4.100 2.100 1.900 peak 386 weight 0.11000E+01 volume 0.89333E-02 ppm1 3.723 ppm2 1.595 CV 1 ASSI { 387} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 15 and name HG1 )) 2.600 0.900 0.900 peak 387 weight 0.11000E+01 volume 0.15754E-01 ppm1 3.721 ppm2 2.446 CV 1 ASSI { 388} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 30 and name HG2 )) 3.000 1.100 1.100 peak 388 weight 0.11000E+01 volume 0.76434E-02 ppm1 3.741 ppm2 2.158 CV 1 ASSI { 389} (( segid " " and resid 22 and name HA2 )) (( segid " " and resid 25 and name HB2 )) 4.300 2.300 1.700 peak 389 weight 0.11000E+01 volume 0.20846E-02 ppm1 3.989 ppm2 2.843 CV 1 ASSI { 391} (( segid " " and resid 22 and name HA1 )) (( segid " " and resid 25 and name HB2 )) 3.300 1.400 1.400 peak 391 weight 0.11000E+01 volume 0.12566E-02 ppm1 3.784 ppm2 2.848 CV 1 ASSI { 393} (( segid " " and resid 21 and name HN )) ( segid " " and resid 25 and name HD% ) 6.000 5.700 0.000 peak 393 weight 0.11000E+01 volume 0.38174E-03 ppm1 8.101 ppm2 7.124 CV 1 ASSI { 394} (( segid " " and resid 22 and name HN )) ( segid " " and resid 25 and name HD% ) 6.000 5.400 0.000 peak 394 weight 0.11000E+01 volume 0.19928E-03 ppm1 8.310 ppm2 7.126 CV 1 ASSI { 395} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HD1 )) 4.900 2.900 1.100 peak 395 weight 0.11000E+01 volume 0.41977E-03 ppm1 8.072 ppm2 7.291 CV 1 ASSI { 397} (( segid " " and resid 4 and name HN )) (( segid " " and resid 29 and name HA )) 5.900 4.400 0.100 peak 397 weight 0.11000E+01 volume 0.46557E-03 ppm1 7.615 ppm2 5.326 CV 1 ASSI { 399} (( segid " " and resid 7 and name HE )) (( segid " " and resid 12 and name HN )) 3.100 1.200 1.200 peak 399 weight 0.11000E+01 volume 0.37881E-02 ppm1 9.619 ppm2 8.579 CV 1 ASSI { 401} (( segid " " and resid 7 and name HE )) (( segid " " and resid 7 and name HH21)) 2.800 1.000 1.000 peak 401 weight 0.11000E+01 volume 0.84965E-02 ppm1 9.620 ppm2 6.561 CV 1 OR { 401} (( segid " " and resid 7 and name HE )) (( segid " " and resid 7 and name HH22)) OR { 401} (( segid " " and resid 7 and name HE )) (( segid " " and resid 7 and name HH12)) ASSI { 402} (( segid " " and resid 7 and name HE )) (( segid " " and resid 11 and name HA )) 3.700 1.700 1.700 peak 402 weight 0.11000E+01 volume 0.21101E-02 ppm1 9.620 ppm2 5.022 CV 1 ASSI { 403} (( segid " " and resid 7 and name HE )) (( segid " " and resid 7 and name HA )) 6.000 4.600 0.000 peak 403 weight 0.11000E+01 volume 0.52903E-03 ppm1 9.621 ppm2 4.819 CV 1 ASSI { 404} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HA1 )) 6.000 4.800 0.000 peak 404 weight 0.11000E+01 volume 0.50439E-03 ppm1 9.499 ppm2 4.079 CV 1 ASSI { 405} (( segid " " and resid 7 and name HE )) (( segid " " and resid 11 and name HB2 )) 4.800 2.900 1.200 peak 405 weight 0.11000E+01 volume 0.57271E-03 ppm1 9.622 ppm2 3.727 CV 1 ASSI { 406} (( segid " " and resid 7 and name HE )) (( segid " " and resid 5 and name HB1 )) 3.600 1.600 1.600 peak 406 weight 0.11000E+01 volume 0.26908E-02 ppm1 9.620 ppm2 2.937 CV 1 ASSI { 407} (( segid " " and resid 7 and name HE )) (( segid " " and resid 5 and name HB2 )) 3.700 1.700 1.700 peak 407 weight 0.11000E+01 volume 0.12813E-02 ppm1 9.620 ppm2 2.394 CV 1 ASSI { 408} (( segid " " and resid 7 and name HE )) (( segid " " and resid 12 and name HB1 )) 5.600 3.900 0.400 peak 408 weight 0.11000E+01 volume 0.44303E-03 ppm1 9.619 ppm2 1.887 CV 1 OR { 408} (( segid " " and resid 7 and name HE )) (( segid " " and resid 12 and name HB2 )) ASSI { 409} (( segid " " and resid 7 and name HE )) (( segid " " and resid 7 and name HB2 )) 4.400 2.400 1.600 peak 409 weight 0.11000E+01 volume 0.27404E-02 ppm1 9.621 ppm2 1.733 CV 1 ASSI { 410} (( segid " " and resid 7 and name HE )) (( segid " " and resid 7 and name HB1 )) 4.800 2.900 1.200 peak 410 weight 0.11000E+01 volume 0.12859E-02 ppm1 9.621 ppm2 1.646 CV 1 ASSI { 411} (( segid " " and resid 7 and name HE )) (( segid " " and resid 12 and name HD1 )) 4.600 2.700 1.400 peak 411 weight 0.11000E+01 volume 0.85318E-03 ppm1 9.619 ppm2 1.546 CV 1 OR { 411} (( segid " " and resid 7 and name HE )) (( segid " " and resid 12 and name HD2 )) ASSI { 412} (( segid " " and resid 7 and name HE )) (( segid " " and resid 12 and name HG2 )) 3.000 1.100 1.100 peak 412 weight 0.11000E+01 volume 0.53224E-02 ppm1 9.620 ppm2 1.334 CV 1 OR { 412} (( segid " " and resid 7 and name HE )) (( segid " " and resid 12 and name HG1 )) ASSI { 413} (( segid " " and resid 7 and name HE )) (( segid " " and resid 7 and name HG2 )) 3.100 1.200 1.200 peak 413 weight 0.11000E+01 volume 0.35760E-02 ppm1 9.621 ppm2 1.411 CV 1 OR { 413} (( segid " " and resid 7 and name HE )) (( segid " " and resid 7 and name HG1 )) ASSI { 415} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HG11)) 5.000 3.100 1.000 peak 415 weight 0.11000E+01 volume 0.91635E-03 ppm1 8.482 ppm2 1.185 CV 1 ASSI { 416} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB1 )) 2.500 0.800 0.800 peak 416 weight 0.11000E+01 volume 0.96924E-02 ppm1 8.678 ppm2 1.560 CV 1 OR { 416} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB2 )) ASSI { 417} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB1 )) 2.600 0.800 0.800 peak 417 weight 0.11000E+01 volume 0.47581E-02 ppm1 8.679 ppm2 1.644 CV 1 ASSI { 418} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HG2 )) 3.100 1.200 1.200 peak 418 weight 0.11000E+01 volume 0.69264E-02 ppm1 8.445 ppm2 1.575 CV 1 OR { 418} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HG1 )) ASSI { 419} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB1 )) 2.800 1.000 1.000 peak 419 weight 0.11000E+01 volume 0.13517E-01 ppm1 8.513 ppm2 1.743 CV 1 ASSI { 422} (( segid " " and resid 26 and name HN )) (( segid " " and resid 7 and name HB2 )) 3.900 1.900 1.900 peak 422 weight 0.11000E+01 volume 0.12734E-02 ppm1 9.336 ppm2 1.738 CV 1 ASSI { 424} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HN )) 5.800 4.200 0.200 peak 424 weight 0.11000E+01 volume 0.41262E-03 ppm1 8.792 ppm2 9.139 CV 1 ASSI { 433} (( segid " " and resid 28 and name HN )) (( segid " " and resid 7 and name HN )) 4.300 2.300 1.700 peak 433 weight 0.11000E+01 volume 0.11599E-02 ppm1 9.011 ppm2 9.903 CV 1 ASSI { 440} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HN )) 4.300 2.300 1.700 peak 440 weight 0.11000E+01 volume 0.17077E-02 ppm1 8.075 ppm2 8.832 CV 1 ASSI { 445} (( segid " " and resid 19 and name HN )) (( segid " " and resid 27 and name HN )) 4.300 2.300 1.700 peak 445 weight 0.11000E+01 volume 0.18142E-02 ppm1 7.758 ppm2 8.409 CV 1 ASSI { 450} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HN )) 4.400 2.400 1.600 peak 450 weight 0.11000E+01 volume 0.62320E-03 ppm1 7.798 ppm2 8.289 CV 1 OR { 450} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HN )) ASSI { 452} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HD2 )) 4.900 3.000 1.100 peak 452 weight 0.11000E+01 volume 0.67306E-03 ppm1 7.811 ppm2 3.209 CV 1 OR { 452} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HD1 )) ASSI { 453} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HD1 )) 5.400 3.700 0.600 peak 453 weight 0.11000E+01 volume 0.57342E-03 ppm1 7.893 ppm2 3.177 CV 1 OR { 453} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HD2 )) ASSI { 454} (( segid " " and resid 27 and name HN )) ( segid " " and resid 26 and name HD2%) 2.700 2.700 3.300 peak 454 weight 0.11000E+01 volume 0.25735E-02 ppm1 8.411 ppm2 0.856 CV 1 ASSI { 455} (( segid " " and resid 3 and name HN )) ( segid " " and resid 3 and name HD2%) 3.800 1.800 1.800 peak 455 weight 0.11000E+01 volume 0.46529E-02 ppm1 8.264 ppm2 0.863 CV 1 OR { 455} (( segid " " and resid 3 and name HN )) ( segid " " and resid 3 and name HD1%) ASSI { 456} (( segid " " and resid 23 and name HN )) ( segid " " and resid 23 and name HD1%) 3.500 1.500 1.500 peak 456 weight 0.11000E+01 volume 0.56135E-02 ppm1 8.274 ppm2 0.915 CV 1 ASSI { 457} (( segid " " and resid 4 and name HN )) ( segid " " and resid 3 and name HD2%) 3.000 3.000 3.000 peak 457 weight 0.11000E+01 volume 0.13435E-02 ppm1 7.610 ppm2 0.871 CV 1 OR { 457} (( segid " " and resid 4 and name HN )) ( segid " " and resid 3 and name HD1%) ASSI { 458} (( segid " " and resid 32 and name HE )) (( segid " " and resid 32 and name HG2 )) 2.800 0.900 0.900 peak 458 weight 0.11000E+01 volume 0.78159E-02 ppm1 7.211 ppm2 1.551 CV 1 OR { 458} (( segid " " and resid 32 and name HE )) (( segid " " and resid 32 and name HG1 )) OR { 458} (( segid " " and resid 13 and name HE )) (( segid " " and resid 13 and name HG1 )) OR { 458} (( segid " " and resid 31 and name HE )) (( segid " " and resid 31 and name HG1 )) OR { 458} (( segid " " and resid 13 and name HE )) (( segid " " and resid 13 and name HG2 )) OR { 458} (( segid " " and resid 31 and name HE )) (( segid " " and resid 31 and name HG2 )) OR { 458} (( segid " " and resid 16 and name HE )) (( segid " " and resid 16 and name HG2 )) OR { 458} (( segid " " and resid 16 and name HE )) (( segid " " and resid 16 and name HG1 )) ASSI { 459} ( segid " " and resid 5 and name HD% ) (( segid " " and resid 7 and name HG1 )) 4.900 3.000 1.100 peak 459 weight 0.11000E+01 volume 0.99168E-03 ppm1 7.026 ppm2 1.434 CV 1 OR { 459} ( segid " " and resid 5 and name HD% ) (( segid " " and resid 7 and name HG2 )) ASSI { 460} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 8 and name HB2 )) 3.500 1.500 1.500 peak 460 weight 0.11000E+01 volume 0.12809E-02 ppm1 7.128 ppm2 1.551 CV 1 OR { 460} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 8 and name HB1 )) ASSI { 461} ( segid " " and resid 5 and name HD% ) (( segid " " and resid 4 and name HB1 )) 5.700 4.100 0.300 peak 461 weight 0.11000E+01 volume 0.58797E-03 ppm1 7.028 ppm2 1.672 CV 1 ASSI { 462} (( segid " " and resid 31 and name HE )) (( segid " " and resid 31 and name HB2 )) 3.600 1.600 1.600 peak 462 weight 0.11000E+01 volume 0.26632E-02 ppm1 7.214 ppm2 1.850 CV 1 OR { 462} (( segid " " and resid 32 and name HE )) (( segid " " and resid 32 and name HB2 )) OR { 462} (( segid " " and resid 24 and name HE )) (( segid " " and resid 24 and name HB1 )) OR { 462} (( segid " " and resid 13 and name HE )) (( segid " " and resid 13 and name HB2 )) ASSI { 463} ( segid " " and resid 5 and name HD% ) (( segid " " and resid 30 and name HG1 )) 4.700 2.700 1.300 peak 463 weight 0.11000E+01 volume 0.61629E-03 ppm1 7.024 ppm2 2.252 CV 1 ASSI { 464} (( segid " " and resid 31 and name HE )) (( segid " " and resid 31 and name HD2 )) 2.500 0.800 0.800 peak 464 weight 0.11000E+01 volume 0.13351E-01 ppm1 7.211 ppm2 3.174 CV 1 OR { 464} (( segid " " and resid 32 and name HE )) (( segid " " and resid 32 and name HD1 )) OR { 464} (( segid " " and resid 32 and name HE )) (( segid " " and resid 32 and name HD2 )) OR { 464} (( segid " " and resid 31 and name HE )) (( segid " " and resid 31 and name HD1 )) OR { 464} (( segid " " and resid 13 and name HE )) (( segid " " and resid 13 and name HD2 )) OR { 464} (( segid " " and resid 16 and name HE )) (( segid " " and resid 16 and name HD1 )) OR { 464} (( segid " " and resid 13 and name HE )) (( segid " " and resid 13 and name HD1 )) ASSI { 465} (( segid " " and resid 13 and name HE )) (( segid " " and resid 13 and name HD2 )) 3.000 1.100 1.100 peak 465 weight 0.11000E+01 volume 0.42027E-02 ppm1 7.186 ppm2 3.215 CV 1 OR { 465} (( segid " " and resid 13 and name HE )) (( segid " " and resid 13 and name HD1 )) ASSI { 466} (( segid " " and resid 31 and name HE )) (( segid " " and resid 31 and name HA )) 5.300 3.500 0.700 peak 466 weight 0.11000E+01 volume 0.75796E-03 ppm1 7.210 ppm2 4.115 CV 1 ASSI { 467} ( segid " " and resid 5 and name HD% ) (( segid " " and resid 7 and name HH21)) 3.800 1.800 1.800 peak 467 weight 0.11000E+01 volume 0.29138E-02 ppm1 7.028 ppm2 6.562 CV 1 OR { 467} ( segid " " and resid 5 and name HD% ) (( segid " " and resid 7 and name HH22)) OR { 467} ( segid " " and resid 5 and name HD% ) (( segid " " and resid 7 and name HH12)) OR { 467} ( segid " " and resid 5 and name HD% ) (( segid " " and resid 7 and name HH11)) ASSI { 468} (( segid " " and resid 4 and name HN )) ( segid " " and resid 27 and name HD% ) 5.200 3.400 0.800 peak 468 weight 0.11000E+01 volume 0.17429E-02 ppm1 7.603 ppm2 6.913 CV 1 ASSI { 472} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 23 and name HN )) 3.600 1.600 1.600 peak 472 weight 0.11000E+01 volume 0.11181E-02 ppm1 7.130 ppm2 8.274 CV 1 ASSI { 473} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 27 and name HN )) 4.800 2.900 1.200 peak 473 weight 0.11000E+01 volume 0.11755E-02 ppm1 6.905 ppm2 8.411 CV 1 ASSI { 474} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 5 and name HN )) 5.300 3.500 0.700 peak 474 weight 0.11000E+01 volume 0.57674E-03 ppm1 6.898 ppm2 8.784 CV 1 ASSI { 475} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 20 and name HN )) 3.500 3.500 2.500 peak 475 weight 0.11000E+01 volume 0.57271E-03 ppm1 6.902 ppm2 8.575 CV 1 ASSI { 477} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 9 and name HN )) 6.000 4.600 0.000 peak 477 weight 0.11000E+01 volume 0.46961E-03 ppm1 7.127 ppm2 8.831 CV 1 ASSI { 478} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 8 and name HN )) 4.200 2.200 1.800 peak 478 weight 0.11000E+01 volume 0.11010E-02 ppm1 7.130 ppm2 8.673 CV 1 ASSI { 479} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 24 and name HN )) 3.900 1.900 1.900 peak 479 weight 0.11000E+01 volume 0.89031E-03 ppm1 7.131 ppm2 8.487 CV 1 ASSI { 482} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 6 and name HN )) 5.100 3.200 0.900 peak 482 weight 0.11000E+01 volume 0.65922E-03 ppm1 6.897 ppm2 9.137 CV 1 ASSI { 483} ( segid " " and resid 5 and name HD% ) (( segid " " and resid 6 and name HN )) 4.400 2.500 1.600 peak 483 weight 0.11000E+01 volume 0.19248E-02 ppm1 7.029 ppm2 9.138 CV 1 ASSI { 484} (( segid " " and resid 16 and name HE )) (( segid " " and resid 16 and name HN )) 5.800 4.200 0.200 peak 484 weight 0.11000E+01 volume 0.40456E-03 ppm1 7.216 ppm2 9.098 CV 1 ASSI { 486} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 18 and name HN )) 3.300 1.400 1.400 peak 486 weight 0.11000E+01 volume 0.74841E-03 ppm1 6.900 ppm2 9.498 CV 1 ASSI { 487} ( segid " " and resid 5 and name HD% ) (( segid " " and resid 7 and name HE )) 4.700 2.800 1.300 peak 487 weight 0.11000E+01 volume 0.91961E-03 ppm1 7.030 ppm2 9.622 CV 1 ASSI { 490} (( segid " " and resid 7 and name HH21)) (( segid " " and resid 7 and name HE )) 2.900 1.000 1.000 peak 490 weight 0.11000E+01 volume 0.66669E-02 ppm1 6.561 ppm2 9.621 CV 1 OR { 490} (( segid " " and resid 7 and name HH22)) (( segid " " and resid 7 and name HE )) OR { 490} (( segid " " and resid 7 and name HH12)) (( segid " " and resid 7 and name HE )) ASSI { 491} ( segid " " and resid 27 and name HE% ) (( segid " " and resid 6 and name HN )) 3.600 1.600 1.600 peak 491 weight 0.11000E+01 volume 0.45711E-03 ppm1 6.666 ppm2 9.141 CV 1 ASSI { 492} ( segid " " and resid 27 and name HE% ) (( segid " " and resid 28 and name HN )) 3.500 1.500 1.500 peak 492 weight 0.11000E+01 volume 0.55147E-03 ppm1 6.666 ppm2 9.015 CV 1 ASSI { 493} ( segid " " and resid 5 and name HE% ) (( segid " " and resid 5 and name HN )) 6.000 5.500 0.000 peak 493 weight 0.11000E+01 volume 0.30343E-03 ppm1 6.706 ppm2 8.786 CV 1 ASSI { 494} ( segid " " and resid 27 and name HE% ) (( segid " " and resid 5 and name HN )) 3.600 1.600 1.600 peak 494 weight 0.11000E+01 volume 0.45787E-03 ppm1 6.666 ppm2 8.787 CV 1 ASSI { 496} (( segid " " and resid 7 and name HH21)) ( segid " " and resid 5 and name HD% ) 3.400 1.400 1.400 peak 496 weight 0.11000E+01 volume 0.70065E-03 ppm1 6.559 ppm2 7.026 CV 1 OR { 496} (( segid " " and resid 7 and name HH22)) ( segid " " and resid 5 and name HD% ) OR { 496} (( segid " " and resid 7 and name HH12)) ( segid " " and resid 5 and name HD% ) ASSI { 497} ( segid " " and resid 27 and name HE% ) ( segid " " and resid 27 and name HD% ) 2.100 0.500 0.500 peak 497 weight 0.11000E+01 volume 0.34230E-01 ppm1 6.665 ppm2 6.902 CV 1 ASSI { 498} (( segid " " and resid 7 and name HH11)) (( segid " " and resid 11 and name HA )) 5.500 3.800 0.500 peak 498 weight 0.11000E+01 volume 0.48406E-03 ppm1 6.559 ppm2 5.019 CV 1 OR { 498} (( segid " " and resid 7 and name HH12)) (( segid " " and resid 11 and name HA )) OR { 498} (( segid " " and resid 7 and name HH21)) (( segid " " and resid 11 and name HA )) ASSI { 499} ( segid " " and resid 27 and name HD% ) (( segid " " and resid 19 and name HA1 )) 4.800 2.900 1.200 peak 499 weight 0.11000E+01 volume 0.27647E-03 ppm1 6.896 ppm2 4.082 CV 1 ASSI { 500} (( segid " " and resid 7 and name HH11)) (( segid " " and resid 7 and name HD2 )) 2.600 0.900 0.900 peak 500 weight 0.11000E+01 volume 0.12813E-01 ppm1 6.561 ppm2 3.231 CV 1 OR { 500} (( segid " " and resid 7 and name HH11)) (( segid " " and resid 7 and name HD1 )) OR { 500} (( segid " " and resid 7 and name HH12)) (( segid " " and resid 7 and name HD2 )) OR { 500} (( segid " " and resid 7 and name HH12)) (( segid " " and resid 7 and name HD1 )) OR { 500} (( segid " " and resid 7 and name HH21)) (( segid " " and resid 7 and name HD2 )) OR { 500} (( segid " " and resid 7 and name HH21)) (( segid " " and resid 7 and name HD1 )) ASSI { 501} (( segid " " and resid 7 and name HH21)) (( segid " " and resid 5 and name HB1 )) 4.000 2.000 2.000 peak 501 weight 0.11000E+01 volume 0.13202E-02 ppm1 6.562 ppm2 2.933 CV 1 OR { 501} (( segid " " and resid 7 and name HH22)) (( segid " " and resid 5 and name HB1 )) OR { 501} (( segid " " and resid 7 and name HH11)) (( segid " " and resid 5 and name HB1 )) OR { 501} (( segid " " and resid 7 and name HH12)) (( segid " " and resid 5 and name HB1 )) ASSI { 503} ( segid " " and resid 27 and name HE% ) (( segid " " and resid 6 and name HB2 )) 4.500 2.500 1.500 peak 503 weight 0.11000E+01 volume 0.30475E-03 ppm1 6.667 ppm2 2.939 CV 1 ASSI { 504} (( segid " " and resid 7 and name HH21)) (( segid " " and resid 5 and name HB2 )) 4.200 2.200 1.800 peak 504 weight 0.11000E+01 volume 0.11164E-02 ppm1 6.562 ppm2 2.393 CV 1 OR { 504} (( segid " " and resid 7 and name HH22)) (( segid " " and resid 5 and name HB2 )) OR { 504} (( segid " " and resid 7 and name HH11)) (( segid " " and resid 5 and name HB2 )) OR { 504} (( segid " " and resid 7 and name HH12)) (( segid " " and resid 5 and name HB2 )) ASSI { 505} ( segid " " and resid 5 and name HE% ) (( segid " " and resid 30 and name HG1 )) 3.900 1.900 1.900 peak 505 weight 0.11000E+01 volume 0.10982E-02 ppm1 6.713 ppm2 2.253 CV 1 ASSI { 506} ( segid " " and resid 5 and name HE% ) (( segid " " and resid 30 and name HG2 )) 4.700 2.800 1.300 peak 506 weight 0.11000E+01 volume 0.78177E-03 ppm1 6.713 ppm2 2.159 CV 1 ASSI { 507} ( segid " " and resid 27 and name HE% ) (( segid " " and resid 18 and name HB1 )) 3.000 3.000 3.000 peak 507 weight 0.11000E+01 volume 0.12665E-02 ppm1 6.665 ppm2 2.208 CV 1 OR { 507} ( segid " " and resid 27 and name HE% ) (( segid " " and resid 18 and name HB2 )) ASSI { 508} (( segid " " and resid 7 and name HH11)) (( segid " " and resid 7 and name HB2 )) 3.600 1.600 1.600 peak 508 weight 0.11000E+01 volume 0.80257E-02 ppm1 6.560 ppm2 1.729 CV 1 OR { 508} (( segid " " and resid 7 and name HH21)) (( segid " " and resid 7 and name HB2 )) ASSI { 509} (( segid " " and resid 7 and name HH11)) (( segid " " and resid 7 and name HB1 )) 4.400 2.400 1.600 peak 509 weight 0.11000E+01 volume 0.17835E-02 ppm1 6.561 ppm2 1.646 CV 1 OR { 509} (( segid " " and resid 7 and name HH21)) (( segid " " and resid 7 and name HB1 )) ASSI { 511} ( segid " " and resid 5 and name HE% ) (( segid " " and resid 3 and name HB2 )) 3.300 1.400 1.400 peak 511 weight 0.11000E+01 volume 0.32044E-02 ppm1 6.711 ppm2 1.483 CV 1 OR { 511} ( segid " " and resid 5 and name HE% ) (( segid " " and resid 3 and name HB1 )) ASSI { 512} (( segid " " and resid 7 and name HH11)) (( segid " " and resid 7 and name HG1 )) 3.900 1.900 1.900 peak 512 weight 0.11000E+01 volume 0.30983E-02 ppm1 6.561 ppm2 1.416 CV 1 OR { 512} (( segid " " and resid 7 and name HH11)) (( segid " " and resid 7 and name HG2 )) OR { 512} (( segid " " and resid 7 and name HH12)) (( segid " " and resid 7 and name HG1 )) OR { 512} (( segid " " and resid 7 and name HH12)) (( segid " " and resid 7 and name HG2 )) OR { 512} (( segid " " and resid 7 and name HH21)) (( segid " " and resid 7 and name HG2 )) ASSI { 513} (( segid " " and resid 7 and name HH21)) (( segid " " and resid 12 and name HG2 )) 3.500 1.600 1.600 peak 513 weight 0.11000E+01 volume 0.19449E-02 ppm1 6.562 ppm2 1.337 CV 1 OR { 513} (( segid " " and resid 7 and name HH21)) (( segid " " and resid 12 and name HG1 )) OR { 513} (( segid " " and resid 7 and name HH11)) (( segid " " and resid 12 and name HG2 )) OR { 513} (( segid " " and resid 7 and name HH12)) (( segid " " and resid 12 and name HG2 )) OR { 513} (( segid " " and resid 7 and name HH11)) (( segid " " and resid 12 and name HG1 )) ASSI { 514} ( segid " " and resid 5 and name HE% ) ( segid " " and resid 3 and name HD1%) 2.800 2.800 3.200 peak 514 weight 0.11000E+01 volume 0.20349E-02 ppm1 6.707 ppm2 0.846 CV 1 OR { 514} ( segid " " and resid 5 and name HE% ) ( segid " " and resid 3 and name HD2%) ASSI { 515} ( segid " " and resid 5 and name HD% ) ( segid " " and resid 3 and name HD1%) 3.500 3.500 2.500 peak 515 weight 0.11000E+01 volume 0.51360E-03 ppm1 7.031 ppm2 0.872 CV 1 OR { 515} ( segid " " and resid 5 and name HD% ) ( segid " " and resid 3 and name HD2%) ASSI { 516} (( segid " " and resid 6 and name HA )) (( segid " " and resid 26 and name HB2 )) 5.600 3.900 0.400 peak 516 weight 0.11000E+01 volume 0.55104E-03 ppm1 5.632 ppm2 1.645 CV 1 OR { 516} (( segid " " and resid 6 and name HA )) (( segid " " and resid 26 and name HB1 )) ASSI { 517} (( segid " " and resid 29 and name HA )) (( segid " " and resid 30 and name HG2 )) 5.700 4.100 0.300 peak 517 weight 0.11000E+01 volume 0.10008E-02 ppm1 5.332 ppm2 2.160 CV 1 ASSI { 518} (( segid " " and resid 29 and name HA )) (( segid " " and resid 30 and name HG1 )) 5.400 3.700 0.600 peak 518 weight 0.11000E+01 volume 0.11460E-02 ppm1 5.329 ppm2 2.253 CV 1 ASSI { 519} (( segid " " and resid 6 and name HA )) (( segid " " and resid 27 and name HB1 )) 6.000 6.000 0.000 peak 519 weight 0.11000E+01 volume 0.17308E-03 ppm1 5.639 ppm2 2.256 CV 1 ASSI { 527} (( segid " " and resid 23 and name HA )) ( segid " " and resid 23 and name HD1%) 3.200 1.300 1.300 peak 527 weight 0.11000E+01 volume 0.11203E-01 ppm1 4.058 ppm2 0.917 CV 1 ASSI { 528} (( segid " " and resid 9 and name HA2 )) (( segid " " and resid 8 and name HG2 )) 4.100 2.100 1.900 peak 528 weight 0.11000E+01 volume 0.15533E-02 ppm1 4.240 ppm2 0.977 CV 1 OR { 528} (( segid " " and resid 9 and name HA2 )) (( segid " " and resid 8 and name HG1 )) ASSI { 529} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HG11)) 3.300 1.300 1.300 peak 529 weight 0.11000E+01 volume 0.55169E-02 ppm1 4.057 ppm2 1.186 CV 1 ASSI { 530} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HG1 )) 2.700 0.900 0.900 peak 530 weight 0.11000E+01 volume 0.58626E-02 ppm1 3.760 ppm2 0.980 CV 1 OR { 530} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HG2 )) ASSI { 532} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HB2 )) 2.500 0.800 0.800 peak 532 weight 0.11000E+01 volume 0.76177E-02 ppm1 3.766 ppm2 1.565 CV 1 OR { 532} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HB1 )) ASSI { 533} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HG1 )) 3.400 1.400 1.400 peak 533 weight 0.11000E+01 volume 0.86897E-02 ppm1 4.020 ppm2 1.526 CV 1 OR { 533} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HG2 )) ASSI { 534} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HG12)) 2.900 1.000 1.000 peak 534 weight 0.11000E+01 volume 0.65092E-02 ppm1 4.057 ppm2 1.485 CV 1 ASSI { 535} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HG1 )) 3.000 1.100 1.100 peak 535 weight 0.11000E+01 volume 0.84275E-02 ppm1 4.118 ppm2 1.571 CV 1 OR { 535} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HG2 )) ASSI { 537} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HB1 )) 2.600 0.800 0.800 peak 537 weight 0.11000E+01 volume 0.12327E-01 ppm1 4.266 ppm2 1.475 CV 1 OR { 537} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HB2 )) OR { 537} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HG )) ASSI { 538} ( segid " " and resid 17 and name HG1%) (( segid " " and resid 17 and name HB )) 2.500 0.800 0.800 peak 538 weight 0.11000E+01 volume 0.15815E-01 ppm1 1.205 ppm2 2.156 CV 1 ASSI { 539} (( segid " " and resid 2 and name HA )) (( segid " " and resid 2 and name HB1 )) 2.800 1.000 1.000 peak 539 weight 0.11000E+01 volume 0.66185E-02 ppm1 4.352 ppm2 1.573 CV 1 OR { 539} (( segid " " and resid 2 and name HA )) (( segid " " and resid 2 and name HB2 )) ASSI { 540} (( segid " " and resid 17 and name HA )) (( segid " " and resid 26 and name HB2 )) 3.700 1.700 1.700 peak 540 weight 0.11000E+01 volume 0.23375E-02 ppm1 4.287 ppm2 1.627 CV 1 OR { 540} (( segid " " and resid 17 and name HA )) (( segid " " and resid 26 and name HB1 )) ASSI { 541} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB1 )) 3.100 1.200 1.200 peak 541 weight 0.11000E+01 volume 0.45477E-02 ppm1 4.179 ppm2 1.718 CV 1 ASSI { 542} (( segid " " and resid 19 and name HA1 )) (( segid " " and resid 18 and name HG1 )) 2.500 2.500 3.500 peak 542 weight 0.11000E+01 volume 0.41367E-02 ppm1 4.089 ppm2 1.617 CV 1 ASSI { 543} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB1 )) 3.000 1.100 1.100 peak 543 weight 0.11000E+01 volume 0.65521E-02 ppm1 4.111 ppm2 1.697 CV 1 ASSI { 544} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB1 )) 2.500 0.800 0.800 peak 544 weight 0.11000E+01 volume 0.96891E-02 ppm1 4.088 ppm2 1.742 CV 1 ASSI { 545} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB2 )) 2.600 0.800 0.800 peak 545 weight 0.11000E+01 volume 0.11423E-01 ppm1 4.118 ppm2 1.809 CV 1 ASSI { 546} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB2 )) 3.200 1.300 1.300 peak 546 weight 0.11000E+01 volume 0.41481E-02 ppm1 4.177 ppm2 1.847 CV 1 ASSI { 547} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB2 )) 2.600 0.800 0.800 peak 547 weight 0.11000E+01 volume 0.12848E-01 ppm1 4.090 ppm2 1.836 CV 1 ASSI { 548} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB )) 2.900 1.000 1.000 peak 548 weight 0.11000E+01 volume 0.82346E-02 ppm1 4.062 ppm2 1.878 CV 1 ASSI { 549} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB2 )) 2.500 0.800 0.800 peak 549 weight 0.11000E+01 volume 0.12420E-01 ppm1 4.020 ppm2 1.843 CV 1 OR { 549} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB1 )) ASSI { 550} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name HB1 )) 4.800 2.800 1.200 peak 550 weight 0.11000E+01 volume 0.14553E-02 ppm1 3.990 ppm2 2.032 CV 1 ASSI { 551} (( segid " " and resid 1 and name HA1 )) (( segid " " and resid 2 and name HB2 )) 5.100 3.300 0.900 peak 551 weight 0.11000E+01 volume 0.10801E-02 ppm1 3.843 ppm2 1.586 CV 1 OR { 551} (( segid " " and resid 1 and name HA2 )) (( segid " " and resid 2 and name HB2 )) OR { 551} (( segid " " and resid 1 and name HA1 )) (( segid " " and resid 2 and name HB1 )) OR { 551} (( segid " " and resid 1 and name HA2 )) (( segid " " and resid 2 and name HB1 )) OR { 551} (( segid " " and resid 1 and name HA1 )) (( segid " " and resid 2 and name HG )) ASSI { 552} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 30 and name HB1 )) 3.500 1.600 1.600 peak 552 weight 0.11000E+01 volume 0.39522E-02 ppm1 3.738 ppm2 2.040 CV 1 ASSI { 553} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB )) 3.100 1.200 1.200 peak 553 weight 0.11000E+01 volume 0.44140E-02 ppm1 4.299 ppm2 2.164 CV 1 ASSI { 554} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name HG2 )) 2.600 0.800 0.800 peak 554 weight 0.11000E+01 volume 0.51555E-02 ppm1 3.990 ppm2 2.155 CV 1 ASSI { 555} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name HG1 )) 3.000 1.100 1.100 peak 555 weight 0.11000E+01 volume 0.78310E-02 ppm1 3.993 ppm2 2.254 CV 1 ASSI { 558} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HB2 )) 5.600 4.000 0.400 peak 558 weight 0.11000E+01 volume 0.80916E-03 ppm1 4.274 ppm2 2.726 CV 1 ASSI { 559} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HD1 )) 4.700 2.800 1.300 peak 559 weight 0.11000E+01 volume 0.11916E-02 ppm1 4.181 ppm2 3.196 CV 1 OR { 559} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HD2 )) ASSI { 560} (( segid " " and resid 22 and name HA2 )) (( segid " " and resid 22 and name HA1 )) 1.400 0.200 0.800 peak 560 weight 0.11000E+01 volume 0.88919E-01 ppm1 3.984 ppm2 3.767 CV 1 ASSI { 563} (( segid " " and resid 19 and name HA1 )) (( segid " " and resid 19 and name HA2 )) 1.600 0.300 0.600 peak 563 weight 0.11000E+01 volume 0.55303E-01 ppm1 4.079 ppm2 4.518 CV 1 ASSI { 564} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 30 and name HA )) 4.200 2.200 1.800 peak 564 weight 0.11000E+01 volume 0.10902E-02 ppm1 3.739 ppm2 4.641 CV 1 ASSI { 565} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name HA )) 4.700 2.700 1.300 peak 565 weight 0.11000E+01 volume 0.95822E-03 ppm1 3.991 ppm2 4.643 CV 1 ASSI { 566} (( segid " " and resid 31 and name HA )) (( segid " " and resid 30 and name HA )) 6.000 4.500 0.000 peak 566 weight 0.11000E+01 volume 0.34863E-03 ppm1 4.118 ppm2 4.643 CV 1 ASSI { 567} (( segid " " and resid 17 and name HA )) (( segid " " and resid 26 and name HA )) 4.300 2.300 1.700 peak 567 weight 0.11000E+01 volume 0.12984E-02 ppm1 4.287 ppm2 4.735 CV 1 ASSI { 568} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 4 and name HA )) 4.200 2.200 1.800 peak 568 weight 0.11000E+01 volume 0.14106E-02 ppm1 3.095 ppm2 5.017 CV 1 ASSI { 571} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 4 and name HA )) 3.400 1.400 1.400 peak 571 weight 0.11000E+01 volume 0.29491E-02 ppm1 3.989 ppm2 5.010 CV 1 ASSI { 572} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HA )) 2.600 0.800 0.800 peak 572 weight 0.11000E+01 volume 0.91615E-02 ppm1 3.727 ppm2 5.018 CV 1 ASSI { 573} (( segid " " and resid 8 and name HA )) (( segid " " and resid 25 and name HA )) 2.600 0.900 0.900 peak 573 weight 0.11000E+01 volume 0.43529E-02 ppm1 3.757 ppm2 5.096 CV 1 ASSI { 579} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HA )) 2.800 1.000 1.000 peak 579 weight 0.11000E+01 volume 0.45772E-02 ppm1 2.950 ppm2 5.085 CV 1 ASSI { 581} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 25 and name HA )) 2.400 0.700 0.700 peak 581 weight 0.11000E+01 volume 0.84409E-02 ppm1 3.031 ppm2 5.088 CV 1 ASSI { 582} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 28 and name HA )) 2.900 1.000 1.000 peak 582 weight 0.11000E+01 volume 0.73078E-02 ppm1 3.198 ppm2 5.088 CV 1 ASSI { 583} (( segid " " and resid 7 and name HD1 )) (( segid " " and resid 11 and name HA )) 2.500 0.800 0.800 peak 583 weight 0.11000E+01 volume 0.13941E-01 ppm1 3.230 ppm2 5.021 CV 1 OR { 583} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 11 and name HA )) ASSI { 584} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 21 and name HA )) 2.400 0.700 0.700 peak 584 weight 0.11000E+01 volume 0.12246E-01 ppm1 3.221 ppm2 4.901 CV 1 ASSI { 585} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 21 and name HA )) 3.000 1.100 1.100 peak 585 weight 0.11000E+01 volume 0.97867E-02 ppm1 3.299 ppm2 4.899 CV 1 ASSI { 586} (( segid " " and resid 18 and name HD2 )) (( segid " " and resid 18 and name HA )) 3.900 1.900 1.900 peak 586 weight 0.11000E+01 volume 0.56462E-02 ppm1 3.237 ppm2 4.747 CV 1 OR { 586} (( segid " " and resid 18 and name HD1 )) (( segid " " and resid 18 and name HA )) ASSI { 587} (( segid " " and resid 16 and name HD1 )) (( segid " " and resid 16 and name HA )) 4.100 2.100 1.900 peak 587 weight 0.11000E+01 volume 0.23848E-02 ppm1 3.181 ppm2 4.730 CV 1 OR { 587} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 16 and name HA )) ASSI { 588} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HA )) 2.700 0.900 0.900 peak 588 weight 0.11000E+01 volume 0.10254E-01 ppm1 3.376 ppm2 4.631 CV 1 ASSI { 589} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HA )) 2.700 0.900 0.900 peak 589 weight 0.11000E+01 volume 0.92342E-02 ppm1 3.115 ppm2 4.639 CV 1 ASSI { 590} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HA )) 2.500 0.800 0.800 peak 590 weight 0.11000E+01 volume 0.10406E-01 ppm1 2.933 ppm2 4.588 CV 1 ASSI { 591} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 5 and name HA )) 5.700 4.000 0.300 peak 591 weight 0.11000E+01 volume 0.94268E-03 ppm1 3.047 ppm2 4.588 CV 1 ASSI { 593} (( segid " " and resid 31 and name HD2 )) (( segid " " and resid 31 and name HA )) 4.400 2.400 1.600 peak 593 weight 0.11000E+01 volume 0.24703E-02 ppm1 3.177 ppm2 4.122 CV 1 OR { 593} (( segid " " and resid 31 and name HD1 )) (( segid " " and resid 31 and name HA )) ASSI { 594} (( segid " " and resid 13 and name HD2 )) (( segid " " and resid 13 and name HA )) 4.900 3.000 1.100 peak 594 weight 0.11000E+01 volume 0.12056E-02 ppm1 3.219 ppm2 4.084 CV 1 OR { 594} (( segid " " and resid 13 and name HD1 )) (( segid " " and resid 13 and name HA )) ASSI { 595} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 30 and name HD2 )) 4.300 2.300 1.700 peak 595 weight 0.11000E+01 volume 0.25565E-02 ppm1 3.097 ppm2 3.987 CV 1 ASSI { 596} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 22 and name HA2 )) 6.000 5.700 0.000 peak 596 weight 0.11000E+01 volume 0.71950E-03 ppm1 3.024 ppm2 3.990 CV 1 ASSI { 597} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 11 and name HB2 )) 3.400 1.400 1.400 peak 597 weight 0.11000E+01 volume 0.13419E-02 ppm1 2.941 ppm2 3.726 CV 1 ASSI { 600} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 21 and name HB2 )) 1.300 0.200 0.900 peak 600 weight 0.11000E+01 volume 0.10031E+00 ppm1 3.301 ppm2 3.217 CV 1 ASSI { 601} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HB1 )) 1.700 0.300 0.500 peak 601 weight 0.11000E+01 volume 0.43232E-01 ppm1 3.127 ppm2 3.375 CV 1 ASSI { 602} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 21 and name HB1 )) 2.600 0.800 0.800 peak 602 weight 0.11000E+01 volume 0.39403E-02 ppm1 3.034 ppm2 3.307 CV 1 ASSI { 604} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HB1 )) 1.600 0.300 0.600 peak 604 weight 0.11000E+01 volume 0.38247E-01 ppm1 2.947 ppm2 3.196 CV 1 ASSI { 605} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HB1 )) 1.600 0.300 0.600 peak 605 weight 0.11000E+01 volume 0.61280E-01 ppm1 2.946 ppm2 3.051 CV 1 ASSI { 607} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 25 and name HB1 )) 2.600 0.900 0.900 peak 607 weight 0.11000E+01 volume 0.45622E-02 ppm1 3.303 ppm2 3.039 CV 1 OR { 607} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 6 and name HB1 )) ASSI { 611} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 25 and name HB2 )) 4.100 2.100 1.900 peak 611 weight 0.11000E+01 volume 0.45624E-02 ppm1 3.228 ppm2 2.844 CV 1 ASSI { 614} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 27 and name HB1 )) 5.100 3.300 0.900 peak 614 weight 0.11000E+01 volume 0.30890E-02 ppm1 3.218 ppm2 2.255 CV 1 ASSI { 615} (( segid " " and resid 13 and name HD2 )) (( segid " " and resid 13 and name HB2 )) 2.800 1.000 1.000 peak 615 weight 0.11000E+01 volume 0.89716E-02 ppm1 3.209 ppm2 1.839 CV 1 OR { 615} (( segid " " and resid 13 and name HD1 )) (( segid " " and resid 13 and name HB2 )) ASSI { 616} (( segid " " and resid 32 and name HD1 )) (( segid " " and resid 32 and name HB2 )) 3.000 1.100 1.100 peak 616 weight 0.11000E+01 volume 0.62393E-02 ppm1 3.165 ppm2 1.812 CV 1 OR { 616} (( segid " " and resid 32 and name HD2 )) (( segid " " and resid 32 and name HB2 )) OR { 616} (( segid " " and resid 31 and name HD2 )) (( segid " " and resid 31 and name HB2 )) OR { 616} (( segid " " and resid 31 and name HD1 )) (( segid " " and resid 31 and name HB2 )) ASSI { 617} (( segid " " and resid 7 and name HD1 )) (( segid " " and resid 7 and name HB2 )) 2.300 0.700 0.700 peak 617 weight 0.11000E+01 volume 0.29339E-01 ppm1 3.217 ppm2 1.734 CV 1 OR { 617} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 7 and name HB2 )) OR { 617} (( segid " " and resid 13 and name HD2 )) (( segid " " and resid 13 and name HB1 )) OR { 617} (( segid " " and resid 13 and name HD1 )) (( segid " " and resid 13 and name HB1 )) ASSI { 618} (( segid " " and resid 32 and name HD1 )) (( segid " " and resid 32 and name HB1 )) 2.600 0.900 0.900 peak 618 weight 0.11000E+01 volume 0.17131E-01 ppm1 3.181 ppm2 1.713 CV 1 OR { 618} (( segid " " and resid 32 and name HD2 )) (( segid " " and resid 32 and name HB1 )) OR { 618} (( segid " " and resid 31 and name HD2 )) (( segid " " and resid 31 and name HB1 )) OR { 618} (( segid " " and resid 31 and name HD1 )) (( segid " " and resid 31 and name HB1 )) OR { 618} (( segid " " and resid 16 and name HD1 )) (( segid " " and resid 16 and name HB2 )) OR { 618} (( segid " " and resid 16 and name HD1 )) (( segid " " and resid 16 and name HB1 )) OR { 618} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 16 and name HB2 )) ASSI { 623} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 7 and name HG1 )) 3.000 1.100 1.100 peak 623 weight 0.11000E+01 volume 0.68097E-02 ppm1 2.938 ppm2 1.412 CV 1 OR { 623} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 7 and name HG2 )) ASSI { 624} (( segid " " and resid 7 and name HD1 )) (( segid " " and resid 7 and name HG1 )) 2.500 0.800 0.800 peak 624 weight 0.11000E+01 volume 0.10956E-01 ppm1 3.230 ppm2 1.414 CV 1 OR { 624} (( segid " " and resid 7 and name HD1 )) (( segid " " and resid 7 and name HG2 )) OR { 624} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 7 and name HG1 )) OR { 624} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 7 and name HG2 )) ASSI { 625} (( segid " " and resid 13 and name HD2 )) (( segid " " and resid 12 and name HG1 )) 2.600 0.800 0.800 peak 625 weight 0.11000E+01 volume 0.59069E-02 ppm1 3.229 ppm2 1.335 CV 1 OR { 625} (( segid " " and resid 13 and name HD1 )) (( segid " " and resid 12 and name HG1 )) ASSI { 626} (( segid " " and resid 9 and name HA1 )) (( segid " " and resid 8 and name HG2 )) 3.700 1.700 1.700 peak 626 weight 0.11000E+01 volume 0.10613E-02 ppm1 3.386 ppm2 0.982 CV 1 ASSI { 627} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 26 and name HD1%) 4.700 4.700 1.300 peak 627 weight 0.11000E+01 volume 0.16537E-02 ppm1 3.378 ppm2 0.808 CV 1 ASSI { 628} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 26 and name HD1%) 5.500 5.500 0.500 peak 628 weight 0.11000E+01 volume 0.72771E-03 ppm1 3.112 ppm2 0.809 CV 1 ASSI { 629} (( segid " " and resid 24 and name HD1 )) ( segid " " and resid 23 and name HG2%) 3.300 3.300 2.700 peak 629 weight 0.11000E+01 volume 0.83246E-03 ppm1 3.094 ppm2 0.879 CV 1 OR { 629} (( segid " " and resid 24 and name HD2 )) ( segid " " and resid 23 and name HG2%) ASSI { 630} (( segid " " and resid 8 and name HE2 )) (( segid " " and resid 8 and name HG2 )) 3.200 1.300 1.300 peak 630 weight 0.11000E+01 volume 0.47657E-02 ppm1 2.843 ppm2 0.980 CV 1 OR { 630} (( segid " " and resid 8 and name HE1 )) (( segid " " and resid 8 and name HG2 )) OR { 630} (( segid " " and resid 8 and name HE2 )) (( segid " " and resid 8 and name HG1 )) OR { 630} (( segid " " and resid 8 and name HE1 )) (( segid " " and resid 8 and name HG1 )) ASSI { 631} (( segid " " and resid 17 and name HB )) ( segid " " and resid 17 and name HG2%) 2.400 0.700 0.700 peak 631 weight 0.11000E+01 volume 0.17329E-01 ppm1 2.143 ppm2 1.134 CV 1 ASSI { 633} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 7 and name HG1 )) 3.300 1.400 1.400 peak 633 weight 0.11000E+01 volume 0.38078E-02 ppm1 2.390 ppm2 1.415 CV 1 OR { 633} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 7 and name HG2 )) ASSI { 634} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 12 and name HG2 )) 3.000 3.000 3.000 peak 634 weight 0.11000E+01 volume 0.13627E-02 ppm1 2.449 ppm2 1.347 CV 1 OR { 634} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 12 and name HG1 )) ASSI { 636} (( segid " " and resid 12 and name HE1 )) (( segid " " and resid 12 and name HG1 )) 3.200 1.300 1.300 peak 636 weight 0.11000E+01 volume 0.45828E-02 ppm1 2.858 ppm2 1.339 CV 1 OR { 636} (( segid " " and resid 12 and name HE2 )) (( segid " " and resid 12 and name HG1 )) OR { 636} (( segid " " and resid 12 and name HE1 )) (( segid " " and resid 12 and name HG2 )) OR { 636} (( segid " " and resid 12 and name HE2 )) (( segid " " and resid 12 and name HG2 )) ASSI { 637} (( segid " " and resid 12 and name HE2 )) (( segid " " and resid 12 and name HD1 )) 2.400 0.700 0.700 peak 637 weight 0.11000E+01 volume 0.19861E-01 ppm1 2.846 ppm2 1.541 CV 1 OR { 637} (( segid " " and resid 12 and name HE2 )) (( segid " " and resid 12 and name HD2 )) OR { 637} (( segid " " and resid 12 and name HE1 )) (( segid " " and resid 12 and name HD1 )) OR { 637} (( segid " " and resid 12 and name HE1 )) (( segid " " and resid 12 and name HD2 )) OR { 637} (( segid " " and resid 8 and name HE1 )) (( segid " " and resid 8 and name HB1 )) OR { 637} (( segid " " and resid 8 and name HE2 )) (( segid " " and resid 8 and name HB1 )) ASSI { 638} (( segid " " and resid 12 and name HE1 )) (( segid " " and resid 12 and name HB1 )) 4.600 2.600 1.400 peak 638 weight 0.11000E+01 volume 0.14136E-02 ppm1 2.846 ppm2 1.880 CV 1 OR { 638} (( segid " " and resid 12 and name HE1 )) (( segid " " and resid 12 and name HB2 )) OR { 638} (( segid " " and resid 12 and name HE2 )) (( segid " " and resid 12 and name HB1 )) OR { 638} (( segid " " and resid 12 and name HE2 )) (( segid " " and resid 12 and name HB2 )) ASSI { 639} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HB1 )) 1.500 0.300 0.700 peak 639 weight 0.11000E+01 volume 0.50125E-01 ppm1 2.729 ppm2 1.668 CV 1 ASSI { 640} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 15 and name HB2 )) 4.200 2.200 1.800 peak 640 weight 0.11000E+01 volume 0.47949E-02 ppm1 2.652 ppm2 1.595 CV 1 ASSI { 641} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 15 and name HB2 )) 2.200 2.200 3.800 peak 641 weight 0.11000E+01 volume 0.37383E-01 ppm1 2.455 ppm2 1.594 CV 1 ASSI { 642} (( segid " " and resid 18 and name HB1 )) (( segid " " and resid 18 and name HG1 )) 2.000 0.500 0.500 peak 642 weight 0.11000E+01 volume 0.49894E-01 ppm1 2.197 ppm2 1.628 CV 1 OR { 642} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 18 and name HG1 )) ASSI { 644} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 15 and name HB1 )) 2.700 0.900 0.900 peak 644 weight 0.11000E+01 volume 0.11041E-01 ppm1 2.454 ppm2 1.858 CV 1 ASSI { 646} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 30 and name HB1 )) 2.200 0.600 0.600 peak 646 weight 0.11000E+01 volume 0.13789E-01 ppm1 2.248 ppm2 2.042 CV 1 ASSI { 647} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HB1 )) 2.600 0.800 0.800 peak 647 weight 0.11000E+01 volume 0.21587E-01 ppm1 2.150 ppm2 2.033 CV 1 ASSI { 648} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 30 and name HG2 )) 1.400 0.200 0.800 peak 648 weight 0.11000E+01 volume 0.71070E-01 ppm1 2.249 ppm2 2.159 CV 1 ASSI { 650} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HG1 )) 2.900 1.000 1.000 peak 650 weight 0.11000E+01 volume 0.94930E-02 ppm1 2.479 ppm2 2.254 CV 1 ASSI { 651} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HG2 )) 2.600 0.800 0.800 peak 651 weight 0.11000E+01 volume 0.58699E-02 ppm1 2.483 ppm2 2.162 CV 1 ASSI { 652} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HB1 )) 1.500 0.300 0.700 peak 652 weight 0.11000E+01 volume 0.46190E-01 ppm1 2.489 ppm2 2.033 CV 1 ASSI { 653} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 15 and name HG1 )) 2.200 0.600 0.600 peak 653 weight 0.11000E+01 volume 0.10299E-01 ppm1 2.652 ppm2 2.447 CV 1 ASSI { 660} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HB1 )) 1.400 0.200 0.800 peak 660 weight 0.11000E+01 volume 0.45022E-01 ppm1 2.850 ppm2 3.033 CV 1 ASSI { 664} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 18 and name HD2 )) 3.800 1.800 1.800 peak 664 weight 0.11000E+01 volume 0.16789E-02 ppm1 2.198 ppm2 3.248 CV 1 OR { 664} (( segid " " and resid 18 and name HB1 )) (( segid " " and resid 18 and name HD2 )) OR { 664} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 18 and name HD1 )) OR { 664} (( segid " " and resid 18 and name HB1 )) (( segid " " and resid 18 and name HD1 )) ASSI { 666} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 11 and name HB2 )) 2.700 0.900 0.900 peak 666 weight 0.11000E+01 volume 0.19237E-01 ppm1 2.453 ppm2 3.727 CV 1 OR { 666} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HD1 )) ASSI { 667} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 30 and name HD1 )) 2.500 0.800 0.800 peak 667 weight 0.11000E+01 volume 0.54221E-02 ppm1 2.250 ppm2 3.739 CV 1 ASSI { 671} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HD2 )) 3.900 1.900 1.900 peak 671 weight 0.11000E+01 volume 0.31508E-02 ppm1 2.486 ppm2 3.988 CV 1 ASSI { 673} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 19 and name HA1 )) 4.500 2.600 1.500 peak 673 weight 0.11000E+01 volume 0.57387E-03 ppm1 2.740 ppm2 4.080 CV 1 ASSI { 674} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 17 and name HA )) 4.200 2.200 1.800 peak 674 weight 0.11000E+01 volume 0.72577E-03 ppm1 2.737 ppm2 4.270 CV 1 ASSI { 676} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 19 and name HA1 )) 4.900 3.000 1.100 peak 676 weight 0.11000E+01 volume 0.71751E-03 ppm1 2.259 ppm2 4.077 CV 1 ASSI { 677} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 19 and name HA2 )) 4.400 2.500 1.600 peak 677 weight 0.11000E+01 volume 0.19966E-02 ppm1 2.751 ppm2 4.522 CV 1 ASSI { 678} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HA )) 5.000 3.100 1.000 peak 678 weight 0.11000E+01 volume 0.11087E-02 ppm1 2.160 ppm2 4.646 CV 1 ASSI { 679} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 18 and name HA )) 2.800 1.000 1.000 peak 679 weight 0.11000E+01 volume 0.65580E-02 ppm1 2.193 ppm2 4.752 CV 1 OR { 679} (( segid " " and resid 18 and name HB1 )) (( segid " " and resid 18 and name HA )) ASSI { 680} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 30 and name HA )) 4.300 2.300 1.700 peak 680 weight 0.11000E+01 volume 0.19886E-02 ppm1 2.256 ppm2 4.645 CV 1 ASSI { 681} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 19 and name HA2 )) 5.300 3.500 0.700 peak 681 weight 0.11000E+01 volume 0.14278E-02 ppm1 2.253 ppm2 4.516 CV 1 ASSI { 682} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 15 and name HA )) 3.000 1.200 1.200 peak 682 weight 0.11000E+01 volume 0.34866E-02 ppm1 2.445 ppm2 4.766 CV 1 ASSI { 683} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HA )) 3.400 1.500 1.500 peak 683 weight 0.11000E+01 volume 0.43595E-02 ppm1 2.387 ppm2 4.588 CV 1 ASSI { 684} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HA )) 2.800 1.000 1.000 peak 684 weight 0.11000E+01 volume 0.11563E-01 ppm1 2.483 ppm2 4.643 CV 1 ASSI { 685} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 10 and name HA )) 5.400 3.600 0.600 peak 685 weight 0.11000E+01 volume 0.99050E-03 ppm1 2.651 ppm2 4.634 CV 1 ASSI { 686} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 26 and name HA )) 4.400 2.400 1.600 peak 686 weight 0.11000E+01 volume 0.11820E-02 ppm1 2.750 ppm2 4.732 CV 1 ASSI { 688} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HA )) 3.000 1.100 1.100 peak 688 weight 0.11000E+01 volume 0.73505E-02 ppm1 2.729 ppm2 5.003 CV 1 ASSI { 689} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HA )) 3.100 1.200 1.200 peak 689 weight 0.11000E+01 volume 0.45483E-02 ppm1 2.652 ppm2 5.021 CV 1 ASSI { 690} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 20 and name HA )) 3.600 1.600 1.600 peak 690 weight 0.11000E+01 volume 0.95800E-03 ppm1 2.751 ppm2 5.084 CV 1 ASSI { 691} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HA )) 3.200 1.300 1.300 peak 691 weight 0.11000E+01 volume 0.42899E-02 ppm1 2.852 ppm2 5.089 CV 1 ASSI { 692} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 28 and name HA )) 5.900 4.300 0.100 peak 692 weight 0.11000E+01 volume 0.82444E-03 ppm1 2.474 ppm2 5.083 CV 1 ASSI { 693} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 11 and name HA )) 4.500 2.600 1.500 peak 693 weight 0.11000E+01 volume 0.17023E-02 ppm1 2.442 ppm2 5.020 CV 1 ASSI { 694} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HA )) 2.800 1.000 1.000 peak 694 weight 0.11000E+01 volume 0.64815E-02 ppm1 2.259 ppm2 4.997 CV 1 ASSI { 695} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 20 and name HA )) 4.800 2.900 1.200 peak 695 weight 0.11000E+01 volume 0.14212E-02 ppm1 2.257 ppm2 5.087 CV 1 ASSI { 696} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 21 and name HA )) 6.000 6.000 0.000 peak 696 weight 0.11000E+01 volume 0.60031E-03 ppm1 2.257 ppm2 4.902 CV 1 ASSI { 697} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 26 and name HA )) 5.300 3.500 0.700 peak 697 weight 0.11000E+01 volume 0.15242E-02 ppm1 2.254 ppm2 4.733 CV 1 ASSI { 698} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 29 and name HA )) 5.300 3.500 0.700 peak 698 weight 0.11000E+01 volume 0.11633E-02 ppm1 2.716 ppm2 5.323 CV 1 ASSI { 703} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 6 and name HA )) 5.300 3.600 0.700 peak 703 weight 0.11000E+01 volume 0.56953E-03 ppm1 1.422 ppm2 5.636 CV 1 OR { 703} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 6 and name HA )) ASSI { 705} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 25 and name HA )) 3.500 1.600 1.600 peak 705 weight 0.11000E+01 volume 0.48492E-02 ppm1 1.639 ppm2 5.088 CV 1 OR { 705} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 25 and name HA )) ASSI { 706} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HA )) 2.300 0.600 0.600 peak 706 weight 0.11000E+01 volume 0.11737E-01 ppm1 1.668 ppm2 5.010 CV 1 ASSI { 707} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 11 and name HA )) 3.200 1.300 1.300 peak 707 weight 0.11000E+01 volume 0.49570E-02 ppm1 1.736 ppm2 5.018 CV 1 ASSI { 708} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 11 and name HA )) 4.300 2.300 1.700 peak 708 weight 0.11000E+01 volume 0.12533E-02 ppm1 1.414 ppm2 5.020 CV 1 OR { 708} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 11 and name HA )) ASSI { 709} (( segid " " and resid 26 and name HG )) (( segid " " and resid 25 and name HA )) 4.600 2.600 1.400 peak 709 weight 0.11000E+01 volume 0.12831E-02 ppm1 1.391 ppm2 5.089 CV 1 ASSI { 710} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 11 and name HA )) 5.000 3.200 1.000 peak 710 weight 0.11000E+01 volume 0.13236E-02 ppm1 1.340 ppm2 5.022 CV 1 OR { 710} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 11 and name HA )) ASSI { 711} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HA )) 3.300 1.300 1.300 peak 711 weight 0.11000E+01 volume 0.32402E-02 ppm1 1.422 ppm2 4.834 CV 1 OR { 711} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 7 and name HA )) ASSI { 712} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HA )) 2.500 0.800 0.800 peak 712 weight 0.11000E+01 volume 0.11155E-01 ppm1 1.642 ppm2 4.835 CV 1 ASSI { 713} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HA )) 2.700 0.900 0.900 peak 713 weight 0.11000E+01 volume 0.14283E-01 ppm1 1.733 ppm2 4.836 CV 1 ASSI { 714} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HA )) 2.400 0.700 0.700 peak 714 weight 0.11000E+01 volume 0.17081E-01 ppm1 1.712 ppm2 4.728 CV 1 OR { 714} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HA )) ASSI { 715} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HA )) 2.300 0.600 0.600 peak 715 weight 0.11000E+01 volume 0.17089E-01 ppm1 1.637 ppm2 4.737 CV 1 OR { 715} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HA )) ASSI { 716} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 16 and name HA )) 2.900 1.100 1.100 peak 716 weight 0.11000E+01 volume 0.82517E-02 ppm1 1.556 ppm2 4.729 CV 1 OR { 716} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HA )) ASSI { 717} (( segid " " and resid 26 and name HG )) (( segid " " and resid 26 and name HA )) 3.100 1.200 1.200 peak 717 weight 0.11000E+01 volume 0.86685E-02 ppm1 1.390 ppm2 4.729 CV 1 ASSI { 718} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 15 and name HA )) 3.100 1.200 1.200 peak 718 weight 0.11000E+01 volume 0.19594E-02 ppm1 1.865 ppm2 4.761 CV 1 ASSI { 719} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 15 and name HA )) 4.000 2.000 2.000 peak 719 weight 0.11000E+01 volume 0.20138E-02 ppm1 2.036 ppm2 4.764 CV 1 ASSI { 720} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HA )) 2.600 0.800 0.800 peak 720 weight 0.11000E+01 volume 0.60978E-02 ppm1 2.033 ppm2 4.644 CV 1 ASSI { 722} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 30 and name HA )) 5.500 3.700 0.500 peak 722 weight 0.11000E+01 volume 0.81313E-03 ppm1 1.693 ppm2 4.640 CV 1 ASSI { 723} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 10 and name HA )) 4.600 2.600 1.400 peak 723 weight 0.11000E+01 volume 0.23856E-02 ppm1 1.590 ppm2 4.643 CV 1 ASSI { 724} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HA )) 3.000 1.100 1.100 peak 724 weight 0.11000E+01 volume 0.16294E-01 ppm1 1.339 ppm2 4.386 CV 1 OR { 724} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HA )) ASSI { 726} (( segid " " and resid 26 and name HG )) (( segid " " and resid 17 and name HA )) 5.100 3.300 0.900 peak 726 weight 0.11000E+01 volume 0.67850E-03 ppm1 1.389 ppm2 4.292 CV 1 ASSI { 727} (( segid " " and resid 2 and name HB1 )) (( segid " " and resid 2 and name HA )) 3.100 1.200 1.200 peak 727 weight 0.11000E+01 volume 0.46316E-02 ppm1 1.540 ppm2 4.364 CV 1 OR { 727} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 2 and name HA )) OR { 727} (( segid " " and resid 2 and name HG )) (( segid " " and resid 2 and name HA )) ASSI { 729} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 17 and name HA )) 4.000 2.000 2.000 peak 729 weight 0.11000E+01 volume 0.26738E-02 ppm1 1.636 ppm2 4.281 CV 1 ASSI { 730} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 12 and name HA )) 3.200 3.200 2.800 peak 730 weight 0.11000E+01 volume 0.94250E-03 ppm1 1.744 ppm2 4.383 CV 1 ASSI { 731} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HA )) 2.600 0.900 0.900 peak 731 weight 0.11000E+01 volume 0.95342E-02 ppm1 1.898 ppm2 4.387 CV 1 OR { 731} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HA )) ASSI { 732} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 12 and name HA )) 3.200 3.200 2.800 peak 732 weight 0.11000E+01 volume 0.90701E-03 ppm1 1.829 ppm2 4.387 CV 1 ASSI { 735} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 32 and name HA )) 3.600 1.600 1.600 peak 735 weight 0.11000E+01 volume 0.25035E-02 ppm1 1.578 ppm2 4.177 CV 1 OR { 735} (( segid " " and resid 32 and name HG2 )) (( segid " " and resid 32 and name HA )) ASSI { 738} (( segid " " and resid 24 and name HG1 )) (( segid " " and resid 24 and name HA )) 3.300 1.400 1.400 peak 738 weight 0.11000E+01 volume 0.91540E-02 ppm1 1.540 ppm2 4.013 CV 1 OR { 738} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 24 and name HA )) ASSI { 743} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HA )) 2.500 0.800 0.800 peak 743 weight 0.11000E+01 volume 0.14230E-01 ppm1 1.853 ppm2 4.016 CV 1 OR { 743} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 24 and name HA )) OR { 743} (( segid " " and resid 23 and name HB )) (( segid " " and resid 23 and name HA )) ASSI { 744} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 11 and name HB2 )) 4.700 2.700 1.300 peak 744 weight 0.11000E+01 volume 0.15830E-02 ppm1 1.866 ppm2 3.731 CV 1 ASSI { 745} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HA )) 2.500 0.800 0.800 peak 745 weight 0.11000E+01 volume 0.92808E-02 ppm1 1.593 ppm2 3.730 CV 1 OR { 745} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HA )) ASSI { 746} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 1 and name HA2 )) 3.400 1.400 1.400 peak 746 weight 0.11000E+01 volume 0.68466E-03 ppm1 1.572 ppm2 3.835 CV 1 OR { 746} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 1 and name HA1 )) OR { 746} (( segid " " and resid 2 and name HB1 )) (( segid " " and resid 1 and name HA2 )) ASSI { 747} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 11 and name HB2 )) 5.500 3.800 0.500 peak 747 weight 0.11000E+01 volume 0.82518E-03 ppm1 1.343 ppm2 3.726 CV 1 OR { 747} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 11 and name HB2 )) ASSI { 748} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 7 and name HD1 )) 3.400 1.500 1.500 peak 748 weight 0.11000E+01 volume 0.45653E-02 ppm1 1.339 ppm2 3.230 CV 1 OR { 748} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 7 and name HD2 )) OR { 748} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 7 and name HD1 )) OR { 748} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 7 and name HD2 )) ASSI { 749} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 7 and name HD1 )) 2.500 0.800 0.800 peak 749 weight 0.11000E+01 volume 0.10456E-01 ppm1 1.418 ppm2 3.228 CV 1 OR { 749} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HD1 )) OR { 749} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 7 and name HD2 )) OR { 749} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HD2 )) ASSI { 750} (( segid " " and resid 31 and name HG2 )) (( segid " " and resid 31 and name HD2 )) 2.100 0.600 0.600 peak 750 weight 0.11000E+01 volume 0.32091E-01 ppm1 1.570 ppm2 3.173 CV 1 OR { 750} (( segid " " and resid 31 and name HG1 )) (( segid " " and resid 31 and name HD2 )) OR { 750} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 32 and name HD1 )) OR { 750} (( segid " " and resid 31 and name HG2 )) (( segid " " and resid 31 and name HD1 )) OR { 750} (( segid " " and resid 32 and name HG2 )) (( segid " " and resid 32 and name HD1 )) OR { 750} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 32 and name HD2 )) OR { 750} (( segid " " and resid 31 and name HG1 )) (( segid " " and resid 31 and name HD1 )) ASSI { 751} (( segid " " and resid 18 and name HG1 )) (( segid " " and resid 18 and name HD1 )) 2.300 0.700 0.700 peak 751 weight 0.11000E+01 volume 0.22808E-01 ppm1 1.623 ppm2 3.218 CV 1 OR { 751} (( segid " " and resid 18 and name HG1 )) (( segid " " and resid 18 and name HD2 )) ASSI { 752} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HD1 )) 2.200 0.600 0.600 peak 752 weight 0.11000E+01 volume 0.39084E-01 ppm1 1.736 ppm2 3.221 CV 1 OR { 752} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HD2 )) OR { 752} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 13 and name HD2 )) OR { 752} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 13 and name HD1 )) OR { 752} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HD1 )) OR { 752} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HD1 )) OR { 752} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HD2 )) ASSI { 754} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HD2 )) 3.100 1.200 1.200 peak 754 weight 0.11000E+01 volume 0.59668E-02 ppm1 1.805 ppm2 3.167 CV 1 OR { 754} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HD1 )) ASSI { 755} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 29 and name HB2 )) 2.900 1.000 1.000 peak 755 weight 0.11000E+01 volume 0.44058E-02 ppm1 1.668 ppm2 3.097 CV 1 ASSI { 756} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 30 and name HD2 )) 5.100 3.300 0.900 peak 756 weight 0.11000E+01 volume 0.11901E-02 ppm1 1.668 ppm2 3.989 CV 1 ASSI { 757} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 28 and name HB2 )) 3.100 1.200 1.200 peak 757 weight 0.11000E+01 volume 0.58601E-02 ppm1 1.415 ppm2 2.935 CV 1 OR { 757} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 28 and name HB2 )) OR { 757} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 5 and name HB1 )) ASSI { 758} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HE1 )) 3.300 1.300 1.300 peak 758 weight 0.11000E+01 volume 0.38620E-02 ppm1 1.336 ppm2 2.849 CV 1 OR { 758} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HE2 )) OR { 758} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HE1 )) OR { 758} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HE2 )) ASSI { 759} (( segid " " and resid 24 and name HG1 )) (( segid " " and resid 8 and name HE2 )) 3.000 1.100 1.100 peak 759 weight 0.11000E+01 volume 0.78209E-02 ppm1 1.504 ppm2 2.839 CV 1 OR { 759} (( segid " " and resid 24 and name HG1 )) (( segid " " and resid 8 and name HE1 )) OR { 759} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 8 and name HE2 )) OR { 759} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 8 and name HE1 )) ASSI { 760} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HE2 )) 2.700 0.900 0.900 peak 760 weight 0.11000E+01 volume 0.10221E-01 ppm1 1.540 ppm2 2.860 CV 1 OR { 760} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HE2 )) OR { 760} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HE1 )) OR { 760} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HE1 )) OR { 760} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HE1 )) OR { 760} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HE1 )) ASSI { 762} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 28 and name HB2 )) 2.800 1.000 1.000 peak 762 weight 0.11000E+01 volume 0.48623E-02 ppm1 1.731 ppm2 2.935 CV 1 ASSI { 765} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HB2 )) 1.600 0.300 0.600 peak 765 weight 0.11000E+01 volume 0.35344E-01 ppm1 2.026 ppm2 2.483 CV 1 OR { 765} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 15 and name HG1 )) ASSI { 767} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 29 and name HB1 )) 3.600 1.600 1.600 peak 767 weight 0.11000E+01 volume 0.54732E-02 ppm1 1.690 ppm2 2.487 CV 1 ASSI { 769} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 5 and name HB2 )) 4.100 2.100 1.900 peak 769 weight 0.11000E+01 volume 0.17250E-02 ppm1 1.730 ppm2 2.394 CV 1 ASSI { 772} (( segid " " and resid 18 and name HG1 )) (( segid " " and resid 18 and name HB1 )) 2.100 0.600 0.600 peak 772 weight 0.11000E+01 volume 0.40115E-01 ppm1 1.624 ppm2 2.199 CV 1 OR { 772} (( segid " " and resid 18 and name HG1 )) (( segid " " and resid 18 and name HB2 )) ASSI { 773} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HG2 )) 3.100 1.200 1.200 peak 773 weight 0.11000E+01 volume 0.48861E-02 ppm1 1.587 ppm2 2.047 CV 1 ASSI { 776} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 15 and name HB1 )) 1.900 0.400 0.400 peak 776 weight 0.11000E+01 volume 0.42460E-01 ppm1 2.051 ppm2 1.855 CV 1 ASSI { 778} (( segid " " and resid 32 and name HG2 )) (( segid " " and resid 32 and name HB2 )) 2.200 0.600 0.600 peak 778 weight 0.11000E+01 volume 0.34876E-01 ppm1 1.580 ppm2 1.820 CV 1 OR { 778} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 32 and name HB2 )) OR { 778} (( segid " " and resid 31 and name HG2 )) (( segid " " and resid 31 and name HB2 )) OR { 778} (( segid " " and resid 31 and name HG1 )) (( segid " " and resid 31 and name HB2 )) OR { 778} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 13 and name HB2 )) ASSI { 779} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HB2 )) 1.800 0.400 0.400 peak 779 weight 0.11000E+01 volume 0.69410E-01 ppm1 1.341 ppm2 1.899 CV 1 OR { 779} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HB1 )) OR { 779} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HB2 )) OR { 779} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HB1 )) ASSI { 781} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 7 and name HB1 )) 1.900 0.400 0.400 peak 781 weight 0.11000E+01 volume 0.68144E-01 ppm1 1.400 ppm2 1.642 CV 1 OR { 781} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HB1 )) OR { 781} (( segid " " and resid 26 and name HG )) (( segid " " and resid 26 and name HB1 )) OR { 781} (( segid " " and resid 26 and name HG )) (( segid " " and resid 26 and name HB2 )) ASSI { 782} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HD1 )) 2.000 0.500 0.500 peak 782 weight 0.11000E+01 volume 0.41964E-01 ppm1 1.342 ppm2 1.542 CV 1 OR { 782} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HD2 )) OR { 782} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HD1 )) OR { 782} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HD2 )) ASSI { 783} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HG )) 1.900 0.500 0.500 peak 783 weight 0.11000E+01 volume 0.64807E-01 ppm1 1.633 ppm2 1.393 CV 1 OR { 783} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HG )) ASSI { 784} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HG1 )) 2.000 0.500 0.500 peak 784 weight 0.11000E+01 volume 0.37465E-01 ppm1 1.735 ppm2 1.417 CV 1 OR { 784} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HG2 )) ASSI { 786} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HG1 )) 2.400 0.700 0.700 peak 786 weight 0.11000E+01 volume 0.13218E-01 ppm1 1.880 ppm2 1.525 CV 1 OR { 786} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 24 and name HG1 )) OR { 786} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HG2 )) OR { 786} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 24 and name HG2 )) ASSI { 787} (( segid " " and resid 26 and name HB2 )) ( segid " " and resid 17 and name HG1%) 2.300 2.300 3.700 peak 787 weight 0.11000E+01 volume 0.71393E-02 ppm1 1.647 ppm2 1.214 CV 1 ASSI { 788} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HD1 )) 2.200 0.600 0.600 peak 788 weight 0.11000E+01 volume 0.29841E-01 ppm1 1.560 ppm2 1.255 CV 1 OR { 788} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HD2 )) OR { 788} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HD1 )) OR { 788} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HD2 )) ASSI { 790} (( segid " " and resid 23 and name HG12)) (( segid " " and resid 23 and name HG11)) 1.600 0.300 0.600 peak 790 weight 0.11000E+01 volume 0.33656E-01 ppm1 1.480 ppm2 1.185 CV 1 ASSI { 791} (( segid " " and resid 23 and name HB )) (( segid " " and resid 23 and name HG11)) 2.700 0.900 0.900 peak 791 weight 0.11000E+01 volume 0.44358E-02 ppm1 1.873 ppm2 1.199 CV 1 ASSI { 792} (( segid " " and resid 23 and name HB )) ( segid " " and resid 23 and name HD1%) 2.600 2.600 3.400 peak 792 weight 0.11000E+01 volume 0.18917E-01 ppm1 1.869 ppm2 0.916 CV 1 ASSI { 793} (( segid " " and resid 23 and name HB )) ( segid " " and resid 23 and name HG2%) 2.600 0.800 0.800 peak 793 weight 0.11000E+01 volume 0.83251E-02 ppm1 1.874 ppm2 0.860 CV 1 ASSI { 794} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HG2 )) 2.100 0.600 0.600 peak 794 weight 0.11000E+01 volume 0.27157E-01 ppm1 1.542 ppm2 0.990 CV 1 OR { 794} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HG1 )) OR { 794} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HG2 )) OR { 794} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HG1 )) ASSI { 795} (( segid " " and resid 2 and name HG )) ( segid " " and resid 2 and name HD1%) 2.600 0.800 0.800 peak 795 weight 0.11000E+01 volume 0.14704E-01 ppm1 1.550 ppm2 0.898 CV 1 OR { 795} (( segid " " and resid 2 and name HG )) ( segid " " and resid 2 and name HD2%) OR { 795} (( segid " " and resid 2 and name HB2 )) ( segid " " and resid 2 and name HD1%) OR { 795} (( segid " " and resid 2 and name HB1 )) ( segid " " and resid 2 and name HD1%) OR { 795} (( segid " " and resid 2 and name HB1 )) ( segid " " and resid 2 and name HD2%) ASSI { 796} (( segid " " and resid 3 and name HG )) ( segid " " and resid 3 and name HD1%) 2.300 0.700 0.700 peak 796 weight 0.11000E+01 volume 0.30021E-01 ppm1 1.479 ppm2 0.872 CV 1 OR { 796} (( segid " " and resid 3 and name HG )) ( segid " " and resid 3 and name HD2%) OR { 796} (( segid " " and resid 3 and name HB2 )) ( segid " " and resid 3 and name HD1%) OR { 796} (( segid " " and resid 3 and name HB1 )) ( segid " " and resid 3 and name HD2%) OR { 796} (( segid " " and resid 3 and name HB1 )) ( segid " " and resid 3 and name HD1%) ASSI { 797} (( segid " " and resid 26 and name HB2 )) ( segid " " and resid 26 and name HD1%) 2.300 0.700 0.700 peak 797 weight 0.11000E+01 volume 0.25241E-01 ppm1 1.652 ppm2 0.831 CV 1 OR { 797} (( segid " " and resid 26 and name HB1 )) ( segid " " and resid 26 and name HD1%) OR { 797} (( segid " " and resid 26 and name HB1 )) ( segid " " and resid 26 and name HD2%) OR { 797} (( segid " " and resid 26 and name HB2 )) ( segid " " and resid 26 and name HD2%) ASSI { 798} (( segid " " and resid 26 and name HG )) ( segid " " and resid 26 and name HD2%) 2.300 0.600 0.600 peak 798 weight 0.11000E+01 volume 0.20528E-01 ppm1 1.388 ppm2 0.850 CV 1 ASSI { 799} (( segid " " and resid 23 and name HG11)) ( segid " " and resid 23 and name HG2%) 2.700 2.700 3.300 peak 799 weight 0.11000E+01 volume 0.21110E-01 ppm1 1.194 ppm2 0.858 CV 1 ASSI { 800} (( segid " " and resid 8 and name HD1 )) (( segid " " and resid 8 and name HG2 )) 2.500 0.800 0.800 peak 800 weight 0.11000E+01 volume 0.97620E-02 ppm1 1.243 ppm2 0.988 CV 1 OR { 800} (( segid " " and resid 8 and name HD2 )) (( segid " " and resid 8 and name HG2 )) OR { 800} (( segid " " and resid 8 and name HD1 )) (( segid " " and resid 8 and name HG1 )) OR { 800} (( segid " " and resid 8 and name HD2 )) (( segid " " and resid 8 and name HG1 )) ASSI { 803} (( segid " " and resid 8 and name HG1 )) (( segid " " and resid 24 and name HG1 )) 2.200 0.600 0.600 peak 803 weight 0.11000E+01 volume 0.19300E-01 ppm1 0.974 ppm2 1.493 CV 1 OR { 803} (( segid " " and resid 8 and name HG2 )) (( segid " " and resid 24 and name HG1 )) OR { 803} (( segid " " and resid 8 and name HG1 )) (( segid " " and resid 24 and name HG2 )) ASSI { 804} (( segid " " and resid 8 and name HG2 )) (( segid " " and resid 8 and name HB1 )) 2.200 0.600 0.600 peak 804 weight 0.11000E+01 volume 0.21935E-01 ppm1 0.982 ppm2 1.549 CV 1 OR { 804} (( segid " " and resid 8 and name HG1 )) (( segid " " and resid 8 and name HB1 )) OR { 804} (( segid " " and resid 8 and name HG2 )) (( segid " " and resid 8 and name HB2 )) OR { 804} (( segid " " and resid 8 and name HG1 )) (( segid " " and resid 8 and name HB2 )) ASSI { 805} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HB2 )) 2.500 0.800 0.800 peak 805 weight 0.11000E+01 volume 0.16812E-01 ppm1 0.805 ppm2 1.635 CV 1 OR { 805} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HB1 )) ASSI { 809} (( segid " " and resid 8 and name HG2 )) (( segid " " and resid 8 and name HE2 )) 3.200 1.200 1.200 peak 809 weight 0.11000E+01 volume 0.49131E-02 ppm1 0.979 ppm2 2.840 CV 1 OR { 809} (( segid " " and resid 8 and name HG2 )) (( segid " " and resid 8 and name HE1 )) OR { 809} (( segid " " and resid 8 and name HG1 )) (( segid " " and resid 8 and name HE2 )) OR { 809} (( segid " " and resid 8 and name HG1 )) (( segid " " and resid 8 and name HE1 )) ASSI { 810} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 9 and name HA1 )) 2.700 2.700 3.300 peak 810 weight 0.11000E+01 volume 0.24711E-02 ppm1 0.812 ppm2 3.384 CV 1 OR { 810} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 10 and name HB1 )) ASSI { 811} (( segid " " and resid 8 and name HG2 )) (( segid " " and resid 9 and name HA1 )) 4.200 2.200 1.800 peak 811 weight 0.11000E+01 volume 0.11481E-02 ppm1 0.975 ppm2 3.386 CV 1 OR { 811} (( segid " " and resid 8 and name HG1 )) (( segid " " and resid 9 and name HA1 )) ASSI { 813} (( segid " " and resid 8 and name HD1 )) (( segid " " and resid 8 and name HA )) 3.900 1.900 1.900 peak 813 weight 0.11000E+01 volume 0.56422E-02 ppm1 1.259 ppm2 3.758 CV 1 OR { 813} (( segid " " and resid 8 and name HD2 )) (( segid " " and resid 8 and name HA )) ASSI { 814} ( segid " " and resid 20 and name HG2%) (( segid " " and resid 19 and name HA1 )) 4.700 2.800 1.300 peak 814 weight 0.11000E+01 volume 0.28635E-02 ppm1 1.237 ppm2 4.073 CV 1 ASSI { 816} ( segid " " and resid 17 and name HG2%) (( segid " " and resid 19 and name HA1 )) 5.300 5.300 0.700 peak 816 weight 0.11000E+01 volume 0.15029E-02 ppm1 1.142 ppm2 4.076 CV 1 ASSI { 818} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 23 and name HA )) 3.200 1.300 1.300 peak 818 weight 0.11000E+01 volume 0.40650E-02 ppm1 0.861 ppm2 4.059 CV 1 ASSI { 820} ( segid " " and resid 3 and name HD2%) (( segid " " and resid 3 and name HA )) 3.300 1.300 1.300 peak 820 weight 0.11000E+01 volume 0.87698E-02 ppm1 0.844 ppm2 4.275 CV 1 OR { 820} ( segid " " and resid 3 and name HD1%) (( segid " " and resid 3 and name HA )) ASSI { 821} ( segid " " and resid 2 and name HD2%) (( segid " " and resid 2 and name HA )) 3.500 1.500 1.500 peak 821 weight 0.11000E+01 volume 0.47129E-02 ppm1 0.886 ppm2 4.362 CV 1 OR { 821} ( segid " " and resid 2 and name HD1%) (( segid " " and resid 2 and name HA )) ASSI { 823} ( segid " " and resid 17 and name HG1%) (( segid " " and resid 17 and name HA )) 2.800 1.000 1.000 peak 823 weight 0.11000E+01 volume 0.92635E-02 ppm1 1.205 ppm2 4.288 CV 1 ASSI { 824} ( segid " " and resid 20 and name HG2%) (( segid " " and resid 20 and name HB )) 2.600 0.800 0.800 peak 824 weight 0.11000E+01 volume 0.13194E-01 ppm1 1.234 ppm2 4.465 CV 1 ASSI { 825} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 10 and name HA )) 2.700 2.700 3.300 peak 825 weight 0.11000E+01 volume 0.92520E-02 ppm1 0.813 ppm2 4.632 CV 1 ASSI { 826} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HA )) 3.700 1.700 1.700 peak 826 weight 0.11000E+01 volume 0.67798E-02 ppm1 0.859 ppm2 4.728 CV 1 ASSI { 827} ( segid " " and resid 17 and name HG2%) (( segid " " and resid 16 and name HA )) 3.900 1.900 1.900 peak 827 weight 0.11000E+01 volume 0.22773E-02 ppm1 1.143 ppm2 4.735 CV 1 ASSI { 828} ( segid " " and resid 20 and name HG2%) (( segid " " and resid 26 and name HA )) 3.800 3.800 2.200 peak 828 weight 0.11000E+01 volume 0.44522E-02 ppm1 1.221 ppm2 4.729 CV 1 ASSI { 829} ( segid " " and resid 20 and name HG2%) (( segid " " and resid 20 and name HA )) 3.100 1.200 1.200 peak 829 weight 0.11000E+01 volume 0.89374E-02 ppm1 1.237 ppm2 5.086 CV 1 ASSI { 830} ( segid " " and resid 17 and name HG2%) (( segid " " and resid 20 and name HA )) 4.600 4.600 1.400 peak 830 weight 0.11000E+01 volume 0.87136E-03 ppm1 1.143 ppm2 5.085 CV 1 ASSI { 831} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 25 and name HA )) 3.700 1.700 1.700 peak 831 weight 0.11000E+01 volume 0.23624E-02 ppm1 0.859 ppm2 5.084 CV 1 ASSI { 832} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 11 and name HA )) 4.500 4.500 1.500 peak 832 weight 0.11000E+01 volume 0.10986E-02 ppm1 0.810 ppm2 5.025 CV 1 ASSI { 833} (( segid " " and resid 3 and name HA )) (( segid " " and resid 30 and name HG2 )) 3.900 1.900 1.900 peak 833 weight 0.11000E+01 volume 0.20397E-02 ppm1 4.275 ppm2 2.150 CV 1 ASSI { 835} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 10 and name HA )) 3.500 1.600 1.600 peak 835 weight 0.11000E+01 volume 0.19575E-02 ppm1 0.858 ppm2 4.630 CV 1 ASSI { 836} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HA )) 5.500 3.800 0.500 peak 836 weight 0.11000E+01 volume 0.10690E-02 ppm1 0.813 ppm2 4.721 CV 1 ASSI { 837} (( segid " " and resid 24 and name HN )) ( segid " " and resid 23 and name HG2%) 5.100 3.200 0.900 peak 837 weight 0.11000E+01 volume 0.41520E-03 ppm1 8.486 ppm2 0.856 CV 1 ASSI { 838} (( segid " " and resid 10 and name HN )) (( segid " " and resid 8 and name HG2 )) 5.400 3.700 0.600 peak 838 weight 0.11000E+01 volume 0.46594E-03 ppm1 8.075 ppm2 0.984 CV 1 OR { 838} (( segid " " and resid 10 and name HN )) (( segid " " and resid 8 and name HG1 )) ASSI { 841} (( segid " " and resid 10 and name HE1 )) (( segid " " and resid 10 and name HB1 )) 6.000 6.000 0.000 peak 841 weight 0.11000E+01 volume 0.13876E-03 ppm1 8.585 ppm2 3.376 CV 1 ASSI { 842} (( segid " " and resid 10 and name HE1 )) (( segid " " and resid 10 and name HA )) 4.100 2.100 1.900 peak 842 weight 0.11000E+01 volume 0.20576E-03 ppm1 8.586 ppm2 4.642 CV 1 ASSI { 843} (( segid " " and resid 10 and name HE1 )) (( segid " " and resid 10 and name HD2 )) 6.000 5.600 0.000 peak 843 weight 0.11000E+01 volume 0.26276E-03 ppm1 8.588 ppm2 7.288 CV 1 ASSI { 847} (( segid " " and resid 25 and name HN )) ( segid " " and resid 23 and name HD1%) 3.900 3.900 2.100 peak 847 weight 0.11000E+01 volume 0.29217E-03 ppm1 7.804 ppm2 0.920 CV 1
Contact the webmaster for help, if required. Saturday, May 11, 2024 8:49:18 AM GMT (wattos1)