NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
595957 | 2mvu | 25284 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 16} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HB2 )) 4.000 2.000 2.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.50647E-03 ppm1 7.736 ppm2 3.006 CV 1 OR { 16} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 19} (( segid " " and resid 39 and name HN )) (( segid " " and resid 36 and name HA )) 3.400 1.400 1.400 peak 19 spectrum 1 weight 0.10000E+01 volume 0.13940E-02 ppm1 7.736 ppm2 4.358 CV 1 OR { 19} (( segid " " and resid 39 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 25} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 4 and name HG )) 3.000 1.100 1.100 peak 25 spectrum 1 weight 0.10000E+01 volume 0.18798E-02 ppm1 7.675 ppm2 1.692 CV 1 OR { 25} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 75 and name HG )) ASSI { 26} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HB1 )) 3.100 1.200 1.200 peak 26 spectrum 1 weight 0.10000E+01 volume 0.11657E-02 ppm1 7.676 ppm2 1.588 CV 1 OR { 26} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HG )) OR { 26} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 82 and name HB2 )) ASSI { 38} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HA )) 4.700 2.700 1.300 peak 38 spectrum 1 weight 0.10000E+01 volume 0.44915E-03 ppm1 7.475 ppm2 4.237 CV 1 OR { 38} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 48} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 4 and name HG )) 3.400 1.400 1.400 peak 48 spectrum 1 weight 0.10000E+01 volume 0.17354E-02 ppm1 7.333 ppm2 1.689 CV 1 OR { 48} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 75 and name HG )) ASSI { 49} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 5 and name HB1 )) 3.600 1.700 1.700 peak 49 spectrum 1 weight 0.10000E+01 volume 0.16433E-02 ppm1 7.333 ppm2 1.588 CV 1 OR { 49} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 5 and name HG )) OR { 49} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 82 and name HB2 )) ASSI { 54} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 5 and name HA )) 4.800 2.800 1.200 peak 54 spectrum 1 weight 0.10000E+01 volume 0.40400E-03 ppm1 7.334 ppm2 4.501 CV 1 OR { 54} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 76 and name HA )) ASSI { 64} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 3.500 1.500 1.500 peak 64 spectrum 1 weight 0.10000E+01 volume 0.87061E-03 ppm1 7.981 ppm2 4.682 CV 1 ASSI { 70} (( segid " " and resid 57 and name HN )) (( segid " " and resid 55 and name HB2 )) 4.100 2.100 1.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.40766E-03 ppm1 7.978 ppm2 1.609 CV 1 OR { 70} (( segid " " and resid 57 and name HN )) ( segid " " and resid 81 and name HB% ) OR { 70} (( segid " " and resid 57 and name HN )) (( segid " " and resid 5 and name HG )) ASSI { 71} (( segid " " and resid 57 and name HN )) ( segid " " and resid 58 and name HG1%) 3.500 1.600 1.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.11914E-02 ppm1 7.980 ppm2 0.951 CV 1 OR { 71} (( segid " " and resid 57 and name HN )) ( segid " " and resid 58 and name HG2%) OR { 71} (( segid " " and resid 57 and name HN )) ( segid " " and resid 82 and name HD1%) ASSI { 73} (( segid " " and resid 80 and name HN )) ( segid " " and resid 81 and name HB% ) 4.000 2.000 2.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.11692E-02 ppm1 8.435 ppm2 1.618 CV 1 OR { 73} (( segid " " and resid 80 and name HN )) ( segid " " and resid 83 and name HB% ) ASSI { 74} (( segid " " and resid 80 and name HN )) ( segid " " and resid 82 and name HD2%) 4.100 2.200 1.900 peak 74 spectrum 1 weight 0.10000E+01 volume 0.63393E-03 ppm1 8.436 ppm2 0.960 CV 1 OR { 74} (( segid " " and resid 80 and name HN )) ( segid " " and resid 82 and name HD1%) ASSI { 75} (( segid " " and resid 80 and name HN )) ( segid " " and resid 78 and name HG2%) 4.200 2.200 1.800 peak 75 spectrum 1 weight 0.10000E+01 volume 0.51933E-03 ppm1 8.435 ppm2 0.882 CV 1 OR { 75} (( segid " " and resid 80 and name HN )) ( segid " " and resid 4 and name HD1%) ASSI { 78} (( segid " " and resid 80 and name HN )) (( segid " " and resid 76 and name HA )) 3.800 1.800 1.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.87328E-03 ppm1 8.435 ppm2 4.476 CV 1 OR { 78} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HA )) ASSI { 85} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 2.400 0.700 0.700 peak 85 spectrum 1 weight 0.10000E+01 volume 0.64515E-02 ppm1 8.590 ppm2 4.271 CV 1 OR { 85} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA1 )) ASSI { 94} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 3.500 1.500 1.500 peak 94 spectrum 1 weight 0.10000E+01 volume 0.91006E-03 ppm1 8.086 ppm2 3.296 CV 1 OR { 94} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 108} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HG2%) 2.800 1.000 1.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.22848E-02 ppm1 7.723 ppm2 1.063 CV 1 OR { 108} (( segid " " and resid 38 and name HN )) ( segid " " and resid 33 and name HD2%) ASSI { 110} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.300 1.400 1.400 peak 110 spectrum 1 weight 0.10000E+01 volume 0.11889E-02 ppm1 7.723 ppm2 3.088 CV 1 OR { 110} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HB2 )) ASSI { 111} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB2 )) 3.500 1.500 1.500 peak 111 spectrum 1 weight 0.10000E+01 volume 0.92554E-03 ppm1 7.722 ppm2 2.995 CV 1 OR { 111} (( segid " " and resid 38 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 119} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB2 )) 2.400 0.700 0.700 peak 119 spectrum 1 weight 0.10000E+01 volume 0.68582E-02 ppm1 8.036 ppm2 4.109 CV 1 OR { 119} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB1 )) OR { 119} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HA )) ASSI { 133} (( segid " " and resid 42 and name HN )) (( segid " " and resid 45 and name HB2 )) 4.500 2.600 1.500 peak 133 spectrum 1 weight 0.10000E+01 volume 0.48902E-03 ppm1 8.942 ppm2 1.526 CV 1 OR { 133} (( segid " " and resid 42 and name HN )) ( segid " " and resid 44 and name HB% ) ASSI { 144} (( segid " " and resid 36 and name HN )) (( segid " " and resid 38 and name HN )) 4.200 2.300 1.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.45093E-03 ppm1 9.560 ppm2 7.731 CV 1 OR { 144} (( segid " " and resid 36 and name HN )) (( segid " " and resid 39 and name HN )) ASSI { 148} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.700 0.900 0.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.32757E-02 ppm1 9.560 ppm2 4.359 CV 1 OR { 148} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 150} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB2 )) 2.700 0.900 0.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.19929E-02 ppm1 9.560 ppm2 3.096 CV 1 OR { 150} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HB1 )) ASSI { 151} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HB2 )) 4.200 2.200 1.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.81718E-03 ppm1 9.560 ppm2 3.008 CV 1 OR { 151} (( segid " " and resid 36 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 154} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HB1 )) 2.600 0.900 0.900 peak 154 spectrum 1 weight 0.10000E+01 volume 0.36159E-02 ppm1 9.560 ppm2 2.135 CV 1 OR { 154} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) ASSI { 155} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HB2 )) 3.900 1.900 1.900 peak 155 spectrum 1 weight 0.10000E+01 volume 0.75581E-03 ppm1 9.561 ppm2 1.861 CV 1 OR { 155} (( segid " " and resid 36 and name HN )) (( segid " " and resid 38 and name HG11)) ASSI { 162} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB )) 2.000 0.500 0.500 peak 162 spectrum 1 weight 0.10000E+01 volume 0.25060E-02 ppm1 9.170 ppm2 2.427 CV 1 OR { 162} (( segid " " and resid 69 and name HN )) (( segid " " and resid 74 and name HB1 )) ASSI { 166} (( segid " " and resid 7 and name HN )) ( segid " " and resid 6 and name HG2%) 3.500 1.600 1.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.37253E-02 ppm1 8.862 ppm2 1.403 CV 1 OR { 166} (( segid " " and resid 7 and name HN )) ( segid " " and resid 7 and name HG2%) ASSI { 168} (( segid " " and resid 7 and name HN )) ( segid " " and resid 75 and name HD2%) 3.900 1.900 1.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.79484E-03 ppm1 8.862 ppm2 0.858 CV 1 OR { 168} (( segid " " and resid 7 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 169} (( segid " " and resid 7 and name HN )) ( segid " " and resid 31 and name HD2%) 3.800 1.800 1.800 peak 169 spectrum 1 weight 0.10000E+01 volume 0.77509E-03 ppm1 8.862 ppm2 0.801 CV 1 OR { 169} (( segid " " and resid 7 and name HN )) ( segid " " and resid 75 and name HD1%) ASSI { 170} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HB2 )) 4.800 2.800 1.200 peak 170 spectrum 1 weight 0.10000E+01 volume 0.53898E-03 ppm1 8.862 ppm2 2.714 CV 1 OR { 170} (( segid " " and resid 7 and name HN )) (( segid " " and resid 9 and name HB2 )) OR { 170} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HB1 )) ASSI { 177} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 2.800 1.000 1.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.33075E-02 ppm1 8.617 ppm2 4.523 CV 1 OR { 177} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HA )) ASSI { 179} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB1 )) 3.000 1.100 1.100 peak 179 spectrum 1 weight 0.10000E+01 volume 0.41621E-02 ppm1 8.617 ppm2 2.809 CV 1 OR { 179} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB1 )) ASSI { 180} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 2.500 0.800 0.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.46979E-02 ppm1 8.616 ppm2 2.750 CV 1 OR { 180} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB2 )) ASSI { 187} (( segid " " and resid 34 and name HN )) ( segid " " and resid 33 and name HD2%) 3.900 1.900 1.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.15640E-02 ppm1 8.487 ppm2 1.070 CV 1 OR { 187} (( segid " " and resid 34 and name HN )) ( segid " " and resid 70 and name HG2%) OR { 187} (( segid " " and resid 34 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 192} (( segid " " and resid 34 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.800 1.800 1.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.88412E-03 ppm1 8.488 ppm2 3.090 CV 1 OR { 192} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HB2 )) ASSI { 193} (( segid " " and resid 34 and name HN )) (( segid " " and resid 37 and name HB2 )) 3.700 1.700 1.700 peak 193 spectrum 1 weight 0.10000E+01 volume 0.61334E-03 ppm1 8.488 ppm2 2.995 CV 1 OR { 193} (( segid " " and resid 34 and name HN )) (( segid " " and resid 30 and name HB2 )) ASSI { 210} (( segid " " and resid 12 and name HN )) (( segid " " and resid 9 and name HB2 )) 3.900 1.900 1.900 peak 210 spectrum 1 weight 0.10000E+01 volume 0.40602E-03 ppm1 7.997 ppm2 2.710 CV 1 OR { 210} (( segid " " and resid 12 and name HN )) (( segid " " and resid 8 and name HB1 )) ASSI { 212} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB2 )) 2.100 0.600 0.600 peak 212 spectrum 1 weight 0.10000E+01 volume 0.11430E-01 ppm1 7.996 ppm2 2.036 CV 1 OR { 212} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB1 )) OR { 212} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB1 )) OR { 212} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB2 )) ASSI { 213} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG2 )) 3.800 1.800 1.800 peak 213 spectrum 1 weight 0.10000E+01 volume 0.15476E-02 ppm1 7.996 ppm2 1.683 CV 1 OR { 213} (( segid " " and resid 12 and name HN )) ( segid " " and resid 13 and name HB% ) ASSI { 214} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HG1 )) 4.100 2.100 1.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.71795E-03 ppm1 7.996 ppm2 1.393 CV 1 OR { 214} (( segid " " and resid 12 and name HN )) (( segid " " and resid 14 and name HB2 )) ASSI { 215} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HG2 )) 3.300 1.400 1.400 peak 215 spectrum 1 weight 0.10000E+01 volume 0.83796E-03 ppm1 7.997 ppm2 1.125 CV 1 OR { 215} (( segid " " and resid 12 and name HN )) ( segid " " and resid 15 and name HG2%) ASSI { 220} (( segid " " and resid 17 and name HN )) (( segid " " and resid 14 and name HA )) 3.100 1.200 1.200 peak 220 spectrum 1 weight 0.10000E+01 volume 0.11760E-02 ppm1 7.795 ppm2 4.392 CV 1 OR { 220} (( segid " " and resid 17 and name HN )) (( segid " " and resid 48 and name HB )) ASSI { 229} (( segid " " and resid 17 and name HN )) ( segid " " and resid 48 and name HG2%) 4.300 2.300 1.700 peak 229 spectrum 1 weight 0.10000E+01 volume 0.51346E-03 ppm1 7.795 ppm2 1.104 CV 1 OR { 229} (( segid " " and resid 17 and name HN )) ( segid " " and resid 15 and name HG2%) ASSI { 256} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA )) 2.600 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.42784E-02 ppm1 8.215 ppm2 4.339 CV 1 OR { 256} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) ASSI { 261} (( segid " " and resid 73 and name HN )) ( segid " " and resid 70 and name HG2%) 3.100 3.100 2.900 peak 261 spectrum 1 weight 0.10000E+01 volume 0.93906E-03 ppm1 7.837 ppm2 1.104 CV 1 OR { 261} (( segid " " and resid 73 and name HN )) ( segid " " and resid 10 and name HD2%) ASSI { 262} (( segid " " and resid 73 and name HN )) (( segid " " and resid 71 and name HD2 )) 4.600 2.600 1.400 peak 262 spectrum 1 weight 0.10000E+01 volume 0.35458E-03 ppm1 7.841 ppm2 2.779 CV 1 OR { 262} (( segid " " and resid 73 and name HN )) (( segid " " and resid 76 and name HB1 )) ASSI { 279} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HB2 )) 3.000 1.100 1.100 peak 279 spectrum 1 weight 0.10000E+01 volume 0.15902E-02 ppm1 7.542 ppm2 1.851 CV 1 OR { 279} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HG11)) ASSI { 282} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 3.400 1.400 1.400 peak 282 spectrum 1 weight 0.10000E+01 volume 0.10924E-02 ppm1 7.544 ppm2 4.362 CV 1 OR { 282} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 287} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HB1 )) 3.200 1.300 1.300 peak 287 spectrum 1 weight 0.10000E+01 volume 0.15649E-02 ppm1 7.546 ppm2 2.152 CV 1 OR { 287} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB2 )) ASSI { 293} (( segid " " and resid 31 and name HN )) ( segid " " and resid 7 and name HG2%) 4.300 2.300 1.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.35864E-03 ppm1 7.535 ppm2 1.385 CV 1 OR { 293} (( segid " " and resid 31 and name HN )) (( segid " " and resid 71 and name HG2 )) OR { 293} (( segid " " and resid 31 and name HN )) (( segid " " and resid 33 and name HB2 )) ASSI { 296} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 2.800 1.000 1.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.21495E-02 ppm1 7.534 ppm2 3.296 CV 1 OR { 296} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 306} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HA )) 5.100 3.300 0.900 peak 306 spectrum 1 weight 0.10000E+01 volume 0.37496E-03 ppm1 7.408 ppm2 3.987 CV 1 OR { 306} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HD1 )) ASSI { 307} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 3.400 1.500 1.500 peak 307 spectrum 1 weight 0.10000E+01 volume 0.13930E-02 ppm1 7.408 ppm2 4.525 CV 1 OR { 307} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HA )) ASSI { 315} (( segid " " and resid 33 and name HN )) (( segid " " and resid 70 and name HB )) 4.600 2.600 1.400 peak 315 spectrum 1 weight 0.10000E+01 volume 0.26691E-03 ppm1 7.222 ppm2 4.624 CV 1 OR { 315} (( segid " " and resid 33 and name HN )) (( segid " " and resid 38 and name HA )) ASSI { 318} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HA )) 3.800 1.800 1.800 peak 318 spectrum 1 weight 0.10000E+01 volume 0.68394E-03 ppm1 7.221 ppm2 3.296 CV 1 OR { 318} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 319} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HB2 )) 4.000 2.000 2.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.67048E-03 ppm1 7.221 ppm2 3.022 CV 1 OR { 319} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB1 )) ASSI { 322} (( segid " " and resid 33 and name HN )) (( segid " " and resid 71 and name HG1 )) 4.600 2.600 1.400 peak 322 spectrum 1 weight 0.10000E+01 volume 0.45178E-03 ppm1 7.222 ppm2 2.206 CV 1 OR { 322} (( segid " " and resid 33 and name HN )) (( segid " " and resid 71 and name HB1 )) OR { 322} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HB1 )) ASSI { 326} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HD2%) 3.800 1.800 1.800 peak 326 spectrum 1 weight 0.10000E+01 volume 0.23644E-02 ppm1 7.222 ppm2 1.069 CV 1 OR { 326} (( segid " " and resid 33 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 329} (( segid " " and resid 13 and name HN )) ( segid " " and resid 15 and name HG2%) 3.400 1.400 1.400 peak 329 spectrum 1 weight 0.10000E+01 volume 0.25884E-02 ppm1 7.703 ppm2 1.094 CV 1 OR { 329} (( segid " " and resid 74 and name HN )) ( segid " " and resid 10 and name HD2%) OR { 329} (( segid " " and resid 13 and name HN )) ( segid " " and resid 10 and name HD2%) OR { 329} (( segid " " and resid 13 and name HN )) ( segid " " and resid 48 and name HG2%) ASSI { 330} (( segid " " and resid 13 and name HN )) ( segid " " and resid 26 and name HD2%) 5.100 3.300 0.900 peak 330 spectrum 1 weight 0.10000E+01 volume 0.33711E-03 ppm1 7.703 ppm2 0.799 CV 1 OR { 330} (( segid " " and resid 13 and name HN )) ( segid " " and resid 14 and name HD1%) OR { 330} (( segid " " and resid 74 and name HN )) ( segid " " and resid 75 and name HD1%) OR { 330} (( segid " " and resid 74 and name HN )) ( segid " " and resid 78 and name HD1%) ASSI { 331} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG )) 3.900 1.900 1.900 peak 331 spectrum 1 weight 0.10000E+01 volume 0.15911E-02 ppm1 7.703 ppm2 0.988 CV 1 OR { 331} (( segid " " and resid 74 and name HN )) ( segid " " and resid 74 and name HD1%) OR { 331} (( segid " " and resid 74 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 332} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB2 )) 2.100 0.600 0.600 peak 332 spectrum 1 weight 0.10000E+01 volume 0.10158E-01 ppm1 7.702 ppm2 1.680 CV 1 OR { 332} (( segid " " and resid 13 and name HN )) ( segid " " and resid 13 and name HB% ) ASSI { 333} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HB2 )) 5.300 3.500 0.700 peak 333 spectrum 1 weight 0.10000E+01 volume 0.20530E-03 ppm1 7.703 ppm2 1.534 CV 1 OR { 333} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HG2 )) OR { 333} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HB2 )) ASSI { 334} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HG )) 3.600 1.700 1.700 peak 334 spectrum 1 weight 0.10000E+01 volume 0.92831E-03 ppm1 7.702 ppm2 1.898 CV 1 OR { 334} (( segid " " and resid 74 and name HN )) (( segid " " and resid 77 and name HB2 )) OR { 334} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HG )) ASSI { 337} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.900 1.100 1.100 peak 337 spectrum 1 weight 0.10000E+01 volume 0.13343E-02 ppm1 7.703 ppm2 2.270 CV 1 OR { 337} (( segid " " and resid 13 and name HN )) (( segid " " and resid 15 and name HB )) ASSI { 338} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HA )) 2.800 1.000 1.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.27862E-02 ppm1 7.703 ppm2 4.238 CV 1 OR { 338} (( segid " " and resid 74 and name HN )) (( segid " " and resid 71 and name HA )) OR { 338} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 339} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HN )) 2.600 0.800 0.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.29722E-02 ppm1 7.702 ppm2 8.735 CV 1 OR { 339} (( segid " " and resid 74 and name HN )) (( segid " " and resid 76 and name HN )) ASSI { 341} (( segid " " and resid 13 and name HN )) (( segid " " and resid 9 and name HA )) 3.600 3.600 2.400 peak 341 spectrum 1 weight 0.10000E+01 volume 0.33128E-03 ppm1 7.703 ppm2 4.550 CV 1 OR { 341} (( segid " " and resid 13 and name HN )) (( segid " " and resid 17 and name HA )) ASSI { 342} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 2.900 1.000 1.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.27903E-02 ppm1 7.702 ppm2 4.396 CV 1 OR { 342} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HA )) ASSI { 344} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HG1 )) 4.500 2.500 1.500 peak 344 spectrum 1 weight 0.10000E+01 volume 0.60227E-03 ppm1 7.702 ppm2 2.647 CV 1 OR { 344} (( segid " " and resid 13 and name HN )) (( segid " " and resid 16 and name HG1 )) ASSI { 345} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB2 )) 2.700 0.900 0.900 peak 345 spectrum 1 weight 0.10000E+01 volume 0.37975E-02 ppm1 7.702 ppm2 2.027 CV 1 OR { 345} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB1 )) OR { 345} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HB1 )) OR { 345} (( segid " " and resid 13 and name HN )) (( segid " " and resid 11 and name HB1 )) ASSI { 346} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HB1 )) 4.500 2.600 1.500 peak 346 spectrum 1 weight 0.10000E+01 volume 0.83618E-03 ppm1 7.701 ppm2 2.191 CV 1 OR { 346} (( segid " " and resid 13 and name HN )) (( segid " " and resid 16 and name HB1 )) OR { 346} (( segid " " and resid 13 and name HN )) (( segid " " and resid 52 and name HB1 )) ASSI { 348} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB2 )) 2.800 0.900 0.900 peak 348 spectrum 1 weight 0.10000E+01 volume 0.37161E-02 ppm1 8.128 ppm2 2.027 CV 1 OR { 348} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HG )) OR { 348} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HG1 )) ASSI { 352} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 2.700 0.900 0.900 peak 352 spectrum 1 weight 0.10000E+01 volume 0.36528E-02 ppm1 8.128 ppm2 4.248 CV 1 OR { 352} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 353} (( segid " " and resid 51 and name HN )) (( segid " " and resid 48 and name HA )) 3.300 1.400 1.400 peak 353 spectrum 1 weight 0.10000E+01 volume 0.10689E-02 ppm1 8.129 ppm2 3.954 CV 1 OR { 353} (( segid " " and resid 51 and name HN )) (( segid " " and resid 49 and name HA )) ASSI { 357} (( segid " " and resid 48 and name HN )) ( segid " " and resid 49 and name HB% ) 4.000 2.000 2.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.10925E-02 ppm1 8.326 ppm2 1.531 CV 1 OR { 357} (( segid " " and resid 48 and name HN )) (( segid " " and resid 45 and name HB2 )) ASSI { 358} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB1 )) 3.000 1.100 1.100 peak 358 spectrum 1 weight 0.10000E+01 volume 0.17498E-02 ppm1 8.325 ppm2 2.345 CV 1 OR { 358} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HB1 )) ASSI { 363} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 3.300 1.400 1.400 peak 363 spectrum 1 weight 0.10000E+01 volume 0.12454E-02 ppm1 8.326 ppm2 4.242 CV 1 OR { 363} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 364} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 2.900 1.100 1.100 peak 364 spectrum 1 weight 0.10000E+01 volume 0.22607E-02 ppm1 8.325 ppm2 3.943 CV 1 OR { 364} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HA )) ASSI { 367} (( segid " " and resid 14 and name HN )) ( segid " " and resid 48 and name HG2%) 3.400 1.500 1.500 peak 367 spectrum 1 weight 0.10000E+01 volume 0.19671E-02 ppm1 8.421 ppm2 1.111 CV 1 OR { 367} (( segid " " and resid 14 and name HN )) ( segid " " and resid 15 and name HG2%) OR { 367} (( segid " " and resid 14 and name HN )) ( segid " " and resid 10 and name HD2%) ASSI { 368} (( segid " " and resid 14 and name HN )) ( segid " " and resid 14 and name HD2%) 4.200 2.200 1.800 peak 368 spectrum 1 weight 0.10000E+01 volume 0.14660E-02 ppm1 8.421 ppm2 0.903 CV 1 OR { 368} (( segid " " and resid 14 and name HN )) ( segid " " and resid 75 and name HD2%) ASSI { 369} (( segid " " and resid 14 and name HN )) ( segid " " and resid 14 and name HD1%) 4.100 2.100 1.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.13738E-02 ppm1 8.421 ppm2 0.767 CV 1 OR { 369} (( segid " " and resid 14 and name HN )) ( segid " " and resid 26 and name HD2%) ASSI { 370} (( segid " " and resid 14 and name HN )) ( segid " " and resid 10 and name HD1%) 3.500 1.600 1.600 peak 370 spectrum 1 weight 0.10000E+01 volume 0.18469E-02 ppm1 8.421 ppm2 1.052 CV 1 OR { 370} (( segid " " and resid 14 and name HN )) ( segid " " and resid 52 and name HD2%) OR { 370} (( segid " " and resid 14 and name HN )) ( segid " " and resid 15 and name HG1%) ASSI { 373} (( segid " " and resid 14 and name HN )) (( segid " " and resid 10 and name HG )) 2.700 0.900 0.900 peak 373 spectrum 1 weight 0.10000E+01 volume 0.37930E-02 ppm1 8.421 ppm2 1.879 CV 1 OR { 373} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HG )) ASSI { 376} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA )) 2.800 1.000 1.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.27126E-02 ppm1 8.420 ppm2 4.399 CV 1 OR { 376} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA )) ASSI { 377} (( segid " " and resid 14 and name HN )) (( segid " " and resid 10 and name HA )) 4.000 2.000 2.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.48494E-03 ppm1 8.421 ppm2 4.197 CV 1 OR { 377} (( segid " " and resid 14 and name HN )) (( segid " " and resid 16 and name HA )) ASSI { 378} (( segid " " and resid 14 and name HN )) (( segid " " and resid 12 and name HA )) 4.300 2.300 1.700 peak 378 spectrum 1 weight 0.10000E+01 volume 0.38304E-03 ppm1 8.421 ppm2 4.030 CV 1 OR { 378} (( segid " " and resid 14 and name HN )) (( segid " " and resid 17 and name HB2 )) ASSI { 382} (( segid " " and resid 11 and name HN )) ( segid " " and resid 30 and name HE% ) 4.400 2.400 1.600 peak 382 spectrum 1 weight 0.10000E+01 volume 0.63844E-03 ppm1 8.852 ppm2 7.214 CV 1 OR { 382} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HE )) ASSI { 389} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HB2 )) 4.300 2.300 1.700 peak 389 spectrum 1 weight 0.10000E+01 volume 0.44328E-03 ppm1 8.853 ppm2 2.716 CV 1 OR { 389} (( segid " " and resid 11 and name HN )) (( segid " " and resid 8 and name HB1 )) ASSI { 394} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG1 )) 3.900 1.900 1.900 peak 394 spectrum 1 weight 0.10000E+01 volume 0.96622E-03 ppm1 8.851 ppm2 1.396 CV 1 OR { 394} (( segid " " and resid 11 and name HN )) ( segid " " and resid 7 and name HG2%) ASSI { 395} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG2 )) 3.800 1.800 1.800 peak 395 spectrum 1 weight 0.10000E+01 volume 0.13717E-02 ppm1 8.852 ppm2 1.133 CV 1 OR { 395} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HD2%) ASSI { 396} (( segid " " and resid 11 and name HN )) ( segid " " and resid 75 and name HD2%) 5.400 3.700 0.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.23838E-03 ppm1 8.852 ppm2 0.900 CV 1 OR { 396} (( segid " " and resid 11 and name HN )) ( segid " " and resid 14 and name HD2%) OR { 396} (( segid " " and resid 11 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 397} (( segid " " and resid 11 and name HN )) ( segid " " and resid 26 and name HD2%) 5.100 3.200 0.900 peak 397 spectrum 1 weight 0.10000E+01 volume 0.26920E-03 ppm1 8.851 ppm2 0.797 CV 1 OR { 397} (( segid " " and resid 11 and name HN )) ( segid " " and resid 75 and name HD1%) OR { 397} (( segid " " and resid 11 and name HN )) ( segid " " and resid 14 and name HD1%) ASSI { 398} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HD1%) 4.300 2.300 1.700 peak 398 spectrum 1 weight 0.10000E+01 volume 0.94009E-03 ppm1 8.853 ppm2 1.054 CV 1 OR { 398} (( segid " " and resid 11 and name HN )) ( segid " " and resid 52 and name HD2%) ASSI { 399} (( segid " " and resid 53 and name HN )) ( segid " " and resid 50 and name HB% ) 3.900 1.900 1.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.34495E-03 ppm1 8.969 ppm2 1.653 CV 1 OR { 399} (( segid " " and resid 53 and name HN )) ( segid " " and resid 13 and name HB% ) OR { 399} (( segid " " and resid 53 and name HN )) ( segid " " and resid 81 and name HB% ) ASSI { 401} (( segid " " and resid 53 and name HN )) ( segid " " and resid 52 and name HD2%) 5.000 3.100 1.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.39397E-03 ppm1 8.968 ppm2 1.035 CV 1 OR { 401} (( segid " " and resid 53 and name HN )) ( segid " " and resid 10 and name HD1%) OR { 401} (( segid " " and resid 53 and name HN )) ( segid " " and resid 74 and name HD1%) ASSI { 402} (( segid " " and resid 53 and name HN )) ( segid " " and resid 52 and name HD1%) 4.300 2.400 1.700 peak 402 spectrum 1 weight 0.10000E+01 volume 0.88046E-03 ppm1 8.969 ppm2 0.850 CV 1 OR { 402} (( segid " " and resid 53 and name HN )) ( segid " " and resid 78 and name HG2%) OR { 402} (( segid " " and resid 53 and name HN )) ( segid " " and resid 60 and name HD1%) ASSI { 408} (( segid " " and resid 53 and name HN )) (( segid " " and resid 50 and name HA )) 3.200 1.300 1.300 peak 408 spectrum 1 weight 0.10000E+01 volume 0.13668E-02 ppm1 8.970 ppm2 4.279 CV 1 OR { 408} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HA )) ASSI { 409} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) 2.800 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.21537E-02 ppm1 8.970 ppm2 4.105 CV 1 OR { 409} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HB2 )) OR { 409} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HB1 )) ASSI { 417} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA )) 3.600 1.600 1.600 peak 417 spectrum 1 weight 0.10000E+01 volume 0.63947E-03 ppm1 9.016 ppm2 4.234 CV 1 OR { 417} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 424} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HG2 )) 4.900 3.000 1.100 peak 424 spectrum 1 weight 0.10000E+01 volume 0.42647E-03 ppm1 9.019 ppm2 2.460 CV 1 OR { 424} (( segid " " and resid 72 and name HN )) (( segid " " and resid 74 and name HB1 )) OR { 424} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HB1 )) ASSI { 430} (( segid " " and resid 72 and name HN )) ( segid " " and resid 70 and name HG2%) 4.000 2.000 2.000 peak 430 spectrum 1 weight 0.10000E+01 volume 0.13632E-02 ppm1 9.017 ppm2 1.035 CV 1 OR { 430} (( segid " " and resid 72 and name HN )) ( segid " " and resid 74 and name HD1%) ASSI { 437} (( segid " " and resid 75 and name HN )) ( segid " " and resid 74 and name HD1%) 4.000 2.000 2.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.97827E-03 ppm1 8.742 ppm2 1.001 CV 1 OR { 437} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HG )) OR { 437} (( segid " " and resid 75 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 438} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.300 1.400 1.400 peak 438 spectrum 1 weight 0.10000E+01 volume 0.32809E-02 ppm1 8.742 ppm2 1.694 CV 1 OR { 438} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG )) ASSI { 441} (( segid " " and resid 75 and name HN )) (( segid " " and resid 78 and name HB )) 4.900 3.000 1.100 peak 441 spectrum 1 weight 0.10000E+01 volume 0.36146E-03 ppm1 8.743 ppm2 1.924 CV 1 OR { 441} (( segid " " and resid 75 and name HN )) (( segid " " and resid 77 and name HB2 )) OR { 441} (( segid " " and resid 75 and name HN )) (( segid " " and resid 10 and name HG )) ASSI { 451} (( segid " " and resid 15 and name HN )) ( segid " " and resid 26 and name HD2%) 4.100 2.100 1.900 peak 451 spectrum 1 weight 0.10000E+01 volume 0.63257E-03 ppm1 8.510 ppm2 0.788 CV 1 OR { 451} (( segid " " and resid 15 and name HN )) ( segid " " and resid 14 and name HD1%) ASSI { 453} (( segid " " and resid 20 and name HN )) ( segid " " and resid 18 and name HB% ) 3.400 1.400 1.400 peak 453 spectrum 1 weight 0.10000E+01 volume 0.17596E-02 ppm1 8.511 ppm2 1.532 CV 1 OR { 453} (( segid " " and resid 15 and name HN )) ( segid " " and resid 18 and name HB% ) OR { 453} (( segid " " and resid 47 and name HN )) (( segid " " and resid 45 and name HB2 )) OR { 453} (( segid " " and resid 47 and name HN )) ( segid " " and resid 49 and name HB% ) ASSI { 454} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB2 )) 3.600 1.600 1.600 peak 454 spectrum 1 weight 0.10000E+01 volume 0.15628E-02 ppm1 8.510 ppm2 1.419 CV 1 OR { 454} (( segid " " and resid 15 and name HN )) (( segid " " and resid 11 and name HG1 )) OR { 454} (( segid " " and resid 15 and name HN )) (( segid " " and resid 26 and name HB1 )) ASSI { 455} (( segid " " and resid 15 and name HN )) ( segid " " and resid 13 and name HB% ) 4.100 2.200 1.900 peak 455 spectrum 1 weight 0.10000E+01 volume 0.71533E-03 ppm1 8.512 ppm2 1.656 CV 1 OR { 455} (( segid " " and resid 47 and name HN )) ( segid " " and resid 50 and name HB% ) ASSI { 456} (( segid " " and resid 15 and name HN )) (( segid " " and resid 12 and name HB1 )) 2.800 2.800 3.200 peak 456 spectrum 1 weight 0.10000E+01 volume 0.43121E-02 ppm1 8.508 ppm2 2.054 CV 1 OR { 456} (( segid " " and resid 15 and name HN )) (( segid " " and resid 12 and name HB2 )) OR { 456} (( segid " " and resid 15 and name HN )) (( segid " " and resid 11 and name HB1 )) OR { 456} (( segid " " and resid 15 and name HN )) (( segid " " and resid 11 and name HB2 )) OR { 456} (( segid " " and resid 47 and name HN )) (( segid " " and resid 51 and name HB2 )) ASSI { 457} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HG )) 3.900 1.900 1.900 peak 457 spectrum 1 weight 0.10000E+01 volume 0.54813E-03 ppm1 8.512 ppm2 1.880 CV 1 OR { 457} (( segid " " and resid 47 and name HN )) (( segid " " and resid 43 and name HB1 )) OR { 457} (( segid " " and resid 15 and name HN )) (( segid " " and resid 10 and name HG )) ASSI { 458} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB )) 2.100 0.600 0.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.10572E-01 ppm1 8.511 ppm2 2.268 CV 1 OR { 458} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB2 )) ASSI { 459} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HG1 )) 3.700 1.800 1.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.20036E-02 ppm1 8.513 ppm2 2.603 CV 1 OR { 459} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HG1 )) ASSI { 462} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA1 )) 2.500 0.800 0.800 peak 462 spectrum 1 weight 0.10000E+01 volume 0.65256E-02 ppm1 8.508 ppm2 4.055 CV 1 OR { 462} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA2 )) OR { 462} (( segid " " and resid 15 and name HN )) (( segid " " and resid 12 and name HA )) ASSI { 463} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA )) 2.700 0.900 0.900 peak 463 spectrum 1 weight 0.10000E+01 volume 0.28374E-02 ppm1 8.511 ppm2 3.912 CV 1 OR { 463} (( segid " " and resid 47 and name HN )) (( segid " " and resid 45 and name HA )) ASSI { 465} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 2.800 1.000 1.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.25686E-02 ppm1 8.507 ppm2 4.460 CV 1 OR { 465} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA )) ASSI { 466} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HA )) 2.700 0.900 0.900 peak 466 spectrum 1 weight 0.10000E+01 volume 0.39457E-02 ppm1 8.512 ppm2 4.238 CV 1 OR { 466} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HA )) OR { 466} (( segid " " and resid 47 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 467} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB1 )) 2.600 0.800 0.800 peak 467 spectrum 1 weight 0.10000E+01 volume 0.80554E-02 ppm1 8.510 ppm2 2.369 CV 1 OR { 467} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG2 )) OR { 467} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG1 )) ASSI { 468} (( segid " " and resid 52 and name HN )) ( segid " " and resid 52 and name HD2%) 3.600 1.600 1.600 peak 468 spectrum 1 weight 0.10000E+01 volume 0.17650E-02 ppm1 8.422 ppm2 1.040 CV 1 OR { 468} (( segid " " and resid 52 and name HN )) ( segid " " and resid 10 and name HD1%) ASSI { 469} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB1 )) 2.600 0.900 0.900 peak 469 spectrum 1 weight 0.10000E+01 volume 0.49127E-02 ppm1 8.423 ppm2 2.212 CV 1 OR { 469} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB1 )) ASSI { 470} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA )) 2.600 0.900 0.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.28620E-02 ppm1 8.423 ppm2 4.307 CV 1 OR { 470} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 471} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HA )) 4.400 2.400 1.600 peak 471 spectrum 1 weight 0.10000E+01 volume 0.53640E-03 ppm1 8.427 ppm2 4.098 CV 1 OR { 471} (( segid " " and resid 52 and name HN )) (( segid " " and resid 54 and name HB2 )) OR { 471} (( segid " " and resid 52 and name HN )) (( segid " " and resid 54 and name HB1 )) OR { 471} (( segid " " and resid 52 and name HN )) (( segid " " and resid 55 and name HA )) ASSI { 476} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB2 )) 2.100 0.500 0.500 peak 476 spectrum 1 weight 0.10000E+01 volume 0.85072E-02 ppm1 8.436 ppm2 1.531 CV 1 OR { 476} (( segid " " and resid 45 and name HN )) ( segid " " and resid 44 and name HB% ) ASSI { 480} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HG1 )) 4.200 2.200 1.800 peak 480 spectrum 1 weight 0.10000E+01 volume 0.61160E-03 ppm1 8.436 ppm2 2.801 CV 1 OR { 480} (( segid " " and resid 45 and name HN )) (( segid " " and resid 40 and name HB2 )) ASSI { 483} (( segid " " and resid 45 and name HN )) (( segid " " and resid 42 and name HA )) 3.000 1.100 1.100 peak 483 spectrum 1 weight 0.10000E+01 volume 0.27587E-02 ppm1 8.435 ppm2 4.273 CV 1 OR { 483} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HA )) OR { 483} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 489} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 2.600 0.900 0.900 peak 489 spectrum 1 weight 0.10000E+01 volume 0.47739E-02 ppm1 8.101 ppm2 4.104 CV 1 OR { 489} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB2 )) OR { 489} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB1 )) ASSI { 490} (( segid " " and resid 55 and name HN )) (( segid " " and resid 52 and name HA )) 3.100 1.200 1.200 peak 490 spectrum 1 weight 0.10000E+01 volume 0.16443E-02 ppm1 8.099 ppm2 4.346 CV 1 OR { 490} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA )) ASSI { 491} (( segid " " and resid 10 and name HN )) ( segid " " and resid 10 and name HD1%) 3.800 1.800 1.800 peak 491 spectrum 1 weight 0.10000E+01 volume 0.18655E-02 ppm1 8.082 ppm2 1.055 CV 1 OR { 491} (( segid " " and resid 10 and name HN )) ( segid " " and resid 52 and name HD2%) ASSI { 492} (( segid " " and resid 10 and name HN )) ( segid " " and resid 75 and name HD1%) 3.800 1.800 1.800 peak 492 spectrum 1 weight 0.10000E+01 volume 0.80244E-03 ppm1 8.084 ppm2 0.802 CV 1 OR { 492} (( segid " " and resid 10 and name HN )) ( segid " " and resid 26 and name HD2%) ASSI { 494} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) 2.300 0.600 0.600 peak 494 spectrum 1 weight 0.10000E+01 volume 0.60776E-02 ppm1 8.085 ppm2 1.571 CV 1 OR { 494} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HG12)) ASSI { 495} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB1 )) 4.100 2.100 1.900 peak 495 spectrum 1 weight 0.10000E+01 volume 0.94605E-03 ppm1 8.084 ppm2 2.042 CV 1 OR { 495} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB2 )) OR { 495} (( segid " " and resid 10 and name HN )) (( segid " " and resid 12 and name HB2 )) ASSI { 498} (( segid " " and resid 10 and name HN )) ( segid " " and resid 10 and name HD2%) 4.100 2.100 1.900 peak 498 spectrum 1 weight 0.10000E+01 volume 0.16221E-02 ppm1 8.082 ppm2 1.116 CV 1 OR { 498} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HG2 )) ASSI { 499} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB1 )) 2.800 1.000 1.000 peak 499 spectrum 1 weight 0.10000E+01 volume 0.59087E-02 ppm1 8.068 ppm2 3.015 CV 1 OR { 499} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 501} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA2 )) 2.700 0.900 0.900 peak 501 spectrum 1 weight 0.10000E+01 volume 0.19986E-02 ppm1 8.067 ppm2 3.882 CV 1 OR { 501} (( segid " " and resid 10 and name HN )) (( segid " " and resid 7 and name HA )) ASSI { 502} (( segid " " and resid 40 and name HN )) (( segid " " and resid 36 and name HA )) 3.100 1.200 1.200 peak 502 spectrum 1 weight 0.10000E+01 volume 0.15123E-02 ppm1 8.062 ppm2 4.363 CV 1 OR { 502} (( segid " " and resid 40 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 503} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 3.000 1.100 1.100 peak 503 spectrum 1 weight 0.10000E+01 volume 0.20260E-02 ppm1 8.061 ppm2 4.575 CV 1 OR { 503} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) ASSI { 511} (( segid " " and resid 83 and name HN )) ( segid " " and resid 4 and name HD1%) 3.500 1.600 1.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.73681E-03 ppm1 7.972 ppm2 0.887 CV 1 OR { 511} (( segid " " and resid 83 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 513} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB2 )) 2.400 0.700 0.700 peak 513 spectrum 1 weight 0.10000E+01 volume 0.46879E-02 ppm1 7.915 ppm2 2.711 CV 1 OR { 513} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB2 )) OR { 513} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB1 )) ASSI { 514} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HB2 )) 4.100 2.100 1.900 peak 514 spectrum 1 weight 0.10000E+01 volume 0.10758E-02 ppm1 7.918 ppm2 1.584 CV 1 OR { 514} (( segid " " and resid 9 and name HN )) (( segid " " and resid 5 and name HB1 )) OR { 514} (( segid " " and resid 9 and name HN )) (( segid " " and resid 5 and name HG )) ASSI { 515} (( segid " " and resid 9 and name HN )) ( segid " " and resid 6 and name HG2%) 3.700 1.700 1.700 peak 515 spectrum 1 weight 0.10000E+01 volume 0.68174E-03 ppm1 7.915 ppm2 1.408 CV 1 OR { 515} (( segid " " and resid 9 and name HN )) ( segid " " and resid 7 and name HG2%) OR { 515} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HG1 )) ASSI { 518} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HB1 )) 4.300 2.300 1.700 peak 518 spectrum 1 weight 0.10000E+01 volume 0.41608E-03 ppm1 7.912 ppm2 2.038 CV 1 OR { 518} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HB2 )) OR { 518} (( segid " " and resid 9 and name HN )) (( segid " " and resid 12 and name HB2 )) OR { 518} (( segid " " and resid 9 and name HN )) (( segid " " and resid 12 and name HB1 )) ASSI { 527} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.600 1.600 1.600 peak 527 spectrum 1 weight 0.10000E+01 volume 0.14007E-02 ppm1 7.812 ppm2 4.069 CV 1 OR { 527} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HA2 )) OR { 527} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HA1 )) ASSI { 533} (( segid " " and resid 77 and name HN )) ( segid " " and resid 74 and name HD2%) 3.800 1.800 1.800 peak 533 spectrum 1 weight 0.10000E+01 volume 0.78152E-03 ppm1 8.009 ppm2 1.071 CV 1 OR { 533} (( segid " " and resid 77 and name HN )) (( segid " " and resid 60 and name HG12)) ASSI { 535} (( segid " " and resid 77 and name HN )) ( segid " " and resid 60 and name HD1%) 4.900 2.900 1.100 peak 535 spectrum 1 weight 0.10000E+01 volume 0.51318E-03 ppm1 8.010 ppm2 0.835 CV 1 OR { 535} (( segid " " and resid 77 and name HN )) ( segid " " and resid 78 and name HD1%) OR { 535} (( segid " " and resid 77 and name HN )) ( segid " " and resid 75 and name HD1%) OR { 535} (( segid " " and resid 77 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 536} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HG11)) 5.000 3.100 1.000 peak 536 spectrum 1 weight 0.10000E+01 volume 0.52894E-03 ppm1 8.011 ppm2 1.696 CV 1 OR { 536} (( segid " " and resid 77 and name HN )) (( segid " " and resid 75 and name HG )) ASSI { 538} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB2 )) 2.300 0.700 0.700 peak 538 spectrum 1 weight 0.10000E+01 volume 0.47612E-02 ppm1 8.010 ppm2 1.918 CV 1 OR { 538} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HB )) ASSI { 542} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA )) 2.500 0.800 0.800 peak 542 spectrum 1 weight 0.10000E+01 volume 0.45902E-02 ppm1 8.009 ppm2 4.279 CV 1 OR { 542} (( segid " " and resid 77 and name HN )) (( segid " " and resid 74 and name HA )) OR { 542} (( segid " " and resid 77 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 544} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HN )) 2.500 0.800 0.800 peak 544 spectrum 1 weight 0.10000E+01 volume 0.34417E-02 ppm1 8.009 ppm2 8.716 CV 1 OR { 544} (( segid " " and resid 77 and name HN )) (( segid " " and resid 75 and name HN )) ASSI { 549} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB1 )) 3.000 1.100 1.100 peak 549 spectrum 1 weight 0.10000E+01 volume 0.18073E-02 ppm1 8.073 ppm2 3.292 CV 1 OR { 549} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HA )) ASSI { 563} (( segid " " and resid 62 and name HN )) ( segid " " and resid 64 and name HG2%) 5.300 3.500 0.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.39609E-03 ppm1 8.825 ppm2 1.018 CV 1 OR { 563} (( segid " " and resid 62 and name HN )) ( segid " " and resid 60 and name HG2%) OR { 563} (( segid " " and resid 62 and name HN )) ( segid " " and resid 64 and name HG1%) ASSI { 567} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB2 )) 3.000 1.100 1.100 peak 567 spectrum 1 weight 0.10000E+01 volume 0.38258E-02 ppm1 8.824 ppm2 2.753 CV 1 OR { 567} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HB2 )) ASSI { 577} (( segid " " and resid 49 and name HN )) ( segid " " and resid 74 and name HD1%) 4.400 2.400 1.600 peak 577 spectrum 1 weight 0.10000E+01 volume 0.38197E-03 ppm1 8.744 ppm2 0.996 CV 1 OR { 577} (( segid " " and resid 49 and name HN )) (( segid " " and resid 74 and name HG )) OR { 577} (( segid " " and resid 49 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 579} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HB2 )) 4.600 2.600 1.400 peak 579 spectrum 1 weight 0.10000E+01 volume 0.33384E-03 ppm1 8.746 ppm2 2.337 CV 1 OR { 579} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HB1 )) OR { 579} (( segid " " and resid 49 and name HN )) (( segid " " and resid 53 and name HG2 )) ASSI { 580} (( segid " " and resid 49 and name HN )) (( segid " " and resid 51 and name HB1 )) 5.900 4.300 0.100 peak 580 spectrum 1 weight 0.10000E+01 volume 0.70111E-04 ppm1 8.746 ppm2 2.207 CV 1 OR { 580} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HB2 )) OR { 580} (( segid " " and resid 49 and name HN )) (( segid " " and resid 52 and name HB1 )) ASSI { 582} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HA )) 3.300 1.300 1.300 peak 582 spectrum 1 weight 0.10000E+01 volume 0.11693E-02 ppm1 8.745 ppm2 4.266 CV 1 OR { 582} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HA )) OR { 582} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 583} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) 2.700 0.900 0.900 peak 583 spectrum 1 weight 0.10000E+01 volume 0.31376E-02 ppm1 8.744 ppm2 3.952 CV 1 OR { 583} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 603} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HG )) 3.200 1.300 1.300 peak 603 spectrum 1 weight 0.10000E+01 volume 0.28933E-02 ppm1 8.480 ppm2 1.579 CV 1 OR { 603} (( segid " " and resid 35 and name HN )) (( segid " " and resid 38 and name HG12)) ASSI { 606} (( segid " " and resid 26 and name HN )) ( segid " " and resid 33 and name HD2%) 3.500 1.500 1.500 peak 606 spectrum 1 weight 0.10000E+01 volume 0.13407E-02 ppm1 8.454 ppm2 1.076 CV 1 OR { 606} (( segid " " and resid 35 and name HN )) ( segid " " and resid 70 and name HG2%) OR { 606} (( segid " " and resid 26 and name HN )) ( segid " " and resid 38 and name HG2%) OR { 606} (( segid " " and resid 35 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 620} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 2.700 0.900 0.900 peak 620 spectrum 1 weight 0.10000E+01 volume 0.27439E-02 ppm1 8.454 ppm2 4.384 CV 1 OR { 620} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 624} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB2 )) 4.200 2.200 1.800 peak 624 spectrum 1 weight 0.10000E+01 volume 0.78002E-03 ppm1 8.452 ppm2 1.858 CV 1 OR { 624} (( segid " " and resid 35 and name HN )) (( segid " " and resid 38 and name HG11)) ASSI { 627} (( segid " " and resid 35 and name HN )) ( segid " " and resid 38 and name HD1%) 5.100 3.200 0.900 peak 627 spectrum 1 weight 0.10000E+01 volume 0.39155E-03 ppm1 8.454 ppm2 0.869 CV 1 OR { 627} (( segid " " and resid 26 and name HN )) ( segid " " and resid 38 and name HD1%) OR { 627} (( segid " " and resid 26 and name HN )) ( segid " " and resid 14 and name HD2%) ASSI { 632} (( segid " " and resid 44 and name HN )) (( segid " " and resid 47 and name HB1 )) 4.900 3.000 1.100 peak 632 spectrum 1 weight 0.10000E+01 volume 0.34346E-03 ppm1 8.139 ppm2 2.338 CV 1 OR { 632} (( segid " " and resid 44 and name HN )) (( segid " " and resid 46 and name HB1 )) OR { 632} (( segid " " and resid 44 and name HN )) (( segid " " and resid 46 and name HB2 )) ASSI { 635} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HA )) 2.600 0.900 0.900 peak 635 spectrum 1 weight 0.10000E+01 volume 0.39358E-02 ppm1 8.139 ppm2 4.304 CV 1 OR { 635} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 636} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HA )) 5.000 3.100 1.000 peak 636 spectrum 1 weight 0.10000E+01 volume 0.23165E-03 ppm1 8.140 ppm2 3.906 CV 1 ASSI { 650} (( segid " " and resid 43 and name HN )) ( segid " " and resid 44 and name HB% ) 3.300 1.400 1.400 peak 650 spectrum 1 weight 0.10000E+01 volume 0.39978E-02 ppm1 7.791 ppm2 1.532 CV 1 OR { 650} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HB2 )) ASSI { 656} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.500 0.800 0.800 peak 656 spectrum 1 weight 0.10000E+01 volume 0.40182E-02 ppm1 7.792 ppm2 4.268 CV 1 OR { 656} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 657} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB2 )) 3.400 1.500 1.500 peak 657 spectrum 1 weight 0.10000E+01 volume 0.29323E-02 ppm1 7.792 ppm2 4.318 CV 1 OR { 657} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HA )) ASSI { 667} (( segid " " and resid 81 and name HN )) ( segid " " and resid 58 and name HG1%) 4.100 2.100 1.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.98531E-03 ppm1 7.608 ppm2 0.975 CV 1 OR { 667} (( segid " " and resid 81 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 668} (( segid " " and resid 81 and name HN )) ( segid " " and resid 60 and name HD1%) 3.700 1.700 1.700 peak 668 spectrum 1 weight 0.10000E+01 volume 0.74746E-03 ppm1 7.608 ppm2 0.880 CV 1 OR { 668} (( segid " " and resid 81 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 671} (( segid " " and resid 16 and name HN )) (( segid " " and resid 13 and name HA )) 3.200 1.300 1.300 peak 671 spectrum 1 weight 0.10000E+01 volume 0.17816E-02 ppm1 8.235 ppm2 4.398 CV 1 OR { 671} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HA )) OR { 671} (( segid " " and resid 50 and name HN )) (( segid " " and resid 48 and name HB )) ASSI { 672} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA )) 2.300 0.700 0.700 peak 672 spectrum 1 weight 0.10000E+01 volume 0.88492E-02 ppm1 8.242 ppm2 4.251 CV 1 OR { 672} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) OR { 672} (( segid " " and resid 50 and name HN )) (( segid " " and resid 47 and name HA )) OR { 672} (( segid " " and resid 46 and name HN )) (( segid " " and resid 43 and name HA )) OR { 672} (( segid " " and resid 46 and name HN )) (( segid " " and resid 42 and name HA )) OR { 672} (( segid " " and resid 50 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 673} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HA )) 2.900 1.000 1.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.27185E-02 ppm1 8.237 ppm2 3.920 CV 1 OR { 673} (( segid " " and resid 46 and name HN )) (( segid " " and resid 42 and name H28% )) ASSI { 674} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB )) 2.300 0.700 0.700 peak 674 spectrum 1 weight 0.10000E+01 volume 0.10227E-01 ppm1 8.235 ppm2 2.276 CV 1 OR { 674} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB2 )) ASSI { 676} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB )) 2.100 0.500 0.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.79705E-02 ppm1 8.282 ppm2 1.942 CV 1 OR { 676} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB2 )) ASSI { 678} (( segid " " and resid 50 and name HN )) ( segid " " and resid 49 and name HB% ) 2.600 0.900 0.900 peak 678 spectrum 1 weight 0.10000E+01 volume 0.54705E-02 ppm1 8.242 ppm2 1.533 CV 1 OR { 678} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB2 )) ASSI { 681} (( segid " " and resid 16 and name HN )) ( segid " " and resid 15 and name HG2%) 3.600 1.600 1.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.25006E-02 ppm1 8.234 ppm2 1.088 CV 1 OR { 681} (( segid " " and resid 50 and name HN )) ( segid " " and resid 48 and name HG2%) OR { 681} (( segid " " and resid 46 and name HN )) ( segid " " and resid 43 and name HD2%) OR { 681} (( segid " " and resid 16 and name HN )) ( segid " " and resid 48 and name HG2%) ASSI { 683} (( segid " " and resid 82 and name HN )) ( segid " " and resid 78 and name HG2%) 3.200 1.300 1.300 peak 683 spectrum 1 weight 0.10000E+01 volume 0.33528E-02 ppm1 8.285 ppm2 0.868 CV 1 OR { 683} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HG2%) OR { 683} (( segid " " and resid 78 and name HN )) ( segid " " and resid 60 and name HD1%) OR { 683} (( segid " " and resid 78 and name HN )) ( segid " " and resid 75 and name HD2%) ASSI { 686} (( segid " " and resid 16 and name HN )) (( segid " " and resid 12 and name HA )) 3.400 1.500 1.500 peak 686 spectrum 1 weight 0.10000E+01 volume 0.14064E-02 ppm1 8.238 ppm2 4.014 CV 1 ASSI { 688} (( segid " " and resid 8 and name HN )) ( segid " " and resid 7 and name HG2%) 3.400 1.500 1.500 peak 688 spectrum 1 weight 0.10000E+01 volume 0.13722E-02 ppm1 8.288 ppm2 1.401 CV 1 OR { 688} (( segid " " and resid 8 and name HN )) ( segid " " and resid 6 and name HG2%) OR { 688} (( segid " " and resid 78 and name HN )) ( segid " " and resid 65 and name HB% ) ASSI { 689} (( segid " " and resid 82 and name HN )) ( segid " " and resid 81 and name HB% ) 2.400 0.700 0.700 peak 689 spectrum 1 weight 0.10000E+01 volume 0.54377E-02 ppm1 8.295 ppm2 1.610 CV 1 OR { 689} (( segid " " and resid 82 and name HN )) ( segid " " and resid 83 and name HB% ) ASSI { 690} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HG )) 3.100 1.200 1.200 peak 690 spectrum 1 weight 0.10000E+01 volume 0.48583E-02 ppm1 8.295 ppm2 1.858 CV 1 OR { 690} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HG )) ASSI { 692} (( segid " " and resid 82 and name HN )) (( segid " " and resid 79 and name HB1 )) 4.800 2.800 1.200 peak 692 spectrum 1 weight 0.10000E+01 volume 0.66809E-03 ppm1 8.286 ppm2 3.070 CV 1 OR { 692} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HB1 )) OR { 692} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HB1 )) ASSI { 694} (( segid " " and resid 78 and name HN )) (( segid " " and resid 75 and name HA )) 3.000 1.100 1.100 peak 694 spectrum 1 weight 0.10000E+01 volume 0.14745E-02 ppm1 8.283 ppm2 3.879 CV 1 OR { 694} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) ASSI { 695} (( segid " " and resid 82 and name HN )) (( segid " " and resid 80 and name HA1 )) 4.400 2.400 1.600 peak 695 spectrum 1 weight 0.10000E+01 volume 0.56037E-03 ppm1 8.292 ppm2 4.031 CV 1 OR { 695} (( segid " " and resid 82 and name HN )) (( segid " " and resid 80 and name HA2 )) OR { 695} (( segid " " and resid 78 and name HN )) (( segid " " and resid 80 and name HA1 )) OR { 695} (( segid " " and resid 78 and name HN )) (( segid " " and resid 80 and name HA2 )) ASSI { 697} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB )) 2.700 0.900 0.900 peak 697 spectrum 1 weight 0.10000E+01 volume 0.38620E-02 ppm1 8.285 ppm2 4.308 CV 1 OR { 697} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA )) OR { 697} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HA )) ASSI { 698} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HA )) 3.400 1.500 1.500 peak 698 spectrum 1 weight 0.10000E+01 volume 0.11648E-02 ppm1 8.294 ppm2 4.462 CV 1 OR { 698} (( segid " " and resid 78 and name HN )) (( segid " " and resid 76 and name HA )) ASSI { 711} (( segid " " and resid 23 and name HN )) (( segid " " and resid 21 and name HA )) 3.700 1.700 1.700 peak 711 spectrum 1 weight 0.10000E+01 volume 0.33493E-03 ppm1 8.504 ppm2 4.510 CV 1 OR { 711} (( segid " " and resid 23 and name HN )) (( segid " " and resid 20 and name HA )) ASSI { 713} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB1 )) 2.700 0.900 0.900 peak 713 spectrum 1 weight 0.10000E+01 volume 0.55554E-02 ppm1 9.420 ppm2 1.584 CV 1 OR { 713} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG )) OR { 713} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB1 )) ASSI { 715} (( segid " " and resid 5 and name HN )) ( segid " " and resid 82 and name HD2%) 3.200 1.300 1.300 peak 715 spectrum 1 weight 0.10000E+01 volume 0.20149E-02 ppm1 9.420 ppm2 0.981 CV 1 OR { 715} (( segid " " and resid 5 and name HN )) ( segid " " and resid 4 and name HD2%) ASSI { 736} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HG2 )) 3.700 1.700 1.700 peak 736 spectrum 1 weight 0.10000E+01 volume 0.12136E-02 ppm1 8.156 ppm2 0.966 CV 1 OR { 736} (( segid " " and resid 56 and name HN )) ( segid " " and resid 58 and name HG1%) OR { 736} (( segid " " and resid 56 and name HN )) ( segid " " and resid 58 and name HG2%) OR { 736} (( segid " " and resid 56 and name HN )) ( segid " " and resid 82 and name HD1%) ASSI { 738} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 3.300 1.400 1.400 peak 738 spectrum 1 weight 0.10000E+01 volume 0.22812E-02 ppm1 8.156 ppm2 4.101 CV 1 OR { 738} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HA2 )) OR { 738} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HA1 )) ASSI { 745} (( segid " " and resid 66 and name HN )) (( segid " " and resid 63 and name HB1 )) 4.000 2.000 2.000 peak 745 spectrum 1 weight 0.10000E+01 volume 0.39705E-03 ppm1 8.014 ppm2 2.828 CV 1 OR { 745} (( segid " " and resid 66 and name HN )) (( segid " " and resid 62 and name HB1 )) ASSI { 748} (( segid " " and resid 66 and name HN )) ( segid " " and resid 64 and name HG1%) 4.200 2.300 1.800 peak 748 spectrum 1 weight 0.10000E+01 volume 0.40588E-03 ppm1 8.019 ppm2 0.995 CV 1 OR { 748} (( segid " " and resid 66 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 748} (( segid " " and resid 66 and name HN )) (( segid " " and resid 74 and name HG )) OR { 748} (( segid " " and resid 66 and name HN )) ( segid " " and resid 74 and name HD1%) ASSI { 772} (( segid " " and resid 76 and name HN )) ( segid " " and resid 77 and name HD1%) 4.600 2.600 1.400 peak 772 spectrum 1 weight 0.10000E+01 volume 0.58003E-03 ppm1 8.705 ppm2 0.982 CV 1 OR { 772} (( segid " " and resid 76 and name HN )) ( segid " " and resid 77 and name HD2%) OR { 772} (( segid " " and resid 76 and name HN )) ( segid " " and resid 74 and name HD1%) OR { 772} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HG )) OR { 772} (( segid " " and resid 3 and name HN )) ( segid " " and resid 4 and name HD2%) OR { 772} (( segid " " and resid 76 and name HN )) ( segid " " and resid 64 and name HG1%) ASSI { 773} (( segid " " and resid 76 and name HN )) ( segid " " and resid 75 and name HD2%) 4.000 2.000 2.000 peak 773 spectrum 1 weight 0.10000E+01 volume 0.11459E-02 ppm1 8.711 ppm2 0.869 CV 1 OR { 773} (( segid " " and resid 3 and name HN )) ( segid " " and resid 4 and name HD1%) OR { 773} (( segid " " and resid 76 and name HN )) ( segid " " and resid 78 and name HG2%) OR { 773} (( segid " " and resid 76 and name HN )) ( segid " " and resid 60 and name HD1%) ASSI { 774} (( segid " " and resid 3 and name HN )) ( segid " " and resid 2 and name HB% ) 3.200 1.300 1.300 peak 774 spectrum 1 weight 0.10000E+01 volume 0.19041E-02 ppm1 8.709 ppm2 1.678 CV 1 OR { 774} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HG )) ASSI { 778} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HB2 )) 4.600 2.600 1.400 peak 778 spectrum 1 weight 0.10000E+01 volume 0.45770E-03 ppm1 8.712 ppm2 1.920 CV 1 OR { 778} (( segid " " and resid 76 and name HN )) (( segid " " and resid 78 and name HB )) ASSI { 783} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 2.700 0.900 0.900 peak 783 spectrum 1 weight 0.10000E+01 volume 0.36862E-02 ppm1 8.697 ppm2 4.276 CV 1 OR { 783} (( segid " " and resid 76 and name HN )) (( segid " " and resid 73 and name HA )) OR { 783} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HA )) ASSI { 785} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB )) 3.200 1.300 1.300 peak 785 spectrum 1 weight 0.10000E+01 volume 0.15484E-02 ppm1 8.697 ppm2 4.205 CV 1 OR { 785} (( segid " " and resid 76 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 787} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HG11)) 4.700 2.800 1.300 peak 787 spectrum 1 weight 0.10000E+01 volume 0.71472E-03 ppm1 8.887 ppm2 1.719 CV 1 OR { 787} (( segid " " and resid 79 and name HN )) (( segid " " and resid 75 and name HG )) ASSI { 788} (( segid " " and resid 79 and name HN )) (( segid " " and resid 5 and name HB1 )) 4.300 2.400 1.700 peak 788 spectrum 1 weight 0.10000E+01 volume 0.57426E-03 ppm1 8.888 ppm2 1.608 CV 1 OR { 788} (( segid " " and resid 79 and name HN )) ( segid " " and resid 81 and name HB% ) OR { 788} (( segid " " and resid 79 and name HN )) ( segid " " and resid 83 and name HB% ) OR { 788} (( segid " " and resid 79 and name HN )) (( segid " " and resid 5 and name HG )) ASSI { 790} (( segid " " and resid 79 and name HN )) ( segid " " and resid 82 and name HD2%) 4.100 2.100 1.900 peak 790 spectrum 1 weight 0.10000E+01 volume 0.78678E-03 ppm1 8.885 ppm2 0.980 CV 1 OR { 790} (( segid " " and resid 79 and name HN )) ( segid " " and resid 82 and name HD1%) ASSI { 791} (( segid " " and resid 79 and name HN )) ( segid " " and resid 78 and name HG2%) 3.200 1.200 1.200 peak 791 spectrum 1 weight 0.10000E+01 volume 0.21563E-02 ppm1 8.886 ppm2 0.870 CV 1 OR { 791} (( segid " " and resid 79 and name HN )) ( segid " " and resid 4 and name HD1%) ASSI { 800} (( segid " " and resid 79 and name HN )) (( segid " " and resid 76 and name HA )) 3.600 1.600 1.600 peak 800 spectrum 1 weight 0.10000E+01 volume 0.77500E-03 ppm1 8.886 ppm2 4.486 CV 1 OR { 800} (( segid " " and resid 79 and name HN )) (( segid " " and resid 81 and name HA )) ASSI { 801} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HA )) 4.400 2.400 1.600 peak 801 spectrum 1 weight 0.10000E+01 volume 0.28495E-03 ppm1 8.889 ppm2 4.277 CV 1 OR { 801} (( segid " " and resid 79 and name HN )) (( segid " " and resid 83 and name HA )) ASSI { 821} (( segid " " and resid 43 and name HN )) (( segid " " and resid 46 and name HB1 )) 4.800 2.900 1.200 peak 821 spectrum 1 weight 0.10000E+01 volume 0.38124E-03 ppm1 7.797 ppm2 2.329 CV 1 OR { 821} (( segid " " and resid 43 and name HN )) (( segid " " and resid 46 and name HB2 )) OR { 821} (( segid " " and resid 43 and name HN )) (( segid " " and resid 47 and name HB1 )) ASSI { 3} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HN )) 3.200 1.300 1.300 peak 3 spectrum 1 weight 0.10000E+01 volume 0.26586E-02 ppm1 1.025 ppm2 8.245 CV 1 OR { 3} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 65 and name HN )) ASSI { 4} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 82 and name HN )) 3.400 1.500 1.500 peak 4 spectrum 1 weight 0.10000E+01 volume 0.24572E-02 ppm1 0.874 ppm2 8.284 CV 1 OR { 4} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HN )) ASSI { 10} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HN )) 2.700 0.900 0.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.28658E-02 ppm1 4.667 ppm2 7.727 CV 1 OR { 10} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HN )) ASSI { 17} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB1 )) 2.300 0.600 0.600 peak 17 spectrum 1 weight 0.10000E+01 volume 0.83955E-02 ppm1 4.241 ppm2 2.470 CV 1 OR { 17} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HG2 )) OR { 17} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG2 )) ASSI { 18} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB2 )) 2.400 0.700 0.700 peak 18 spectrum 1 weight 0.10000E+01 volume 0.91926E-02 ppm1 4.237 ppm2 2.202 CV 1 OR { 18} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB1 )) ASSI { 19} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB1 )) 2.700 0.900 0.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.47832E-02 ppm1 4.229 ppm2 2.339 CV 1 OR { 19} (( segid " " and resid 47 and name HA )) (( segid " " and resid 46 and name HB2 )) ASSI { 21} (( segid " " and resid 47 and name HA )) ( segid " " and resid 50 and name HB% ) 2.500 0.800 0.800 peak 21 spectrum 1 weight 0.10000E+01 volume 0.56638E-02 ppm1 4.230 ppm2 1.650 CV 1 OR { 21} (( segid " " and resid 73 and name HA )) (( segid " " and resid 72 and name HG1 )) OR { 21} (( segid " " and resid 51 and name HA )) ( segid " " and resid 50 and name HB% ) ASSI { 22} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HN )) 2.800 0.900 0.900 peak 22 spectrum 1 weight 0.10000E+01 volume 0.30652E-02 ppm1 4.230 ppm2 8.516 CV 1 OR { 22} (( segid " " and resid 16 and name HA )) (( segid " " and resid 15 and name HN )) ASSI { 23} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HN )) 2.600 0.800 0.800 peak 23 spectrum 1 weight 0.10000E+01 volume 0.45924E-02 ppm1 4.246 ppm2 8.133 CV 1 OR { 23} (( segid " " and resid 51 and name HA )) (( segid " " and resid 55 and name HN )) ASSI { 28} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 78 and name HD1%) 2.300 0.700 0.700 peak 28 spectrum 1 weight 0.10000E+01 volume 0.47715E-02 ppm1 1.729 ppm2 0.803 CV 1 OR { 28} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 75 and name HD1%) ASSI { 29} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 78 and name HG2%) 2.400 0.700 0.700 peak 29 spectrum 1 weight 0.10000E+01 volume 0.44482E-02 ppm1 1.727 ppm2 0.854 CV 1 OR { 29} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 75 and name HD2%) OR { 29} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 60 and name HD1%) ASSI { 31} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 74 and name HD2%) 3.100 1.200 1.200 peak 31 spectrum 1 weight 0.10000E+01 volume 0.13897E-02 ppm1 1.732 ppm2 1.064 CV 1 OR { 31} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 10 and name HD1%) ASSI { 32} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 74 and name HD1%) 3.400 1.500 1.500 peak 32 spectrum 1 weight 0.10000E+01 volume 0.12504E-02 ppm1 1.732 ppm2 0.988 CV 1 OR { 32} (( segid " " and resid 78 and name HG11)) (( segid " " and resid 74 and name HG )) OR { 32} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 82 and name HD2%) ASSI { 33} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 78 and name HD1%) 2.300 0.700 0.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.51224E-02 ppm1 1.292 ppm2 0.805 CV 1 OR { 33} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 75 and name HD1%) ASSI { 34} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 78 and name HG2%) 2.900 1.100 1.100 peak 34 spectrum 1 weight 0.10000E+01 volume 0.48550E-02 ppm1 1.292 ppm2 0.855 CV 1 OR { 34} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 60 and name HD1%) OR { 34} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 75 and name HD2%) ASSI { 36} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 74 and name HD1%) 3.400 1.400 1.400 peak 36 spectrum 1 weight 0.10000E+01 volume 0.11095E-02 ppm1 1.292 ppm2 0.988 CV 1 OR { 36} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 74 and name HG )) OR { 36} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 60 and name HG2%) OR { 36} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 82 and name HD2%) ASSI { 37} (( segid " " and resid 78 and name HG11)) (( segid " " and resid 78 and name HB )) 2.600 0.800 0.800 peak 37 spectrum 1 weight 0.10000E+01 volume 0.22913E-02 ppm1 1.729 ppm2 1.940 CV 1 OR { 37} (( segid " " and resid 78 and name HG11)) (( segid " " and resid 77 and name HB2 )) ASSI { 38} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 78 and name HB )) 2.500 0.800 0.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.22913E-02 ppm1 1.295 ppm2 1.939 CV 1 OR { 38} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 77 and name HB2 )) ASSI { 51} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 13 and name HN )) 2.900 1.000 1.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.23237E-02 ppm1 2.030 ppm2 7.703 CV 1 OR { 51} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 13 and name HN )) OR { 51} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 13 and name HN )) ASSI { 56} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HD2 )) 2.700 0.900 0.900 peak 56 spectrum 1 weight 0.10000E+01 volume 0.31199E-02 ppm1 2.036 ppm2 3.307 CV 1 OR { 56} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HD2 )) OR { 56} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HD2 )) ASSI { 59} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HG2 )) 2.400 0.700 0.700 peak 59 spectrum 1 weight 0.10000E+01 volume 0.70881E-02 ppm1 2.031 ppm2 1.692 CV 1 OR { 59} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HG2 )) OR { 59} (( segid " " and resid 12 and name HB2 )) ( segid " " and resid 13 and name HB% ) OR { 59} (( segid " " and resid 51 and name HB2 )) ( segid " " and resid 50 and name HB% ) OR { 59} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 12 and name HG2 )) ASSI { 60} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HG2 )) 2.600 0.900 0.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.31828E-02 ppm1 2.037 ppm2 1.124 CV 1 OR { 60} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HG2 )) OR { 60} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 15 and name HG2%) OR { 60} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 15 and name HG2%) OR { 60} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 11 and name HG2 )) OR { 60} (( segid " " and resid 51 and name HB2 )) ( segid " " and resid 48 and name HG2%) ASSI { 62} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HG1 )) 2.600 0.800 0.800 peak 62 spectrum 1 weight 0.10000E+01 volume 0.31430E-02 ppm1 2.039 ppm2 1.389 CV 1 OR { 62} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HG1 )) OR { 62} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 7 and name HG2%) ASSI { 69} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HN )) 2.800 1.000 1.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.18792E-02 ppm1 1.864 ppm2 8.481 CV 1 OR { 69} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 35 and name HN )) ASSI { 71} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 30 and name HE% ) 3.000 1.100 1.100 peak 71 spectrum 1 weight 0.10000E+01 volume 0.13828E-02 ppm1 2.054 ppm2 7.209 CV 1 OR { 71} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HE )) OR { 71} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 30 and name HE% ) OR { 71} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HE )) ASSI { 100} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HA )) 2.700 0.900 0.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.41619E-02 ppm1 2.131 ppm2 4.358 CV 1 OR { 100} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HA )) ASSI { 102} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HA )) 2.600 0.800 0.800 peak 102 spectrum 1 weight 0.10000E+01 volume 0.40823E-02 ppm1 2.264 ppm2 4.356 CV 1 OR { 102} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HA )) ASSI { 106} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HA )) 2.600 0.800 0.800 peak 106 spectrum 1 weight 0.10000E+01 volume 0.26347E-02 ppm1 2.495 ppm2 4.105 CV 1 OR { 106} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 54 and name HB2 )) OR { 106} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 54 and name HB1 )) ASSI { 107} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HA )) 3.000 1.100 1.100 peak 107 spectrum 1 weight 0.10000E+01 volume 0.24193E-02 ppm1 2.362 ppm2 4.106 CV 1 OR { 107} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 54 and name HB2 )) OR { 107} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 54 and name HB1 )) ASSI { 109} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 50 and name HA )) 4.000 2.000 2.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.14831E-02 ppm1 2.497 ppm2 4.269 CV 1 OR { 109} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 51 and name HA )) ASSI { 110} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 44 and name HA )) 2.800 1.000 1.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.30631E-02 ppm1 2.348 ppm2 4.289 CV 1 OR { 110} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 43 and name HA )) ASSI { 112} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HA )) 2.800 1.000 1.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.20488E-02 ppm1 2.046 ppm2 4.237 CV 1 OR { 112} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 50 and name HA )) ASSI { 118} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HB1 )) 1.800 0.400 0.400 peak 118 spectrum 1 weight 0.10000E+01 volume 0.11617E-01 ppm1 2.355 ppm2 2.470 CV 1 OR { 118} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HG2 )) ASSI { 121} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HG1 )) 2.600 0.900 0.900 peak 121 spectrum 1 weight 0.10000E+01 volume 0.36021E-02 ppm1 2.212 ppm2 2.597 CV 1 OR { 121} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HG1 )) ASSI { 126} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HD1 )) 3.700 1.700 1.700 peak 126 spectrum 1 weight 0.10000E+01 volume 0.71256E-03 ppm1 1.867 ppm2 3.486 CV 1 OR { 126} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 56 and name HB1 )) ASSI { 132} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HD2 )) 3.000 1.100 1.100 peak 132 spectrum 1 weight 0.10000E+01 volume 0.15421E-02 ppm1 1.887 ppm2 3.016 CV 1 OR { 132} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HD2 )) ASSI { 133} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HD2 )) 2.900 1.000 1.000 peak 133 spectrum 1 weight 0.10000E+01 volume 0.17451E-02 ppm1 1.604 ppm2 3.015 CV 1 OR { 133} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HD2 )) ASSI { 140} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HB2 )) 1.600 0.300 0.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.12995E-01 ppm1 1.894 ppm2 1.606 CV 1 OR { 140} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HB2 )) ASSI { 147} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 35 and name HN )) 2.900 1.000 1.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.14251E-02 ppm1 2.198 ppm2 8.420 CV 1 OR { 147} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 52 and name HN )) ASSI { 148} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 52 and name HN )) 3.900 1.900 1.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.11086E-02 ppm1 2.043 ppm2 8.415 CV 1 OR { 148} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 14 and name HN )) OR { 148} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 14 and name HN )) OR { 148} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 14 and name HN )) ASSI { 152} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 48 and name HA )) 3.400 1.500 1.500 peak 152 spectrum 1 weight 0.10000E+01 volume 0.68178E-03 ppm1 2.203 ppm2 3.956 CV 1 OR { 152} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 49 and name HA )) ASSI { 171} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HB1 )) 1.600 0.300 0.600 peak 171 spectrum 1 weight 0.10000E+01 volume 0.23718E-01 ppm1 2.274 ppm2 2.469 CV 1 OR { 171} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HG2 )) OR { 171} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HG2 )) ASSI { 177} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HD2 )) 3.400 1.500 1.500 peak 177 spectrum 1 weight 0.10000E+01 volume 0.78495E-03 ppm1 2.169 ppm2 3.334 CV 1 OR { 177} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HD2 )) ASSI { 182} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 35 and name HN )) 3.000 1.100 1.100 peak 182 spectrum 1 weight 0.10000E+01 volume 0.15102E-02 ppm1 2.166 ppm2 8.475 CV 1 OR { 182} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HN )) ASSI { 193} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HN )) 2.500 0.800 0.800 peak 193 spectrum 1 weight 0.10000E+01 volume 0.40875E-02 ppm1 2.290 ppm2 8.242 CV 1 OR { 193} (( segid " " and resid 15 and name HB )) (( segid " " and resid 16 and name HN )) OR { 193} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HN )) ASSI { 202} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 30 and name HE% ) 3.000 1.100 1.100 peak 202 spectrum 1 weight 0.10000E+01 volume 0.11698E-02 ppm1 2.261 ppm2 7.207 CV 1 OR { 202} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 33 and name HN )) ASSI { 206} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HD1 )) 3.800 1.800 1.800 peak 206 spectrum 1 weight 0.10000E+01 volume 0.13483E-02 ppm1 2.049 ppm2 4.017 CV 1 OR { 206} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HD1 )) ASSI { 209} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HD1 )) 4.400 2.400 1.600 peak 209 spectrum 1 weight 0.10000E+01 volume 0.61770E-03 ppm1 2.224 ppm2 4.002 CV 1 OR { 209} (( segid " " and resid 64 and name HB )) (( segid " " and resid 65 and name HA )) OR { 209} (( segid " " and resid 64 and name HB )) (( segid " " and resid 61 and name HD1 )) ASSI { 215} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 43 and name HA )) 2.800 0.900 0.900 peak 215 spectrum 1 weight 0.10000E+01 volume 0.24140E-02 ppm1 2.840 ppm2 4.264 CV 1 OR { 215} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HA )) OR { 215} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 47 and name HA )) ASSI { 216} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 43 and name HA )) 2.800 1.000 1.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.23922E-02 ppm1 2.761 ppm2 4.264 CV 1 OR { 216} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HA )) ASSI { 221} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HG1 )) 2.400 0.700 0.700 peak 221 spectrum 1 weight 0.10000E+01 volume 0.71678E-02 ppm1 2.311 ppm2 2.831 CV 1 OR { 221} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HG1 )) ASSI { 222} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HG2 )) 2.300 0.700 0.700 peak 222 spectrum 1 weight 0.10000E+01 volume 0.58566E-02 ppm1 2.311 ppm2 2.752 CV 1 OR { 222} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HG2 )) ASSI { 225} (( segid " " and resid 46 and name HB1 )) ( segid " " and resid 42 and name H31%) 3.700 1.700 1.700 peak 225 spectrum 1 weight 0.10000E+01 volume 0.14037E-02 ppm1 2.334 ppm2 1.043 CV 1 OR { 225} (( segid " " and resid 46 and name HB2 )) ( segid " " and resid 42 and name H31%) OR { 225} (( segid " " and resid 46 and name HB1 )) ( segid " " and resid 43 and name HD2%) OR { 225} (( segid " " and resid 46 and name HB2 )) ( segid " " and resid 43 and name HD2%) ASSI { 251} (( segid " " and resid 61 and name HB2 )) ( segid " " and resid 64 and name HG2%) 2.600 0.900 0.900 peak 251 spectrum 1 weight 0.10000E+01 volume 0.26283E-02 ppm1 2.056 ppm2 1.024 CV 1 OR { 251} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 31 and name HB2 )) OR { 251} (( segid " " and resid 61 and name HB2 )) ( segid " " and resid 64 and name HG1%) ASSI { 275} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 78 and name HD1%) 3.600 1.700 1.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.12100E-02 ppm1 2.750 ppm2 0.830 CV 1 OR { 275} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 60 and name HD1%) OR { 275} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 52 and name HD1%) OR { 275} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 78 and name HG2%) ASSI { 276} (( segid " " and resid 53 and name HG2 )) ( segid " " and resid 60 and name HD1%) 3.500 1.500 1.500 peak 276 spectrum 1 weight 0.10000E+01 volume 0.10181E-02 ppm1 2.318 ppm2 0.830 CV 1 OR { 276} (( segid " " and resid 53 and name HG2 )) ( segid " " and resid 78 and name HD1%) OR { 276} (( segid " " and resid 53 and name HG2 )) ( segid " " and resid 78 and name HG2%) ASSI { 289} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HA )) 2.800 2.800 3.200 peak 289 spectrum 1 weight 0.10000E+01 volume 0.10185E-02 ppm1 0.801 ppm2 4.305 CV 1 OR { 289} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 74 and name HA )) OR { 289} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 77 and name HA )) OR { 289} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 50 and name HA )) ASSI { 291} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HA )) 4.100 2.100 1.900 peak 291 spectrum 1 weight 0.10000E+01 volume 0.16415E-02 ppm1 0.853 ppm2 4.655 CV 1 OR { 291} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HA )) ASSI { 292} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 77 and name HA )) 3.800 1.800 1.800 peak 292 spectrum 1 weight 0.10000E+01 volume 0.10093E-02 ppm1 0.856 ppm2 4.274 CV 1 OR { 292} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 74 and name HA )) OR { 292} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 39 and name HA1 )) OR { 292} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 50 and name HA )) ASSI { 293} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HN )) 4.300 2.300 1.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.11891E-02 ppm1 0.878 ppm2 7.720 CV 1 OR { 293} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 39 and name HN )) ASSI { 296} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 40 and name HD% ) 3.100 1.200 1.200 peak 296 spectrum 1 weight 0.10000E+01 volume 0.29180E-02 ppm1 0.880 ppm2 6.961 CV 1 OR { 296} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 35 and name HE% ) ASSI { 298} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HN )) 3.800 1.800 1.800 peak 298 spectrum 1 weight 0.10000E+01 volume 0.14021E-02 ppm1 0.847 ppm2 8.248 CV 1 OR { 298} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 65 and name HN )) OR { 298} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 82 and name HN )) ASSI { 300} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 30 and name HE% ) 2.600 2.600 3.400 peak 300 spectrum 1 weight 0.10000E+01 volume 0.13885E-02 ppm1 0.879 ppm2 7.198 CV 1 OR { 300} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 33 and name HN )) ASSI { 301} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 65 and name HA )) 3.200 1.300 1.300 peak 301 spectrum 1 weight 0.10000E+01 volume 0.23759E-02 ppm1 0.851 ppm2 3.958 CV 1 OR { 301} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 49 and name HA )) ASSI { 303} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 40 and name HB2 )) 3.800 1.800 1.800 peak 303 spectrum 1 weight 0.10000E+01 volume 0.84326E-03 ppm1 0.873 ppm2 2.777 CV 1 OR { 303} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 53 and name HG1 )) OR { 303} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 56 and name HB2 )) ASSI { 304} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 53 and name HG1 )) 3.700 1.700 1.700 peak 304 spectrum 1 weight 0.10000E+01 volume 0.11884E-02 ppm1 0.851 ppm2 2.751 CV 1 OR { 304} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 76 and name HB1 )) OR { 304} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 79 and name HB2 )) OR { 304} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 76 and name HB2 )) ASSI { 309} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 77 and name HB1 )) 2.600 2.600 3.400 peak 309 spectrum 1 weight 0.10000E+01 volume 0.13749E-02 ppm1 0.798 ppm2 2.038 CV 1 OR { 309} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HG )) OR { 309} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 82 and name HB1 )) ASSI { 310} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HB )) 2.800 1.000 1.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.46402E-02 ppm1 0.799 ppm2 1.935 CV 1 OR { 310} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 77 and name HB2 )) ASSI { 312} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 49 and name HB% ) 3.000 1.200 1.200 peak 312 spectrum 1 weight 0.10000E+01 volume 0.30905E-02 ppm1 0.797 ppm2 1.518 CV 1 OR { 312} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 60 and name HG11)) ASSI { 313} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HB2 )) 2.600 0.900 0.900 peak 313 spectrum 1 weight 0.10000E+01 volume 0.34287E-02 ppm1 0.797 ppm2 1.426 CV 1 OR { 313} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 65 and name HB% ) ASSI { 315} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 77 and name HG )) 2.700 2.700 3.300 peak 315 spectrum 1 weight 0.10000E+01 volume 0.12274E-02 ppm1 0.796 ppm2 1.842 CV 1 OR { 315} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 82 and name HG )) ASSI { 323} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HG11)) 2.100 0.500 0.500 peak 323 spectrum 1 weight 0.10000E+01 volume 0.10222E-01 ppm1 0.873 ppm2 1.811 CV 1 OR { 323} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HB )) OR { 323} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 33 and name HG )) ASSI { 324} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HG12)) 2.000 0.500 0.500 peak 324 spectrum 1 weight 0.10000E+01 volume 0.99352E-02 ppm1 0.872 ppm2 1.536 CV 1 OR { 324} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 49 and name HB% ) ASSI { 327} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 10 and name HA )) 3.700 1.700 1.700 peak 327 spectrum 1 weight 0.10000E+01 volume 0.86578E-03 ppm1 0.620 ppm2 4.216 CV 1 OR { 327} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 10 and name HA )) OR { 327} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 82 and name HA )) ASSI { 328} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 75 and name HA )) 3.800 1.800 1.800 peak 328 spectrum 1 weight 0.10000E+01 volume 0.20545E-02 ppm1 0.619 ppm2 3.886 CV 1 OR { 328} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 7 and name HA )) OR { 328} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 75 and name HA )) ASSI { 329} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 4 and name HA )) 4.300 2.300 1.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.75802E-03 ppm1 0.667 ppm2 4.354 CV 1 OR { 329} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 52 and name HA )) ASSI { 330} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 10 and name HA )) 3.400 1.500 1.500 peak 330 spectrum 1 weight 0.10000E+01 volume 0.10865E-02 ppm1 0.667 ppm2 4.217 CV 1 OR { 330} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 82 and name HA )) ASSI { 332} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 4 and name HA )) 4.600 2.600 1.400 peak 332 spectrum 1 weight 0.10000E+01 volume 0.50549E-03 ppm1 0.620 ppm2 4.343 CV 1 OR { 332} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 4 and name HA )) OR { 332} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 52 and name HA )) OR { 332} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 52 and name HA )) ASSI { 346} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 78 and name HB )) 3.300 1.400 1.400 peak 346 spectrum 1 weight 0.10000E+01 volume 0.16959E-02 ppm1 0.618 ppm2 1.935 CV 1 OR { 346} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 78 and name HB )) OR { 346} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 10 and name HG )) OR { 346} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 10 and name HG )) ASSI { 348} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 78 and name HG11)) 3.500 1.500 1.500 peak 348 spectrum 1 weight 0.10000E+01 volume 0.17245E-02 ppm1 0.619 ppm2 1.692 CV 1 OR { 348} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 75 and name HG )) OR { 348} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 75 and name HG )) OR { 348} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 4 and name HG )) OR { 348} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 4 and name HG )) OR { 348} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 78 and name HG11)) ASSI { 349} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 75 and name HG )) 4.200 2.200 1.800 peak 349 spectrum 1 weight 0.10000E+01 volume 0.67559E-03 ppm1 0.663 ppm2 1.686 CV 1 OR { 349} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 75 and name HG )) OR { 349} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 4 and name HG )) OR { 349} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 4 and name HG )) OR { 349} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 13 and name HB% ) ASSI { 352} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 6 and name HG2%) 3.900 1.900 1.900 peak 352 spectrum 1 weight 0.10000E+01 volume 0.11033E-02 ppm1 0.620 ppm2 1.406 CV 1 OR { 352} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 6 and name HG2%) OR { 352} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 52 and name HB2 )) OR { 352} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 7 and name HG2%) OR { 352} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 52 and name HB2 )) ASSI { 360} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 78 and name HG2%) 2.400 0.700 0.700 peak 360 spectrum 1 weight 0.10000E+01 volume 0.67095E-02 ppm1 0.620 ppm2 0.866 CV 1 OR { 360} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 75 and name HD2%) OR { 360} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 75 and name HD2%) OR { 360} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 78 and name HG2%) ASSI { 361} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 75 and name HD2%) 3.100 1.200 1.200 peak 361 spectrum 1 weight 0.10000E+01 volume 0.42349E-02 ppm1 0.665 ppm2 0.871 CV 1 OR { 361} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 78 and name HG2%) OR { 361} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 4 and name HD1%) ASSI { 362} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 10 and name HD1%) 2.700 0.900 0.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.73808E-02 ppm1 0.619 ppm2 1.038 CV 1 OR { 362} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 10 and name HD1%) OR { 362} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 52 and name HD2%) OR { 362} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 52 and name HD2%) OR { 362} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 74 and name HD1%) ASSI { 363} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 82 and name HD2%) 2.500 0.800 0.800 peak 363 spectrum 1 weight 0.10000E+01 volume 0.70252E-02 ppm1 0.664 ppm2 1.021 CV 1 OR { 363} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 10 and name HD1%) OR { 363} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 82 and name HD2%) OR { 363} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 10 and name HD1%) OR { 363} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 82 and name HD1%) OR { 363} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 52 and name HD2%) OR { 363} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 52 and name HD2%) ASSI { 364} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 72 and name HA )) 3.400 1.400 1.400 peak 364 spectrum 1 weight 0.10000E+01 volume 0.13980E-02 ppm1 0.879 ppm2 3.606 CV 1 OR { 364} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 35 and name HB1 )) ASSI { 366} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 74 and name HN )) 3.700 1.700 1.700 peak 366 spectrum 1 weight 0.10000E+01 volume 0.18633E-02 ppm1 0.879 ppm2 7.672 CV 1 OR { 366} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 79 and name HD22)) OR { 366} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 13 and name HN )) ASSI { 367} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HN )) 2.600 0.900 0.900 peak 367 spectrum 1 weight 0.10000E+01 volume 0.28540E-02 ppm1 0.879 ppm2 8.725 CV 1 OR { 367} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 76 and name HN )) ASSI { 368} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 14 and name HN )) 4.100 2.100 1.900 peak 368 spectrum 1 weight 0.10000E+01 volume 0.15684E-02 ppm1 0.904 ppm2 8.416 CV 1 OR { 368} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 35 and name HN )) ASSI { 371} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 76 and name HA )) 4.500 2.500 1.500 peak 371 spectrum 1 weight 0.10000E+01 volume 0.58904E-03 ppm1 0.878 ppm2 4.494 CV 1 OR { 371} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 5 and name HA )) ASSI { 372} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HA )) 2.400 0.700 0.700 peak 372 spectrum 1 weight 0.10000E+01 volume 0.43662E-02 ppm1 0.880 ppm2 3.884 CV 1 OR { 372} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 7 and name HA )) ASSI { 373} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HB1 )) 2.500 0.800 0.800 peak 373 spectrum 1 weight 0.10000E+01 volume 0.11542E-01 ppm1 0.874 ppm2 2.202 CV 1 OR { 373} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 71 and name HG1 )) OR { 373} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 71 and name HB1 )) ASSI { 374} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HG )) 1.800 0.400 0.400 peak 374 spectrum 1 weight 0.10000E+01 volume 0.25532E-01 ppm1 0.878 ppm2 1.688 CV 1 OR { 374} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 74 and name HB2 )) ASSI { 375} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 10 and name HB2 )) 2.100 0.500 0.500 peak 375 spectrum 1 weight 0.10000E+01 volume 0.11298E-01 ppm1 0.879 ppm2 1.553 CV 1 OR { 375} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HB2 )) OR { 375} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 26 and name HG )) OR { 375} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 18 and name HB% ) ASSI { 378} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HA )) 3.800 1.800 1.800 peak 378 spectrum 1 weight 0.10000E+01 volume 0.18117E-02 ppm1 0.803 ppm2 4.364 CV 1 OR { 378} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 18 and name HA )) ASSI { 382} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 14 and name HA )) 4.000 2.000 2.000 peak 382 spectrum 1 weight 0.10000E+01 volume 0.13709E-02 ppm1 0.903 ppm2 4.394 CV 1 OR { 382} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 35 and name HA )) OR { 382} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 26 and name HA )) ASSI { 388} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 30 and name HD% ) 3.200 1.300 1.300 peak 388 spectrum 1 weight 0.10000E+01 volume 0.18952E-02 ppm1 0.895 ppm2 7.323 CV 1 OR { 388} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 30 and name HZ )) OR { 388} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 79 and name HD21)) ASSI { 390} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 15 and name HN )) 3.400 1.500 1.500 peak 390 spectrum 1 weight 0.10000E+01 volume 0.20494E-02 ppm1 0.802 ppm2 8.487 CV 1 OR { 390} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HN )) ASSI { 393} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 35 and name HE% ) 4.900 3.000 1.100 peak 393 spectrum 1 weight 0.10000E+01 volume 0.46340E-03 ppm1 0.801 ppm2 6.958 CV 1 OR { 393} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 40 and name HD% ) ASSI { 408} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HA )) 3.700 1.700 1.700 peak 408 spectrum 1 weight 0.10000E+01 volume 0.21951E-02 ppm1 0.983 ppm2 4.221 CV 1 OR { 408} (( segid " " and resid 74 and name HG )) (( segid " " and resid 71 and name HA )) ASSI { 413} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 79 and name HD22)) 4.400 2.400 1.600 peak 413 spectrum 1 weight 0.10000E+01 volume 0.62319E-03 ppm1 0.984 ppm2 7.704 CV 1 OR { 413} (( segid " " and resid 74 and name HG )) (( segid " " and resid 74 and name HN )) ASSI { 415} (( segid " " and resid 74 and name HG )) (( segid " " and resid 75 and name HN )) 4.600 2.600 1.400 peak 415 spectrum 1 weight 0.10000E+01 volume 0.51717E-03 ppm1 0.985 ppm2 8.733 CV 1 OR { 415} (( segid " " and resid 74 and name HG )) (( segid " " and resid 76 and name HN )) ASSI { 417} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 35 and name HE% ) 3.800 1.800 1.800 peak 417 spectrum 1 weight 0.10000E+01 volume 0.14279E-02 ppm1 1.347 ppm2 6.923 CV 1 OR { 417} (( segid " " and resid 45 and name HG )) ( segid " " and resid 35 and name HE% ) ASSI { 419} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HN )) 3.800 1.800 1.800 peak 419 spectrum 1 weight 0.10000E+01 volume 0.12573E-02 ppm1 1.358 ppm2 8.115 CV 1 OR { 419} (( segid " " and resid 45 and name HG )) (( segid " " and resid 44 and name HN )) ASSI { 421} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 30 and name HE% ) 3.500 1.500 1.500 peak 421 spectrum 1 weight 0.10000E+01 volume 0.59828E-03 ppm1 1.346 ppm2 7.205 CV 1 OR { 421} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 33 and name HN )) ASSI { 422} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HA )) 2.800 1.000 1.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.26507E-02 ppm1 1.356 ppm2 4.099 CV 1 OR { 422} (( segid " " and resid 45 and name HG )) (( segid " " and resid 66 and name HA1 )) ASSI { 423} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HA )) 3.800 1.800 1.800 peak 423 spectrum 1 weight 0.10000E+01 volume 0.11586E-02 ppm1 1.365 ppm2 3.902 CV 1 OR { 423} (( segid " " and resid 45 and name HG )) (( segid " " and resid 66 and name HA2 )) ASSI { 424} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HA )) 3.700 1.700 1.700 peak 424 spectrum 1 weight 0.10000E+01 volume 0.17377E-02 ppm1 1.360 ppm2 4.241 CV 1 OR { 424} (( segid " " and resid 45 and name HG )) (( segid " " and resid 42 and name HA )) OR { 424} (( segid " " and resid 45 and name HG )) (( segid " " and resid 46 and name HA )) ASSI { 428} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HD2 )) 2.800 1.000 1.000 peak 428 spectrum 1 weight 0.10000E+01 volume 0.25324E-02 ppm1 1.355 ppm2 3.016 CV 1 OR { 428} (( segid " " and resid 45 and name HG )) (( segid " " and resid 40 and name HB1 )) ASSI { 430} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HD2 )) 2.800 1.000 1.000 peak 430 spectrum 1 weight 0.10000E+01 volume 0.12028E-02 ppm1 1.351 ppm2 2.791 CV 1 OR { 430} (( segid " " and resid 45 and name HG )) (( segid " " and resid 40 and name HB2 )) ASSI { 438} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 26 and name HA )) 3.200 1.300 1.300 peak 438 spectrum 1 weight 0.10000E+01 volume 0.13943E-02 ppm1 1.073 ppm2 4.360 CV 1 OR { 438} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 35 and name HA )) ASSI { 441} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HN )) 4.200 2.200 1.800 peak 441 spectrum 1 weight 0.10000E+01 volume 0.12576E-02 ppm1 1.071 ppm2 7.216 CV 1 OR { 441} ( segid " " and resid 33 and name HD2%) ( segid " " and resid 30 and name HE% ) ASSI { 443} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 26 and name HN )) 4.200 2.200 1.800 peak 443 spectrum 1 weight 0.10000E+01 volume 0.51379E-03 ppm1 1.072 ppm2 8.483 CV 1 OR { 443} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 34 and name HN )) ASSI { 446} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 65 and name HN )) 3.400 1.500 1.500 peak 446 spectrum 1 weight 0.10000E+01 volume 0.11254E-02 ppm1 0.964 ppm2 8.265 CV 1 OR { 446} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 78 and name HN )) ASSI { 455} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 14 and name HN )) 3.400 1.500 1.500 peak 455 spectrum 1 weight 0.10000E+01 volume 0.23297E-02 ppm1 1.046 ppm2 8.417 CV 1 OR { 455} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 52 and name HN )) ASSI { 460} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 57 and name HA1 )) 3.300 1.400 1.400 peak 460 spectrum 1 weight 0.10000E+01 volume 0.34818E-03 ppm1 0.989 ppm2 4.109 CV 1 OR { 460} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 57 and name HA2 )) OR { 460} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 53 and name HA )) ASSI { 463} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 42 and name H28B)) 3.300 1.300 1.300 peak 463 spectrum 1 weight 0.10000E+01 volume 0.83284E-03 ppm1 1.014 ppm2 3.914 CV 1 OR { 463} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 42 and name H28A)) OR { 463} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 42 and name H28B)) OR { 463} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 45 and name HA )) OR { 463} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 66 and name HA2 )) ASSI { 466} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 65 and name HA )) 4.100 2.100 1.900 peak 466 spectrum 1 weight 0.10000E+01 volume 0.63126E-03 ppm1 0.199 ppm2 3.982 CV 1 OR { 466} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 48 and name HA )) ASSI { 467} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 48 and name HB )) 3.500 1.600 1.600 peak 467 spectrum 1 weight 0.10000E+01 volume 0.96650E-03 ppm1 0.369 ppm2 4.388 CV 1 OR { 467} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 14 and name HA )) ASSI { 468} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 46 and name HA )) 3.400 1.400 1.400 peak 468 spectrum 1 weight 0.10000E+01 volume 0.20586E-02 ppm1 0.371 ppm2 4.259 CV 1 OR { 468} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 71 and name HA )) OR { 468} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 43 and name HA )) OR { 468} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 47 and name HA )) ASSI { 470} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 46 and name HA )) 3.500 1.600 1.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.11441E-02 ppm1 0.198 ppm2 4.259 CV 1 OR { 470} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 42 and name HA )) OR { 470} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 71 and name HA )) ASSI { 473} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 48 and name HA )) 4.400 2.400 1.600 peak 473 spectrum 1 weight 0.10000E+01 volume 0.71012E-03 ppm1 0.370 ppm2 3.982 CV 1 OR { 473} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 65 and name HA )) ASSI { 479} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 46 and name HG1 )) 4.400 2.400 1.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.10509E-02 ppm1 0.198 ppm2 2.789 CV 1 OR { 479} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 46 and name HG2 )) OR { 479} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 40 and name HB2 )) ASSI { 485} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HB2 )) 2.800 1.000 1.000 peak 485 spectrum 1 weight 0.10000E+01 volume 0.57754E-02 ppm1 0.200 ppm2 1.533 CV 1 OR { 485} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 49 and name HB% ) ASSI { 493} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 48 and name HG2%) 3.000 1.100 1.100 peak 493 spectrum 1 weight 0.10000E+01 volume 0.30641E-02 ppm1 0.372 ppm2 1.092 CV 1 OR { 493} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 10 and name HD2%) ASSI { 494} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 48 and name HG2%) 3.100 1.200 1.200 peak 494 spectrum 1 weight 0.10000E+01 volume 0.26399E-02 ppm1 0.198 ppm2 1.095 CV 1 ASSI { 495} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 52 and name HD1%) 3.300 1.400 1.400 peak 495 spectrum 1 weight 0.10000E+01 volume 0.15149E-02 ppm1 0.195 ppm2 0.877 CV 1 OR { 495} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 14 and name HD2%) OR { 495} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 75 and name HD2%) OR { 495} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 60 and name HD1%) ASSI { 496} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 38 and name HD1%) 3.300 1.300 1.300 peak 496 spectrum 1 weight 0.10000E+01 volume 0.58721E-03 ppm1 0.377 ppm2 0.868 CV 1 OR { 496} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 14 and name HD2%) OR { 496} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 52 and name HD1%) OR { 496} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 75 and name HD2%) ASSI { 502} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 35 and name HE% ) 3.300 1.400 1.400 peak 502 spectrum 1 weight 0.10000E+01 volume 0.25072E-02 ppm1 0.200 ppm2 6.950 CV 1 OR { 502} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 40 and name HD% ) ASSI { 507} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 30 and name HE% ) 3.500 1.500 1.500 peak 507 spectrum 1 weight 0.10000E+01 volume 0.21847E-02 ppm1 0.449 ppm2 7.210 CV 1 OR { 507} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 33 and name HN )) ASSI { 510} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 46 and name HN )) 4.500 2.500 1.500 peak 510 spectrum 1 weight 0.10000E+01 volume 0.40504E-03 ppm1 0.198 ppm2 8.246 CV 1 OR { 510} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 65 and name HN )) ASSI { 514} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 75 and name HN )) 4.500 2.500 1.500 peak 514 spectrum 1 weight 0.10000E+01 volume 0.37173E-03 ppm1 0.451 ppm2 8.726 CV 1 OR { 514} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 76 and name HN )) ASSI { 515} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HH11)) 4.900 3.000 1.100 peak 515 spectrum 1 weight 0.10000E+01 volume 0.65303E-03 ppm1 0.451 ppm2 6.917 CV 1 OR { 515} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 35 and name HE% ) OR { 515} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 35 and name HZ )) OR { 515} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HH21)) OR { 515} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HH12)) ASSI { 516} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 40 and name HD% ) 4.400 2.400 1.600 peak 516 spectrum 1 weight 0.10000E+01 volume 0.60138E-03 ppm1 0.699 ppm2 6.957 CV 1 OR { 516} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 35 and name HE% ) ASSI { 518} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 30 and name HE% ) 4.000 2.000 2.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.77097E-03 ppm1 0.698 ppm2 7.203 CV 1 OR { 518} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 33 and name HN )) ASSI { 535} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HB1 )) 3.100 1.200 1.200 peak 535 spectrum 1 weight 0.10000E+01 volume 0.52298E-02 ppm1 0.451 ppm2 1.641 CV 1 OR { 535} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HB2 )) OR { 535} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HG1 )) ASSI { 543} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HB2 )) 4.000 2.000 2.000 peak 543 spectrum 1 weight 0.10000E+01 volume 0.17104E-02 ppm1 0.889 ppm2 2.771 CV 1 OR { 543} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 53 and name HG1 )) ASSI { 550} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HB )) 2.100 0.600 0.600 peak 550 spectrum 1 weight 0.10000E+01 volume 0.10571E-01 ppm1 1.032 ppm2 2.208 CV 1 OR { 550} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 71 and name HG1 )) ASSI { 554} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 71 and name HD1 )) 3.700 1.700 1.700 peak 554 spectrum 1 weight 0.10000E+01 volume 0.20222E-02 ppm1 1.035 ppm2 4.002 CV 1 OR { 554} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 61 and name HD1 )) OR { 554} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 12 and name HA )) ASSI { 555} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 20 and name HA )) 4.500 2.500 1.500 peak 555 spectrum 1 weight 0.10000E+01 volume 0.54067E-03 ppm1 1.033 ppm2 4.439 CV 1 OR { 555} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 13 and name HA )) OR { 555} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 14 and name HA )) ASSI { 558} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 69 and name HB1 )) 2.800 1.000 1.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.30928E-02 ppm1 1.080 ppm2 3.013 CV 1 OR { 558} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 72 and name HD2 )) ASSI { 565} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 33 and name HN )) 4.200 2.200 1.800 peak 565 spectrum 1 weight 0.10000E+01 volume 0.49268E-03 ppm1 1.077 ppm2 7.216 CV 1 OR { 565} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 11 and name HE )) OR { 565} ( segid " " and resid 15 and name HG1%) ( segid " " and resid 30 and name HE% ) ASSI { 567} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 35 and name HN )) 3.300 1.400 1.400 peak 567 spectrum 1 weight 0.10000E+01 volume 0.19006E-02 ppm1 1.080 ppm2 8.457 CV 1 OR { 567} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HN )) OR { 567} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 14 and name HN )) ASSI { 576} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 5 and name HA )) 3.300 1.400 1.400 peak 576 spectrum 1 weight 0.10000E+01 volume 0.20166E-02 ppm1 1.420 ppm2 4.531 CV 1 OR { 576} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 5 and name HA )) ASSI { 578} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 8 and name HB2 )) 4.100 2.100 1.900 peak 578 spectrum 1 weight 0.10000E+01 volume 0.97734E-03 ppm1 1.420 ppm2 2.711 CV 1 OR { 578} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 9 and name HB2 )) OR { 578} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 8 and name HB1 )) ASSI { 581} ( segid " " and resid 3 and name HG2%) ( segid " " and resid 56 and name HE% ) 3.900 1.900 1.900 peak 581 spectrum 1 weight 0.10000E+01 volume 0.51585E-03 ppm1 1.384 ppm2 6.814 CV 1 OR { 581} ( segid " " and resid 6 and name HG2%) ( segid " " and resid 56 and name HE% ) ASSI { 585} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 65 and name HA )) 3.500 1.500 1.500 peak 585 spectrum 1 weight 0.10000E+01 volume 0.16721E-02 ppm1 0.979 ppm2 3.992 CV 1 OR { 585} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 61 and name HD1 )) ASSI { 588} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HA )) 3.200 1.300 1.300 peak 588 spectrum 1 weight 0.10000E+01 volume 0.16083E-02 ppm1 1.041 ppm2 4.198 CV 1 OR { 588} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 71 and name HA )) ASSI { 592} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HN )) 3.300 1.300 1.300 peak 592 spectrum 1 weight 0.10000E+01 volume 0.27688E-02 ppm1 1.036 ppm2 8.241 CV 1 OR { 592} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 65 and name HN )) ASSI { 593} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 60 and name HN )) 2.900 1.100 1.100 peak 593 spectrum 1 weight 0.10000E+01 volume 0.38061E-02 ppm1 0.979 ppm2 8.248 CV 1 OR { 593} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 65 and name HN )) ASSI { 601} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HN )) 4.300 2.300 1.700 peak 601 spectrum 1 weight 0.10000E+01 volume 0.97640E-03 ppm1 0.797 ppm2 8.729 CV 1 OR { 601} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 76 and name HN )) ASSI { 603} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HA )) 4.500 2.500 1.500 peak 603 spectrum 1 weight 0.10000E+01 volume 0.50910E-03 ppm1 0.797 ppm2 4.517 CV 1 OR { 603} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 76 and name HA )) ASSI { 604} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 10 and name HA )) 3.900 1.900 1.900 peak 604 spectrum 1 weight 0.10000E+01 volume 0.49887E-03 ppm1 0.797 ppm2 4.222 CV 1 OR { 604} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 71 and name HA )) OR { 604} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 73 and name HA )) OR { 604} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 82 and name HA )) ASSI { 607} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HB1 )) 3.400 1.400 1.400 peak 607 spectrum 1 weight 0.10000E+01 volume 0.34443E-02 ppm1 0.699 ppm2 1.432 CV 1 OR { 607} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 33 and name HB2 )) ASSI { 608} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HB2 )) 2.400 0.700 0.700 peak 608 spectrum 1 weight 0.10000E+01 volume 0.48742E-02 ppm1 0.698 ppm2 1.248 CV 1 OR { 608} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 24 and name HG2%) ASSI { 609} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 33 and name HD2%) 2.400 0.700 0.700 peak 609 spectrum 1 weight 0.10000E+01 volume 0.53429E-02 ppm1 0.699 ppm2 1.074 CV 1 OR { 609} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 38 and name HG2%) ASSI { 610} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 7 and name HG2%) 2.400 0.700 0.700 peak 610 spectrum 1 weight 0.10000E+01 volume 0.60799E-02 ppm1 0.450 ppm2 1.384 CV 1 OR { 610} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 71 and name HG2 )) ASSI { 613} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HA )) 2.300 0.700 0.700 peak 613 spectrum 1 weight 0.10000E+01 volume 0.63999E-02 ppm1 0.763 ppm2 4.397 CV 1 OR { 613} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HA )) ASSI { 619} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 25 and name HA )) 4.200 2.200 1.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.60227E-03 ppm1 0.697 ppm2 4.737 CV 1 ASSI { 624} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 72 and name HH11)) 4.700 2.700 1.300 peak 624 spectrum 1 weight 0.10000E+01 volume 0.46353E-03 ppm1 1.394 ppm2 6.922 CV 1 OR { 624} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 72 and name HH12)) ASSI { 628} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 67 and name HN )) 3.600 1.600 1.600 peak 628 spectrum 1 weight 0.10000E+01 volume 0.15269E-02 ppm1 1.133 ppm2 7.478 CV 1 OR { 628} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 70 and name HN )) ASSI { 630} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 42 and name H36A)) 4.400 2.400 1.600 peak 630 spectrum 1 weight 0.10000E+01 volume 0.41869E-03 ppm1 1.066 ppm2 8.134 CV 1 OR { 630} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 44 and name HN )) ASSI { 631} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 42 and name H36A)) 4.700 2.800 1.300 peak 631 spectrum 1 weight 0.10000E+01 volume 0.38841E-03 ppm1 1.013 ppm2 8.134 CV 1 OR { 631} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 44 and name HN )) OR { 631} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 44 and name HN )) ASSI { 633} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 13 and name HN )) 4.200 2.200 1.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.76144E-03 ppm1 1.048 ppm2 7.703 CV 1 OR { 633} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 79 and name HD22)) OR { 633} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 74 and name HN )) ASSI { 634} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HN )) 3.500 1.600 1.600 peak 634 spectrum 1 weight 0.10000E+01 volume 0.19898E-02 ppm1 1.392 ppm2 8.856 CV 1 OR { 634} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 11 and name HN )) ASSI { 639} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 30 and name HN )) 4.000 2.000 2.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.43933E-03 ppm1 1.392 ppm2 8.075 CV 1 OR { 639} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 10 and name HN )) OR { 639} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 32 and name HN )) ASSI { 641} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 83 and name HN )) 3.800 1.800 1.800 peak 641 spectrum 1 weight 0.10000E+01 volume 0.84462E-03 ppm1 0.889 ppm2 7.969 CV 1 OR { 641} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 57 and name HN )) ASSI { 642} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 78 and name HN )) 4.800 2.800 1.200 peak 642 spectrum 1 weight 0.10000E+01 volume 0.48231E-03 ppm1 0.887 ppm2 8.285 CV 1 OR { 642} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 82 and name HN )) OR { 642} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 78 and name HN )) OR { 642} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 65 and name HN )) ASSI { 645} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 30 and name HZ )) 5.100 3.300 0.900 peak 645 spectrum 1 weight 0.10000E+01 volume 0.28380E-03 ppm1 1.047 ppm2 7.320 CV 1 OR { 645} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 79 and name HD21)) OR { 645} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 30 and name HD% ) ASSI { 647} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 35 and name HD% ) 3.800 1.800 1.800 peak 647 spectrum 1 weight 0.10000E+01 volume 0.44749E-03 ppm1 0.765 ppm2 7.120 CV 1 OR { 647} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 35 and name HD% ) ASSI { 656} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 71 and name HA )) 4.800 2.800 1.200 peak 656 spectrum 1 weight 0.10000E+01 volume 0.39652E-03 ppm1 1.385 ppm2 4.239 CV 1 OR { 656} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 10 and name HA )) ASSI { 657} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 8 and name HA )) 3.900 1.900 1.900 peak 657 spectrum 1 weight 0.10000E+01 volume 0.53312E-03 ppm1 1.393 ppm2 4.624 CV 1 OR { 657} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 70 and name HB )) ASSI { 658} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 29 and name HA )) 5.000 3.100 1.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.33475E-03 ppm1 1.391 ppm2 4.853 CV 1 OR { 658} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 6 and name HB )) ASSI { 660} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 52 and name HA )) 3.100 3.100 2.900 peak 660 spectrum 1 weight 0.10000E+01 volume 0.93028E-02 ppm1 1.044 ppm2 4.315 CV 1 OR { 660} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 74 and name HA )) ASSI { 661} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 14 and name HA )) 4.100 2.100 1.900 peak 661 spectrum 1 weight 0.10000E+01 volume 0.80137E-03 ppm1 1.042 ppm2 4.419 CV 1 OR { 661} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 48 and name HB )) OR { 661} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 13 and name HA )) ASSI { 662} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 10 and name HA )) 4.500 2.500 1.500 peak 662 spectrum 1 weight 0.10000E+01 volume 0.72180E-03 ppm1 0.887 ppm2 4.195 CV 1 OR { 662} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 82 and name HA )) ASSI { 664} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 83 and name HA )) 3.500 1.500 1.500 peak 664 spectrum 1 weight 0.10000E+01 volume 0.16025E-02 ppm1 0.887 ppm2 4.272 CV 1 OR { 664} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 50 and name HA )) OR { 664} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 46 and name HA )) OR { 664} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 51 and name HA )) OR { 664} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 71 and name HA )) ASSI { 665} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 46 and name HB1 )) 4.800 2.900 1.200 peak 665 spectrum 1 weight 0.10000E+01 volume 0.52646E-03 ppm1 1.068 ppm2 2.325 CV 1 OR { 665} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 46 and name HB2 )) OR { 665} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 47 and name HB1 )) ASSI { 670} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 52 and name HB1 )) 3.100 1.200 1.200 peak 670 spectrum 1 weight 0.10000E+01 volume 0.47415E-02 ppm1 1.048 ppm2 2.225 CV 1 OR { 670} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 71 and name HB1 )) OR { 670} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 75 and name HB1 )) ASSI { 674} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 42 and name H38A)) 3.300 1.400 1.400 peak 674 spectrum 1 weight 0.10000E+01 volume 0.64031E-03 ppm1 1.066 ppm2 2.599 CV 1 OR { 674} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 42 and name H38B)) OR { 674} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 47 and name HG1 )) ASSI { 678} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HA )) 4.100 2.100 1.900 peak 678 spectrum 1 weight 0.10000E+01 volume 0.84096E-03 ppm1 1.127 ppm2 4.204 CV 1 ASSI { 679} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 12 and name HA )) 2.600 0.900 0.900 peak 679 spectrum 1 weight 0.10000E+01 volume 0.50896E-02 ppm1 1.122 ppm2 4.030 CV 1 OR { 679} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 19 and name HA2 )) ASSI { 681} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 65 and name HA )) 3.000 1.100 1.100 peak 681 spectrum 1 weight 0.10000E+01 volume 0.19415E-02 ppm1 1.066 ppm2 3.956 CV 1 OR { 681} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 49 and name HA )) ASSI { 682} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 75 and name HA )) 4.300 2.300 1.700 peak 682 spectrum 1 weight 0.10000E+01 volume 0.14810E-02 ppm1 1.047 ppm2 3.891 CV 1 OR { 682} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 49 and name HA )) OR { 682} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 7 and name HA )) ASSI { 686} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HN )) 3.700 1.700 1.700 peak 686 spectrum 1 weight 0.10000E+01 volume 0.21802E-02 ppm1 1.121 ppm2 8.235 CV 1 OR { 686} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 19 and name HN )) ASSI { 687} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 78 and name HN )) 3.900 1.900 1.900 peak 687 spectrum 1 weight 0.10000E+01 volume 0.78720E-03 ppm1 1.070 ppm2 8.271 CV 1 OR { 687} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 65 and name HN )) ASSI { 692} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 75 and name HN )) 5.500 3.800 0.500 peak 692 spectrum 1 weight 0.10000E+01 volume 0.27850E-03 ppm1 1.047 ppm2 8.728 CV 1 OR { 692} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 49 and name HN )) OR { 692} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 76 and name HN )) ASSI { 693} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 75 and name HN )) 3.800 1.800 1.800 peak 693 spectrum 1 weight 0.10000E+01 volume 0.82037E-03 ppm1 1.065 ppm2 8.730 CV 1 OR { 693} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 76 and name HN )) ASSI { 701} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 22 and name HN )) 3.100 1.200 1.200 peak 701 spectrum 1 weight 0.10000E+01 volume 0.20517E-02 ppm1 1.242 ppm2 8.498 CV 1 OR { 701} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 23 and name HN )) ASSI { 713} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 75 and name HN )) 2.600 0.800 0.800 peak 713 spectrum 1 weight 0.10000E+01 volume 0.16711E-02 ppm1 2.433 ppm2 8.733 CV 1 OR { 713} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 76 and name HN )) ASSI { 714} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 75 and name HN )) 3.800 1.800 1.800 peak 714 spectrum 1 weight 0.10000E+01 volume 0.13242E-02 ppm1 1.697 ppm2 8.732 CV 1 OR { 714} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 76 and name HN )) ASSI { 717} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 71 and name HA )) 2.900 1.100 1.100 peak 717 spectrum 1 weight 0.10000E+01 volume 0.16457E-02 ppm1 2.434 ppm2 4.242 CV 1 OR { 717} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 73 and name HA )) ASSI { 718} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 71 and name HA )) 2.900 1.100 1.100 peak 718 spectrum 1 weight 0.10000E+01 volume 0.15029E-02 ppm1 1.696 ppm2 4.250 CV 1 OR { 718} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 73 and name HA )) ASSI { 722} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 75 and name HD2%) 3.300 1.400 1.400 peak 722 spectrum 1 weight 0.10000E+01 volume 0.52955E-03 ppm1 2.432 ppm2 0.869 CV 1 OR { 722} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 52 and name HD1%) ASSI { 723} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 74 and name HD2%) 2.800 1.000 1.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.35642E-02 ppm1 2.434 ppm2 1.065 CV 1 OR { 723} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 10 and name HD1%) ASSI { 725} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 75 and name HD1%) 4.300 2.300 1.700 peak 725 spectrum 1 weight 0.10000E+01 volume 0.61700E-03 ppm1 2.435 ppm2 0.790 CV 1 OR { 725} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 78 and name HD1%) ASSI { 731} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HN )) 3.000 1.100 1.100 peak 731 spectrum 1 weight 0.10000E+01 volume 0.54494E-02 ppm1 2.197 ppm2 8.724 CV 1 OR { 731} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 76 and name HN )) ASSI { 735} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 82 and name HN )) 2.200 0.600 0.600 peak 735 spectrum 1 weight 0.10000E+01 volume 0.41223E-02 ppm1 2.024 ppm2 8.290 CV 1 OR { 735} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 78 and name HN )) ASSI { 737} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 83 and name HN )) 2.600 0.900 0.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.40003E-02 ppm1 2.038 ppm2 8.006 CV 1 OR { 737} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HN )) ASSI { 738} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HN )) 2.500 0.800 0.800 peak 738 spectrum 1 weight 0.10000E+01 volume 0.49315E-02 ppm1 2.356 ppm2 8.087 CV 1 OR { 738} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HN )) ASSI { 740} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 32 and name HN )) 3.100 1.200 1.200 peak 740 spectrum 1 weight 0.10000E+01 volume 0.12110E-02 ppm1 1.639 ppm2 8.085 CV 1 OR { 740} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 30 and name HN )) ASSI { 746} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HN )) 2.200 0.600 0.600 peak 746 spectrum 1 weight 0.10000E+01 volume 0.40923E-02 ppm1 1.547 ppm2 8.727 CV 1 OR { 746} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 76 and name HN )) ASSI { 747} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HN )) 2.600 0.900 0.900 peak 747 spectrum 1 weight 0.10000E+01 volume 0.20280E-02 ppm1 1.436 ppm2 8.417 CV 1 OR { 747} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HN )) ASSI { 748} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 15 and name HN )) 3.600 1.600 1.600 peak 748 spectrum 1 weight 0.10000E+01 volume 0.21207E-02 ppm1 1.404 ppm2 8.482 CV 1 OR { 748} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 34 and name HN )) ASSI { 751} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 34 and name HN )) 4.000 2.000 2.000 peak 751 spectrum 1 weight 0.10000E+01 volume 0.97809E-03 ppm1 1.784 ppm2 8.484 CV 1 OR { 751} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 26 and name HN )) ASSI { 753} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HN )) 3.100 1.200 1.200 peak 753 spectrum 1 weight 0.10000E+01 volume 0.20069E-02 ppm1 1.563 ppm2 8.293 CV 1 OR { 753} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 78 and name HN )) ASSI { 759} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 33 and name HN )) 3.900 1.900 1.900 peak 759 spectrum 1 weight 0.10000E+01 volume 0.75032E-03 ppm1 2.357 ppm2 7.214 CV 1 OR { 759} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 30 and name HE% ) ASSI { 760} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HN )) 2.800 1.000 1.000 peak 760 spectrum 1 weight 0.10000E+01 volume 0.41709E-02 ppm1 1.600 ppm2 9.420 CV 1 OR { 760} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 5 and name HN )) ASSI { 764} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 79 and name HD21)) 4.100 2.100 1.900 peak 764 spectrum 1 weight 0.10000E+01 volume 0.92386E-03 ppm1 1.600 ppm2 7.328 CV 1 OR { 764} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 79 and name HD21)) OR { 764} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 79 and name HD21)) ASSI { 770} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 32 and name HN )) 4.400 2.400 1.600 peak 770 spectrum 1 weight 0.10000E+01 volume 0.49573E-03 ppm1 1.020 ppm2 8.088 CV 1 OR { 770} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 30 and name HN )) ASSI { 779} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 56 and name HN )) 4.700 2.800 1.300 peak 779 spectrum 1 weight 0.10000E+01 volume 0.28769E-03 ppm1 2.226 ppm2 8.135 CV 1 OR { 779} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 55 and name HN )) OR { 779} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 51 and name HN )) ASSI { 786} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 72 and name HH11)) 4.300 2.400 1.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.62310E-03 ppm1 1.645 ppm2 6.911 CV 1 OR { 786} (( segid " " and resid 45 and name HB1 )) ( segid " " and resid 35 and name HE% ) OR { 786} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 72 and name HH12)) OR { 786} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 35 and name HZ )) OR { 786} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 72 and name HH21)) OR { 786} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 72 and name HH22)) OR { 786} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 35 and name HZ )) ASSI { 801} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HA )) 2.400 0.700 0.700 peak 801 spectrum 1 weight 0.10000E+01 volume 0.47007E-02 ppm1 2.036 ppm2 4.279 CV 1 OR { 801} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 83 and name HA )) ASSI { 802} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HA )) 2.800 1.000 1.000 peak 802 spectrum 1 weight 0.10000E+01 volume 0.36822E-02 ppm1 1.918 ppm2 4.280 CV 1 OR { 802} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 74 and name HA )) ASSI { 809} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 73 and name HG1 )) 4.600 2.700 1.400 peak 809 spectrum 1 weight 0.10000E+01 volume 0.45379E-03 ppm1 1.042 ppm2 2.625 CV 1 OR { 809} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HG1 )) ASSI { 810} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HA )) 2.700 0.900 0.900 peak 810 spectrum 1 weight 0.10000E+01 volume 0.30488E-02 ppm1 1.548 ppm2 3.883 CV 1 OR { 810} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HA )) OR { 810} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 7 and name HA )) OR { 810} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 66 and name HA2 )) ASSI { 811} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HA )) 3.000 1.100 1.100 peak 811 spectrum 1 weight 0.10000E+01 volume 0.17168E-02 ppm1 1.613 ppm2 3.895 CV 1 OR { 811} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 66 and name HA2 )) ASSI { 813} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 32 and name HB1 )) 3.900 1.900 1.900 peak 813 spectrum 1 weight 0.10000E+01 volume 0.84359E-03 ppm1 1.600 ppm2 3.043 CV 1 OR { 813} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 9 and name HB1 )) OR { 813} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 72 and name HD2 )) OR { 813} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 30 and name HB2 )) ASSI { 815} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 35 and name HB1 )) 5.100 3.200 0.900 peak 815 spectrum 1 weight 0.10000E+01 volume 0.47283E-03 ppm1 1.640 ppm2 3.606 CV 1 OR { 815} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 72 and name HA )) ASSI { 816} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HA )) 2.400 0.700 0.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.37159E-02 ppm1 1.567 ppm2 4.209 CV 1 OR { 816} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HA )) ASSI { 817} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HA )) 3.100 1.200 1.200 peak 817 spectrum 1 weight 0.10000E+01 volume 0.31541E-02 ppm1 1.605 ppm2 4.376 CV 1 OR { 817} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 3 and name HA )) OR { 817} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 4 and name HA )) ASSI { 826} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HA )) 2.500 0.800 0.800 peak 826 spectrum 1 weight 0.10000E+01 volume 0.36578E-02 ppm1 1.424 ppm2 4.312 CV 1 OR { 826} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HA )) ASSI { 828} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HA )) 2.600 0.800 0.800 peak 828 spectrum 1 weight 0.10000E+01 volume 0.28037E-02 ppm1 1.486 ppm2 4.370 CV 1 OR { 828} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 3 and name HA )) ASSI { 834} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HN )) 3.000 1.100 1.100 peak 834 spectrum 1 weight 0.10000E+01 volume 0.24297E-02 ppm1 1.796 ppm2 8.226 CV 1 OR { 834} (( segid " " and resid 60 and name HB )) (( segid " " and resid 65 and name HN )) ASSI { 835} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HN )) 4.000 2.000 2.000 peak 835 spectrum 1 weight 0.10000E+01 volume 0.14560E-02 ppm1 1.131 ppm2 8.730 CV 1 OR { 835} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 76 and name HN )) ASSI { 838} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 79 and name HN )) 4.400 2.400 1.600 peak 838 spectrum 1 weight 0.10000E+01 volume 0.53720E-03 ppm1 0.880 ppm2 8.865 CV 1 OR { 838} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 11 and name HN )) ASSI { 840} (( segid " " and resid 75 and name HG )) (( segid " " and resid 75 and name HN )) 4.100 2.100 1.900 peak 840 spectrum 1 weight 0.10000E+01 volume 0.11439E-02 ppm1 1.695 ppm2 8.725 CV 1 OR { 840} (( segid " " and resid 75 and name HG )) (( segid " " and resid 76 and name HN )) ASSI { 842} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HN )) 3.000 1.100 1.100 peak 842 spectrum 1 weight 0.10000E+01 volume 0.58552E-03 ppm1 1.558 ppm2 9.012 CV 1 OR { 842} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HE )) OR { 842} (( segid " " and resid 5 and name HG )) (( segid " " and resid 6 and name HN )) ASSI { 844} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HN )) 3.500 1.500 1.500 peak 844 spectrum 1 weight 0.10000E+01 volume 0.11586E-02 ppm1 1.623 ppm2 8.481 CV 1 OR { 844} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 35 and name HN )) ASSI { 851} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 11 and name HN )) 5.700 4.100 0.300 peak 851 spectrum 1 weight 0.10000E+01 volume 0.16623E-03 ppm1 1.051 ppm2 8.851 CV 1 OR { 851} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 79 and name HN )) ASSI { 857} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 45 and name HA )) 3.900 1.900 1.900 peak 857 spectrum 1 weight 0.10000E+01 volume 0.75549E-03 ppm1 0.765 ppm2 3.912 CV 1 OR { 857} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 15 and name HA )) OR { 857} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 15 and name HA )) OR { 857} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 49 and name HA )) ASSI { 860} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 21 and name HA )) 3.000 1.100 1.100 peak 860 spectrum 1 weight 0.10000E+01 volume 0.51740E-02 ppm1 1.242 ppm2 4.510 CV 1 OR { 860} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 20 and name HA )) ASSI { 872} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 30 and name HA )) 4.300 2.300 1.700 peak 872 spectrum 1 weight 0.10000E+01 volume 0.89721E-03 ppm1 0.961 ppm2 4.761 CV 1 OR { 872} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 34 and name HA )) ASSI { 874} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 56 and name HB2 )) 3.700 1.700 1.700 peak 874 spectrum 1 weight 0.10000E+01 volume 0.16883E-02 ppm1 0.973 ppm2 2.789 CV 1 OR { 874} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 53 and name HG1 )) ASSI { 875} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 37 and name HB2 )) 3.600 1.600 1.600 peak 875 spectrum 1 weight 0.10000E+01 volume 0.95275E-03 ppm1 0.960 ppm2 3.009 CV 1 OR { 875} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 30 and name HB2 )) ASSI { 879} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HG2 )) 3.800 1.800 1.800 peak 879 spectrum 1 weight 0.10000E+01 volume 0.92001E-03 ppm1 1.042 ppm2 2.395 CV 1 OR { 879} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 20 and name HG2 )) OR { 879} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 20 and name HG1 )) ASSI { 888} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 18 and name HN )) 4.100 2.100 1.900 peak 888 spectrum 1 weight 0.10000E+01 volume 0.54949E-03 ppm1 1.039 ppm2 7.798 CV 1 OR { 888} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 17 and name HN )) ASSI { 890} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 30 and name HZ )) 3.400 1.400 1.400 peak 890 spectrum 1 weight 0.10000E+01 volume 0.20252E-02 ppm1 1.132 ppm2 7.324 CV 1 OR { 890} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 30 and name HZ )) OR { 890} (( segid " " and resid 11 and name HG2 )) ( segid " " and resid 30 and name HD% ) ASSI { 893} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HH11)) 4.400 2.500 1.600 peak 893 spectrum 1 weight 0.10000E+01 volume 0.93024E-03 ppm1 1.517 ppm2 6.927 CV 1 OR { 893} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HH21)) OR { 893} (( segid " " and resid 38 and name HG12)) ( segid " " and resid 35 and name HE% ) OR { 893} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HH12)) OR { 893} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HH22)) ASSI { 904} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HN )) 2.200 0.600 0.600 peak 904 spectrum 1 weight 0.10000E+01 volume 0.27239E-02 ppm1 1.550 ppm2 7.720 CV 1 OR { 904} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 39 and name HN )) ASSI { 905} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 71 and name HA )) 3.400 1.400 1.400 peak 905 spectrum 1 weight 0.10000E+01 volume 0.22492E-02 ppm1 1.131 ppm2 4.226 CV 1 OR { 905} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HA )) ASSI { 907} (( segid " " and resid 31 and name HG )) (( segid " " and resid 32 and name HN )) 4.100 2.100 1.900 peak 907 spectrum 1 weight 0.10000E+01 volume 0.56966E-03 ppm1 1.194 ppm2 8.081 CV 1 OR { 907} (( segid " " and resid 31 and name HG )) (( segid " " and resid 30 and name HN )) ASSI { 908} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 7 and name HA )) 3.600 1.600 1.600 peak 908 spectrum 1 weight 0.10000E+01 volume 0.19192E-02 ppm1 1.130 ppm2 3.881 CV 1 OR { 908} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HA )) ASSI { 909} (( segid " " and resid 75 and name HG )) (( segid " " and resid 75 and name HA )) 3.500 1.500 1.500 peak 909 spectrum 1 weight 0.10000E+01 volume 0.13040E-02 ppm1 1.692 ppm2 3.884 CV 1 OR { 909} (( segid " " and resid 75 and name HG )) (( segid " " and resid 7 and name HA )) ASSI { 913} (( segid " " and resid 60 and name HG12)) (( segid " " and resid 61 and name HD1 )) 4.900 3.100 1.100 peak 913 spectrum 1 weight 0.10000E+01 volume 0.45050E-03 ppm1 1.119 ppm2 3.992 CV 1 OR { 913} (( segid " " and resid 60 and name HG12)) (( segid " " and resid 65 and name HA )) ASSI { 917} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HN )) 4.100 2.100 1.900 peak 917 spectrum 1 weight 0.10000E+01 volume 0.90495E-03 ppm1 1.743 ppm2 8.131 CV 1 OR { 917} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 55 and name HN )) ASSI { 919} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 14 and name HN )) 3.300 1.400 1.400 peak 919 spectrum 1 weight 0.10000E+01 volume 0.19443E-02 ppm1 1.123 ppm2 8.417 CV 1 OR { 919} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HN )) ASSI { 923} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 15 and name HN )) 4.700 2.700 1.300 peak 923 spectrum 1 weight 0.10000E+01 volume 0.27575E-03 ppm1 1.120 ppm2 8.520 CV 1 OR { 923} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 47 and name HN )) ASSI { 924} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 20 and name HN )) 3.500 1.600 1.600 peak 924 spectrum 1 weight 0.10000E+01 volume 0.12310E-02 ppm1 1.540 ppm2 8.509 CV 1 OR { 924} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 15 and name HN )) ASSI { 933} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 70 and name HN )) 3.700 1.700 1.700 peak 933 spectrum 1 weight 0.10000E+01 volume 0.15710E-02 ppm1 1.223 ppm2 7.481 CV 1 OR { 933} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HN )) ASSI { 935} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 10 and name HA )) 4.100 2.100 1.900 peak 935 spectrum 1 weight 0.10000E+01 volume 0.90350E-03 ppm1 1.127 ppm2 4.229 CV 1 OR { 935} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 46 and name HA )) OR { 935} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 47 and name HA )) OR { 935} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 51 and name HA )) ASSI { 936} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HB )) 2.100 0.600 0.600 peak 936 spectrum 1 weight 0.10000E+01 volume 0.10053E-01 ppm1 1.125 ppm2 4.411 CV 1 OR { 936} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 14 and name HA )) ASSI { 937} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HA )) 3.900 1.900 1.900 peak 937 spectrum 1 weight 0.10000E+01 volume 0.12927E-02 ppm1 1.126 ppm2 4.320 CV 1 OR { 937} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 74 and name HA )) ASSI { 940} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HA )) 2.300 0.700 0.700 peak 940 spectrum 1 weight 0.10000E+01 volume 0.83829E-02 ppm1 1.124 ppm2 3.953 CV 1 OR { 940} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 49 and name HA )) ASSI { 941} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 51 and name HB1 )) 3.400 1.400 1.400 peak 941 spectrum 1 weight 0.10000E+01 volume 0.15702E-02 ppm1 1.123 ppm2 2.222 CV 1 OR { 941} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HB1 )) ASSI { 942} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 10 and name HG )) 2.700 2.700 3.300 peak 942 spectrum 1 weight 0.10000E+01 volume 0.36191E-02 ppm1 1.123 ppm2 1.879 CV 1 OR { 942} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 14 and name HG )) OR { 942} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 55 and name HB1 )) ASSI { 943} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HG )) 2.500 0.800 0.800 peak 943 spectrum 1 weight 0.10000E+01 volume 0.39051E-02 ppm1 1.122 ppm2 2.041 CV 1 OR { 943} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 51 and name HB2 )) ASSI { 955} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 37 and name HA )) 3.400 1.500 1.500 peak 955 spectrum 1 weight 0.10000E+01 volume 0.30970E-03 ppm1 1.066 ppm2 4.777 CV 1 OR { 955} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 30 and name HA )) ASSI { 959} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HN )) 2.700 0.900 0.900 peak 959 spectrum 1 weight 0.10000E+01 volume 0.31328E-02 ppm1 1.065 ppm2 7.721 CV 1 OR { 959} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 39 and name HN )) ASSI { 973} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 59 and name HB1 )) 3.900 1.900 1.900 peak 973 spectrum 1 weight 0.10000E+01 volume 0.33895E-03 ppm1 1.026 ppm2 3.836 CV 1 OR { 973} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 64 and name HA )) ASSI { 974} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 78 and name HA )) 3.700 1.700 1.700 peak 974 spectrum 1 weight 0.10000E+01 volume 0.84908E-03 ppm1 1.026 ppm2 3.760 CV 1 OR { 974} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 59 and name HB2 )) ASSI { 978} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 81 and name HA )) 4.300 2.300 1.700 peak 978 spectrum 1 weight 0.10000E+01 volume 0.55202E-03 ppm1 1.024 ppm2 4.462 CV 1 OR { 978} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 62 and name HA )) ASSI { 984} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 49 and name HA )) 2.100 0.500 0.500 peak 984 spectrum 1 weight 0.10000E+01 volume 0.11821E-01 ppm1 1.536 ppm2 3.952 CV 1 OR { 984} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 65 and name HA )) ASSI { 986} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 56 and name HB2 )) 3.400 1.500 1.500 peak 986 spectrum 1 weight 0.10000E+01 volume 0.84110E-03 ppm1 0.875 ppm2 2.780 CV 1 OR { 986} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HB2 )) ASSI { 993} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 74 and name HA )) 3.900 1.900 1.900 peak 993 spectrum 1 weight 0.10000E+01 volume 0.97279E-03 ppm1 1.397 ppm2 4.329 CV 1 OR { 993} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 77 and name HA )) ASSI { 1012} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 49 and name HA )) 3.700 1.700 1.700 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.13093E-02 ppm1 1.395 ppm2 3.898 CV 1 OR { 1012} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 66 and name HA2 )) ASSI { 1016} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 37 and name HB1 )) 3.300 1.300 1.300 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.12457E-02 ppm1 1.066 ppm2 3.091 CV 1 OR { 1016} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 35 and name HB2 )) ASSI { 1017} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 37 and name HB2 )) 3.300 1.400 1.400 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.14616E-02 ppm1 1.066 ppm2 2.990 CV 1 OR { 1017} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 40 and name HB1 )) ASSI { 1018} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 30 and name HB1 )) 3.400 3.400 2.600 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.36492E-03 ppm1 1.067 ppm2 3.291 CV 1 OR { 1018} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 31 and name HA )) OR { 1018} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 41 and name HB1 )) ASSI { 1019} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 53 and name HG1 )) 3.300 1.400 1.400 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.83528E-03 ppm1 1.396 ppm2 2.751 CV 1 OR { 1019} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 62 and name HB2 )) OR { 1019} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 76 and name HB1 )) ASSI { 1020} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 40 and name HB2 )) 3.900 1.900 1.900 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.16183E-02 ppm1 1.517 ppm2 2.800 CV 1 OR { 1020} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 46 and name HG1 )) ASSI { 1023} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 62 and name HB1 )) 3.200 3.200 2.800 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.87704E-03 ppm1 1.393 ppm2 2.829 CV 1 OR { 1023} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 63 and name HB1 )) OR { 1023} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 56 and name HB2 )) ASSI { 1026} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 48 and name HB )) 4.400 2.500 1.600 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.36155E-03 ppm1 1.523 ppm2 4.426 CV 1 OR { 1026} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 14 and name HA )) ASSI { 1029} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 48 and name HA )) 3.900 1.900 1.900 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.11439E-02 ppm1 1.667 ppm2 3.957 CV 1 OR { 1029} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 49 and name HA )) OR { 1029} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 48 and name HA )) OR { 1029} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 49 and name HA )) OR { 1029} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 15 and name HA )) ASSI { 1041} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 74 and name HA )) 2.600 0.800 0.800 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.74183E-02 ppm1 0.965 ppm2 4.275 CV 1 OR { 1041} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HA )) ASSI { 1043} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 68 and name HA )) 3.200 1.300 1.300 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.59307E-03 ppm1 0.964 ppm2 4.464 CV 1 OR { 1043} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 76 and name HA )) OR { 1043} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 62 and name HA )) ASSI { 1051} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HA )) 2.900 1.000 1.000 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.20219E-02 ppm1 2.195 ppm2 3.888 CV 1 OR { 1051} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 49 and name HA )) ASSI { 1052} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 7 and name HA )) 3.000 1.200 1.200 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.12561E-02 ppm1 2.345 ppm2 3.865 CV 1 OR { 1052} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 75 and name HA )) ASSI { 1068} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HA )) 2.800 1.000 1.000 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.27323E-02 ppm1 3.042 ppm2 4.547 CV 1 OR { 1068} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HA )) ASSI { 1072} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HA )) 2.800 1.000 1.000 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.44941E-02 ppm1 2.702 ppm2 4.556 CV 1 OR { 1072} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 5 and name HA )) OR { 1072} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 9 and name HA )) ASSI { 1078} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HN )) 2.800 1.000 1.000 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.34533E-02 ppm1 3.037 ppm2 8.087 CV 1 OR { 1078} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 10 and name HN )) ASSI { 1079} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 38 and name HN )) 3.600 1.600 1.600 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.67888E-03 ppm1 3.097 ppm2 7.729 CV 1 OR { 1079} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 39 and name HN )) ASSI { 1082} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name HN )) 3.500 1.500 1.500 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.82327E-03 ppm1 2.994 ppm2 7.727 CV 1 OR { 1082} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 39 and name HN )) ASSI { 1090} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 34 and name HN )) 4.200 2.200 1.800 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.44845E-03 ppm1 3.089 ppm2 8.484 CV 1 OR { 1090} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 35 and name HN )) ASSI { 1092} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HN )) 3.100 1.200 1.200 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.12276E-02 ppm1 2.711 ppm2 8.091 CV 1 OR { 1092} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 10 and name HN )) ASSI { 1093} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 6 and name HN )) 2.900 1.100 1.100 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.13910E-02 ppm1 2.703 ppm2 9.001 CV 1 OR { 1093} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 6 and name HN )) ASSI { 1100} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 34 and name HN )) 3.600 1.600 1.600 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.65317E-03 ppm1 2.993 ppm2 8.485 CV 1 OR { 1100} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 35 and name HN )) ASSI { 1103} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HN )) 2.700 0.900 0.900 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.20597E-02 ppm1 2.795 ppm2 8.045 CV 1 OR { 1103} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 77 and name HN )) ASSI { 1110} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 33 and name HN )) 3.900 1.900 1.900 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.98287E-03 ppm1 3.013 ppm2 7.195 CV 1 OR { 1110} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 30 and name HE% ) ASSI { 1112} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 30 and name HE% ) 4.500 2.600 1.500 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.66194E-03 ppm1 3.293 ppm2 7.201 CV 1 OR { 1112} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 33 and name HN )) ASSI { 1116} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HN )) 3.200 1.300 1.300 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.97372E-03 ppm1 3.294 ppm2 8.071 CV 1 OR { 1116} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 32 and name HN )) ASSI { 1119} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 38 and name HG2%) 4.100 2.100 1.900 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.59922E-03 ppm1 3.035 ppm2 1.065 CV 1 OR { 1119} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 33 and name HD2%) OR { 1119} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 10 and name HD1%) OR { 1119} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 70 and name HG2%) OR { 1119} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 52 and name HD2%) ASSI { 1120} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 38 and name HG2%) 3.800 1.800 1.800 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.55184E-03 ppm1 3.091 ppm2 1.064 CV 1 OR { 1120} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 33 and name HD2%) ASSI { 1121} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HG )) 3.500 1.500 1.500 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.17407E-02 ppm1 3.038 ppm2 1.577 CV 1 OR { 1121} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name HG12)) OR { 1121} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 10 and name HB2 )) OR { 1121} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HB1 )) ASSI { 1122} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 38 and name HG2%) 3.800 1.800 1.800 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.82632E-03 ppm1 2.997 ppm2 1.065 CV 1 OR { 1122} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 33 and name HD2%) ASSI { 1123} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HB2 )) 3.500 1.500 1.500 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.15067E-02 ppm1 2.701 ppm2 1.576 CV 1 OR { 1123} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 5 and name HG )) OR { 1123} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 5 and name HB1 )) OR { 1123} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 10 and name HB2 )) ASSI { 1124} (( segid " " and resid 8 and name HB2 )) ( segid " " and resid 6 and name HG2%) 3.600 1.600 1.600 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.80789E-03 ppm1 2.721 ppm2 1.404 CV 1 OR { 1124} (( segid " " and resid 8 and name HB2 )) ( segid " " and resid 7 and name HG2%) OR { 1124} (( segid " " and resid 8 and name HB1 )) ( segid " " and resid 7 and name HG2%) OR { 1124} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HG1 )) OR { 1124} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HG1 )) ASSI { 1125} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 34 and name HB2 )) 4.200 2.200 1.800 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.54349E-03 ppm1 3.096 ppm2 1.846 CV 1 OR { 1125} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 38 and name HG11)) ASSI { 1126} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 34 and name HB2 )) 3.200 1.300 1.300 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.75389E-03 ppm1 2.996 ppm2 1.848 CV 1 OR { 1126} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name HG11)) ASSI { 1134} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HB1 )) 3.900 1.900 1.900 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.10020E-02 ppm1 2.723 ppm2 2.041 CV 1 OR { 1134} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HB2 )) OR { 1134} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HB1 )) OR { 1134} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HB2 )) OR { 1134} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 12 and name HB2 )) OR { 1134} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HB1 )) OR { 1134} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HB2 )) OR { 1134} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 12 and name HB1 )) ASSI { 1135} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 26 and name HA )) 3.500 1.500 1.500 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.13426E-02 ppm1 3.008 ppm2 4.370 CV 1 OR { 1135} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 35 and name HA )) OR { 1135} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 36 and name HA )) ASSI { 1139} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 73 and name HA )) 3.000 1.100 1.100 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.17270E-02 ppm1 2.772 ppm2 4.240 CV 1 OR { 1139} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 82 and name HA )) ASSI { 1149} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 9 and name HA )) 4.000 2.000 2.000 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.77711E-03 ppm1 2.751 ppm2 4.543 CV 1 OR { 1149} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 9 and name HA )) OR { 1149} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 63 and name HA )) OR { 1149} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 61 and name HA )) ASSI { 1153} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 33 and name HD2%) 3.600 1.700 1.700 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.15453E-02 ppm1 3.295 ppm2 1.069 CV 1 OR { 1153} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 38 and name HG2%) ASSI { 1156} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 38 and name HD1%) 4.600 2.700 1.400 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.47527E-03 ppm1 3.009 ppm2 0.873 CV 1 OR { 1156} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 38 and name HD1%) OR { 1156} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 14 and name HD2%) ASSI { 1159} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 38 and name HG12)) 3.700 1.700 1.700 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.12770E-02 ppm1 2.796 ppm2 1.523 CV 1 OR { 1159} (( segid " " and resid 62 and name HB2 )) ( segid " " and resid 49 and name HB% ) OR { 1159} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 45 and name HB2 )) OR { 1159} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 44 and name HB% ) ASSI { 1165} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HG )) 2.600 0.800 0.800 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.35585E-02 ppm1 2.200 ppm2 1.684 CV 1 OR { 1165} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 13 and name HB% ) ASSI { 1166} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 75 and name HG )) 4.300 2.300 1.700 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.60180E-03 ppm1 2.335 ppm2 1.687 CV 1 OR { 1166} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 13 and name HB% ) OR { 1166} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 74 and name HB2 )) ASSI { 1175} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 10 and name HD1%) 3.500 1.600 1.600 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.21513E-02 ppm1 2.347 ppm2 1.041 CV 1 OR { 1175} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 74 and name HD1%) ASSI { 1176} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 52 and name HD1%) 2.500 0.800 0.800 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.62549E-02 ppm1 2.211 ppm2 0.866 CV 1 OR { 1176} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 75 and name HD2%) OR { 1176} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 78 and name HG2%) ASSI { 1177} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 75 and name HD1%) 3.900 1.900 1.900 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.12295E-02 ppm1 2.349 ppm2 0.793 CV 1 OR { 1177} (( segid " " and resid 32 and name HB2 )) ( segid " " and resid 31 and name HD2%) OR { 1177} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 14 and name HD1%) ASSI { 1188} (( segid " " and resid 55 and name HD1 )) ( segid " " and resid 52 and name HD2%) 4.200 2.200 1.800 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.40362E-03 ppm1 3.099 ppm2 1.049 CV 1 OR { 1188} (( segid " " and resid 55 and name HD1 )) ( segid " " and resid 10 and name HD1%) ASSI { 1193} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HB1 )) 2.800 1.000 1.000 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.32125E-02 ppm1 3.270 ppm2 2.063 CV 1 OR { 1193} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HB1 )) OR { 1193} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HB2 )) ASSI { 1197} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HB1 )) 2.600 0.800 0.800 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.30262E-02 ppm1 3.449 ppm2 2.173 CV 1 OR { 1197} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HB1 )) ASSI { 1201} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HG1 )) 2.600 0.800 0.800 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.59626E-02 ppm1 3.447 ppm2 1.955 CV 1 OR { 1201} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HG1 )) ASSI { 1206} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HG2 )) 2.300 0.700 0.700 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.70627E-02 ppm1 3.312 ppm2 1.705 CV 1 OR { 1206} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HG2 )) ASSI { 1209} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HG1 )) 2.300 0.600 0.600 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.79940E-02 ppm1 3.291 ppm2 1.739 CV 1 OR { 1209} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HG2 )) OR { 1209} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HG2 )) OR { 1209} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HG2 )) OR { 1209} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HG1 )) ASSI { 1210} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HG1 )) 2.400 0.700 0.700 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.58134E-02 ppm1 3.306 ppm2 2.028 CV 1 OR { 1210} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HB1 )) OR { 1210} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HB2 )) OR { 1210} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HB2 )) ASSI { 1212} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HG1 )) 2.300 0.600 0.600 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.57665E-02 ppm1 3.363 ppm2 1.925 CV 1 OR { 1212} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HG1 )) ASSI { 1213} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HG1 )) 2.300 0.700 0.700 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.55681E-02 ppm1 3.329 ppm2 1.929 CV 1 OR { 1213} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HG1 )) ASSI { 1223} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 71 and name HB1 )) 2.400 0.700 0.700 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.47678E-02 ppm1 1.129 ppm2 2.243 CV 1 OR { 1223} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 71 and name HG1 )) OR { 1223} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 15 and name HB )) ASSI { 1226} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HB1 )) 2.600 0.800 0.800 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.38994E-02 ppm1 1.132 ppm2 2.017 CV 1 OR { 1226} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HB2 )) OR { 1226} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 71 and name HB2 )) OR { 1226} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 14 and name HB1 )) OR { 1226} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 12 and name HB2 )) ASSI { 1236} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HD2 )) 3.000 1.100 1.100 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.14114E-02 ppm1 1.516 ppm2 3.015 CV 1 OR { 1236} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 37 and name HB2 )) OR { 1236} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 40 and name HB1 )) ASSI { 1237} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HB )) 3.400 1.500 1.500 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.93239E-03 ppm1 1.552 ppm2 2.451 CV 1 OR { 1237} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 73 and name HB1 )) ASSI { 1239} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HD2 )) 2.400 0.700 0.700 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.45387E-02 ppm1 1.932 ppm2 3.337 CV 1 OR { 1239} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HD1 )) OR { 1239} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HD2 )) ASSI { 1256} (( segid " " and resid 52 and name HG )) (( segid " " and resid 49 and name HA )) 3.400 1.500 1.500 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.64585E-03 ppm1 2.052 ppm2 3.952 CV 1 OR { 1256} (( segid " " and resid 52 and name HG )) (( segid " " and resid 48 and name HA )) ASSI { 1262} (( segid " " and resid 33 and name HG )) (( segid " " and resid 34 and name HA )) 3.600 1.600 1.600 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.13403E-02 ppm1 1.785 ppm2 4.756 CV 1 OR { 1262} (( segid " " and resid 33 and name HG )) (( segid " " and resid 30 and name HA )) ASSI { 1263} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HA )) 3.900 1.900 1.900 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.62586E-03 ppm1 1.823 ppm2 4.657 CV 1 OR { 1263} (( segid " " and resid 82 and name HG )) (( segid " " and resid 56 and name HA )) ASSI { 1266} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 70 and name HB )) 3.300 1.300 1.300 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.46378E-03 ppm1 1.561 ppm2 4.657 CV 1 OR { 1266} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HA )) ASSI { 1273} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 35 and name HA )) 2.900 1.100 1.100 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.23171E-02 ppm1 1.828 ppm2 4.385 CV 1 OR { 1273} (( segid " " and resid 82 and name HG )) (( segid " " and resid 4 and name HA )) ASSI { 1274} (( segid " " and resid 82 and name HG )) (( segid " " and resid 83 and name HA )) 2.800 1.000 1.000 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.27833E-02 ppm1 1.825 ppm2 4.272 CV 1 OR { 1274} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HA )) ASSI { 1275} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 66 and name HA2 )) 4.000 2.000 2.000 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.47021E-03 ppm1 1.743 ppm2 3.909 CV 1 OR { 1275} (( segid " " and resid 43 and name HG )) (( segid " " and resid 42 and name H28B)) OR { 1275} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 66 and name HA2 )) OR { 1275} (( segid " " and resid 43 and name HG )) (( segid " " and resid 42 and name H28A)) OR { 1275} (( segid " " and resid 4 and name HG )) (( segid " " and resid 75 and name HA )) OR { 1275} (( segid " " and resid 43 and name HG )) (( segid " " and resid 45 and name HA )) ASSI { 1284} (( segid " " and resid 10 and name HG )) ( segid " " and resid 30 and name HE% ) 4.100 2.100 1.900 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.70158E-03 ppm1 1.897 ppm2 7.207 CV 1 OR { 1284} (( segid " " and resid 14 and name HG )) ( segid " " and resid 30 and name HE% ) ASSI { 1285} (( segid " " and resid 10 and name HG )) (( segid " " and resid 30 and name HZ )) 4.300 2.400 1.700 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.38478E-03 ppm1 1.891 ppm2 7.333 CV 1 OR { 1285} (( segid " " and resid 14 and name HG )) ( segid " " and resid 30 and name HD% ) OR { 1285} (( segid " " and resid 14 and name HG )) (( segid " " and resid 30 and name HZ )) OR { 1285} (( segid " " and resid 10 and name HG )) ( segid " " and resid 30 and name HD% ) ASSI { 1288} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HN )) 2.900 1.100 1.100 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.25872E-02 ppm1 1.827 ppm2 7.723 CV 1 OR { 1288} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 39 and name HN )) ASSI { 1294} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 30 and name HE% ) 3.300 1.300 1.300 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.96293E-03 ppm1 2.203 ppm2 7.207 CV 1 OR { 1294} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 33 and name HN )) ASSI { 1296} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HN )) 3.800 1.800 1.800 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.13760E-02 ppm1 1.978 ppm2 8.132 CV 1 OR { 1296} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 55 and name HN )) ASSI { 1311} (( segid " " and resid 61 and name HG2 )) ( segid " " and resid 64 and name HG2%) 2.700 0.900 0.900 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.35171E-02 ppm1 2.135 ppm2 1.021 CV 1 OR { 1311} (( segid " " and resid 61 and name HG1 )) ( segid " " and resid 64 and name HG2%) OR { 1311} (( segid " " and resid 61 and name HG2 )) ( segid " " and resid 64 and name HG1%) OR { 1311} (( segid " " and resid 61 and name HG1 )) ( segid " " and resid 60 and name HG2%) ASSI { 1316} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HN )) 2.900 1.100 1.100 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.16651E-02 ppm1 1.940 ppm2 8.482 CV 1 OR { 1316} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 35 and name HN )) ASSI { 1317} (( segid " " and resid 14 and name HG )) (( segid " " and resid 14 and name HN )) 3.800 1.800 1.800 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.18135E-02 ppm1 1.875 ppm2 8.416 CV 1 OR { 1317} (( segid " " and resid 82 and name HG )) (( segid " " and resid 80 and name HN )) ASSI { 1321} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 60 and name HA )) 2.700 0.900 0.900 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.15614E-02 ppm1 4.015 ppm2 4.651 CV 1 OR { 1321} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 70 and name HB )) ASSI { 1324} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 33 and name HN )) 3.500 1.500 1.500 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.77627E-03 ppm1 4.037 ppm2 7.212 CV 1 OR { 1324} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 30 and name HE% ) ASSI { 1328} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HG1 )) 2.400 0.700 0.700 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.28062E-02 ppm1 4.030 ppm2 2.191 CV 1 OR { 1328} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 64 and name HB )) ASSI { 1331} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 14 and name HD2%) 4.200 2.300 1.800 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.25122E-03 ppm1 2.794 ppm2 0.871 CV 1 OR { 1331} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 38 and name HD1%) OR { 1331} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 75 and name HD2%) ASSI { 1335} (( segid " " and resid 61 and name HD1 )) ( segid " " and resid 60 and name HD1%) 4.700 2.700 1.300 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.46932E-03 ppm1 4.029 ppm2 0.865 CV 1 OR { 1335} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 75 and name HD2%) ASSI { 1337} (( segid " " and resid 61 and name HD1 )) ( segid " " and resid 60 and name HG2%) 3.400 1.500 1.500 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.27051E-02 ppm1 4.016 ppm2 1.022 CV 1 OR { 1337} (( segid " " and resid 61 and name HD1 )) ( segid " " and resid 64 and name HG2%) OR { 1337} (( segid " " and resid 61 and name HD1 )) ( segid " " and resid 64 and name HG1%) ASSI { 1338} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 70 and name HG2%) 3.700 1.700 1.700 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.16524E-02 ppm1 4.031 ppm2 1.078 CV 1 OR { 1338} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 60 and name HG12)) ASSI { 1342} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 60 and name HD1%) 5.400 3.700 0.600 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.19744E-03 ppm1 3.575 ppm2 0.835 CV 1 OR { 1342} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 78 and name HD1%) ASSI { 1343} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 64 and name HG2%) 2.700 0.900 0.900 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 3.569 ppm2 1.021 CV 1 OR { 1343} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 60 and name HG2%) OR { 1343} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 64 and name HG1%) ASSI { 1352} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 55 and name HN )) 5.200 3.300 0.800 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.17274E-03 ppm1 2.358 ppm2 8.134 CV 1 OR { 1352} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 44 and name HN )) OR { 1352} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 56 and name HN )) ASSI { 1353} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 46 and name HN )) 4.900 3.000 1.100 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.35232E-03 ppm1 2.355 ppm2 8.227 CV 1 OR { 1353} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 50 and name HN )) OR { 1353} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 50 and name HN )) OR { 1353} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 60 and name HN )) ASSI { 1354} (( segid " " and resid 10 and name HG )) ( segid " " and resid 10 and name HD2%) 2.300 0.700 0.700 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.55873E-02 ppm1 1.895 ppm2 1.130 CV 1 OR { 1354} (( segid " " and resid 14 and name HG )) ( segid " " and resid 48 and name HG2%) ASSI { 1355} (( segid " " and resid 10 and name HG )) ( segid " " and resid 10 and name HD1%) 2.300 0.700 0.700 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.54292E-02 ppm1 1.888 ppm2 1.033 CV 1 OR { 1355} (( segid " " and resid 10 and name HG )) ( segid " " and resid 52 and name HD2%) ASSI { 1357} (( segid " " and resid 14 and name HG )) ( segid " " and resid 14 and name HD1%) 2.500 0.800 0.800 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.39107E-02 ppm1 1.878 ppm2 0.767 CV 1 OR { 1357} (( segid " " and resid 14 and name HG )) ( segid " " and resid 26 and name HD2%) ASSI { 1360} (( segid " " and resid 60 and name HG11)) ( segid " " and resid 77 and name HD1%) 3.200 1.300 1.300 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.17097E-02 ppm1 1.490 ppm2 0.967 CV 1 OR { 1360} (( segid " " and resid 60 and name HG11)) ( segid " " and resid 77 and name HD2%) ASSI { 1361} (( segid " " and resid 31 and name HG )) (( segid " " and resid 31 and name HB1 )) 2.600 0.800 0.800 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.32644E-02 ppm1 1.195 ppm2 1.630 CV 1 OR { 1361} (( segid " " and resid 31 and name HG )) (( segid " " and resid 72 and name HB2 )) ASSI { 1362} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 7 and name HA )) 5.000 3.100 1.000 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.35793E-03 ppm1 0.668 ppm2 3.889 CV 1 OR { 1362} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 75 and name HA )) ASSI { 1363} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HA )) 2.400 0.700 0.700 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.64693E-02 ppm1 1.536 ppm2 4.263 CV 1 OR { 1363} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 50 and name HA )) ASSI { 1366} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 50 and name HN )) 2.500 0.800 0.800 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.60246E-02 ppm1 1.536 ppm2 8.243 CV 1 OR { 1366} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 65 and name HN )) ASSI { 1368} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 66 and name HN )) 4.500 2.600 1.500 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.28333E-03 ppm1 1.532 ppm2 8.021 CV 1 OR { 1368} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 54 and name HN )) ASSI { 1376} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 54 and name HN )) 3.800 1.800 1.800 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.10180E-02 ppm1 1.653 ppm2 8.028 CV 1 OR { 1376} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 66 and name HN )) ASSI { 1378} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 50 and name HA )) 2.000 0.500 0.500 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.20456E-01 ppm1 1.653 ppm2 4.260 CV 1 OR { 1378} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 47 and name HA )) ASSI { 1379} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 54 and name HB2 )) 3.900 1.900 1.900 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.10725E-02 ppm1 1.648 ppm2 4.107 CV 1 OR { 1379} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 53 and name HA )) OR { 1379} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 54 and name HB1 )) OR { 1379} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 66 and name HA1 )) ASSI { 1380} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 53 and name HG2 )) 3.900 1.900 1.900 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.11908E-02 ppm1 1.655 ppm2 2.343 CV 1 OR { 1380} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 46 and name HB1 )) ASSI { 1381} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 51 and name HB1 )) 3.800 1.800 1.800 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.14117E-02 ppm1 1.656 ppm2 2.198 CV 1 OR { 1381} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 52 and name HB1 )) ASSI { 1392} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 82 and name HA )) 3.700 1.700 1.700 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.11613E-02 ppm1 1.618 ppm2 4.195 CV 1 OR { 1392} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 82 and name HA )) ASSI { 1393} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 80 and name HA2 )) 2.800 1.000 1.000 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.42868E-02 ppm1 1.613 ppm2 4.028 CV 1 OR { 1393} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 80 and name HA1 )) OR { 1393} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 80 and name HA2 )) ASSI { 1398} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 52 and name HG )) 2.900 1.100 1.100 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.45553E-02 ppm1 1.672 ppm2 2.038 CV 1 OR { 1398} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 12 and name HB2 )) OR { 1398} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 12 and name HB1 )) OR { 1398} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 51 and name HB2 )) ASSI { 1399} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 51 and name HB1 )) 3.700 1.700 1.700 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.15401E-02 ppm1 1.672 ppm2 2.193 CV 1 OR { 1399} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 51 and name HB1 )) OR { 1399} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 52 and name HB1 )) OR { 1399} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 16 and name HB1 )) ASSI { 1400} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 52 and name HD2%) 2.000 0.500 0.500 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.13134E-01 ppm1 1.671 ppm2 1.040 CV 1 OR { 1400} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 10 and name HD1%) ASSI { 1401} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 48 and name HG2%) 2.700 0.900 0.900 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.50075E-02 ppm1 1.672 ppm2 1.127 CV 1 OR { 1401} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 10 and name HD2%) OR { 1401} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 15 and name HG2%) ASSI { 1402} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 52 and name HD1%) 3.100 1.200 1.200 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.40882E-02 ppm1 1.672 ppm2 0.864 CV 1 OR { 1402} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 75 and name HD2%) ASSI { 1403} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 14 and name HD1%) 4.200 2.200 1.800 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.10052E-02 ppm1 1.674 ppm2 0.761 CV 1 OR { 1403} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 26 and name HD2%) ASSI { 1404} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 53 and name HA )) 3.000 3.000 3.000 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.16263E-02 ppm1 1.616 ppm2 4.094 CV 1 OR { 1404} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 57 and name HA1 )) OR { 1404} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 57 and name HA2 )) ASSI { 1409} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 3 and name HA )) 4.800 2.900 1.200 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.23459E-03 ppm1 1.642 ppm2 4.389 CV 1 OR { 1409} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 4 and name HA )) ASSI { 1429} (( segid " " and resid 31 and name HA )) (( segid " " and resid 33 and name HN )) 3.500 1.500 1.500 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.76191E-03 ppm1 3.300 ppm2 7.209 CV 1 OR { 1429} (( segid " " and resid 31 and name HA )) ( segid " " and resid 30 and name HE% ) ASSI { 1431} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HN )) 3.700 1.700 1.700 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.65303E-03 ppm1 3.302 ppm2 8.081 CV 1 OR { 1431} (( segid " " and resid 31 and name HA )) (( segid " " and resid 30 and name HN )) ASSI { 1437} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HG2 )) 3.800 1.800 1.800 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.16804E-02 ppm1 1.024 ppm2 2.128 CV 1 OR { 1437} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HG1 )) ASSI { 1438} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 77 and name HB1 )) 3.200 1.200 1.200 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.10833E-02 ppm1 1.024 ppm2 2.051 CV 1 OR { 1438} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HB2 )) ASSI { 1444} ( segid " " and resid 44 and name HB% ) ( segid " " and resid 38 and name HD1%) 3.600 3.600 2.400 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.31448E-03 ppm1 1.509 ppm2 0.875 CV 1 OR { 1444} ( segid " " and resid 44 and name HB% ) ( segid " " and resid 14 and name HD2%) OR { 1444} ( segid " " and resid 44 and name HB% ) ( segid " " and resid 52 and name HD1%) ASSI { 1445} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 74 and name HD2%) 2.700 0.900 0.900 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.53908E-02 ppm1 1.535 ppm2 1.053 CV 1 OR { 1445} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 52 and name HD2%) OR { 1445} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 10 and name HD1%) ASSI { 1446} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 52 and name HD1%) 3.300 1.300 1.300 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.41765E-02 ppm1 1.534 ppm2 0.845 CV 1 OR { 1446} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 60 and name HD1%) ASSI { 1447} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HB2 )) 3.900 1.900 1.900 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.99896E-03 ppm1 1.536 ppm2 2.321 CV 1 OR { 1447} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HG2 )) OR { 1447} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HB1 )) ASSI { 1448} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HG1 )) 3.400 1.400 1.400 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.82881E-03 ppm1 1.535 ppm2 2.748 CV 1 OR { 1448} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 62 and name HB2 )) ASSI { 1461} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HN )) 2.800 1.000 1.000 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.36118E-02 ppm1 4.351 ppm2 7.812 CV 1 OR { 1461} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HN )) ASSI { 1464} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HA1 )) 4.000 2.000 2.000 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.83453E-03 ppm1 4.352 ppm2 4.053 CV 1 OR { 1464} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HA2 )) OR { 1464} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HB2 )) ASSI { 1471} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HD2%) 4.300 2.300 1.700 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.10437E-02 ppm1 4.312 ppm2 1.069 CV 1 OR { 1471} (( segid " " and resid 33 and name HA )) ( segid " " and resid 38 and name HG2%) ASSI { 1478} (( segid " " and resid 26 and name HA )) ( segid " " and resid 33 and name HD2%) 3.600 1.600 1.600 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.96767E-03 ppm1 4.367 ppm2 1.070 CV 1 OR { 1478} (( segid " " and resid 26 and name HA )) ( segid " " and resid 38 and name HG2%) ASSI { 1479} (( segid " " and resid 4 and name HA )) ( segid " " and resid 82 and name HD2%) 3.000 1.200 1.200 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.43406E-02 ppm1 4.375 ppm2 0.983 CV 1 OR { 1479} (( segid " " and resid 4 and name HA )) ( segid " " and resid 4 and name HD2%) OR { 1479} (( segid " " and resid 4 and name HA )) ( segid " " and resid 82 and name HD1%) ASSI { 1488} (( segid " " and resid 33 and name HA )) (( segid " " and resid 37 and name HB1 )) 4.600 2.600 1.400 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.46477E-03 ppm1 4.313 ppm2 3.084 CV 1 OR { 1488} (( segid " " and resid 83 and name HA )) (( segid " " and resid 79 and name HB1 )) ASSI { 1502} (( segid " " and resid 65 and name HA )) ( segid " " and resid 77 and name HD1%) 2.700 0.900 0.900 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.36009E-02 ppm1 3.986 ppm2 0.963 CV 1 OR { 1502} (( segid " " and resid 65 and name HA )) ( segid " " and resid 64 and name HG1%) OR { 1502} (( segid " " and resid 65 and name HA )) ( segid " " and resid 77 and name HD2%) ASSI { 1507} (( segid " " and resid 4 and name HA )) ( segid " " and resid 3 and name HG2%) 3.800 1.800 1.800 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.10731E-02 ppm1 4.377 ppm2 1.370 CV 1 OR { 1507} (( segid " " and resid 4 and name HA )) (( segid " " and resid 5 and name HB2 )) OR { 1507} (( segid " " and resid 26 and name HA )) (( segid " " and resid 11 and name HG1 )) OR { 1507} (( segid " " and resid 26 and name HA )) (( segid " " and resid 33 and name HB2 )) ASSI { 1508} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HG )) 2.600 0.800 0.800 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.40058E-02 ppm1 4.378 ppm2 1.589 CV 1 OR { 1508} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB1 )) OR { 1508} (( segid " " and resid 4 and name HA )) (( segid " " and resid 5 and name HB1 )) ASSI { 1509} (( segid " " and resid 26 and name HA )) ( segid " " and resid 30 and name HD% ) 3.700 1.700 1.700 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.56328E-03 ppm1 4.369 ppm2 7.340 CV 1 OR { 1509} (( segid " " and resid 4 and name HA )) (( segid " " and resid 79 and name HD21)) ASSI { 1514} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HB2 )) 2.900 1.100 1.100 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.19654E-02 ppm1 4.320 ppm2 2.207 CV 1 OR { 1514} (( segid " " and resid 33 and name HA )) (( segid " " and resid 34 and name HB1 )) ASSI { 1543} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HG )) 3.100 1.200 1.200 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.17026E-02 ppm1 4.404 ppm2 1.880 CV 1 OR { 1543} (( segid " " and resid 14 and name HA )) (( segid " " and resid 10 and name HG )) ASSI { 1558} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB1 )) 3.200 1.300 1.300 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.16196E-02 ppm1 3.301 ppm2 1.638 CV 1 OR { 1558} (( segid " " and resid 31 and name HA )) (( segid " " and resid 72 and name HB2 )) ASSI { 1567} (( segid " " and resid 49 and name HA )) (( segid " " and resid 50 and name HN )) 3.400 1.500 1.500 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.89533E-03 ppm1 3.956 ppm2 8.243 CV 1 OR { 1567} (( segid " " and resid 49 and name HA )) (( segid " " and resid 65 and name HN )) ASSI { 1571} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HB2 )) 3.200 1.300 1.300 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.82721E-03 ppm1 3.958 ppm2 1.422 CV 1 OR { 1571} (( segid " " and resid 49 and name HA )) ( segid " " and resid 65 and name HB% ) ASSI { 1576} (( segid " " and resid 49 and name HA )) ( segid " " and resid 74 and name HD2%) 3.800 1.800 1.800 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.21096E-02 ppm1 3.958 ppm2 1.062 CV 1 OR { 1576} (( segid " " and resid 49 and name HA )) ( segid " " and resid 52 and name HD2%) OR { 1576} (( segid " " and resid 49 and name HA )) ( segid " " and resid 10 and name HD1%) ASSI { 1581} (( segid " " and resid 14 and name HA )) ( segid " " and resid 48 and name HG2%) 2.900 1.000 1.000 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.21712E-02 ppm1 4.402 ppm2 1.117 CV 1 OR { 1581} (( segid " " and resid 14 and name HA )) ( segid " " and resid 15 and name HG2%) ASSI { 1596} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB2 )) 2.300 0.700 0.700 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.92151E-02 ppm1 4.484 ppm2 2.738 CV 1 OR { 1596} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB2 )) OR { 1596} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB1 )) ASSI { 1597} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HN )) 2.700 0.900 0.900 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.40089E-02 ppm1 4.488 ppm2 8.711 CV 1 OR { 1597} (( segid " " and resid 76 and name HA )) (( segid " " and resid 75 and name HN )) ASSI { 1599} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HN )) 2.400 0.700 0.700 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.43429E-02 ppm1 3.895 ppm2 8.730 CV 1 OR { 1599} (( segid " " and resid 75 and name HA )) (( segid " " and resid 76 and name HN )) OR { 1599} (( segid " " and resid 45 and name HA )) (( segid " " and resid 49 and name HN )) ASSI { 1600} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HN )) 3.200 1.300 1.300 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.81610E-03 ppm1 3.909 ppm2 8.313 CV 1 OR { 1600} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HN )) ASSI { 1602} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HN )) 3.000 1.100 1.100 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.15143E-02 ppm1 3.903 ppm2 8.266 CV 1 OR { 1602} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HN )) ASSI { 1607} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HG )) 3.200 1.300 1.300 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.32661E-02 ppm1 3.897 ppm2 1.686 CV 1 OR { 1607} (( segid " " and resid 75 and name HA )) (( segid " " and resid 74 and name HB2 )) ASSI { 1608} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB2 )) 2.200 0.600 0.600 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.88065E-02 ppm1 3.901 ppm2 1.537 CV 1 OR { 1608} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB2 )) OR { 1608} (( segid " " and resid 45 and name HA )) ( segid " " and resid 44 and name HB% ) ASSI { 1610} (( segid " " and resid 75 and name HA )) ( segid " " and resid 75 and name HD1%) 2.100 0.500 0.500 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.77899E-02 ppm1 3.896 ppm2 0.794 CV 1 OR { 1610} (( segid " " and resid 75 and name HA )) ( segid " " and resid 78 and name HD1%) ASSI { 1621} (( segid " " and resid 45 and name HA )) ( segid " " and resid 48 and name HG2%) 4.300 2.300 1.700 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.10078E-02 ppm1 3.899 ppm2 1.132 CV 1 OR { 1621} (( segid " " and resid 75 and name HA )) ( segid " " and resid 10 and name HD2%) ASSI { 1622} (( segid " " and resid 75 and name HA )) ( segid " " and resid 74 and name HD2%) 3.900 1.900 1.900 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.13184E-02 ppm1 3.899 ppm2 1.081 CV 1 OR { 1622} (( segid " " and resid 75 and name HA )) ( segid " " and resid 10 and name HD1%) OR { 1622} (( segid " " and resid 75 and name HA )) ( segid " " and resid 10 and name HD2%) ASSI { 1628} (( segid " " and resid 40 and name HA )) ( segid " " and resid 44 and name HB% ) 3.100 1.200 1.200 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.25377E-02 ppm1 4.583 ppm2 1.517 CV 1 OR { 1628} (( segid " " and resid 40 and name HA )) (( segid " " and resid 38 and name HG12)) ASSI { 1630} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB1 )) 2.600 0.800 0.800 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.35228E-02 ppm1 4.562 ppm2 3.027 CV 1 OR { 1630} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB1 )) ASSI { 1633} (( segid " " and resid 52 and name HA )) ( segid " " and resid 52 and name HD1%) 3.900 1.900 1.900 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.13499E-02 ppm1 4.316 ppm2 0.861 CV 1 OR { 1633} (( segid " " and resid 77 and name HA )) ( segid " " and resid 60 and name HD1%) OR { 1633} (( segid " " and resid 74 and name HA )) ( segid " " and resid 75 and name HD2%) OR { 1633} (( segid " " and resid 52 and name HA )) ( segid " " and resid 78 and name HG2%) OR { 1633} (( segid " " and resid 74 and name HA )) ( segid " " and resid 60 and name HD1%) OR { 1633} (( segid " " and resid 74 and name HA )) ( segid " " and resid 52 and name HD1%) ASSI { 1634} (( segid " " and resid 52 and name HA )) ( segid " " and resid 52 and name HD2%) 1.900 0.500 0.500 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.15799E-01 ppm1 4.317 ppm2 1.055 CV 1 OR { 1634} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HD2%) ASSI { 1636} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB2 )) 3.100 1.200 1.200 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.20981E-02 ppm1 4.320 ppm2 1.425 CV 1 OR { 1636} (( segid " " and resid 74 and name HA )) ( segid " " and resid 65 and name HB% ) ASSI { 1637} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB2 )) 2.300 0.700 0.700 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.54625E-02 ppm1 4.315 ppm2 1.695 CV 1 OR { 1637} (( segid " " and resid 52 and name HA )) ( segid " " and resid 13 and name HB% ) OR { 1637} (( segid " " and resid 74 and name HA )) (( segid " " and resid 78 and name HG11)) ASSI { 1638} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB1 )) 2.300 0.700 0.700 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.55728E-02 ppm1 4.281 ppm2 2.036 CV 1 OR { 1638} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HG )) ASSI { 1639} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB1 )) 2.200 0.600 0.600 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.70641E-02 ppm1 4.280 ppm2 1.908 CV 1 OR { 1639} (( segid " " and resid 52 and name HA )) (( segid " " and resid 55 and name HB1 )) OR { 1639} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB2 )) ASSI { 1641} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB1 )) 2.600 0.800 0.800 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.20046E-02 ppm1 4.323 ppm2 2.209 CV 1 OR { 1641} (( segid " " and resid 52 and name HA )) (( segid " " and resid 51 and name HB1 )) ASSI { 1647} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HN )) 2.500 0.800 0.800 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.45154E-02 ppm1 4.280 ppm2 8.008 CV 1 OR { 1647} (( segid " " and resid 74 and name HA )) (( segid " " and resid 77 and name HN )) OR { 1647} (( segid " " and resid 52 and name HA )) (( segid " " and resid 54 and name HN )) ASSI { 1648} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HN )) 2.800 1.000 1.000 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.18415E-02 ppm1 4.324 ppm2 8.422 CV 1 OR { 1648} (( segid " " and resid 77 and name HA )) (( segid " " and resid 80 and name HN )) ASSI { 1649} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HN )) 2.500 0.800 0.800 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.51801E-02 ppm1 4.270 ppm2 8.247 CV 1 OR { 1649} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HN )) OR { 1649} (( segid " " and resid 46 and name HA )) (( segid " " and resid 50 and name HN )) ASSI { 1650} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HN )) 3.000 1.200 1.200 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.12606E-02 ppm1 4.281 ppm2 8.440 CV 1 OR { 1650} (( segid " " and resid 77 and name HA )) (( segid " " and resid 80 and name HN )) OR { 1650} (( segid " " and resid 43 and name HA )) (( segid " " and resid 45 and name HN )) ASSI { 1651} (( segid " " and resid 52 and name HA )) (( segid " " and resid 55 and name HN )) 3.500 1.600 1.600 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.87019E-03 ppm1 4.323 ppm2 8.115 CV 1 OR { 1651} (( segid " " and resid 52 and name HA )) (( segid " " and resid 51 and name HN )) ASSI { 1652} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB2 )) 2.200 0.600 0.600 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.91794E-02 ppm1 4.268 ppm2 2.315 CV 1 OR { 1652} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB1 )) OR { 1652} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HB1 )) ASSI { 1653} (( segid " " and resid 77 and name HA )) ( segid " " and resid 77 and name HD2%) 2.300 0.700 0.700 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.10759E-01 ppm1 4.280 ppm2 0.962 CV 1 OR { 1653} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HG )) OR { 1653} (( segid " " and resid 74 and name HA )) ( segid " " and resid 77 and name HD1%) OR { 1653} (( segid " " and resid 43 and name HA )) ( segid " " and resid 43 and name HD1%) OR { 1653} (( segid " " and resid 77 and name HA )) ( segid " " and resid 77 and name HD1%) ASSI { 1656} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HN )) 3.000 1.100 1.100 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.23056E-02 ppm1 4.204 ppm2 7.797 CV 1 OR { 1656} (( segid " " and resid 16 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 1657} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HN )) 2.700 0.900 0.900 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.31099E-02 ppm1 4.241 ppm2 7.831 CV 1 OR { 1657} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HN )) OR { 1657} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HN )) OR { 1657} (( segid " " and resid 16 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 1659} (( segid " " and resid 46 and name HA )) (( segid " " and resid 49 and name HN )) 2.900 1.000 1.000 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.25003E-02 ppm1 4.244 ppm2 8.719 CV 1 OR { 1659} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HN )) OR { 1659} (( segid " " and resid 73 and name HA )) (( segid " " and resid 75 and name HN )) ASSI { 1660} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HG1 )) 3.100 1.200 1.200 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.36173E-02 ppm1 4.231 ppm2 2.632 CV 1 OR { 1660} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HG1 )) ASSI { 1661} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HG2 )) 2.600 0.800 0.800 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.44884E-02 ppm1 4.250 ppm2 2.756 CV 1 OR { 1661} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HB1 )) OR { 1661} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HB2 )) OR { 1661} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HG2 )) ASSI { 1666} (( segid " " and resid 16 and name HA )) ( segid " " and resid 15 and name HG1%) 3.400 1.500 1.500 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.10839E-02 ppm1 4.203 ppm2 1.032 CV 1 OR { 1666} (( segid " " and resid 73 and name HA )) ( segid " " and resid 74 and name HD2%) ASSI { 1678} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HN )) 2.500 0.800 0.800 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.58125E-02 ppm1 4.577 ppm2 7.799 CV 1 OR { 1678} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 1682} (( segid " " and resid 53 and name HA )) ( segid " " and resid 78 and name HD1%) 4.400 2.400 1.600 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.66349E-03 ppm1 4.106 ppm2 0.806 CV 1 OR { 1682} (( segid " " and resid 53 and name HA )) ( segid " " and resid 60 and name HD1%) ASSI { 1683} (( segid " " and resid 12 and name HA )) ( segid " " and resid 15 and name HG2%) 2.600 0.900 0.900 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.39409E-02 ppm1 4.033 ppm2 1.113 CV 1 OR { 1683} (( segid " " and resid 12 and name HA )) (( segid " " and resid 11 and name HG2 )) ASSI { 1695} (( segid " " and resid 53 and name HA )) (( segid " " and resid 56 and name HN )) 3.300 1.400 1.400 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.80001E-03 ppm1 4.107 ppm2 8.135 CV 1 OR { 1695} (( segid " " and resid 53 and name HA )) (( segid " " and resid 55 and name HN )) ASSI { 1700} (( segid " " and resid 51 and name HA )) (( segid " " and resid 54 and name HN )) 3.400 1.400 1.400 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.11626E-02 ppm1 4.249 ppm2 8.026 CV 1 OR { 1700} (( segid " " and resid 73 and name HA )) (( segid " " and resid 77 and name HN )) ASSI { 1706} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HB2 )) 2.500 0.800 0.800 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.51956E-02 ppm1 3.611 ppm2 1.531 CV 1 OR { 1706} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG2 )) ASSI { 1708} (( segid " " and resid 72 and name HA )) ( segid " " and resid 31 and name HD2%) 4.400 2.400 1.600 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.66447E-03 ppm1 3.610 ppm2 0.786 CV 1 OR { 1708} (( segid " " and resid 72 and name HA )) ( segid " " and resid 75 and name HD1%) ASSI { 1710} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HN )) 3.000 1.100 1.100 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.16569E-02 ppm1 3.611 ppm2 8.725 CV 1 OR { 1710} (( segid " " and resid 72 and name HA )) (( segid " " and resid 76 and name HN )) ASSI { 1719} (( segid " " and resid 36 and name HA )) (( segid " " and resid 39 and name HN )) 3.200 1.300 1.300 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.14105E-02 ppm1 4.361 ppm2 7.731 CV 1 OR { 1719} (( segid " " and resid 36 and name HA )) (( segid " " and resid 38 and name HN )) ASSI { 1729} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 59 and name HB2 )) 2.800 1.000 1.000 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.36866E-02 ppm1 1.632 ppm2 3.745 CV 1 OR { 1729} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 78 and name HA )) ASSI { 1736} (( segid " " and resid 11 and name HA )) ( segid " " and resid 30 and name HE% ) 4.000 2.000 2.000 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.76473E-03 ppm1 3.517 ppm2 7.212 CV 1 OR { 1736} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HE )) ASSI { 1740} (( segid " " and resid 11 and name HA )) (( segid " " and resid 10 and name HG )) 3.500 1.500 1.500 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.10250E-02 ppm1 3.517 ppm2 1.889 CV 1 OR { 1740} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HG )) ASSI { 1741} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG1 )) 2.600 0.900 0.900 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.30488E-02 ppm1 3.517 ppm2 1.404 CV 1 OR { 1741} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HB2 )) ASSI { 1742} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG2 )) 2.700 0.900 0.900 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.41069E-02 ppm1 3.517 ppm2 1.132 CV 1 OR { 1742} (( segid " " and resid 11 and name HA )) ( segid " " and resid 15 and name HG2%) ASSI { 1743} (( segid " " and resid 11 and name HA )) ( segid " " and resid 10 and name HD1%) 4.700 2.700 1.300 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.41917E-03 ppm1 3.516 ppm2 1.034 CV 1 OR { 1743} (( segid " " and resid 11 and name HA )) ( segid " " and resid 15 and name HG1%) OR { 1743} (( segid " " and resid 11 and name HA )) ( segid " " and resid 52 and name HD2%) OR { 1743} (( segid " " and resid 11 and name HA )) ( segid " " and resid 33 and name HD2%) OR { 1743} (( segid " " and resid 11 and name HA )) ( segid " " and resid 74 and name HD1%) ASSI { 1744} (( segid " " and resid 11 and name HA )) ( segid " " and resid 14 and name HD2%) 3.200 1.300 1.300 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.19469E-02 ppm1 3.516 ppm2 0.905 CV 1 OR { 1744} (( segid " " and resid 11 and name HA )) ( segid " " and resid 75 and name HD2%) ASSI { 1745} (( segid " " and resid 11 and name HA )) ( segid " " and resid 26 and name HD2%) 3.300 1.400 1.400 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.11938E-02 ppm1 3.517 ppm2 0.793 CV 1 OR { 1745} (( segid " " and resid 11 and name HA )) ( segid " " and resid 14 and name HD1%) ASSI { 1762} (( segid " " and resid 71 and name HA )) ( segid " " and resid 74 and name HD1%) 3.700 1.700 1.700 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.12614E-02 ppm1 4.230 ppm2 0.989 CV 1 OR { 1762} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HG )) OR { 1762} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 43 and name HD1%) ASSI { 1767} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 14 and name HD2%) 2.900 1.000 1.000 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.15719E-02 ppm1 2.203 ppm2 0.881 CV 1 OR { 1767} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 38 and name HD1%) OR { 1767} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 75 and name HD2%) ASSI { 1769} (( segid " " and resid 52 and name HG )) ( segid " " and resid 52 and name HD2%) 2.400 0.700 0.700 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.38754E-02 ppm1 2.048 ppm2 1.036 CV 1 OR { 1769} (( segid " " and resid 52 and name HG )) ( segid " " and resid 10 and name HD1%) ASSI { 1777} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HN )) 3.200 1.200 1.200 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.19215E-02 ppm1 3.914 ppm2 8.238 CV 1 OR { 1777} (( segid " " and resid 15 and name HA )) (( segid " " and resid 19 and name HN )) ASSI { 1778} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HN )) 4.000 2.000 2.000 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.33314E-03 ppm1 3.912 ppm2 7.799 CV 1 OR { 1778} (( segid " " and resid 15 and name HA )) (( segid " " and resid 17 and name HN )) ASSI { 1782} (( segid " " and resid 71 and name HA )) (( segid " " and resid 75 and name HN )) 4.000 2.000 2.000 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.45949E-03 ppm1 4.241 ppm2 8.733 CV 1 OR { 1782} (( segid " " and resid 71 and name HA )) (( segid " " and resid 76 and name HN )) ASSI { 1791} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB1 )) 2.100 0.600 0.600 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.16635E-01 ppm1 4.382 ppm2 4.110 CV 1 OR { 1791} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB2 )) OR { 1791} (( segid " " and resid 54 and name HA )) (( segid " " and resid 57 and name HA2 )) ASSI { 1794} (( segid " " and resid 54 and name HA )) (( segid " " and resid 55 and name HN )) 3.700 1.700 1.700 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.74596E-03 ppm1 4.383 ppm2 8.124 CV 1 OR { 1794} (( segid " " and resid 54 and name HA )) (( segid " " and resid 56 and name HN )) ASSI { 1799} (( segid " " and resid 68 and name HA )) (( segid " " and resid 70 and name HN )) 4.200 2.200 1.800 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.13854E-02 ppm1 4.466 ppm2 7.475 CV 1 OR { 1799} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HN )) ASSI { 1806} (( segid " " and resid 38 and name HA )) ( segid " " and resid 38 and name HG2%) 2.500 0.800 0.800 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.49071E-02 ppm1 4.667 ppm2 1.063 CV 1 OR { 1806} (( segid " " and resid 38 and name HA )) ( segid " " and resid 33 and name HD2%) ASSI { 1815} (( segid " " and resid 35 and name HA )) (( segid " " and resid 40 and name HB1 )) 4.100 2.100 1.900 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.12378E-02 ppm1 4.391 ppm2 3.005 CV 1 OR { 1815} (( segid " " and resid 35 and name HA )) (( segid " " and resid 37 and name HB2 )) ASSI { 1818} (( segid " " and resid 35 and name HA )) ( segid " " and resid 40 and name HD% ) 4.100 2.100 1.900 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.13847E-02 ppm1 4.388 ppm2 6.969 CV 1 OR { 1818} (( segid " " and resid 35 and name HA )) ( segid " " and resid 35 and name HE% ) ASSI { 1821} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HN )) 4.000 2.000 2.000 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.80169E-03 ppm1 4.388 ppm2 7.727 CV 1 OR { 1821} (( segid " " and resid 35 and name HA )) (( segid " " and resid 39 and name HN )) ASSI { 1836} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 55 and name HN )) 2.900 1.100 1.100 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.26578E-02 ppm1 4.106 ppm2 8.119 CV 1 OR { 1836} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 55 and name HN )) OR { 1836} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 56 and name HN )) ASSI { 1837} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HN )) 2.900 1.100 1.100 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.35825E-02 ppm1 4.149 ppm2 7.796 CV 1 OR { 1837} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 18 and name HN )) ASSI { 1838} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HN )) 2.600 0.800 0.800 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.36295E-02 ppm1 4.064 ppm2 7.796 CV 1 OR { 1838} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 18 and name HN )) ASSI { 1843} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HN )) 3.000 1.100 1.100 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.26679E-02 ppm1 4.030 ppm2 8.213 CV 1 OR { 1843} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 16 and name HN )) ASSI { 1847} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HN )) 2.500 0.800 0.800 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.35863E-02 ppm1 3.748 ppm2 8.281 CV 1 OR { 1847} (( segid " " and resid 78 and name HA )) (( segid " " and resid 82 and name HN )) ASSI { 1848} (( segid " " and resid 78 and name HA )) (( segid " " and resid 81 and name HN )) 3.200 1.300 1.300 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.97171E-03 ppm1 3.749 ppm2 7.601 CV 1 OR { 1848} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 81 and name HN )) ASSI { 1857} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 60 and name HA )) 4.000 2.000 2.000 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.70257E-03 ppm1 3.805 ppm2 4.668 CV 1 OR { 1857} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 58 and name HA )) ASSI { 1859} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 58 and name HA )) 3.900 1.900 1.900 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.77753E-03 ppm1 3.755 ppm2 4.666 CV 1 OR { 1859} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HA )) ASSI { 1861} (( segid " " and resid 64 and name HA )) (( segid " " and resid 61 and name HB2 )) 4.700 2.700 1.300 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.61667E-03 ppm1 3.811 ppm2 2.057 CV 1 OR { 1861} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HB1 )) ASSI { 1863} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HG1 )) 3.500 1.600 1.600 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.12219E-02 ppm1 3.812 ppm2 1.755 CV 1 OR { 1863} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HG2 )) OR { 1863} (( segid " " and resid 64 and name HA )) (( segid " " and resid 60 and name HB )) ASSI { 1864} (( segid " " and resid 78 and name HA )) (( segid " " and resid 77 and name HG )) 4.200 2.200 1.800 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.48475E-03 ppm1 3.750 ppm2 1.843 CV 1 OR { 1864} (( segid " " and resid 78 and name HA )) (( segid " " and resid 82 and name HG )) ASSI { 1865} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB )) 2.700 0.900 0.900 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.26730E-02 ppm1 3.748 ppm2 1.934 CV 1 OR { 1865} (( segid " " and resid 78 and name HA )) (( segid " " and resid 77 and name HB2 )) ASSI { 1872} (( segid " " and resid 78 and name HA )) ( segid " " and resid 74 and name HD2%) 4.400 2.400 1.600 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.55540E-03 ppm1 3.749 ppm2 1.061 CV 1 OR { 1872} (( segid " " and resid 78 and name HA )) ( segid " " and resid 10 and name HD1%) ASSI { 1873} (( segid " " and resid 78 and name HA )) ( segid " " and resid 58 and name HG1%) 2.800 1.000 1.000 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.23594E-02 ppm1 3.750 ppm2 0.976 CV 1 OR { 1873} (( segid " " and resid 78 and name HA )) ( segid " " and resid 58 and name HG2%) ASSI { 1874} (( segid " " and resid 78 and name HA )) ( segid " " and resid 78 and name HG2%) 2.300 0.600 0.600 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.83833E-02 ppm1 3.748 ppm2 0.867 CV 1 OR { 1874} (( segid " " and resid 78 and name HA )) ( segid " " and resid 60 and name HD1%) ASSI { 1877} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 44 and name HB% ) 3.800 1.800 1.800 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.67104E-03 ppm1 4.149 ppm2 1.524 CV 1 OR { 1877} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 18 and name HB% ) ASSI { 1878} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 18 and name HB% ) 4.000 2.000 2.000 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.70135E-03 ppm1 4.062 ppm2 1.524 CV 1 OR { 1878} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 44 and name HB% ) ASSI { 1879} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 16 and name HB1 )) 3.900 1.900 1.900 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.51961E-03 ppm1 4.148 ppm2 2.199 CV 1 OR { 1879} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 47 and name HB2 )) OR { 1879} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 51 and name HB1 )) ASSI { 1880} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 16 and name HB1 )) 3.600 1.600 1.600 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.59410E-03 ppm1 4.065 ppm2 2.202 CV 1 OR { 1880} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 47 and name HB2 )) OR { 1880} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 51 and name HB1 )) ASSI { 1882} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 48 and name HG2%) 4.100 2.100 1.900 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.35080E-03 ppm1 4.067 ppm2 1.100 CV 1 OR { 1882} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 11 and name HG2 )) ASSI { 1914} (( segid " " and resid 13 and name HA )) (( segid " " and resid 12 and name HB2 )) 4.200 2.200 1.800 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.37615E-03 ppm1 4.404 ppm2 2.032 CV 1 OR { 1914} (( segid " " and resid 13 and name HA )) (( segid " " and resid 12 and name HB1 )) OR { 1914} (( segid " " and resid 4 and name HA )) (( segid " " and resid 82 and name HB1 )) OR { 1914} (( segid " " and resid 13 and name HA )) (( segid " " and resid 52 and name HG )) OR { 1914} (( segid " " and resid 13 and name HA )) (( segid " " and resid 11 and name HB1 )) ASSI { 1917} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HN )) 2.800 1.000 1.000 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.32431E-02 ppm1 4.403 ppm2 7.701 CV 1 OR { 1917} (( segid " " and resid 4 and name HA )) (( segid " " and resid 79 and name HD22)) ASSI { 1921} (( segid " " and resid 34 and name HA )) ( segid " " and resid 70 and name HG2%) 2.700 0.900 0.900 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.37931E-02 ppm1 4.738 ppm2 1.072 CV 1 OR { 1921} (( segid " " and resid 34 and name HA )) ( segid " " and resid 33 and name HD2%) ASSI { 1938} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HN )) 3.400 1.400 1.400 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.13073E-02 ppm1 4.631 ppm2 8.843 CV 1 OR { 1938} (( segid " " and resid 8 and name HA )) (( segid " " and resid 7 and name HN )) ASSI { 1944} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB2 )) 2.700 0.900 0.900 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.58674E-02 ppm1 4.560 ppm2 2.701 CV 1 OR { 1944} (( segid " " and resid 9 and name HA )) (( segid " " and resid 8 and name HB1 )) ASSI { 1945} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HB2 )) 2.600 0.800 0.800 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.47565E-02 ppm1 4.630 ppm2 2.049 CV 1 OR { 1945} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HB1 )) OR { 1945} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HB2 )) ASSI { 1946} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HB2 )) 3.000 1.100 1.100 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.26592E-02 ppm1 4.560 ppm2 2.032 CV 1 OR { 1946} (( segid " " and resid 9 and name HA )) (( segid " " and resid 11 and name HB1 )) OR { 1946} (( segid " " and resid 9 and name HA )) (( segid " " and resid 11 and name HB2 )) OR { 1946} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HB1 )) ASSI { 1950} (( segid " " and resid 30 and name HA )) ( segid " " and resid 33 and name HD2%) 3.100 1.200 1.200 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.45533E-02 ppm1 4.760 ppm2 1.064 CV 1 OR { 1950} (( segid " " and resid 30 and name HA )) ( segid " " and resid 38 and name HG2%) ASSI { 1953} (( segid " " and resid 60 and name HA )) ( segid " " and resid 60 and name HG2%) 2.500 0.800 0.800 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.49324E-02 ppm1 4.657 ppm2 1.022 CV 1 OR { 1953} (( segid " " and resid 60 and name HA )) ( segid " " and resid 64 and name HG2%) ASSI { 1954} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HG12)) 3.400 1.400 1.400 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.12304E-02 ppm1 4.650 ppm2 1.107 CV 1 OR { 1954} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HG2 )) ASSI { 1965} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 71 and name HD1 )) 3.300 1.400 1.400 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.27695E-02 ppm1 1.043 ppm2 4.036 CV 1 OR { 1965} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 12 and name HA )) OR { 1965} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 19 and name HA2 )) ASSI { 1973} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HN )) 2.900 1.000 1.000 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.18729E-02 ppm1 3.870 ppm2 8.861 CV 1 OR { 1973} (( segid " " and resid 7 and name HA )) (( segid " " and resid 11 and name HN )) ASSI { 1989} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HB1 )) 3.100 1.200 1.200 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.11794E-02 ppm1 3.959 ppm2 2.197 CV 1 OR { 1989} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HB1 )) ASSI { 1993} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HB2 )) 3.400 1.400 1.400 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.12417E-02 ppm1 3.960 ppm2 2.035 CV 1 OR { 1993} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HG )) ASSI { 1994} (( segid " " and resid 48 and name HA )) ( segid " " and resid 50 and name HB% ) 4.000 2.000 2.000 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.62727E-03 ppm1 3.959 ppm2 1.657 CV 1 OR { 1994} (( segid " " and resid 48 and name HA )) ( segid " " and resid 13 and name HB% ) ASSI { 1998} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HB2 )) 3.500 1.500 1.500 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.10337E-02 ppm1 3.871 ppm2 1.571 CV 1 OR { 1998} (( segid " " and resid 7 and name HA )) (( segid " " and resid 75 and name HB2 )) OR { 1998} (( segid " " and resid 7 and name HA )) (( segid " " and resid 72 and name HB2 )) ASSI { 2003} (( segid " " and resid 7 and name HA )) ( segid " " and resid 75 and name HD2%) 3.200 1.300 1.300 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.18214E-02 ppm1 3.871 ppm2 0.870 CV 1 OR { 2003} (( segid " " and resid 7 and name HA )) ( segid " " and resid 52 and name HD1%) ASSI { 2004} (( segid " " and resid 7 and name HA )) ( segid " " and resid 75 and name HD1%) 3.400 1.400 1.400 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.21157E-02 ppm1 3.871 ppm2 0.795 CV 1 OR { 2004} (( segid " " and resid 7 and name HA )) ( segid " " and resid 31 and name HD2%) ASSI { 2006} (( segid " " and resid 48 and name HB )) (( segid " " and resid 45 and name HA )) 2.700 0.900 0.900 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.31139E-02 ppm1 4.423 ppm2 3.918 CV 1 OR { 2006} (( segid " " and resid 48 and name HB )) (( segid " " and resid 49 and name HA )) ASSI { 2017} (( segid " " and resid 63 and name HA )) (( segid " " and resid 65 and name HN )) 3.800 1.800 1.800 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.75126E-03 ppm1 4.527 ppm2 8.248 CV 1 OR { 2017} (( segid " " and resid 63 and name HA )) (( segid " " and resid 46 and name HN )) ASSI { 2037} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HB1 )) 2.900 1.100 1.100 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.28086E-02 ppm1 1.124 ppm2 2.026 CV 1 OR { 2037} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HB1 )) OR { 2037} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HB2 )) ASSI { 2045} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name HA )) 3.000 1.100 1.100 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.42710E-02 ppm1 2.484 ppm2 4.355 CV 1 OR { 2045} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HA )) OR { 2045} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 36 and name HA )) OR { 2045} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 44 and name HA )) ASSI { 2049} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HN )) 3.700 1.800 1.800 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.17851E-02 ppm1 2.455 ppm2 8.514 CV 1 OR { 2049} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 34 and name HN )) ASSI { 2061} (( segid " " and resid 47 and name HG1 )) ( segid " " and resid 43 and name HD2%) 3.100 3.100 2.900 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.77284E-03 ppm1 2.607 ppm2 1.058 CV 1 OR { 2061} (( segid " " and resid 47 and name HG1 )) ( segid " " and resid 52 and name HD2%) ASSI { 2066} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 56 and name HD% ) 2.400 0.700 0.700 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.43360E-02 ppm1 2.801 ppm2 7.435 CV 1 OR { 2066} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 64 and name HN )) OR { 2066} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 64 and name HN )) ASSI { 2075} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 82 and name HD1%) 2.500 0.800 0.800 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.41146E-02 ppm1 3.454 ppm2 0.980 CV 1 OR { 2075} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 82 and name HD2%) ASSI { 2076} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 58 and name HG1%) 2.700 0.900 0.900 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.30924E-02 ppm1 2.801 ppm2 0.976 CV 1 OR { 2076} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 58 and name HG2%) OR { 2076} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 82 and name HD2%) OR { 2076} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 82 and name HD1%) ASSI { 2077} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 78 and name HG2%) 3.300 1.400 1.400 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.11855E-02 ppm1 3.453 ppm2 0.880 CV 1 OR { 2077} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 52 and name HD1%) ASSI { 2078} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 78 and name HG2%) 3.100 1.200 1.200 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.12697E-02 ppm1 2.802 ppm2 0.883 CV 1 OR { 2078} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 52 and name HD1%) OR { 2078} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 60 and name HD1%) ASSI { 2079} (( segid " " and resid 38 and name HB )) ( segid " " and resid 38 and name HG2%) 2.500 0.800 0.800 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.34537E-02 ppm1 2.461 ppm2 1.064 CV 1 OR { 2079} (( segid " " and resid 38 and name HB )) ( segid " " and resid 33 and name HD2%) ASSI { 2081} (( segid " " and resid 38 and name HB )) (( segid " " and resid 38 and name HG11)) 2.500 0.800 0.800 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.22605E-02 ppm1 2.460 ppm2 1.817 CV 1 OR { 2081} (( segid " " and resid 38 and name HB )) (( segid " " and resid 33 and name HG )) ASSI { 2086} (( segid " " and resid 38 and name HB )) (( segid " " and resid 38 and name HN )) 3.600 1.600 1.600 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.12690E-02 ppm1 2.458 ppm2 7.727 CV 1 OR { 2086} (( segid " " and resid 38 and name HB )) (( segid " " and resid 39 and name HN )) ASSI { 2089} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 76 and name HA )) 2.600 0.800 0.800 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.59471E-02 ppm1 2.741 ppm2 4.515 CV 1 OR { 2089} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HA )) OR { 2089} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 76 and name HA )) ASSI { 2096} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 76 and name HN )) 2.600 0.900 0.900 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.40423E-02 ppm1 2.684 ppm2 8.689 CV 1 OR { 2096} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HN )) ASSI { 2100} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HN )) 3.100 1.200 1.200 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.35796E-02 ppm1 3.008 ppm2 8.059 CV 1 OR { 2100} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HN )) ASSI { 2114} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 54 and name HN )) 3.400 3.400 2.600 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.10807E-02 ppm1 3.452 ppm2 8.020 CV 1 OR { 2114} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 57 and name HN )) ASSI { 2118} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HN )) 5.400 3.700 0.600 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.16157E-03 ppm1 3.453 ppm2 8.479 CV 1 OR { 2118} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 35 and name HN )) ASSI { 2119} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HN )) 4.900 3.000 1.100 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.27951E-03 ppm1 3.351 ppm2 8.483 CV 1 OR { 2119} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 35 and name HN )) ASSI { 2133} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 64 and name HN )) 3.000 3.000 3.000 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.14687E-02 ppm1 3.274 ppm2 7.418 CV 1 OR { 2133} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 64 and name HN )) OR { 2133} (( segid " " and resid 51 and name HD2 )) ( segid " " and resid 56 and name HD% ) ASSI { 2142} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 23 and name HN )) 2.200 0.600 0.600 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.13764E-01 ppm1 4.073 ppm2 8.495 CV 1 OR { 2142} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 23 and name HN )) ASSI { 2165} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 40 and name HD% ) 4.100 2.100 1.900 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.72274E-03 ppm1 3.609 ppm2 6.951 CV 1 OR { 2165} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 35 and name HE% ) ASSI { 2167} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 35 and name HE% ) 4.800 2.800 1.200 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.57196E-03 ppm1 3.101 ppm2 6.938 CV 1 OR { 2167} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 40 and name HD% ) ASSI { 2171} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HA )) 3.200 1.300 1.300 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.15520E-02 ppm1 3.102 ppm2 4.383 CV 1 OR { 2171} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HA )) ASSI { 2190} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 4 and name HD2%) 4.800 2.900 1.200 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.29773E-03 ppm1 3.093 ppm2 0.972 CV 1 OR { 2190} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 82 and name HD2%) OR { 2190} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 82 and name HD1%) ASSI { 2192} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 4 and name HD1%) 4.100 2.100 1.900 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.14036E-02 ppm1 2.778 ppm2 0.880 CV 1 OR { 2192} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 78 and name HG2%) ASSI { 2193} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 82 and name HD2%) 4.000 2.000 2.000 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.13159E-02 ppm1 2.776 ppm2 0.964 CV 1 OR { 2193} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 58 and name HG1%) OR { 2193} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 82 and name HD1%) ASSI { 2199} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 73 and name HN )) 3.300 1.300 1.300 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.16592E-02 ppm1 2.644 ppm2 7.828 CV 1 OR { 2199} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 17 and name HN )) ASSI { 2210} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HG11)) 2.400 0.700 0.700 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.38170E-02 ppm1 1.950 ppm2 1.724 CV 1 OR { 2210} (( segid " " and resid 78 and name HB )) (( segid " " and resid 75 and name HG )) ASSI { 2212} (( segid " " and resid 78 and name HB )) ( segid " " and resid 75 and name HD1%) 2.600 0.800 0.800 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.35720E-02 ppm1 1.948 ppm2 0.801 CV 1 OR { 2212} (( segid " " and resid 78 and name HB )) ( segid " " and resid 78 and name HD1%) ASSI { 2219} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 5 and name HG )) 3.400 1.400 1.400 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.13544E-02 ppm1 7.443 ppm2 1.602 CV 1 OR { 2219} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 82 and name HB2 )) OR { 2219} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 5 and name HB1 )) OR { 2219} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 81 and name HB% ) ASSI { 2220} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 55 and name HB1 )) 3.500 1.600 1.600 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.53058E-03 ppm1 7.440 ppm2 1.889 CV 1 OR { 2220} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 10 and name HG )) ASSI { 2224} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 11 and name HB2 )) 4.200 2.200 1.800 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.73878E-03 ppm1 7.316 ppm2 2.018 CV 1 OR { 2224} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 71 and name HB2 )) OR { 2224} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 11 and name HB1 )) ASSI { 2226} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 52 and name HD2%) 2.900 1.100 1.100 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.43598E-02 ppm1 7.443 ppm2 1.015 CV 1 OR { 2226} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 82 and name HD2%) OR { 2226} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 82 and name HD1%) ASSI { 2227} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 78 and name HG2%) 3.100 1.200 1.200 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.12232E-02 ppm1 7.443 ppm2 0.873 CV 1 OR { 2227} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 52 and name HD1%) ASSI { 2231} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 53 and name HA )) 3.800 1.800 1.800 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.47016E-03 ppm1 7.442 ppm2 4.103 CV 1 OR { 2231} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 55 and name HA )) OR { 2231} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 57 and name HA1 )) ASSI { 2237} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 71 and name HG2 )) 3.100 1.200 1.200 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.15593E-02 ppm1 7.316 ppm2 1.378 CV 1 OR { 2237} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 7 and name HG2%) OR { 2237} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 33 and name HB2 )) OR { 2237} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 11 and name HG1 )) ASSI { 2238} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 33 and name HD2%) 3.600 1.600 1.600 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.91569E-03 ppm1 7.315 ppm2 1.074 CV 1 OR { 2238} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 38 and name HG2%) ASSI { 2239} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 14 and name HD2%) 3.300 1.300 1.300 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.12874E-02 ppm1 7.316 ppm2 0.887 CV 1 OR { 2239} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 38 and name HD1%) ASSI { 2240} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 26 and name HD2%) 4.300 2.300 1.700 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.51116E-03 ppm1 7.315 ppm2 0.793 CV 1 OR { 2240} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 14 and name HD1%) OR { 2240} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 31 and name HD2%) ASSI { 2244} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 44 and name HB% ) 2.700 0.900 0.900 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.46818E-02 ppm1 6.975 ppm2 1.528 CV 1 OR { 2244} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 45 and name HB2 )) OR { 2244} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 38 and name HG12)) ASSI { 2245} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 11 and name HG2 )) 4.200 2.200 1.800 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.77256E-03 ppm1 7.317 ppm2 1.160 CV 1 OR { 2245} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 31 and name HG )) ASSI { 2246} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 38 and name HG2%) 3.200 1.300 1.300 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.57084E-03 ppm1 6.973 ppm2 1.067 CV 1 OR { 2246} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 33 and name HD2%) OR { 2246} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 74 and name HD2%) OR { 2246} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 43 and name HD2%) OR { 2246} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 10 and name HD1%) ASSI { 2248} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 14 and name HD1%) 3.400 1.500 1.500 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.10687E-02 ppm1 6.974 ppm2 0.761 CV 1 OR { 2248} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 26 and name HD2%) ASSI { 2256} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 7 and name HG2%) 3.700 1.700 1.700 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.53584E-03 ppm1 7.217 ppm2 1.386 CV 1 OR { 2256} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 11 and name HG1 )) OR { 2256} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 71 and name HG2 )) ASSI { 2257} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 10 and name HD2%) 4.000 2.000 2.000 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.52435E-03 ppm1 7.219 ppm2 1.124 CV 1 OR { 2257} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 11 and name HG2 )) ASSI { 2261} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 11 and name HB2 )) 3.600 1.600 1.600 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.41776E-03 ppm1 7.218 ppm2 2.028 CV 1 OR { 2261} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 11 and name HB1 )) OR { 2261} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 71 and name HB2 )) ASSI { 2265} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 71 and name HA )) 4.400 2.500 1.600 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.70243E-03 ppm1 7.122 ppm2 4.239 CV 1 OR { 2265} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 39 and name HA1 )) ASSI { 2268} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 40 and name HB1 )) 3.900 1.900 1.900 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.91935E-03 ppm1 7.127 ppm2 2.994 CV 1 ASSI { 2269} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 40 and name HB2 )) 3.800 1.800 1.800 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.78030E-03 ppm1 7.126 ppm2 2.787 CV 1 OR { 2269} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 71 and name HD2 )) ASSI { 2270} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 38 and name HD1%) 3.200 1.300 1.300 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.80925E-03 ppm1 7.130 ppm2 0.877 CV 1 OR { 2270} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 14 and name HD2%) ASSI { 2273} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 35 and name HA )) 4.100 2.100 1.900 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.91128E-03 ppm1 6.936 ppm2 4.386 CV 1 OR { 2273} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 14 and name HA )) ASSI { 2276} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 14 and name HD1%) 3.500 1.600 1.600 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.52416E-03 ppm1 6.934 ppm2 0.759 CV 1 OR { 2276} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 26 and name HD2%) ASSI { 2278} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 10 and name HD2%) 4.000 2.000 2.000 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.60935E-03 ppm1 6.933 ppm2 1.114 CV 1 OR { 2278} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 68 and name HG1%) OR { 2278} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 48 and name HG2%) ASSI { 2280} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 14 and name HD2%) 3.400 1.500 1.500 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.66081E-03 ppm1 6.932 ppm2 0.882 CV 1 OR { 2280} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 38 and name HD1%) ASSI { 2282} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 5 and name HG )) 3.300 1.400 1.400 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.93324E-03 ppm1 6.820 ppm2 1.587 CV 1 OR { 2282} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 5 and name HB1 )) OR { 2282} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 10 and name HB2 )) OR { 2282} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 82 and name HB2 )) ASSI { 2283} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HG1 )) 3.500 1.600 1.600 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.10185E-02 ppm1 6.820 ppm2 1.371 CV 1 OR { 2283} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 5 and name HB2 )) ASSI { 2284} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 52 and name HD2%) 2.200 0.600 0.600 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.62127E-02 ppm1 6.820 ppm2 1.032 CV 1 OR { 2284} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 10 and name HD1%) ASSI { 2285} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HG2 )) 3.200 1.300 1.300 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.14707E-02 ppm1 6.820 ppm2 0.963 CV 1 OR { 2285} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 82 and name HD2%) OR { 2285} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 82 and name HD1%) ASSI { 2286} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 52 and name HD1%) 3.700 1.700 1.700 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.81924E-03 ppm1 6.821 ppm2 0.869 CV 1 OR { 2286} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 78 and name HG2%) ASSI { 2288} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 18 and name HB% ) 2.600 0.800 0.800 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.47269E-02 ppm1 6.742 ppm2 1.532 CV 1 OR { 2288} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 44 and name HB% ) ASSI { 2291} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 38 and name HG2%) 3.100 1.200 1.200 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.94004E-03 ppm1 6.742 ppm2 1.075 CV 1 OR { 2291} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 33 and name HD2%) OR { 2291} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 10 and name HD2%) OR { 2291} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 10 and name HD1%) OR { 2291} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 52 and name HD2%) OR { 2291} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 74 and name HD2%) ASSI { 2292} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 38 and name HD1%) 2.900 1.000 1.000 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.18034E-02 ppm1 6.742 ppm2 0.877 CV 1 OR { 2292} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 14 and name HD2%) ASSI { 2294} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HB1 )) 4.200 2.200 1.800 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.34010E-03 ppm1 6.820 ppm2 1.891 CV 1 OR { 2294} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 10 and name HG )) ASSI { 2300} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 9 and name HB1 )) 3.200 1.300 1.300 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.13372E-02 ppm1 6.821 ppm2 3.022 CV 1 OR { 2300} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HD2 )) ASSI { 2306} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 45 and name HA )) 3.100 1.200 1.200 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.15680E-02 ppm1 6.743 ppm2 3.901 CV 1 OR { 2306} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 15 and name HA )) ASSI { 2310} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 45 and name HN )) 3.900 1.900 1.900 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.79302E-03 ppm1 6.743 ppm2 8.439 CV 1 OR { 2310} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 14 and name HN )) ASSI { 2314} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 7 and name HG2%) 3.400 1.400 1.400 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.97161E-03 ppm1 7.351 ppm2 1.386 CV 1 OR { 2314} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HG1 )) ASSI { 2315} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 10 and name HD2%) 3.800 1.800 1.800 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.84138E-03 ppm1 7.350 ppm2 1.127 CV 1 OR { 2315} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HG2 )) ASSI { 2316} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 14 and name HD2%) 4.400 2.400 1.600 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.34502E-03 ppm1 7.348 ppm2 0.906 CV 1 OR { 2316} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 75 and name HD2%) ASSI { 2329} (( segid " " and resid 35 and name HZ )) (( segid " " and resid 74 and name HB1 )) 4.100 2.100 1.900 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.46822E-03 ppm1 6.881 ppm2 2.431 CV 1 OR { 2329} (( segid " " and resid 35 and name HZ )) (( segid " " and resid 68 and name HB )) ASSI { 2332} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 14 and name HD1%) 4.300 2.300 1.700 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.54147E-03 ppm1 6.885 ppm2 0.762 CV 1 OR { 2332} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 26 and name HD2%) ASSI { 2334} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 10 and name HD2%) 3.700 1.700 1.700 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.64360E-03 ppm1 6.884 ppm2 1.090 CV 1 OR { 2334} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 10 and name HD1%) OR { 2334} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 70 and name HG2%) ASSI { 2335} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 14 and name HD2%) 4.500 2.500 1.500 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.42258E-03 ppm1 6.884 ppm2 0.884 CV 1 OR { 2335} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 75 and name HD2%) OR { 2335} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 38 and name HD1%) ASSI { 2351} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HA )) 2.700 0.900 0.900 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.28035E-02 ppm1 1.537 ppm2 3.895 CV 1 OR { 2351} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 66 and name HA2 )) ASSI { 2355} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 30 and name HB1 )) 3.300 1.400 1.400 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.20614E-02 ppm1 1.074 ppm2 3.290 CV 1 OR { 2355} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 51 and name HD2 )) ASSI { 2356} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 30 and name HB2 )) 2.800 1.000 1.000 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.15774E-02 ppm1 1.074 ppm2 3.010 CV 1 OR { 2356} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 37 and name HB2 )) ASSI { 2357} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 42 and name H28B)) 3.400 1.500 1.500 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.55535E-03 ppm1 1.067 ppm2 3.912 CV 1 OR { 2357} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 42 and name H28A)) OR { 2357} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 45 and name HA )) ASSI { 2358} (( segid " " and resid 64 and name HA )) (( segid " " and resid 65 and name HN )) 3.600 1.600 1.600 peak 2358 spectrum 1 weight 0.10000E+01 volume 0.11572E-02 ppm1 3.814 ppm2 8.249 CV 1 OR { 2358} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 60 and name HN )) ASSI { 2452} (( segid " " and resid 47 and name HG2 )) ( segid " " and resid 43 and name HD2%) 3.100 3.100 2.900 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.77284E-03 ppm1 2.607 ppm2 1.058 CV 1 OR { 2452} (( segid " " and resid 47 and name HG2 )) ( segid " " and resid 52 and name HD2%) ASSI { 2462} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 30 and name HE% ) 3.000 1.100 1.100 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.11698E-02 ppm1 2.261 ppm2 7.207 CV 1 OR { 2462} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 33 and name HN )) ASSI { 1} (( segid " " and resid 86 and name HN )) ( segid " " and resid 85 and name HB% ) 3.500 1.500 1.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.11056E-02 ppm1 7.953 ppm2 1.564 CV 1 ASSI { 5} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HA )) 3.200 1.300 1.300 peak 5 spectrum 1 weight 0.10000E+01 volume 0.15706E-02 ppm1 7.944 ppm2 4.223 CV 1 ASSI { 8} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HA )) 2.900 1.000 1.000 peak 8 spectrum 1 weight 0.10000E+01 volume 0.15201E-02 ppm1 9.421 ppm2 4.524 CV 1 ASSI { 11} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA2 )) 2.300 0.700 0.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.87136E-02 ppm1 8.253 ppm2 4.060 CV 1 OR { 11} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA1 )) ASSI { 12} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG12)) 4.100 2.100 1.900 peak 12 spectrum 1 weight 0.10000E+01 volume 0.66691E-03 ppm1 7.735 ppm2 1.549 CV 1 ASSI { 13} (( segid " " and resid 39 and name HN )) ( segid " " and resid 38 and name HG2%) 3.000 3.000 3.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.66513E-03 ppm1 7.735 ppm2 1.063 CV 1 ASSI { 14} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG11)) 3.600 1.600 1.600 peak 14 spectrum 1 weight 0.10000E+01 volume 0.65218E-03 ppm1 7.735 ppm2 1.823 CV 1 ASSI { 15} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB )) 3.800 1.800 1.800 peak 15 spectrum 1 weight 0.10000E+01 volume 0.73545E-03 ppm1 7.735 ppm2 2.461 CV 1 ASSI { 17} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA2 )) 2.400 0.700 0.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.43481E-02 ppm1 7.735 ppm2 3.885 CV 1 ASSI { 20} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 3.300 1.300 1.300 peak 20 spectrum 1 weight 0.10000E+01 volume 0.10081E-02 ppm1 7.735 ppm2 4.659 CV 1 ASSI { 21} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HN )) 3.100 1.200 1.200 peak 21 spectrum 1 weight 0.10000E+01 volume 0.32450E-02 ppm1 7.735 ppm2 8.043 CV 1 ASSI { 23} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 75 and name HD1%) 2.600 0.900 0.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.16443E-02 ppm1 7.675 ppm2 0.803 CV 1 ASSI { 24} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 4 and name HD1%) 3.300 1.300 1.300 peak 24 spectrum 1 weight 0.10000E+01 volume 0.14206E-02 ppm1 7.678 ppm2 0.898 CV 1 ASSI { 27} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HB2 )) 3.500 1.600 1.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.42158E-03 ppm1 7.674 ppm2 1.340 CV 1 ASSI { 28} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 4 and name HB2 )) 2.900 2.900 3.100 peak 28 spectrum 1 weight 0.10000E+01 volume 0.75370E-03 ppm1 7.675 ppm2 1.489 CV 1 ASSI { 29} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 79 and name HB1 )) 3.300 1.400 1.400 peak 29 spectrum 1 weight 0.10000E+01 volume 0.22338E-02 ppm1 7.675 ppm2 3.089 CV 1 ASSI { 33} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 79 and name HD22)) 1.700 0.300 0.500 peak 33 spectrum 1 weight 0.10000E+01 volume 0.10702E-01 ppm1 7.333 ppm2 7.671 CV 1 ASSI { 34} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HA )) 3.900 1.900 1.900 peak 34 spectrum 1 weight 0.10000E+01 volume 0.58538E-03 ppm1 7.476 ppm2 5.265 CV 1 ASSI { 35} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 3.300 1.400 1.400 peak 35 spectrum 1 weight 0.10000E+01 volume 0.47377E-03 ppm1 7.475 ppm2 4.942 CV 1 ASSI { 37} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HA )) 4.600 2.600 1.400 peak 37 spectrum 1 weight 0.10000E+01 volume 0.12160E-02 ppm1 7.476 ppm2 4.463 CV 1 ASSI { 39} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB1 )) 3.800 1.800 1.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.12578E-02 ppm1 7.476 ppm2 3.015 CV 1 ASSI { 40} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB2 )) 3.000 1.100 1.100 peak 40 spectrum 1 weight 0.10000E+01 volume 0.10791E-02 ppm1 7.476 ppm2 2.868 CV 1 ASSI { 41} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HG1 )) 3.300 1.400 1.400 peak 41 spectrum 1 weight 0.10000E+01 volume 0.78875E-03 ppm1 7.476 ppm2 2.639 CV 1 ASSI { 42} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HB1 )) 3.400 1.500 1.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.39247E-02 ppm1 7.476 ppm2 2.457 CV 1 ASSI { 43} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.700 0.900 0.900 peak 43 spectrum 1 weight 0.10000E+01 volume 0.14622E-02 ppm1 7.476 ppm2 2.276 CV 1 ASSI { 45} (( segid " " and resid 70 and name HN )) ( segid " " and resid 70 and name HG2%) 2.900 1.000 1.000 peak 45 spectrum 1 weight 0.10000E+01 volume 0.24043E-02 ppm1 7.476 ppm2 1.097 CV 1 ASSI { 47} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 4 and name HD1%) 3.100 1.200 1.200 peak 47 spectrum 1 weight 0.10000E+01 volume 0.86221E-03 ppm1 7.333 ppm2 0.899 CV 1 ASSI { 51} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 5 and name HB2 )) 3.800 1.800 1.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.77195E-03 ppm1 7.333 ppm2 1.339 CV 1 ASSI { 52} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 79 and name HB1 )) 2.900 1.000 1.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.14326E-02 ppm1 7.333 ppm2 3.087 CV 1 ASSI { 53} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 79 and name HB2 )) 3.500 1.600 1.600 peak 53 spectrum 1 weight 0.10000E+01 volume 0.11060E-02 ppm1 7.333 ppm2 2.771 CV 1 ASSI { 55} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 4 and name HA )) 4.600 2.600 1.400 peak 55 spectrum 1 weight 0.10000E+01 volume 0.41225E-03 ppm1 7.332 ppm2 4.381 CV 1 ASSI { 56} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 5 and name HN )) 3.100 1.200 1.200 peak 56 spectrum 1 weight 0.10000E+01 volume 0.15535E-02 ppm1 7.333 ppm2 9.419 CV 1 ASSI { 57} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HN )) 2.000 0.500 0.500 peak 57 spectrum 1 weight 0.10000E+01 volume 0.44905E-02 ppm1 7.476 ppm2 9.170 CV 1 ASSI { 59} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HN )) 3.100 1.200 1.200 peak 59 spectrum 1 weight 0.10000E+01 volume 0.92038E-03 ppm1 7.675 ppm2 9.420 CV 1 ASSI { 60} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 79 and name HN )) 3.800 1.800 1.800 peak 60 spectrum 1 weight 0.10000E+01 volume 0.62291E-03 ppm1 7.675 ppm2 8.884 CV 1 ASSI { 61} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 79 and name HN )) 3.700 1.700 1.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.46922E-03 ppm1 7.332 ppm2 8.882 CV 1 ASSI { 62} (( segid " " and resid 57 and name HN )) (( segid " " and resid 58 and name HN )) 2.800 1.000 1.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.30789E-02 ppm1 7.979 ppm2 7.494 CV 1 ASSI { 64} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 3.500 1.500 1.500 peak 64 spectrum 1 weight 0.10000E+01 volume 0.87061E-03 ppm1 7.981 ppm2 4.682 CV 1 ASSI { 65} (( segid " " and resid 57 and name HN )) (( segid " " and resid 54 and name HA )) 3.400 1.500 1.500 peak 65 spectrum 1 weight 0.10000E+01 volume 0.80563E-03 ppm1 7.980 ppm2 4.379 CV 1 ASSI { 67} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA2 )) 2.200 0.600 0.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.97166E-02 ppm1 7.980 ppm2 4.098 CV 1 OR { 67} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA1 )) ASSI { 68} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB1 )) 4.300 2.300 1.700 peak 68 spectrum 1 weight 0.10000E+01 volume 0.54841E-03 ppm1 7.981 ppm2 3.451 CV 1 ASSI { 69} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB2 )) 3.400 1.500 1.500 peak 69 spectrum 1 weight 0.10000E+01 volume 0.85958E-03 ppm1 7.980 ppm2 2.793 CV 1 ASSI { 72} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HB )) 4.300 2.400 1.700 peak 72 spectrum 1 weight 0.10000E+01 volume 0.45156E-03 ppm1 8.435 ppm2 1.940 CV 1 ASSI { 76} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB1 )) 3.800 1.800 1.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.10769E-02 ppm1 8.436 ppm2 3.088 CV 1 ASSI { 77} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.200 1.300 1.300 peak 77 spectrum 1 weight 0.10000E+01 volume 0.92024E-03 ppm1 8.436 ppm2 2.771 CV 1 ASSI { 79} (( segid " " and resid 80 and name HN )) (( segid " " and resid 77 and name HA )) 3.200 1.300 1.300 peak 79 spectrum 1 weight 0.10000E+01 volume 0.10599E-02 ppm1 8.436 ppm2 4.273 CV 1 ASSI { 80} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA1 )) 2.300 0.600 0.600 peak 80 spectrum 1 weight 0.10000E+01 volume 0.91677E-02 ppm1 8.436 ppm2 4.030 CV 1 OR { 80} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA2 )) ASSI { 81} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 3.800 1.800 1.800 peak 81 spectrum 1 weight 0.10000E+01 volume 0.37207E-03 ppm1 8.436 ppm2 4.908 CV 1 ASSI { 82} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HN )) 2.700 0.900 0.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.32296E-02 ppm1 8.436 ppm2 7.606 CV 1 ASSI { 83} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HN )) 2.700 0.900 0.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.26083E-02 ppm1 8.436 ppm2 8.884 CV 1 ASSI { 86} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.600 1.600 1.600 peak 86 spectrum 1 weight 0.10000E+01 volume 0.19409E-02 ppm1 8.590 ppm2 4.006 CV 1 OR { 86} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB1 )) ASSI { 89} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) 2.800 1.000 1.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.33548E-02 ppm1 8.086 ppm2 2.359 CV 1 ASSI { 90} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HB1 )) 4.100 2.100 1.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.13194E-02 ppm1 8.086 ppm2 1.781 CV 1 OR { 90} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HG )) ASSI { 91} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB1 )) 2.900 1.000 1.000 peak 91 spectrum 1 weight 0.10000E+01 volume 0.15930E-02 ppm1 8.086 ppm2 1.638 CV 1 ASSI { 92} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HG )) 4.100 2.100 1.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.47715E-03 ppm1 8.085 ppm2 1.187 CV 1 ASSI { 93} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.700 1.700 1.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.13852E-02 ppm1 8.085 ppm2 1.031 CV 1 ASSI { 95} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB1 )) 3.000 1.100 1.100 peak 95 spectrum 1 weight 0.10000E+01 volume 0.20614E-02 ppm1 8.086 ppm2 3.029 CV 1 ASSI { 96} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 3.500 1.500 1.500 peak 96 spectrum 1 weight 0.10000E+01 volume 0.88970E-03 ppm1 8.087 ppm2 5.047 CV 1 ASSI { 97} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HA )) 4.800 2.900 1.200 peak 97 spectrum 1 weight 0.10000E+01 volume 0.36096E-03 ppm1 8.086 ppm2 4.311 CV 1 ASSI { 98} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 3.100 1.200 1.200 peak 98 spectrum 1 weight 0.10000E+01 volume 0.12714E-02 ppm1 7.497 ppm2 4.674 CV 1 ASSI { 99} (( segid " " and resid 58 and name HN )) (( segid " " and resid 53 and name HA )) 2.600 0.800 0.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.42309E-02 ppm1 7.495 ppm2 4.102 CV 1 ASSI { 100} (( segid " " and resid 58 and name HN )) (( segid " " and resid 53 and name HG1 )) 4.000 2.000 2.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.61550E-03 ppm1 7.494 ppm2 2.785 CV 1 ASSI { 101} (( segid " " and resid 58 and name HN )) (( segid " " and resid 53 and name HG2 )) 4.700 2.800 1.300 peak 101 spectrum 1 weight 0.10000E+01 volume 0.40816E-03 ppm1 7.495 ppm2 2.340 CV 1 ASSI { 102} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB )) 3.600 1.600 1.600 peak 102 spectrum 1 weight 0.10000E+01 volume 0.10755E-02 ppm1 7.495 ppm2 2.132 CV 1 ASSI { 103} (( segid " " and resid 58 and name HN )) ( segid " " and resid 58 and name HG1%) 2.400 0.700 0.700 peak 103 spectrum 1 weight 0.10000E+01 volume 0.52913E-02 ppm1 7.495 ppm2 0.938 CV 1 ASSI { 106} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG11)) 2.900 1.100 1.100 peak 106 spectrum 1 weight 0.10000E+01 volume 0.25151E-02 ppm1 7.723 ppm2 1.822 CV 1 ASSI { 107} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG12)) 2.100 0.500 0.500 peak 107 spectrum 1 weight 0.10000E+01 volume 0.32371E-02 ppm1 7.723 ppm2 1.548 CV 1 ASSI { 109} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HD1%) 4.500 2.500 1.500 peak 109 spectrum 1 weight 0.10000E+01 volume 0.98400E-03 ppm1 7.723 ppm2 0.877 CV 1 ASSI { 112} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB )) 3.500 1.500 1.500 peak 112 spectrum 1 weight 0.10000E+01 volume 0.13008E-02 ppm1 7.723 ppm2 2.459 CV 1 ASSI { 113} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 3.900 1.900 1.900 peak 113 spectrum 1 weight 0.10000E+01 volume 0.41439E-03 ppm1 7.724 ppm2 4.808 CV 1 ASSI { 114} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 3.100 1.200 1.200 peak 114 spectrum 1 weight 0.10000E+01 volume 0.12213E-02 ppm1 7.726 ppm2 4.658 CV 1 ASSI { 115} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HA )) 3.600 1.600 1.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.12883E-02 ppm1 7.723 ppm2 4.379 CV 1 ASSI { 116} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HA2 )) 5.100 3.300 0.900 peak 116 spectrum 1 weight 0.10000E+01 volume 0.32744E-03 ppm1 7.720 ppm2 3.888 CV 1 ASSI { 118} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HA )) 3.100 1.200 1.200 peak 118 spectrum 1 weight 0.10000E+01 volume 0.14127E-02 ppm1 8.035 ppm2 4.249 CV 1 ASSI { 120} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HG1 )) 4.200 2.200 1.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.86517E-03 ppm1 8.035 ppm2 2.747 CV 1 ASSI { 121} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB1 )) 3.600 1.600 1.600 peak 121 spectrum 1 weight 0.10000E+01 volume 0.15818E-02 ppm1 8.036 ppm2 2.496 CV 1 ASSI { 122} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB2 )) 2.600 0.900 0.900 peak 122 spectrum 1 weight 0.10000E+01 volume 0.27194E-02 ppm1 8.035 ppm2 2.355 CV 1 OR { 122} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HG2 )) ASSI { 123} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HB1 )) 4.900 3.000 1.100 peak 123 spectrum 1 weight 0.10000E+01 volume 0.35728E-03 ppm1 8.035 ppm2 1.897 CV 1 ASSI { 124} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HB2 )) 4.500 2.600 1.500 peak 124 spectrum 1 weight 0.10000E+01 volume 0.55268E-03 ppm1 8.035 ppm2 1.637 CV 1 ASSI { 125} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HN )) 2.600 0.900 0.900 peak 125 spectrum 1 weight 0.10000E+01 volume 0.27885E-02 ppm1 8.036 ppm2 8.968 CV 1 ASSI { 126} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HN )) 2.700 0.900 0.900 peak 126 spectrum 1 weight 0.10000E+01 volume 0.21493E-02 ppm1 8.939 ppm2 7.790 CV 1 ASSI { 127} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA )) 2.600 0.900 0.900 peak 127 spectrum 1 weight 0.10000E+01 volume 0.34088E-02 ppm1 8.940 ppm2 4.736 CV 1 ASSI { 128} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB2 )) 2.800 1.000 1.000 peak 128 spectrum 1 weight 0.10000E+01 volume 0.36347E-02 ppm1 8.940 ppm2 4.339 CV 1 ASSI { 129} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 2.700 0.900 0.900 peak 129 spectrum 1 weight 0.10000E+01 volume 0.37398E-02 ppm1 8.939 ppm2 4.275 CV 1 ASSI { 130} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB1 )) 2.300 0.600 0.600 peak 130 spectrum 1 weight 0.10000E+01 volume 0.50793E-02 ppm1 8.940 ppm2 3.281 CV 1 ASSI { 131} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) 3.500 1.500 1.500 peak 131 spectrum 1 weight 0.10000E+01 volume 0.28640E-02 ppm1 8.939 ppm2 2.840 CV 1 ASSI { 132} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HB2 )) 5.000 3.100 1.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.36177E-03 ppm1 8.938 ppm2 1.860 CV 1 ASSI { 134} (( segid " " and resid 6 and name HN )) (( segid " " and resid 9 and name HB1 )) 3.600 1.600 1.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.20823E-02 ppm1 9.006 ppm2 3.039 CV 1 ASSI { 135} (( segid " " and resid 6 and name HN )) (( segid " " and resid 9 and name HB2 )) 2.900 1.000 1.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.14151E-02 ppm1 9.006 ppm2 2.702 CV 1 ASSI { 136} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB1 )) 3.300 1.400 1.400 peak 136 spectrum 1 weight 0.10000E+01 volume 0.20805E-02 ppm1 9.006 ppm2 1.581 CV 1 OR { 136} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HG )) ASSI { 138} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB2 )) 4.500 2.500 1.500 peak 138 spectrum 1 weight 0.10000E+01 volume 0.46891E-03 ppm1 9.006 ppm2 1.338 CV 1 ASSI { 139} (( segid " " and resid 6 and name HN )) ( segid " " and resid 5 and name HD2%) 3.200 1.300 1.300 peak 139 spectrum 1 weight 0.10000E+01 volume 0.16158E-02 ppm1 9.005 ppm2 0.651 CV 1 OR { 139} (( segid " " and resid 6 and name HN )) ( segid " " and resid 5 and name HD1%) ASSI { 141} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) 3.600 1.600 1.600 peak 141 spectrum 1 weight 0.10000E+01 volume 0.56525E-03 ppm1 9.008 ppm2 4.767 CV 1 ASSI { 142} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HA )) 2.300 0.600 0.600 peak 142 spectrum 1 weight 0.10000E+01 volume 0.64909E-02 ppm1 9.006 ppm2 4.529 CV 1 ASSI { 143} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HN )) 2.900 1.000 1.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.13769E-02 ppm1 9.559 ppm2 8.451 CV 1 ASSI { 145} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HN )) 2.700 0.900 0.900 peak 145 spectrum 1 weight 0.10000E+01 volume 0.20947E-02 ppm1 9.560 ppm2 7.545 CV 1 ASSI { 147} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HA )) 4.700 2.700 1.300 peak 147 spectrum 1 weight 0.10000E+01 volume 0.42942E-03 ppm1 9.561 ppm2 4.739 CV 1 ASSI { 149} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.700 1.700 1.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.11877E-02 ppm1 9.560 ppm2 3.608 CV 1 ASSI { 153} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB1 )) 2.700 0.900 0.900 peak 153 spectrum 1 weight 0.10000E+01 volume 0.32252E-02 ppm1 9.560 ppm2 2.265 CV 1 ASSI { 157} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HA )) 3.200 0.800 0.800 peak 157 spectrum 1 weight 0.10000E+01 volume 0.25060E-02 ppm1 9.170 ppm2 2.427 CV 1 ASSI { 158} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HA )) 2.400 0.700 0.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.61916E-02 ppm1 9.170 ppm2 4.463 CV 1 ASSI { 159} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB1 )) 3.400 1.400 1.400 peak 159 spectrum 1 weight 0.10000E+01 volume 0.28338E-02 ppm1 9.170 ppm2 3.015 CV 1 ASSI { 160} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB2 )) 2.800 0.500 0.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.25060E-02 ppm1 9.170 ppm2 2.427 CV 1 ASSI { 163} (( segid " " and resid 69 and name HN )) (( segid " " and resid 73 and name HB2 )) 3.500 1.500 1.500 peak 163 spectrum 1 weight 0.10000E+01 volume 0.55592E-03 ppm1 9.171 ppm2 2.275 CV 1 ASSI { 165} (( segid " " and resid 69 and name HN )) ( segid " " and resid 68 and name HG2%) 4.100 2.100 1.900 peak 165 spectrum 1 weight 0.10000E+01 volume 0.14835E-02 ppm1 9.170 ppm2 1.122 CV 1 ASSI { 171} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB )) 2.600 0.900 0.900 peak 171 spectrum 1 weight 0.10000E+01 volume 0.25765E-02 ppm1 8.861 ppm2 4.321 CV 1 ASSI { 172} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) 2.700 0.900 0.900 peak 172 spectrum 1 weight 0.10000E+01 volume 0.25485E-02 ppm1 8.862 ppm2 3.868 CV 1 ASSI { 173} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB )) 2.300 0.700 0.700 peak 173 spectrum 1 weight 0.10000E+01 volume 0.31302E-02 ppm1 8.861 ppm2 4.851 CV 1 ASSI { 174} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HA )) 2.700 0.900 0.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.35346E-02 ppm1 8.862 ppm2 4.771 CV 1 ASSI { 175} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HN )) 2.700 0.900 0.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.21536E-02 ppm1 8.862 ppm2 8.289 CV 1 ASSI { 176} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HN )) 2.500 0.800 0.800 peak 176 spectrum 1 weight 0.10000E+01 volume 0.32627E-02 ppm1 8.617 ppm2 7.405 CV 1 ASSI { 178} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 3.100 1.200 1.200 peak 178 spectrum 1 weight 0.10000E+01 volume 0.15652E-02 ppm1 8.617 ppm2 4.437 CV 1 ASSI { 182} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HB )) 4.500 2.500 1.500 peak 182 spectrum 1 weight 0.10000E+01 volume 0.71284E-03 ppm1 8.618 ppm2 2.191 CV 1 ASSI { 183} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HB2 )) 2.900 1.100 1.100 peak 183 spectrum 1 weight 0.10000E+01 volume 0.13388E-02 ppm1 8.617 ppm2 2.066 CV 1 ASSI { 184} (( segid " " and resid 63 and name HN )) ( segid " " and resid 64 and name HG2%) 4.500 2.500 1.500 peak 184 spectrum 1 weight 0.10000E+01 volume 0.80817E-03 ppm1 8.617 ppm2 1.021 CV 1 OR { 184} (( segid " " and resid 63 and name HN )) ( segid " " and resid 64 and name HG1%) ASSI { 185} (( segid " " and resid 34 and name HN )) ( segid " " and resid 33 and name HD1%) 2.800 0.900 0.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.40250E-02 ppm1 8.488 ppm2 0.952 CV 1 ASSI { 186} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB2 )) 3.800 1.800 1.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.18951E-02 ppm1 8.487 ppm2 1.404 CV 1 ASSI { 188} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG2 )) 3.100 1.200 1.200 peak 188 spectrum 1 weight 0.10000E+01 volume 0.17576E-02 ppm1 8.487 ppm2 1.618 CV 1 ASSI { 189} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB2 )) 2.400 0.700 0.700 peak 189 spectrum 1 weight 0.10000E+01 volume 0.35947E-02 ppm1 8.487 ppm2 1.906 CV 1 OR { 189} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG1 )) ASSI { 190} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HD1 )) 4.700 2.800 1.300 peak 190 spectrum 1 weight 0.10000E+01 volume 0.42927E-03 ppm1 8.487 ppm2 3.446 CV 1 ASSI { 191} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HD2 )) 4.400 2.400 1.600 peak 191 spectrum 1 weight 0.10000E+01 volume 0.46329E-03 ppm1 8.488 ppm2 3.340 CV 1 ASSI { 194} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HA )) 2.200 0.600 0.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.66569E-02 ppm1 8.487 ppm2 4.308 CV 1 ASSI { 196} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HN )) 4.600 2.600 1.400 peak 196 spectrum 1 weight 0.10000E+01 volume 0.46472E-03 ppm1 8.488 ppm2 7.223 CV 1 ASSI { 197} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB )) 2.300 0.700 0.700 peak 197 spectrum 1 weight 0.10000E+01 volume 0.43288E-02 ppm1 8.489 ppm2 2.131 CV 1 ASSI { 198} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB2 )) 2.600 0.900 0.900 peak 198 spectrum 1 weight 0.10000E+01 volume 0.36122E-02 ppm1 8.489 ppm2 3.776 CV 1 OR { 198} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB1 )) ASSI { 199} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 3.100 1.200 1.200 peak 199 spectrum 1 weight 0.10000E+01 volume 0.10996E-02 ppm1 8.487 ppm2 4.836 CV 1 ASSI { 202} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB2 )) 2.400 0.700 0.700 peak 202 spectrum 1 weight 0.10000E+01 volume 0.37188E-02 ppm1 8.490 ppm2 1.836 CV 1 ASSI { 204} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HB1 )) 3.300 3.300 2.700 peak 204 spectrum 1 weight 0.10000E+01 volume 0.34803E-03 ppm1 8.147 ppm2 2.840 CV 1 OR { 204} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HB2 )) ASSI { 205} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB )) 3.300 1.300 1.300 peak 205 spectrum 1 weight 0.10000E+01 volume 0.27433E-02 ppm1 8.148 ppm2 4.225 CV 1 ASSI { 206} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA1 )) 2.700 0.900 0.900 peak 206 spectrum 1 weight 0.10000E+01 volume 0.40572E-02 ppm1 8.148 ppm2 4.074 CV 1 OR { 206} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA2 )) ASSI { 208} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) 3.400 1.400 1.400 peak 208 spectrum 1 weight 0.10000E+01 volume 0.93788E-03 ppm1 7.996 ppm2 3.513 CV 1 ASSI { 209} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HD2 )) 4.800 2.900 1.200 peak 209 spectrum 1 weight 0.10000E+01 volume 0.57163E-03 ppm1 7.997 ppm2 3.328 CV 1 ASSI { 211} (( segid " " and resid 12 and name HN )) (( segid " " and resid 15 and name HB )) 4.300 2.300 1.700 peak 211 spectrum 1 weight 0.10000E+01 volume 0.45008E-03 ppm1 7.998 ppm2 2.281 CV 1 ASSI { 216} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG1 )) 2.300 0.700 0.700 peak 216 spectrum 1 weight 0.10000E+01 volume 0.31146E-02 ppm1 7.996 ppm2 1.953 CV 1 ASSI { 218} (( segid " " and resid 12 and name HN )) (( segid " " and resid 9 and name HA )) 3.300 1.300 1.300 peak 218 spectrum 1 weight 0.10000E+01 volume 0.11106E-02 ppm1 7.996 ppm2 4.576 CV 1 ASSI { 219} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 3.000 1.100 1.100 peak 219 spectrum 1 weight 0.10000E+01 volume 0.20198E-02 ppm1 7.795 ppm2 4.575 CV 1 ASSI { 221} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB1 )) 2.900 1.100 1.100 peak 221 spectrum 1 weight 0.10000E+01 volume 0.35208E-02 ppm1 7.795 ppm2 4.162 CV 1 ASSI { 222} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HA )) 3.900 1.900 1.900 peak 222 spectrum 1 weight 0.10000E+01 volume 0.50511E-03 ppm1 7.795 ppm2 3.914 CV 1 ASSI { 223} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB2 )) 2.700 0.900 0.900 peak 223 spectrum 1 weight 0.10000E+01 volume 0.23075E-02 ppm1 7.798 ppm2 4.063 CV 1 ASSI { 224} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG1 )) 4.700 2.800 1.300 peak 224 spectrum 1 weight 0.10000E+01 volume 0.48222E-03 ppm1 7.794 ppm2 2.623 CV 1 ASSI { 225} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG2 )) 4.200 2.200 1.800 peak 225 spectrum 1 weight 0.10000E+01 volume 0.54489E-03 ppm1 7.795 ppm2 2.397 CV 1 ASSI { 226} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HB )) 3.600 1.600 1.600 peak 226 spectrum 1 weight 0.10000E+01 volume 0.17921E-02 ppm1 7.795 ppm2 2.265 CV 1 ASSI { 227} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB2 )) 3.100 1.200 1.200 peak 227 spectrum 1 weight 0.10000E+01 volume 0.11788E-02 ppm1 7.794 ppm2 2.138 CV 1 ASSI { 228} (( segid " " and resid 17 and name HN )) ( segid " " and resid 18 and name HB% ) 4.200 2.200 1.800 peak 228 spectrum 1 weight 0.10000E+01 volume 0.80165E-03 ppm1 7.795 ppm2 1.535 CV 1 ASSI { 230} (( segid " " and resid 17 and name HN )) ( segid " " and resid 15 and name HG1%) 4.300 2.400 1.700 peak 230 spectrum 1 weight 0.10000E+01 volume 0.50009E-03 ppm1 7.798 ppm2 1.051 CV 1 ASSI { 231} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HG2% )) 2.800 0.800 0.800 peak 231 spectrum 1 weight 0.10000E+01 volume 0.38343E-03 ppm1 7.281 ppm2 2.078 CV 1 ASSI { 232} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HG1% )) 2.800 0.800 0.800 peak 232 spectrum 1 weight 0.10000E+01 volume 0.38343E-03 ppm1 7.281 ppm2 2.078 CV 1 ASSI { 233} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB )) 3.200 0.800 0.800 peak 233 spectrum 1 weight 0.10000E+01 volume 0.38343E-03 ppm1 7.281 ppm2 2.078 CV 1 ASSI { 234} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB1 )) 4.200 2.200 1.800 peak 234 spectrum 1 weight 0.10000E+01 volume 0.38343E-03 ppm1 7.281 ppm2 2.078 CV 1 ASSI { 235} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB2 )) 3.800 1.800 1.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.58439E-03 ppm1 7.279 ppm2 1.852 CV 1 ASSI { 236} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HG1 )) 4.800 2.800 1.200 peak 236 spectrum 1 weight 0.10000E+01 volume 0.38420E-03 ppm1 7.279 ppm2 1.747 CV 1 OR { 236} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HG2 )) ASSI { 238} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 3.400 1.400 1.400 peak 238 spectrum 1 weight 0.10000E+01 volume 0.77050E-03 ppm1 7.281 ppm2 4.622 CV 1 ASSI { 239} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA )) 2.800 0.800 0.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.77050E-03 ppm1 7.281 ppm2 4.622 CV 1 ASSI { 240} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB1 )) 2.800 0.800 0.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.23585E-02 ppm1 7.499 ppm2 1.852 CV 1 ASSI { 241} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB2 )) 2.500 0.800 0.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.23585E-02 ppm1 7.499 ppm2 1.852 CV 1 ASSI { 242} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG1 )) 2.900 1.000 1.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.21456E-02 ppm1 7.497 ppm2 1.763 CV 1 OR { 242} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG2 )) ASSI { 243} (( segid " " and resid 67 and name HN )) ( segid " " and resid 68 and name HG2%) 3.800 1.800 1.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.69455E-03 ppm1 7.491 ppm2 1.216 CV 1 ASSI { 245} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA2 )) 3.500 2.300 1.700 peak 245 spectrum 1 weight 0.10000E+01 volume 0.38504E-03 ppm1 7.506 ppm2 3.979 CV 1 ASSI { 246} (( segid " " and resid 67 and name HN )) (( segid " " and resid 65 and name HA )) 4.300 2.300 1.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.38504E-03 ppm1 7.506 ppm2 3.979 CV 1 ASSI { 247} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA1 )) 4.300 2.300 1.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.38504E-03 ppm1 7.506 ppm2 3.979 CV 1 ASSI { 248} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 3.200 1.200 1.200 peak 248 spectrum 1 weight 0.10000E+01 volume 0.11884E-02 ppm1 7.501 ppm2 4.620 CV 1 ASSI { 249} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HG )) 4.600 2.700 1.400 peak 249 spectrum 1 weight 0.10000E+01 volume 0.47818E-03 ppm1 8.215 ppm2 1.575 CV 1 ASSI { 250} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB1 )) 3.800 1.800 1.800 peak 250 spectrum 1 weight 0.10000E+01 volume 0.63661E-03 ppm1 8.215 ppm2 1.444 CV 1 ASSI { 251} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB2 )) 3.800 1.800 1.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.70731E-03 ppm1 8.215 ppm2 1.221 CV 1 ASSI { 252} (( segid " " and resid 27 and name HN )) ( segid " " and resid 33 and name HD2%) 4.700 2.700 1.300 peak 252 spectrum 1 weight 0.10000E+01 volume 0.31723E-03 ppm1 8.216 ppm2 1.080 CV 1 ASSI { 253} (( segid " " and resid 27 and name HN )) ( segid " " and resid 26 and name HD2%) 5.200 3.400 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.31577E-03 ppm1 8.215 ppm2 0.795 CV 1 ASSI { 254} (( segid " " and resid 27 and name HN )) ( segid " " and resid 26 and name HD1%) 4.600 2.700 1.400 peak 254 spectrum 1 weight 0.10000E+01 volume 0.52941E-03 ppm1 8.215 ppm2 0.695 CV 1 ASSI { 255} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HA )) 3.900 1.900 1.900 peak 255 spectrum 1 weight 0.10000E+01 volume 0.60095E-03 ppm1 8.215 ppm2 4.714 CV 1 ASSI { 257} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB1 )) 2.800 1.000 1.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.36658E-02 ppm1 8.214 ppm2 4.001 CV 1 OR { 257} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB2 )) ASSI { 258} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HN )) 2.700 0.900 0.900 peak 258 spectrum 1 weight 0.10000E+01 volume 0.24536E-02 ppm1 7.996 ppm2 8.848 CV 1 ASSI { 259} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB1 )) 3.900 1.900 1.900 peak 259 spectrum 1 weight 0.10000E+01 volume 0.87375E-03 ppm1 7.837 ppm2 1.860 CV 1 ASSI { 260} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HG1 )) 2.600 0.800 0.800 peak 260 spectrum 1 weight 0.10000E+01 volume 0.20039E-02 ppm1 7.838 ppm2 1.612 CV 1 OR { 260} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB2 )) ASSI { 263} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HG1 )) 2.900 1.100 1.100 peak 263 spectrum 1 weight 0.10000E+01 volume 0.26697E-02 ppm1 7.837 ppm2 2.642 CV 1 ASSI { 264} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HG2 )) 2.600 0.900 0.900 peak 264 spectrum 1 weight 0.10000E+01 volume 0.52458E-02 ppm1 7.837 ppm2 2.468 CV 1 OR { 264} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB1 )) ASSI { 265} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.20978E-02 ppm1 7.837 ppm2 2.275 CV 1 ASSI { 266} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HA )) 3.600 1.600 1.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.68643E-03 ppm1 7.837 ppm2 3.606 CV 1 ASSI { 267} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HD2 )) 5.200 3.300 0.800 peak 267 spectrum 1 weight 0.10000E+01 volume 0.33864E-03 ppm1 7.838 ppm2 3.013 CV 1 ASSI { 268} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 2.700 0.900 0.900 peak 268 spectrum 1 weight 0.10000E+01 volume 0.26062E-02 ppm1 7.837 ppm2 4.237 CV 1 ASSI { 269} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HG1 )) 3.500 1.600 1.600 peak 269 spectrum 1 weight 0.10000E+01 volume 0.16270E-02 ppm1 7.755 ppm2 2.519 CV 1 ASSI { 270} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB1 )) 2.600 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.39140E-02 ppm1 7.755 ppm2 2.128 CV 1 ASSI { 271} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB2 )) 2.600 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.39140E-02 ppm1 7.755 ppm2 2.128 CV 1 ASSI { 272} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB% )) 2.600 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.39140E-02 ppm1 7.755 ppm2 1.608 CV 1 ASSI { 273} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HG2 )) 3.700 1.700 1.700 peak 273 spectrum 1 weight 0.10000E+01 volume 0.14479E-02 ppm1 7.754 ppm2 2.471 CV 1 ASSI { 274} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HA )) 2.700 0.900 0.900 peak 274 spectrum 1 weight 0.10000E+01 volume 0.34626E-02 ppm1 7.755 ppm2 4.384 CV 1 ASSI { 278} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 3.100 1.200 1.200 peak 278 spectrum 1 weight 0.10000E+01 volume 0.15088E-02 ppm1 7.540 ppm2 4.810 CV 1 ASSI { 281} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB2 )) 2.600 0.900 0.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.23524E-02 ppm1 7.535 ppm2 1.027 CV 1 ASSI { 283} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.000 1.200 1.200 peak 283 spectrum 1 weight 0.10000E+01 volume 0.31175E-02 ppm1 7.546 ppm2 3.090 CV 1 ASSI { 284} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB2 )) 2.700 0.900 0.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.22054E-02 ppm1 7.545 ppm2 2.995 CV 1 ASSI { 285} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG1 )) 3.300 1.400 1.400 peak 285 spectrum 1 weight 0.10000E+01 volume 0.11944E-02 ppm1 7.546 ppm2 2.480 CV 1 OR { 285} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG2 )) ASSI { 290} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HG )) 3.300 1.400 1.400 peak 290 spectrum 1 weight 0.10000E+01 volume 0.37625E-02 ppm1 7.534 ppm2 1.189 CV 1 ASSI { 291} (( segid " " and resid 31 and name HN )) ( segid " " and resid 31 and name HD2%) 4.000 2.000 2.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.13295E-02 ppm1 7.534 ppm2 0.785 CV 1 ASSI { 294} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB1 )) 2.600 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.38753E-02 ppm1 7.534 ppm2 1.637 CV 1 ASSI { 295} (( segid " " and resid 31 and name HN )) (( segid " " and resid 71 and name HB2 )) 4.700 2.800 1.300 peak 295 spectrum 1 weight 0.10000E+01 volume 0.41520E-03 ppm1 7.534 ppm2 2.014 CV 1 ASSI { 298} (( segid " " and resid 64 and name HN )) ( segid " " and resid 65 and name HB% ) 4.400 2.400 1.600 peak 298 spectrum 1 weight 0.10000E+01 volume 0.62601E-03 ppm1 7.407 ppm2 1.391 CV 1 ASSI { 299} (( segid " " and resid 64 and name HN )) ( segid " " and resid 64 and name HG2%) 2.300 0.700 0.700 peak 299 spectrum 1 weight 0.10000E+01 volume 0.52599E-02 ppm1 7.408 ppm2 1.016 CV 1 OR { 299} (( segid " " and resid 64 and name HN )) ( segid " " and resid 64 and name HG1%) ASSI { 300} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB )) 2.400 0.700 0.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.48058E-02 ppm1 7.407 ppm2 2.213 CV 1 ASSI { 301} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HB2 )) 2.600 0.900 0.900 peak 301 spectrum 1 weight 0.10000E+01 volume 0.13521E-02 ppm1 7.407 ppm2 2.068 CV 1 ASSI { 302} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB1 )) 3.700 1.800 1.800 peak 302 spectrum 1 weight 0.10000E+01 volume 0.77627E-03 ppm1 7.407 ppm2 2.821 CV 1 ASSI { 303} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB2 )) 3.200 1.300 1.300 peak 303 spectrum 1 weight 0.10000E+01 volume 0.75553E-03 ppm1 7.407 ppm2 2.749 CV 1 ASSI { 309} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HN )) 2.400 0.700 0.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.42271E-02 ppm1 7.407 ppm2 8.248 CV 1 ASSI { 310} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HN )) 5.000 3.100 1.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.28573E-03 ppm1 7.407 ppm2 8.823 CV 1 ASSI { 312} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HN )) 2.400 0.700 0.700 peak 312 spectrum 1 weight 0.10000E+01 volume 0.46289E-02 ppm1 7.222 ppm2 8.087 CV 1 ASSI { 313} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) 3.700 1.700 1.700 peak 313 spectrum 1 weight 0.10000E+01 volume 0.63037E-03 ppm1 7.222 ppm2 5.045 CV 1 ASSI { 314} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HA )) 3.700 1.700 1.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.58660E-03 ppm1 7.221 ppm2 4.754 CV 1 ASSI { 316} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HA )) 2.800 1.000 1.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.23045E-02 ppm1 7.222 ppm2 4.308 CV 1 ASSI { 317} (( segid " " and resid 33 and name HN )) (( segid " " and resid 71 and name HD1 )) 3.800 1.800 1.800 peak 317 spectrum 1 weight 0.10000E+01 volume 0.67859E-03 ppm1 7.222 ppm2 4.032 CV 1 ASSI { 321} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 4.000 2.000 2.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.67250E-03 ppm1 7.221 ppm2 2.357 CV 1 ASSI { 323} (( segid " " and resid 33 and name HN )) (( segid " " and resid 71 and name HB2 )) 4.600 2.700 1.400 peak 323 spectrum 1 weight 0.10000E+01 volume 0.30427E-03 ppm1 7.221 ppm2 2.012 CV 1 ASSI { 324} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB1 )) 2.200 0.600 0.600 peak 324 spectrum 1 weight 0.10000E+01 volume 0.84945E-02 ppm1 7.221 ppm2 1.780 CV 1 OR { 324} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG )) ASSI { 325} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB2 )) 2.800 1.000 1.000 peak 325 spectrum 1 weight 0.10000E+01 volume 0.24882E-02 ppm1 7.222 ppm2 1.401 CV 1 ASSI { 336} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB1 )) 2.500 0.800 0.800 peak 336 spectrum 1 weight 0.10000E+01 volume 0.47382E-02 ppm1 7.703 ppm2 2.436 CV 1 ASSI { 340} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HN )) 2.600 0.800 0.800 peak 340 spectrum 1 weight 0.10000E+01 volume 0.30946E-02 ppm1 7.702 ppm2 8.420 CV 1 ASSI { 347} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB1 )) 2.400 0.700 0.700 peak 347 spectrum 1 weight 0.10000E+01 volume 0.42632E-02 ppm1 8.128 ppm2 2.198 CV 1 ASSI { 351} (( segid " " and resid 51 and name HN )) ( segid " " and resid 49 and name HB% ) 4.100 2.100 1.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.79738E-03 ppm1 8.133 ppm2 1.527 CV 1 ASSI { 354} (( segid " " and resid 48 and name HN )) ( segid " " and resid 48 and name HG2%) 4.100 2.100 1.900 peak 354 spectrum 1 weight 0.10000E+01 volume 0.11838E-02 ppm1 8.325 ppm2 1.116 CV 1 ASSI { 355} (( segid " " and resid 48 and name HN )) ( segid " " and resid 50 and name HB% ) 4.100 2.100 1.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.65472E-03 ppm1 8.327 ppm2 1.657 CV 1 ASSI { 359} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB2 )) 3.500 1.500 1.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.14989E-02 ppm1 8.324 ppm2 2.205 CV 1 ASSI { 360} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG2 )) 4.500 2.500 1.500 peak 360 spectrum 1 weight 0.10000E+01 volume 0.46922E-03 ppm1 8.325 ppm2 2.456 CV 1 ASSI { 361} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG1 )) 4.800 2.900 1.200 peak 361 spectrum 1 weight 0.10000E+01 volume 0.40370E-03 ppm1 8.326 ppm2 2.600 CV 1 ASSI { 362} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB )) 2.700 0.900 0.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.25999E-02 ppm1 8.325 ppm2 4.419 CV 1 ASSI { 366} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HN )) 2.700 0.900 0.900 peak 366 spectrum 1 weight 0.10000E+01 volume 0.24523E-02 ppm1 8.325 ppm2 8.739 CV 1 ASSI { 371} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB2 )) 2.500 0.800 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.25825E-02 ppm1 8.421 ppm2 1.420 CV 1 ASSI { 372} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB1 )) 2.500 0.800 0.800 peak 372 spectrum 1 weight 0.10000E+01 volume 0.50755E-02 ppm1 8.421 ppm2 1.994 CV 1 ASSI { 375} (( segid " " and resid 14 and name HN )) (( segid " " and resid 11 and name HA )) 3.400 1.400 1.400 peak 375 spectrum 1 weight 0.10000E+01 volume 0.77889E-03 ppm1 8.421 ppm2 3.516 CV 1 ASSI { 380} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HN )) 2.600 0.900 0.900 peak 380 spectrum 1 weight 0.10000E+01 volume 0.27478E-02 ppm1 8.852 ppm2 8.078 CV 1 ASSI { 381} (( segid " " and resid 11 and name HN )) (( segid " " and resid 30 and name HZ )) 3.300 1.300 1.300 peak 381 spectrum 1 weight 0.10000E+01 volume 0.13152E-02 ppm1 8.852 ppm2 7.342 CV 1 ASSI { 384} (( segid " " and resid 11 and name HN )) (( segid " " and resid 8 and name HA )) 3.300 1.400 1.400 peak 384 spectrum 1 weight 0.10000E+01 volume 0.10338E-02 ppm1 8.851 ppm2 4.624 CV 1 ASSI { 385} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA )) 3.500 1.500 1.500 peak 385 spectrum 1 weight 0.10000E+01 volume 0.76473E-03 ppm1 8.852 ppm2 4.219 CV 1 ASSI { 386} (( segid " " and resid 11 and name HN )) (( segid " " and resid 7 and name HA )) 4.300 2.300 1.700 peak 386 spectrum 1 weight 0.10000E+01 volume 0.30980E-03 ppm1 8.850 ppm2 3.871 CV 1 ASSI { 387} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) 2.800 1.000 1.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.22728E-02 ppm1 8.852 ppm2 3.515 CV 1 ASSI { 388} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HD1 )) 4.800 2.900 1.200 peak 388 spectrum 1 weight 0.10000E+01 volume 0.50234E-03 ppm1 8.852 ppm2 3.213 CV 1 OR { 388} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HD2 )) ASSI { 390} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB1 )) 2.600 0.900 0.900 peak 390 spectrum 1 weight 0.10000E+01 volume 0.24883E-02 ppm1 8.853 ppm2 2.347 CV 1 ASSI { 391} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB1 )) 2.300 0.600 0.600 peak 391 spectrum 1 weight 0.10000E+01 volume 0.65575E-02 ppm1 8.852 ppm2 2.047 CV 1 OR { 391} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB2 )) ASSI { 392} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HG )) 3.900 1.900 1.900 peak 392 spectrum 1 weight 0.10000E+01 volume 0.56887E-03 ppm1 8.851 ppm2 1.895 CV 1 ASSI { 393} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.800 1.800 1.800 peak 393 spectrum 1 weight 0.10000E+01 volume 0.13359E-02 ppm1 8.852 ppm2 1.567 CV 1 ASSI { 404} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HG2 )) 3.300 1.400 1.400 peak 404 spectrum 1 weight 0.10000E+01 volume 0.35920E-02 ppm1 8.970 ppm2 2.348 CV 1 ASSI { 405} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB1 )) 3.300 1.400 1.400 peak 405 spectrum 1 weight 0.10000E+01 volume 0.20412E-02 ppm1 8.970 ppm2 2.247 CV 1 ASSI { 406} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HG )) 4.500 2.600 1.500 peak 406 spectrum 1 weight 0.10000E+01 volume 0.49568E-03 ppm1 8.968 ppm2 2.044 CV 1 ASSI { 407} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HG1 )) 2.500 0.800 0.800 peak 407 spectrum 1 weight 0.10000E+01 volume 0.24630E-02 ppm1 8.970 ppm2 2.748 CV 1 ASSI { 410} (( segid " " and resid 53 and name HN )) (( segid " " and resid 49 and name HA )) 4.300 2.300 1.700 peak 410 spectrum 1 weight 0.10000E+01 volume 0.36073E-03 ppm1 8.971 ppm2 3.953 CV 1 ASSI { 412} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HN )) 2.600 0.800 0.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.22249E-02 ppm1 8.970 ppm2 8.419 CV 1 ASSI { 413} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HN )) 2.800 1.000 1.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.15189E-02 ppm1 9.017 ppm2 7.834 CV 1 ASSI { 415} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HB )) 3.200 1.300 1.300 peak 415 spectrum 1 weight 0.10000E+01 volume 0.77294E-03 ppm1 9.017 ppm2 4.625 CV 1 ASSI { 418} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HD1 )) 4.100 2.100 1.900 peak 418 spectrum 1 weight 0.10000E+01 volume 0.71486E-03 ppm1 9.017 ppm2 4.033 CV 1 ASSI { 419} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HA )) 2.800 1.000 1.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.20928E-02 ppm1 9.016 ppm2 3.608 CV 1 ASSI { 420} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HD1 )) 5.500 3.800 0.500 peak 420 spectrum 1 weight 0.10000E+01 volume 0.23788E-03 ppm1 9.015 ppm2 3.491 CV 1 ASSI { 421} (( segid " " and resid 72 and name HN )) (( segid " " and resid 31 and name HA )) 3.700 1.700 1.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.12039E-02 ppm1 9.017 ppm2 3.297 CV 1 ASSI { 422} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HD2 )) 4.800 2.900 1.200 peak 422 spectrum 1 weight 0.10000E+01 volume 0.41739E-03 ppm1 9.013 ppm2 3.013 CV 1 ASSI { 423} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HD2 )) 3.400 1.500 1.500 peak 423 spectrum 1 weight 0.10000E+01 volume 0.41686E-03 ppm1 9.013 ppm2 2.786 CV 1 ASSI { 425} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB1 )) 3.800 1.800 1.800 peak 425 spectrum 1 weight 0.10000E+01 volume 0.13183E-02 ppm1 9.017 ppm2 2.245 CV 1 OR { 425} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HG1 )) ASSI { 426} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB2 )) 2.600 0.900 0.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.15157E-02 ppm1 9.017 ppm2 2.018 CV 1 ASSI { 427} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB1 )) 2.500 0.800 0.800 peak 427 spectrum 1 weight 0.10000E+01 volume 0.26046E-02 ppm1 9.017 ppm2 1.863 CV 1 ASSI { 428} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HG1 )) 3.200 1.300 1.300 peak 428 spectrum 1 weight 0.10000E+01 volume 0.32901E-02 ppm1 9.017 ppm2 1.618 CV 1 OR { 428} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) ASSI { 429} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HG2 )) 2.400 0.700 0.700 peak 429 spectrum 1 weight 0.10000E+01 volume 0.17891E-02 ppm1 9.017 ppm2 1.538 CV 1 ASSI { 431} (( segid " " and resid 72 and name HN )) ( segid " " and resid 31 and name HD2%) 4.600 2.700 1.400 peak 431 spectrum 1 weight 0.10000E+01 volume 0.49240E-03 ppm1 9.015 ppm2 0.786 CV 1 ASSI { 433} (( segid " " and resid 72 and name HN )) ( segid " " and resid 31 and name HD1%) 3.100 1.200 1.200 peak 433 spectrum 1 weight 0.10000E+01 volume 0.11999E-02 ppm1 9.017 ppm2 0.446 CV 1 ASSI { 434} (( segid " " and resid 75 and name HN )) ( segid " " and resid 10 and name HD2%) 3.700 1.700 1.700 peak 434 spectrum 1 weight 0.10000E+01 volume 0.20643E-02 ppm1 8.742 ppm2 1.117 CV 1 ASSI { 435} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HD2%) 2.900 1.100 1.100 peak 435 spectrum 1 weight 0.10000E+01 volume 0.13593E-02 ppm1 8.743 ppm2 0.852 CV 1 ASSI { 436} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HD1%) 4.100 2.100 1.900 peak 436 spectrum 1 weight 0.10000E+01 volume 0.12485E-02 ppm1 8.742 ppm2 0.809 CV 1 ASSI { 439} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB2 )) 2.200 0.600 0.600 peak 439 spectrum 1 weight 0.10000E+01 volume 0.42569E-02 ppm1 8.742 ppm2 1.544 CV 1 ASSI { 440} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB1 )) 3.300 1.400 1.400 peak 440 spectrum 1 weight 0.10000E+01 volume 0.40263E-02 ppm1 8.743 ppm2 2.197 CV 1 ASSI { 442} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB1 )) 2.400 0.700 0.700 peak 442 spectrum 1 weight 0.10000E+01 volume 0.25546E-02 ppm1 8.742 ppm2 2.432 CV 1 ASSI { 443} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HB1 )) 4.800 2.900 1.200 peak 443 spectrum 1 weight 0.10000E+01 volume 0.40730E-03 ppm1 8.744 ppm2 2.766 CV 1 ASSI { 444} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 2.600 0.900 0.900 peak 444 spectrum 1 weight 0.10000E+01 volume 0.23714E-02 ppm1 8.742 ppm2 3.891 CV 1 ASSI { 446} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HA )) 3.300 1.300 1.300 peak 446 spectrum 1 weight 0.10000E+01 volume 0.97884E-03 ppm1 8.742 ppm2 3.607 CV 1 ASSI { 447} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 3.300 1.300 1.300 peak 447 spectrum 1 weight 0.10000E+01 volume 0.12242E-02 ppm1 8.743 ppm2 4.286 CV 1 ASSI { 448} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HN )) 2.500 0.800 0.800 peak 448 spectrum 1 weight 0.10000E+01 volume 0.30096E-02 ppm1 8.742 ppm2 7.705 CV 1 ASSI { 452} (( segid " " and resid 15 and name HN )) ( segid " " and resid 15 and name HG1%) 3.100 1.200 1.200 peak 452 spectrum 1 weight 0.10000E+01 volume 0.56516E-02 ppm1 8.510 ppm2 1.045 CV 1 ASSI { 464} (( segid " " and resid 15 and name HN )) (( segid " " and resid 11 and name HA )) 4.000 2.000 2.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.31198E-03 ppm1 8.510 ppm2 3.509 CV 1 ASSI { 473} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HD2%) 4.400 2.400 1.600 peak 473 spectrum 1 weight 0.10000E+01 volume 0.73451E-03 ppm1 8.437 ppm2 0.365 CV 1 ASSI { 475} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HD1%) 4.600 2.600 1.400 peak 475 spectrum 1 weight 0.10000E+01 volume 0.86390E-03 ppm1 8.437 ppm2 0.200 CV 1 ASSI { 477} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HG )) 4.000 2.000 2.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.23548E-02 ppm1 8.436 ppm2 1.366 CV 1 ASSI { 478} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB1 )) 2.800 1.000 1.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.42733E-02 ppm1 8.436 ppm2 1.608 CV 1 ASSI { 479} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HB2 )) 5.000 3.100 1.000 peak 479 spectrum 1 weight 0.10000E+01 volume 0.23992E-03 ppm1 8.439 ppm2 1.854 CV 1 ASSI { 481} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA )) 2.700 0.900 0.900 peak 481 spectrum 1 weight 0.10000E+01 volume 0.24743E-02 ppm1 8.437 ppm2 3.903 CV 1 ASSI { 486} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG2 )) 4.300 2.300 1.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.10549E-02 ppm1 8.100 ppm2 0.982 CV 1 ASSI { 487} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG1 )) 4.100 2.100 1.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.11441E-02 ppm1 8.100 ppm2 1.355 CV 1 ASSI { 488} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB1 )) 2.400 0.700 0.700 peak 488 spectrum 1 weight 0.10000E+01 volume 0.41689E-02 ppm1 8.099 ppm2 1.892 CV 1 ASSI { 493} (( segid " " and resid 10 and name HN )) ( segid " " and resid 5 and name HD2%) 3.600 1.600 1.600 peak 493 spectrum 1 weight 0.10000E+01 volume 0.89726E-03 ppm1 8.084 ppm2 0.649 CV 1 OR { 493} (( segid " " and resid 10 and name HN )) ( segid " " and resid 5 and name HD1%) ASSI { 496} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB1 )) 2.500 0.800 0.800 peak 496 spectrum 1 weight 0.10000E+01 volume 0.41963E-02 ppm1 8.085 ppm2 2.346 CV 1 ASSI { 497} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB2 )) 2.800 1.000 1.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.20047E-02 ppm1 8.084 ppm2 2.705 CV 1 ASSI { 500} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.700 0.900 0.900 peak 500 spectrum 1 weight 0.10000E+01 volume 0.21101E-02 ppm1 8.060 ppm2 2.784 CV 1 ASSI { 504} (( segid " " and resid 83 and name HN )) (( segid " " and resid 81 and name HA )) 4.000 2.000 2.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.48513E-03 ppm1 7.974 ppm2 4.437 CV 1 ASSI { 506} (( segid " " and resid 83 and name HN )) (( segid " " and resid 80 and name HA2 )) 3.300 1.400 1.400 peak 506 spectrum 1 weight 0.10000E+01 volume 0.67677E-03 ppm1 7.973 ppm2 4.027 CV 1 OR { 506} (( segid " " and resid 83 and name HN )) (( segid " " and resid 80 and name HA1 )) ASSI { 507} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB1 )) 2.700 0.900 0.900 peak 507 spectrum 1 weight 0.10000E+01 volume 0.17599E-02 ppm1 7.973 ppm2 2.014 CV 1 ASSI { 509} (( segid " " and resid 83 and name HN )) ( segid " " and resid 83 and name HB% ) 2.200 0.600 0.600 peak 509 spectrum 1 weight 0.10000E+01 volume 0.10641E-01 ppm1 7.973 ppm2 1.608 CV 1 ASSI { 510} (( segid " " and resid 83 and name HN )) ( segid " " and resid 82 and name HD2%) 3.900 1.900 1.900 peak 510 spectrum 1 weight 0.10000E+01 volume 0.11370E-02 ppm1 7.973 ppm2 0.981 CV 1 OR { 510} (( segid " " and resid 83 and name HN )) ( segid " " and resid 82 and name HD1%) ASSI { 512} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB1 )) 3.300 1.400 1.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.30684E-02 ppm1 7.915 ppm2 3.039 CV 1 ASSI { 516} (( segid " " and resid 9 and name HN )) ( segid " " and resid 5 and name HD2%) 4.700 2.800 1.300 peak 516 spectrum 1 weight 0.10000E+01 volume 0.41218E-03 ppm1 7.916 ppm2 0.653 CV 1 OR { 516} (( segid " " and resid 9 and name HN )) ( segid " " and resid 5 and name HD1%) ASSI { 517} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HB1 )) 5.100 3.200 0.900 peak 517 spectrum 1 weight 0.10000E+01 volume 0.28753E-03 ppm1 7.915 ppm2 2.339 CV 1 ASSI { 519} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HA )) 4.300 2.300 1.700 peak 519 spectrum 1 weight 0.10000E+01 volume 0.29611E-03 ppm1 7.914 ppm2 3.871 CV 1 ASSI { 520} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA )) 3.000 1.100 1.100 peak 520 spectrum 1 weight 0.10000E+01 volume 0.20709E-02 ppm1 7.915 ppm2 4.557 CV 1 ASSI { 521} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 3.200 1.300 1.300 peak 521 spectrum 1 weight 0.10000E+01 volume 0.14572E-02 ppm1 7.915 ppm2 4.628 CV 1 ASSI { 524} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 3.300 1.400 1.400 peak 524 spectrum 1 weight 0.10000E+01 volume 0.12546E-02 ppm1 7.812 ppm2 4.575 CV 1 ASSI { 525} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 2.600 0.900 0.900 peak 525 spectrum 1 weight 0.10000E+01 volume 0.43834E-02 ppm1 7.812 ppm2 4.347 CV 1 ASSI { 526} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB1 )) 3.400 1.500 1.500 peak 526 spectrum 1 weight 0.10000E+01 volume 0.15721E-02 ppm1 7.811 ppm2 4.152 CV 1 ASSI { 528} (( segid " " and resid 18 and name HN )) (( segid " " and resid 15 and name HA )) 3.400 1.400 1.400 peak 528 spectrum 1 weight 0.10000E+01 volume 0.86080E-03 ppm1 7.811 ppm2 3.912 CV 1 ASSI { 531} (( segid " " and resid 18 and name HN )) ( segid " " and resid 18 and name HB% ) 2.300 0.600 0.600 peak 531 spectrum 1 weight 0.10000E+01 volume 0.93024E-02 ppm1 7.812 ppm2 1.538 CV 1 ASSI { 534} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HD2%) 3.700 1.700 1.700 peak 534 spectrum 1 weight 0.10000E+01 volume 0.18787E-02 ppm1 8.010 ppm2 0.963 CV 1 OR { 534} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 537} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB1 )) 3.100 1.200 1.200 peak 537 spectrum 1 weight 0.10000E+01 volume 0.50614E-02 ppm1 8.010 ppm2 2.038 CV 1 ASSI { 539} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HG )) 2.600 0.800 0.800 peak 539 spectrum 1 weight 0.10000E+01 volume 0.22453E-02 ppm1 8.010 ppm2 1.833 CV 1 ASSI { 540} (( segid " " and resid 77 and name HN )) (( segid " " and resid 75 and name HB1 )) 4.300 2.300 1.700 peak 540 spectrum 1 weight 0.10000E+01 volume 0.40969E-03 ppm1 8.010 ppm2 2.176 CV 1 ASSI { 541} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB1 )) 2.500 0.800 0.800 peak 541 spectrum 1 weight 0.10000E+01 volume 0.34243E-02 ppm1 8.006 ppm2 2.769 CV 1 ASSI { 543} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HA )) 3.600 1.600 1.600 peak 543 spectrum 1 weight 0.10000E+01 volume 0.78846E-03 ppm1 8.010 ppm2 4.483 CV 1 ASSI { 545} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HN )) 2.300 0.700 0.700 peak 545 spectrum 1 weight 0.10000E+01 volume 0.47518E-02 ppm1 8.074 ppm2 7.531 CV 1 ASSI { 547} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) 2.500 0.800 0.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.39613E-02 ppm1 8.074 ppm2 4.848 CV 1 ASSI { 548} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 2.800 1.000 1.000 peak 548 spectrum 1 weight 0.10000E+01 volume 0.21621E-02 ppm1 8.077 ppm2 4.760 CV 1 ASSI { 550} (( segid " " and resid 65 and name HN )) ( segid " " and resid 64 and name HG1%) 3.100 1.200 1.200 peak 550 spectrum 1 weight 0.10000E+01 volume 0.39944E-02 ppm1 8.248 ppm2 0.998 CV 1 OR { 550} (( segid " " and resid 65 and name HN )) ( segid " " and resid 64 and name HG2%) ASSI { 551} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB% )) 2.800 0.800 0.800 peak 551 spectrum 1 weight 0.10000E+01 volume 0.28706E-02 ppm1 8.248 ppm2 2.213 CV 1 ASSI { 552} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB )) 2.600 0.800 0.800 peak 552 spectrum 1 weight 0.10000E+01 volume 0.28706E-02 ppm1 8.248 ppm2 2.213 CV 1 ASSI { 553} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HA )) 2.600 0.800 0.800 peak 553 spectrum 1 weight 0.10000E+01 volume 0.28706E-02 ppm1 8.248 ppm2 2.213 CV 1 ASSI { 554} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) 3.400 1.500 1.500 peak 554 spectrum 1 weight 0.10000E+01 volume 0.10263E-02 ppm1 8.249 ppm2 3.818 CV 1 ASSI { 555} (( segid " " and resid 65 and name HN )) (( segid " " and resid 62 and name HA )) 3.600 1.600 1.600 peak 555 spectrum 1 weight 0.10000E+01 volume 0.58533E-03 ppm1 8.248 ppm2 4.466 CV 1 ASSI { 557} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HN )) 2.600 1.600 1.600 peak 557 spectrum 1 weight 0.10000E+01 volume 0.58533E-03 ppm1 8.248 ppm2 4.466 CV 1 ASSI { 558} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) 2.700 0.900 0.900 peak 558 spectrum 1 weight 0.10000E+01 volume 0.46365E-02 ppm1 8.506 ppm2 2.830 CV 1 OR { 558} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB1 )) ASSI { 559} (( segid " " and resid 22 and name HN )) ( segid " " and resid 21 and name HG2%) 3.600 1.600 1.600 peak 559 spectrum 1 weight 0.10000E+01 volume 0.87591E-03 ppm1 8.507 ppm2 1.239 CV 1 ASSI { 560} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 3.200 1.300 1.300 peak 560 spectrum 1 weight 0.10000E+01 volume 0.14682E-02 ppm1 8.506 ppm2 4.731 CV 1 ASSI { 562} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB )) 3.400 1.400 1.400 peak 562 spectrum 1 weight 0.10000E+01 volume 0.15533E-02 ppm1 8.507 ppm2 4.376 CV 1 ASSI { 565} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB2 )) 3.700 1.800 1.800 peak 565 spectrum 1 weight 0.10000E+01 volume 0.11167E-02 ppm1 8.824 ppm2 2.078 CV 1 ASSI { 566} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB1 )) 3.600 1.600 1.600 peak 566 spectrum 1 weight 0.10000E+01 volume 0.14111E-02 ppm1 8.825 ppm2 2.544 CV 1 ASSI { 568} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB1 )) 2.700 0.900 0.900 peak 568 spectrum 1 weight 0.10000E+01 volume 0.31571E-02 ppm1 8.826 ppm2 2.823 CV 1 ASSI { 573} (( segid " " and resid 49 and name HN )) ( segid " " and resid 50 and name HB% ) 4.600 2.700 1.400 peak 573 spectrum 1 weight 0.10000E+01 volume 0.58711E-03 ppm1 8.745 ppm2 1.654 CV 1 ASSI { 578} (( segid " " and resid 49 and name HN )) ( segid " " and resid 52 and name HD1%) 4.800 2.900 1.200 peak 578 spectrum 1 weight 0.10000E+01 volume 0.36562E-03 ppm1 8.745 ppm2 0.854 CV 1 ASSI { 581} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB )) 2.700 0.900 0.900 peak 581 spectrum 1 weight 0.10000E+01 volume 0.22254E-02 ppm1 8.744 ppm2 4.422 CV 1 ASSI { 584} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB1 )) 3.000 1.100 1.100 peak 584 spectrum 1 weight 0.10000E+01 volume 0.34076E-02 ppm1 8.690 ppm2 2.898 CV 1 ASSI { 585} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB2 )) 2.800 1.000 1.000 peak 585 spectrum 1 weight 0.10000E+01 volume 0.39548E-02 ppm1 8.690 ppm2 2.672 CV 1 ASSI { 586} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA1 )) 2.900 1.000 1.000 peak 586 spectrum 1 weight 0.10000E+01 volume 0.37234E-02 ppm1 8.690 ppm2 4.238 CV 1 ASSI { 587} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA2 )) 2.500 0.800 0.800 peak 587 spectrum 1 weight 0.10000E+01 volume 0.59959E-02 ppm1 8.690 ppm2 3.880 CV 1 ASSI { 588} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA )) 3.200 1.300 1.300 peak 588 spectrum 1 weight 0.10000E+01 volume 0.12425E-02 ppm1 8.688 ppm2 4.849 CV 1 ASSI { 591} (( segid " " and resid 25 and name HN )) ( segid " " and resid 38 and name HG2%) 4.200 2.200 1.800 peak 591 spectrum 1 weight 0.10000E+01 volume 0.30845E-03 ppm1 8.619 ppm2 1.067 CV 1 ASSI { 592} (( segid " " and resid 25 and name HN )) ( segid " " and resid 26 and name HD1%) 4.300 2.300 1.700 peak 592 spectrum 1 weight 0.10000E+01 volume 0.24713E-03 ppm1 8.620 ppm2 0.705 CV 1 ASSI { 593} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB1 )) 2.900 1.100 1.100 peak 593 spectrum 1 weight 0.10000E+01 volume 0.33940E-02 ppm1 8.619 ppm2 2.888 CV 1 ASSI { 594} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB2 )) 2.800 1.000 1.000 peak 594 spectrum 1 weight 0.10000E+01 volume 0.32016E-02 ppm1 8.619 ppm2 2.754 CV 1 ASSI { 597} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) 2.300 0.700 0.700 peak 597 spectrum 1 weight 0.10000E+01 volume 0.76646E-02 ppm1 8.619 ppm2 4.336 CV 1 ASSI { 602} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HN )) 3.600 1.600 1.600 peak 602 spectrum 1 weight 0.10000E+01 volume 0.12442E-02 ppm1 8.619 ppm2 8.147 CV 1 ASSI { 604} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB1 )) 3.200 1.300 1.300 peak 604 spectrum 1 weight 0.10000E+01 volume 0.30073E-02 ppm1 8.481 ppm2 1.444 CV 1 ASSI { 605} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB2 )) 2.800 1.000 1.000 peak 605 spectrum 1 weight 0.10000E+01 volume 0.18341E-02 ppm1 8.479 ppm2 1.223 CV 1 ASSI { 607} (( segid " " and resid 26 and name HN )) ( segid " " and resid 26 and name HD2%) 4.500 2.500 1.500 peak 607 spectrum 1 weight 0.10000E+01 volume 0.85316E-03 ppm1 8.482 ppm2 0.799 CV 1 ASSI { 609} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB1 )) 3.800 1.800 1.800 peak 609 spectrum 1 weight 0.10000E+01 volume 0.76041E-03 ppm1 8.480 ppm2 2.891 CV 1 ASSI { 615} (( segid " " and resid 35 and name HN )) (( segid " " and resid 70 and name HA )) 3.500 1.600 1.600 peak 615 spectrum 1 weight 0.10000E+01 volume 0.64979E-03 ppm1 8.453 ppm2 4.943 CV 1 ASSI { 618} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.800 1.800 1.800 peak 618 spectrum 1 weight 0.10000E+01 volume 0.14869E-02 ppm1 8.452 ppm2 3.608 CV 1 ASSI { 621} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB2 )) 2.500 0.800 0.800 peak 621 spectrum 1 weight 0.10000E+01 volume 0.25719E-02 ppm1 8.452 ppm2 3.097 CV 1 ASSI { 623} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB1 )) 3.000 1.100 1.100 peak 623 spectrum 1 weight 0.10000E+01 volume 0.10793E-02 ppm1 8.453 ppm2 2.167 CV 1 ASSI { 625} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HG1 )) 4.700 2.800 1.300 peak 625 spectrum 1 weight 0.10000E+01 volume 0.68465E-03 ppm1 8.454 ppm2 1.926 CV 1 ASSI { 626} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HG2 )) 3.800 1.800 1.800 peak 626 spectrum 1 weight 0.10000E+01 volume 0.14562E-02 ppm1 8.454 ppm2 1.622 CV 1 ASSI { 628} (( segid " " and resid 44 and name HN )) ( segid " " and resid 43 and name HD2%) 4.900 3.000 1.100 peak 628 spectrum 1 weight 0.10000E+01 volume 0.63769E-03 ppm1 8.139 ppm2 1.038 CV 1 ASSI { 629} (( segid " " and resid 44 and name HN )) ( segid " " and resid 44 and name HB% ) 2.200 0.600 0.600 peak 629 spectrum 1 weight 0.10000E+01 volume 0.84509E-02 ppm1 8.139 ppm2 1.519 CV 1 ASSI { 630} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB2 )) 2.300 0.700 0.700 peak 630 spectrum 1 weight 0.10000E+01 volume 0.39542E-02 ppm1 8.139 ppm2 1.857 CV 1 ASSI { 631} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HG )) 3.700 1.700 1.700 peak 631 spectrum 1 weight 0.10000E+01 volume 0.19111E-02 ppm1 8.137 ppm2 1.767 CV 1 ASSI { 633} (( segid " " and resid 44 and name HN )) (( segid " " and resid 41 and name HB2 )) 3.400 1.500 1.500 peak 633 spectrum 1 weight 0.10000E+01 volume 0.44699E-03 ppm1 8.140 ppm2 2.836 CV 1 ASSI { 634} (( segid " " and resid 44 and name HN )) (( segid " " and resid 41 and name HB1 )) 5.200 3.400 0.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.25773E-03 ppm1 8.140 ppm2 3.285 CV 1 ASSI { 637} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA )) 3.100 1.200 1.200 peak 637 spectrum 1 weight 0.10000E+01 volume 0.13591E-02 ppm1 7.994 ppm2 4.735 CV 1 ASSI { 638} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HA )) 2.200 0.600 0.600 peak 638 spectrum 1 weight 0.10000E+01 volume 0.68709E-02 ppm1 7.994 ppm2 4.579 CV 1 ASSI { 639} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB1 )) 3.800 1.800 1.800 peak 639 spectrum 1 weight 0.10000E+01 volume 0.14070E-02 ppm1 7.993 ppm2 3.282 CV 1 ASSI { 640} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB1 )) 3.800 1.800 1.800 peak 640 spectrum 1 weight 0.10000E+01 volume 0.64280E-03 ppm1 7.993 ppm2 3.004 CV 1 ASSI { 641} (( segid " " and resid 41 and name HN )) ( segid " " and resid 44 and name HB% ) 2.600 0.900 0.900 peak 641 spectrum 1 weight 0.10000E+01 volume 0.35691E-02 ppm1 7.994 ppm2 1.516 CV 1 ASSI { 643} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB1 )) 3.700 1.800 1.800 peak 643 spectrum 1 weight 0.10000E+01 volume 0.81061E-03 ppm1 7.831 ppm2 2.273 CV 1 ASSI { 644} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB2 )) 4.100 2.100 1.900 peak 644 spectrum 1 weight 0.10000E+01 volume 0.87244E-03 ppm1 7.832 ppm2 2.128 CV 1 ASSI { 645} (( segid " " and resid 85 and name HN )) ( segid " " and resid 85 and name HB% ) 2.600 0.800 0.800 peak 645 spectrum 1 weight 0.10000E+01 volume 0.59659E-02 ppm1 7.829 ppm2 1.573 CV 1 ASSI { 646} (( segid " " and resid 85 and name HN )) ( segid " " and resid 82 and name HD2% ) 5.200 0.800 2.800 peak 646 spectrum 1 weight 0.10000E+01 volume 0.59659E-02 ppm1 7.829 ppm2 1.573 CV 1 ASSI { 649} (( segid " " and resid 43 and name HN )) ( segid " " and resid 43 and name HD2%) 4.000 2.000 2.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.12314E-02 ppm1 7.793 ppm2 1.043 CV 1 ASSI { 651} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB2 )) 2.200 0.600 0.600 peak 651 spectrum 1 weight 0.10000E+01 volume 0.64416E-02 ppm1 7.793 ppm2 1.866 CV 1 ASSI { 652} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HG )) 2.500 0.800 0.800 peak 652 spectrum 1 weight 0.10000E+01 volume 0.30293E-02 ppm1 7.791 ppm2 1.763 CV 1 ASSI { 653} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HB2 )) 3.700 1.700 1.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.50394E-03 ppm1 7.793 ppm2 2.839 CV 1 ASSI { 654} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HB1 )) 3.500 1.600 1.600 peak 654 spectrum 1 weight 0.10000E+01 volume 0.57445E-03 ppm1 7.792 ppm2 3.284 CV 1 ASSI { 660} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HN )) 2.400 0.700 0.700 peak 660 spectrum 1 weight 0.10000E+01 volume 0.42363E-02 ppm1 7.607 ppm2 8.295 CV 1 ASSI { 661} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HA )) 4.900 3.000 1.100 peak 661 spectrum 1 weight 0.10000E+01 volume 0.48442E-03 ppm1 7.608 ppm2 4.247 CV 1 ASSI { 662} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA1 )) 2.800 1.000 1.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.29912E-02 ppm1 7.607 ppm2 4.030 CV 1 OR { 662} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA2 )) ASSI { 663} (( segid " " and resid 81 and name HN )) (( segid " " and resid 78 and name HA )) 3.200 1.300 1.300 peak 663 spectrum 1 weight 0.10000E+01 volume 0.99713E-03 ppm1 7.608 ppm2 3.747 CV 1 ASSI { 664} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HB1 )) 4.300 2.300 1.700 peak 664 spectrum 1 weight 0.10000E+01 volume 0.54639E-03 ppm1 7.607 ppm2 2.011 CV 1 ASSI { 666} (( segid " " and resid 81 and name HN )) ( segid " " and resid 81 and name HB% ) 2.200 0.600 0.600 peak 666 spectrum 1 weight 0.10000E+01 volume 0.81061E-02 ppm1 7.607 ppm2 1.625 CV 1 ASSI { 669} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HG1 )) 2.600 0.800 0.800 peak 669 spectrum 1 weight 0.10000E+01 volume 0.24574E-02 ppm1 8.245 ppm2 2.809 CV 1 ASSI { 670} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HG1 )) 3.400 1.400 1.400 peak 670 spectrum 1 weight 0.10000E+01 volume 0.29785E-02 ppm1 8.233 ppm2 2.626 CV 1 ASSI { 675} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB2 )) 2.600 0.800 0.800 peak 675 spectrum 1 weight 0.10000E+01 volume 0.32087E-02 ppm1 8.234 ppm2 2.153 CV 1 ASSI { 677} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HG11)) 3.400 1.500 1.500 peak 677 spectrum 1 weight 0.10000E+01 volume 0.35065E-02 ppm1 8.282 ppm2 1.724 CV 1 ASSI { 680} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HG12)) 2.400 0.700 0.700 peak 680 spectrum 1 weight 0.10000E+01 volume 0.20332E-02 ppm1 8.281 ppm2 1.295 CV 1 ASSI { 682} (( segid " " and resid 82 and name HN )) ( segid " " and resid 82 and name HD2%) 3.200 1.200 1.200 peak 682 spectrum 1 weight 0.10000E+01 volume 0.42099E-02 ppm1 8.292 ppm2 0.982 CV 1 ASSI { 685} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HG2 )) 2.400 0.700 0.700 peak 685 spectrum 1 weight 0.10000E+01 volume 0.43277E-02 ppm1 8.235 ppm2 2.384 CV 1 ASSI { 688} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 77 and name HN )) 3.900 1.900 1.900 peak 688 spectrum 1 weight 0.10000E+01 volume 0.26890E-03 ppm1 1.128 ppm2 8.008 CV 1 ASSI { 691} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB2 )) 2.400 0.700 0.700 peak 691 spectrum 1 weight 0.10000E+01 volume 0.64285E-02 ppm1 8.288 ppm2 2.718 CV 1 OR { 691} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB1 )) ASSI { 696} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HA )) 2.600 0.800 0.800 peak 696 spectrum 1 weight 0.10000E+01 volume 0.34718E-02 ppm1 8.293 ppm2 4.229 CV 1 ASSI { 700} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA )) 2.800 0.800 0.800 peak 700 spectrum 1 weight 0.10000E+01 volume 0.12991E-02 ppm1 8.289 ppm2 4.871 CV 1 ASSI { 701} (( segid " " and resid 8 and name HN )) (( segid " " and resid 6 and name HB )) 3.200 1.300 1.300 peak 701 spectrum 1 weight 0.10000E+01 volume 0.12991E-02 ppm1 8.289 ppm2 4.871 CV 1 ASSI { 705} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB1 )) 3.300 1.400 1.400 peak 705 spectrum 1 weight 0.10000E+01 volume 0.13200E-02 ppm1 8.503 ppm2 2.830 CV 1 OR { 705} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB2 )) ASSI { 706} (( segid " " and resid 23 and name HN )) ( segid " " and resid 21 and name HG2%) 4.000 2.000 2.000 peak 706 spectrum 1 weight 0.10000E+01 volume 0.44942E-03 ppm1 8.502 ppm2 1.256 CV 1 ASSI { 707} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA2 )) 2.400 0.700 0.700 peak 707 spectrum 1 weight 0.10000E+01 volume 0.74878E-02 ppm1 8.504 ppm2 4.075 CV 1 OR { 707} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA1 )) ASSI { 709} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) 3.000 1.100 1.100 peak 709 spectrum 1 weight 0.10000E+01 volume 0.22030E-02 ppm1 8.503 ppm2 4.730 CV 1 ASSI { 710} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HA )) 4.400 2.400 1.600 peak 710 spectrum 1 weight 0.10000E+01 volume 0.47119E-03 ppm1 8.504 ppm2 4.367 CV 1 ASSI { 712} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) 2.700 0.900 0.900 peak 712 spectrum 1 weight 0.10000E+01 volume 0.28142E-02 ppm1 8.082 ppm2 4.219 CV 1 ASSI { 714} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB2 )) 2.400 0.700 0.700 peak 714 spectrum 1 weight 0.10000E+01 volume 0.31995E-02 ppm1 9.420 ppm2 1.339 CV 1 ASSI { 716} (( segid " " and resid 5 and name HN )) ( segid " " and resid 4 and name HD1%) 2.900 1.100 1.100 peak 716 spectrum 1 weight 0.10000E+01 volume 0.16290E-02 ppm1 9.420 ppm2 0.882 CV 1 ASSI { 717} (( segid " " and resid 5 and name HN )) ( segid " " and resid 5 and name HD1%) 3.800 1.800 1.800 peak 717 spectrum 1 weight 0.10000E+01 volume 0.12028E-02 ppm1 9.420 ppm2 0.647 CV 1 OR { 717} (( segid " " and resid 5 and name HN )) ( segid " " and resid 5 and name HD2%) ASSI { 719} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HG )) 2.900 1.100 1.100 peak 719 spectrum 1 weight 0.10000E+01 volume 0.12876E-02 ppm1 9.419 ppm2 1.712 CV 1 ASSI { 724} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HG2 )) 3.900 1.900 1.900 peak 724 spectrum 1 weight 0.10000E+01 volume 0.72865E-03 ppm1 8.254 ppm2 2.399 CV 1 ASSI { 725} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB1 )) 3.500 1.500 1.500 peak 725 spectrum 1 weight 0.10000E+01 volume 0.12707E-02 ppm1 8.254 ppm2 2.235 CV 1 ASSI { 729} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 2.400 0.700 0.700 peak 729 spectrum 1 weight 0.10000E+01 volume 0.63318E-02 ppm1 8.254 ppm2 4.483 CV 1 ASSI { 732} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB2 )) 2.500 0.800 0.800 peak 732 spectrum 1 weight 0.10000E+01 volume 0.28300E-02 ppm1 8.156 ppm2 2.794 CV 1 ASSI { 733} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB1 )) 2.800 1.000 1.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.13097E-02 ppm1 8.156 ppm2 1.891 CV 1 ASSI { 734} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB2 )) 3.700 1.700 1.700 peak 734 spectrum 1 weight 0.10000E+01 volume 0.19353E-02 ppm1 8.156 ppm2 1.608 CV 1 ASSI { 735} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HG1 )) 4.100 2.100 1.900 peak 735 spectrum 1 weight 0.10000E+01 volume 0.55629E-03 ppm1 8.157 ppm2 1.357 CV 1 ASSI { 737} (( segid " " and resid 56 and name HN )) (( segid " " and resid 52 and name HA )) 3.500 1.500 1.500 peak 737 spectrum 1 weight 0.10000E+01 volume 0.81943E-03 ppm1 8.155 ppm2 4.334 CV 1 ASSI { 757} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HD1 )) 3.400 1.400 1.400 peak 757 spectrum 1 weight 0.10000E+01 volume 0.73724E-03 ppm1 9.002 ppm2 3.498 CV 1 ASSI { 758} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HD2 )) 3.100 1.200 1.200 peak 758 spectrum 1 weight 0.10000E+01 volume 0.13244E-02 ppm1 9.002 ppm2 3.022 CV 1 ASSI { 759} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HB1 )) 5.100 3.300 0.900 peak 759 spectrum 1 weight 0.10000E+01 volume 0.96120E-04 ppm1 9.010 ppm2 1.857 CV 1 ASSI { 760} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HB2 )) 3.300 1.300 1.300 peak 760 spectrum 1 weight 0.10000E+01 volume 0.78373E-03 ppm1 9.003 ppm2 1.608 CV 1 ASSI { 762} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HD2 )) 3.000 1.100 1.100 peak 762 spectrum 1 weight 0.10000E+01 volume 0.13474E-02 ppm1 7.246 ppm2 3.197 CV 1 OR { 762} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HD1 )) ASSI { 763} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HB1 )) 3.700 1.700 1.700 peak 763 spectrum 1 weight 0.10000E+01 volume 0.49404E-03 ppm1 7.248 ppm2 2.046 CV 1 OR { 763} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HB2 )) ASSI { 764} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HG1 )) 4.200 2.200 1.800 peak 764 spectrum 1 weight 0.10000E+01 volume 0.47856E-03 ppm1 7.251 ppm2 1.407 CV 1 ASSI { 765} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HG2 )) 3.300 1.400 1.400 peak 765 spectrum 1 weight 0.10000E+01 volume 0.60058E-03 ppm1 7.251 ppm2 1.136 CV 1 ASSI { 767} (( segid " " and resid 11 and name HE )) (( segid " " and resid 27 and name HA )) 4.600 2.600 1.400 peak 767 spectrum 1 weight 0.10000E+01 volume 0.34347E-03 ppm1 7.246 ppm2 4.297 CV 1 ASSI { 768} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HB2 )) 4.400 2.400 1.600 peak 768 spectrum 1 weight 0.10000E+01 volume 0.20456E-03 ppm1 7.518 ppm2 2.042 CV 1 OR { 768} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HB1 )) ASSI { 775} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB2 )) 2.900 1.100 1.100 peak 775 spectrum 1 weight 0.10000E+01 volume 0.20470E-02 ppm1 8.712 ppm2 1.543 CV 1 ASSI { 777} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HB1 )) 5.500 3.700 0.500 peak 777 spectrum 1 weight 0.10000E+01 volume 0.33090E-03 ppm1 8.711 ppm2 2.036 CV 1 ASSI { 779} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB1 )) 2.400 0.700 0.700 peak 779 spectrum 1 weight 0.10000E+01 volume 0.56638E-02 ppm1 8.711 ppm2 2.757 CV 1 OR { 779} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB2 )) ASSI { 780} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 3.200 1.300 1.300 peak 780 spectrum 1 weight 0.10000E+01 volume 0.93375E-03 ppm1 8.711 ppm2 3.889 CV 1 ASSI { 781} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HA )) 3.700 1.700 1.700 peak 781 spectrum 1 weight 0.10000E+01 volume 0.58547E-03 ppm1 8.712 ppm2 3.606 CV 1 ASSI { 782} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 2.900 1.100 1.100 peak 782 spectrum 1 weight 0.10000E+01 volume 0.23238E-02 ppm1 8.711 ppm2 4.486 CV 1 ASSI { 786} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB )) 2.300 0.700 0.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.31950E-02 ppm1 8.886 ppm2 1.944 CV 1 ASSI { 789} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HG12)) 4.600 2.700 1.400 peak 789 spectrum 1 weight 0.10000E+01 volume 0.47973E-03 ppm1 8.885 ppm2 1.300 CV 1 ASSI { 792} (( segid " " and resid 79 and name HN )) ( segid " " and resid 5 and name HD1%) 4.800 2.900 1.200 peak 792 spectrum 1 weight 0.10000E+01 volume 0.26652E-03 ppm1 8.884 ppm2 0.636 CV 1 OR { 792} (( segid " " and resid 79 and name HN )) ( segid " " and resid 5 and name HD2%) ASSI { 794} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 2.600 0.900 0.900 peak 794 spectrum 1 weight 0.10000E+01 volume 0.22461E-02 ppm1 8.886 ppm2 2.773 CV 1 ASSI { 795} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB1 )) 3.300 1.300 1.300 peak 795 spectrum 1 weight 0.10000E+01 volume 0.33456E-02 ppm1 8.886 ppm2 3.089 CV 1 ASSI { 796} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HA1 )) 4.800 2.800 1.200 peak 796 spectrum 1 weight 0.10000E+01 volume 0.57337E-03 ppm1 8.885 ppm2 4.029 CV 1 OR { 796} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HA2 )) ASSI { 797} (( segid " " and resid 79 and name HN )) (( segid " " and resid 75 and name HA )) 3.900 1.900 1.900 peak 797 spectrum 1 weight 0.10000E+01 volume 0.46922E-03 ppm1 8.888 ppm2 3.887 CV 1 ASSI { 798} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA )) 3.500 1.500 1.500 peak 798 spectrum 1 weight 0.10000E+01 volume 0.76764E-03 ppm1 8.887 ppm2 3.748 CV 1 ASSI { 799} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 3.000 1.100 1.100 peak 799 spectrum 1 weight 0.10000E+01 volume 0.97260E-03 ppm1 8.887 ppm2 4.912 CV 1 ASSI { 802} (( segid " " and resid 4 and name HN )) ( segid " " and resid 4 and name HD2%) 4.100 2.100 1.900 peak 802 spectrum 1 weight 0.10000E+01 volume 0.16838E-02 ppm1 8.156 ppm2 0.956 CV 1 ASSI { 803} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HG )) 3.200 1.300 1.300 peak 803 spectrum 1 weight 0.10000E+01 volume 0.47856E-02 ppm1 8.155 ppm2 1.694 CV 1 ASSI { 804} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB1 )) 2.400 0.700 0.700 peak 804 spectrum 1 weight 0.10000E+01 volume 0.47251E-02 ppm1 8.155 ppm2 1.614 CV 1 ASSI { 805} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB2 )) 2.900 1.100 1.100 peak 805 spectrum 1 weight 0.10000E+01 volume 0.23910E-02 ppm1 8.160 ppm2 1.480 CV 1 ASSI { 807} (( segid " " and resid 4 and name HN )) ( segid " " and resid 4 and name HD1%) 4.400 2.400 1.600 peak 807 spectrum 1 weight 0.10000E+01 volume 0.10946E-02 ppm1 8.158 ppm2 0.910 CV 1 ASSI { 808} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HG12)) 3.200 1.300 1.300 peak 808 spectrum 1 weight 0.10000E+01 volume 0.10504E-02 ppm1 8.228 ppm2 1.105 CV 1 ASSI { 809} (( segid " " and resid 60 and name HN )) ( segid " " and resid 60 and name HG2%) 3.900 1.900 1.900 peak 809 spectrum 1 weight 0.10000E+01 volume 0.86310E-03 ppm1 8.225 ppm2 1.036 CV 1 ASSI { 810} (( segid " " and resid 60 and name HN )) ( segid " " and resid 60 and name HD1%) 4.700 2.700 1.300 peak 810 spectrum 1 weight 0.10000E+01 volume 0.60208E-03 ppm1 8.230 ppm2 0.847 CV 1 ASSI { 811} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB )) 3.100 1.200 1.200 peak 811 spectrum 1 weight 0.10000E+01 volume 0.22377E-02 ppm1 8.230 ppm2 1.798 CV 1 ASSI { 812} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HG11)) 3.100 1.200 1.200 peak 812 spectrum 1 weight 0.10000E+01 volume 0.11107E-02 ppm1 8.227 ppm2 1.492 CV 1 ASSI { 813} (( segid " " and resid 60 and name HN )) (( segid " " and resid 53 and name HG2 )) 3.700 1.700 1.700 peak 813 spectrum 1 weight 0.10000E+01 volume 0.41142E-03 ppm1 8.227 ppm2 2.326 CV 1 ASSI { 814} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB1 )) 4.200 2.200 1.800 peak 814 spectrum 1 weight 0.10000E+01 volume 0.99544E-03 ppm1 8.227 ppm2 3.777 CV 1 OR { 814} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB2 )) ASSI { 815} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA )) 2.600 0.800 0.800 peak 815 spectrum 1 weight 0.10000E+01 volume 0.33098E-02 ppm1 8.227 ppm2 4.844 CV 1 ASSI { 816} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HA )) 3.300 1.300 1.300 peak 816 spectrum 1 weight 0.10000E+01 volume 0.82065E-03 ppm1 8.223 ppm2 4.660 CV 1 ASSI { 817} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB2 )) 2.500 0.800 0.800 peak 817 spectrum 1 weight 0.10000E+01 volume 0.31734E-02 ppm1 7.994 ppm2 2.841 CV 1 ASSI { 818} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HB1 )) 4.400 2.400 1.600 peak 818 spectrum 1 weight 0.10000E+01 volume 0.40429E-03 ppm1 8.712 ppm2 2.446 CV 1 ASSI { 819} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB1 )) 2.800 1.000 1.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.36659E-02 ppm1 8.712 ppm2 2.197 CV 1 ASSI { 820} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HG1 )) 5.000 3.100 1.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.20797E-03 ppm1 7.832 ppm2 2.532 CV 1 ASSI { 823} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HG2 )) 5.000 3.100 1.000 peak 823 spectrum 1 weight 0.10000E+01 volume 0.25879E-03 ppm1 7.831 ppm2 2.473 CV 1 ASSI { 827} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HN )) 2.500 0.800 0.800 peak 827 spectrum 1 weight 0.10000E+01 volume 0.25879E-03 ppm1 7.831 ppm2 2.473 CV 1 ASSI { 827} (( segid " " and resid 84 and name HN )) (( segid " " and resid 80 and name HA2 )) 5.300 0.800 0.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.25879E-03 ppm1 7.831 ppm2 2.473 CV 1 OR { 827} (( segid " " and resid 84 and name HN )) (( segid " " and resid 80 and name HA1 )) ASSI { 829} (( segid " " and resid 65 and name HN )) (( segid " " and resid 60 and name HB )) 5.300 0.800 0.700 peak 829 spectrum 1 weight 0.10000E+01 volume 0.25879E-03 ppm1 7.831 ppm2 2.473 CV 1 ASSI { 830} (( segid " " and resid 65 and name HN )) (( segid " " and resid 61 and name HB2 )) 5.000 0.800 0.700 peak 830 spectrum 1 weight 0.10000E+01 volume 0.25879E-03 ppm1 7.831 ppm2 2.473 CV 1 ASSI { 833} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HB )) 4.500 0.800 1.000 peak 833 spectrum 1 weight 0.10000E+01 volume 0.25879E-03 ppm1 7.831 ppm2 2.473 CV 1 ASSI { 834} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HG12 )) 3.200 0.800 1.000 peak 834 spectrum 1 weight 0.10000E+01 volume 0.25879E-03 ppm1 7.831 ppm2 2.473 CV 1 ASSI { 835} (( segid " " and resid 49 and name HN )) (( segid " " and resid 65 and name HB% )) 5.200 0.800 0.800 peak 834 spectrum 1 weight 0.10000E+01 volume 0.25879E-03 ppm1 7.831 ppm2 2.473 CV 1 ASSI { 1} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 71 and name HD1 )) 2.000 0.500 0.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.38835E-02 ppm1 2.792 ppm2 4.030 CV 1 ASSI { 5} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HA )) 2.400 0.700 0.700 peak 5 spectrum 1 weight 0.10000E+01 volume 0.36664E-02 ppm1 0.199 ppm2 3.897 CV 1 ASSI { 9} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HN )) 2.500 0.800 0.800 peak 9 spectrum 1 weight 0.10000E+01 volume 0.45981E-02 ppm1 4.361 ppm2 9.560 CV 1 ASSI { 11} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 39 and name HN )) 3.000 1.100 1.100 peak 11 spectrum 1 weight 0.10000E+01 volume 0.35347E-02 ppm1 4.258 ppm2 7.732 CV 1 ASSI { 20} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB2 )) 2.400 0.700 0.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.55221E-02 ppm1 4.249 ppm2 2.029 CV 1 OR { 20} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HG1 )) ASSI { 26} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 78 and name HG11)) 1.600 0.300 0.600 peak 26 spectrum 1 weight 0.10000E+01 volume 0.11098E-01 ppm1 1.295 ppm2 1.726 CV 1 ASSI { 35} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 74 and name HD2%) 2.900 1.100 1.100 peak 35 spectrum 1 weight 0.10000E+01 volume 0.12340E-02 ppm1 1.294 ppm2 1.065 CV 1 ASSI { 54} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 73 and name HN )) 4.100 2.100 1.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.53767E-03 ppm1 1.603 ppm2 7.830 CV 1 ASSI { 65} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HN )) 2.700 0.900 0.900 peak 65 spectrum 1 weight 0.10000E+01 volume 0.21817E-02 ppm1 1.863 ppm2 9.024 CV 1 OR { 65} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HE )) ASSI { 66} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HE )) 3.100 1.200 1.200 peak 66 spectrum 1 weight 0.10000E+01 volume 0.17885E-02 ppm1 1.602 ppm2 9.026 CV 1 OR { 66} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HN )) ASSI { 68} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HN )) 2.600 0.800 0.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.39356E-02 ppm1 1.608 ppm2 8.114 CV 1 ASSI { 70} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 30 and name HZ )) 2.900 1.100 1.100 peak 70 spectrum 1 weight 0.10000E+01 volume 0.20322E-02 ppm1 2.052 ppm2 7.324 CV 1 OR { 70} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 30 and name HZ )) OR { 70} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 30 and name HD% ) ASSI { 73} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HN )) 3.000 1.100 1.100 peak 73 spectrum 1 weight 0.10000E+01 volume 0.37025E-02 ppm1 2.274 ppm2 7.751 CV 1 ASSI { 74} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HN )) 3.000 1.100 1.100 peak 73 spectrum 1 weight 0.10000E+01 volume 0.37025E-02 ppm1 2.274 ppm2 7.751 CV 1 ASSI { 77} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HN )) 2.400 0.700 0.700 peak 77 spectrum 1 weight 0.10000E+01 volume 0.33545E-02 ppm1 2.276 ppm2 7.811 CV 1 ASSI { 78} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 37 and name HN )) 3.600 1.600 1.600 peak 78 spectrum 1 weight 0.10000E+01 volume 0.87178E-03 ppm1 2.140 ppm2 7.545 CV 1 ASSI { 80} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HN )) 2.700 0.900 0.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.28348E-02 ppm1 2.141 ppm2 8.229 CV 1 ASSI { 81} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HN )) 3.500 1.500 1.500 peak 81 spectrum 1 weight 0.10000E+01 volume 0.23896E-02 ppm1 2.235 ppm2 8.498 CV 1 ASSI { 84} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HN )) 3.000 1.200 1.200 peak 84 spectrum 1 weight 0.10000E+01 volume 0.30340E-02 ppm1 2.347 ppm2 8.515 CV 1 ASSI { 85} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HN )) 2.400 0.700 0.700 peak 85 spectrum 1 weight 0.10000E+01 volume 0.28953E-02 ppm1 2.211 ppm2 8.517 CV 1 ASSI { 87} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 48 and name HN )) 3.200 1.300 1.300 peak 87 spectrum 1 weight 0.10000E+01 volume 0.10715E-02 ppm1 2.345 ppm2 8.323 CV 1 ASSI { 89} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HN )) 3.600 1.700 1.700 peak 89 spectrum 1 weight 0.10000E+01 volume 0.17086E-02 ppm1 2.469 ppm2 7.831 CV 1 ASSI { 90} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 74 and name HN )) 3.900 1.900 1.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.88670E-03 ppm1 2.470 ppm2 7.704 CV 1 ASSI { 93} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 54 and name HN )) 3.000 1.100 1.100 peak 93 spectrum 1 weight 0.10000E+01 volume 0.11550E-02 ppm1 2.363 ppm2 8.041 CV 1 ASSI { 94} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HN )) 3.700 1.700 1.700 peak 94 spectrum 1 weight 0.10000E+01 volume 0.21043E-02 ppm1 2.495 ppm2 8.961 CV 1 ASSI { 95} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HN )) 2.700 0.900 0.900 peak 95 spectrum 1 weight 0.10000E+01 volume 0.19489E-02 ppm1 2.362 ppm2 8.962 CV 1 ASSI { 97} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HN )) 3.100 1.200 1.200 peak 97 spectrum 1 weight 0.10000E+01 volume 0.28167E-02 ppm1 2.130 ppm2 9.557 CV 1 ASSI { 99} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HA )) 2.600 0.900 0.900 peak 99 spectrum 1 weight 0.10000E+01 volume 0.44237E-02 ppm1 2.135 ppm2 4.384 CV 1 ASSI { 101} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HA )) 2.600 0.900 0.900 peak 101 spectrum 1 weight 0.10000E+01 volume 0.50216E-02 ppm1 2.268 ppm2 4.383 CV 1 ASSI { 108} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HA )) 2.800 1.000 1.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.17211E-02 ppm1 2.467 ppm2 4.232 CV 1 ASSI { 111} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HA )) 2.800 0.900 0.900 peak 111 spectrum 1 weight 0.10000E+01 volume 0.41499E-02 ppm1 2.348 ppm2 4.234 CV 1 ASSI { 113} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 44 and name HA )) 2.800 1.000 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.21805E-02 ppm1 2.210 ppm2 4.309 CV 1 ASSI { 114} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HA )) 2.700 0.900 0.900 peak 114 spectrum 1 weight 0.10000E+01 volume 0.35920E-02 ppm1 2.210 ppm2 4.227 CV 1 ASSI { 115} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HG1 )) 2.900 1.100 1.100 peak 115 spectrum 1 weight 0.10000E+01 volume 0.42287E-02 ppm1 2.495 ppm2 2.745 CV 1 ASSI { 116} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HG1 )) 2.400 0.700 0.700 peak 116 spectrum 1 weight 0.10000E+01 volume 0.37906E-02 ppm1 2.367 ppm2 2.745 CV 1 ASSI { 117} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HG2 )) 2.000 0.500 0.500 peak 117 spectrum 1 weight 0.10000E+01 volume 0.11805E-01 ppm1 2.492 ppm2 2.343 CV 1 ASSI { 120} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HG1 )) 2.700 0.900 0.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.42055E-02 ppm1 2.347 ppm2 2.597 CV 1 ASSI { 125} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HA )) 3.100 1.200 1.200 peak 125 spectrum 1 weight 0.10000E+01 volume 0.97105E-03 ppm1 1.604 ppm2 3.605 CV 1 ASSI { 128} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HD1 )) 4.000 2.000 2.000 peak 128 spectrum 1 weight 0.10000E+01 volume 0.48048E-03 ppm1 1.603 ppm2 3.490 CV 1 ASSI { 134} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HG1 )) 2.700 0.900 0.900 peak 134 spectrum 1 weight 0.10000E+01 volume 0.35182E-02 ppm1 1.896 ppm2 1.347 CV 1 ASSI { 135} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HG1 )) 2.500 0.800 0.800 peak 135 spectrum 1 weight 0.10000E+01 volume 0.45475E-02 ppm1 1.604 ppm2 1.348 CV 1 ASSI { 137} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HG2 )) 2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.26101E-02 ppm1 1.894 ppm2 0.980 CV 1 ASSI { 139} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HG2 )) 2.700 0.900 0.900 peak 139 spectrum 1 weight 0.10000E+01 volume 0.35663E-02 ppm1 1.597 ppm2 0.981 CV 1 ASSI { 141} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 52 and name HA )) 3.700 1.700 1.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.13267E-02 ppm1 1.606 ppm2 4.313 CV 1 ASSI { 142} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 52 and name HA )) 2.800 1.000 1.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.99230E-03 ppm1 1.895 ppm2 4.315 CV 1 ASSI { 143} (( segid " " and resid 55 and name HB1 )) ( segid " " and resid 56 and name HD% ) 3.400 1.400 1.400 peak 143 spectrum 1 weight 0.10000E+01 volume 0.74638E-03 ppm1 1.894 ppm2 7.436 CV 1 ASSI { 144} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 56 and name HD% ) 4.300 2.300 1.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.84471E-03 ppm1 1.605 ppm2 7.437 CV 1 ASSI { 145} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HN )) 2.900 1.000 1.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.22760E-02 ppm1 2.045 ppm2 8.129 CV 1 ASSI { 150} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HA )) 2.700 0.900 0.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.52008E-02 ppm1 2.275 ppm2 4.219 CV 1 ASSI { 151} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HA )) 3.100 1.200 1.200 peak 151 spectrum 1 weight 0.10000E+01 volume 0.22716E-02 ppm1 2.199 ppm2 4.239 CV 1 ASSI { 163} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HG1 )) 2.700 0.900 0.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.33367E-02 ppm1 2.466 ppm2 2.637 CV 1 ASSI { 164} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HG1 )) 2.300 0.600 0.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.52866E-02 ppm1 2.273 ppm2 2.630 CV 1 ASSI { 165} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HB2 )) 1.800 0.400 0.400 peak 165 spectrum 1 weight 0.10000E+01 volume 0.81741E-02 ppm1 2.469 ppm2 2.276 CV 1 ASSI { 168} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 8 and name HA )) 2.900 1.100 1.100 peak 168 spectrum 1 weight 0.10000E+01 volume 0.17924E-02 ppm1 2.049 ppm2 4.619 CV 1 OR { 168} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 8 and name HA )) ASSI { 170} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HG1 )) 2.700 0.900 0.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.26425E-02 ppm1 2.143 ppm2 2.622 CV 1 ASSI { 172} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HB1 )) 1.900 0.500 0.500 peak 172 spectrum 1 weight 0.10000E+01 volume 0.49873E-02 ppm1 1.862 ppm2 2.167 CV 1 ASSI { 173} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HG2 )) 2.400 0.700 0.700 peak 173 spectrum 1 weight 0.10000E+01 volume 0.26174E-02 ppm1 1.864 ppm2 1.511 CV 1 ASSI { 174} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HG2 )) 2.600 0.900 0.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.25583E-02 ppm1 2.176 ppm2 1.623 CV 1 ASSI { 176} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HD2 )) 3.300 1.400 1.400 peak 176 spectrum 1 weight 0.10000E+01 volume 0.77275E-03 ppm1 1.865 ppm2 3.340 CV 1 ASSI { 180} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 37 and name HN )) 3.200 1.300 1.300 peak 180 spectrum 1 weight 0.10000E+01 volume 0.74090E-03 ppm1 1.863 ppm2 7.545 CV 1 ASSI { 181} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 37 and name HN )) 3.800 1.800 1.800 peak 181 spectrum 1 weight 0.10000E+01 volume 0.64810E-03 ppm1 2.168 ppm2 7.548 CV 1 ASSI { 184} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HA )) 3.800 1.800 1.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.64360E-03 ppm1 1.863 ppm2 4.732 CV 1 ASSI { 186} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HD1 )) 2.800 0.800 0.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.89712E-03 ppm1 1.865 ppm2 3.808 CV 1 OR { 186} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HD2 )) ASSI { 187} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 64 and name HA )) 3.100 1.200 1.200 peak 187 spectrum 1 weight 0.10000E+01 volume 0.89712E-03 ppm1 1.865 ppm2 3.808 CV 1 ASSI { 188} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HA )) 2.800 0.800 0.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.89712E-03 ppm1 1.865 ppm2 3.808 CV 1 ASSI { 190} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HA )) 2.800 0.800 0.800 peak 190 spectrum 1 weight 0.10000E+01 volume 0.89712E-03 ppm1 1.865 ppm2 3.808 CV 1 ASSI { 197} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HN )) 3.100 1.200 1.200 peak 197 spectrum 1 weight 0.10000E+01 volume 0.19854E-02 ppm1 2.760 ppm2 8.245 CV 1 ASSI { 199} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 63 and name HN )) 3.700 1.700 1.700 peak 199 spectrum 1 weight 0.10000E+01 volume 0.82590E-03 ppm1 2.544 ppm2 8.612 CV 1 ASSI { 200} (( segid " " and resid 64 and name HB )) (( segid " " and resid 64 and name HN )) 2.700 0.800 0.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.82590E-03 ppm1 2.544 ppm2 8.612 CV 1 ASSI { 201} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 30 and name HD% ) 3.600 1.600 1.600 peak 201 spectrum 1 weight 0.10000E+01 volume 0.78335E-03 ppm1 2.262 ppm2 7.318 CV 1 OR { 201} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 30 and name HZ )) ASSI { 204} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HD1 )) 2.800 0.800 0.800 peak 204 spectrum 1 weight 0.10000E+01 volume 0.89712E-03 ppm1 1.865 ppm2 3.808 CV 1 OR { 186} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HD2 )) ASSI { 205} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HD2 )) 3.100 1.200 1.200 peak 205 spectrum 1 weight 0.10000E+01 volume 0.13635E-02 ppm1 2.057 ppm2 3.564 CV 1 ASSI { 210} (( segid " " and resid 64 and name HB )) (( segid " " and resid 64 and name HA )) 2.800 1.000 1.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.28621E-02 ppm1 2.220 ppm2 3.808 CV 1 ASSI { 213} (( segid " " and resid 15 and name HB )) (( segid " " and resid 15 and name HA )) 2.900 1.100 1.100 peak 213 spectrum 1 weight 0.10000E+01 volume 0.30925E-02 ppm1 2.274 ppm2 3.911 CV 1 ASSI { 214} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 31 and name HA )) 3.700 1.700 1.700 peak 214 spectrum 1 weight 0.10000E+01 volume 0.20767E-02 ppm1 2.261 ppm2 3.294 CV 1 ASSI { 218} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HN )) 2.700 0.900 0.900 peak 218 spectrum 1 weight 0.10000E+01 volume 0.25761E-02 ppm1 2.332 ppm2 8.249 CV 1 OR { 218} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HN )) ASSI { 219} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 47 and name HN )) 3.600 1.600 1.600 peak 219 spectrum 1 weight 0.10000E+01 volume 0.13688E-02 ppm1 2.334 ppm2 8.505 CV 1 OR { 219} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 47 and name HN )) ASSI { 226} (( segid " " and resid 61 and name HB1 )) ( segid " " and resid 64 and name HG2%) 4.100 2.100 1.900 peak 226 spectrum 1 weight 0.10000E+01 volume 0.17173E-02 ppm1 2.544 ppm2 1.022 CV 1 OR { 226} (( segid " " and resid 61 and name HB1 )) ( segid " " and resid 64 and name HG1%) ASSI { 228} (( segid " " and resid 64 and name HB )) ( segid " " and resid 64 and name HG1%) 2.100 0.500 0.500 peak 228 spectrum 1 weight 0.10000E+01 volume 0.12264E-01 ppm1 2.223 ppm2 1.014 CV 1 OR { 228} (( segid " " and resid 64 and name HB )) ( segid " " and resid 64 and name HG2%) ASSI { 229} (( segid " " and resid 15 and name HB )) ( segid " " and resid 15 and name HG2%) 2.200 0.600 0.600 peak 229 spectrum 1 weight 0.10000E+01 volume 0.91916E-02 ppm1 2.274 ppm2 1.108 CV 1 ASSI { 231} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HG2 )) 3.100 1.200 1.200 peak 231 spectrum 1 weight 0.10000E+01 volume 0.14664E-02 ppm1 2.256 ppm2 1.346 CV 1 ASSI { 233} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HN )) 3.900 1.900 1.900 peak 233 spectrum 1 weight 0.10000E+01 volume 0.14476E-02 ppm1 2.079 ppm2 7.502 CV 1 ASSI { 235} (( segid " " and resid 68 and name HB )) ( segid " " and resid 68 and name HG1%) 2.100 0.500 0.500 peak 235 spectrum 1 weight 0.10000E+01 volume 0.73095E-02 ppm1 2.412 ppm2 1.129 CV 1 ASSI { 237} (( segid " " and resid 68 and name HB )) (( segid " " and resid 70 and name HN )) 3.900 1.900 1.900 peak 237 spectrum 1 weight 0.10000E+01 volume 0.94046E-03 ppm1 2.412 ppm2 7.474 CV 1 ASSI { 238} (( segid " " and resid 68 and name HB )) (( segid " " and resid 68 and name HN )) 3.600 1.700 1.700 peak 238 spectrum 1 weight 0.10000E+01 volume 0.10986E-02 ppm1 2.413 ppm2 7.280 CV 1 ASSI { 240} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HD2 )) 4.100 2.100 1.900 peak 240 spectrum 1 weight 0.10000E+01 volume 0.93694E-03 ppm1 2.544 ppm2 3.564 CV 1 ASSI { 241} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HD1 )) 4.100 2.100 1.900 peak 241 spectrum 1 weight 0.10000E+01 volume 0.87211E-03 ppm1 2.542 ppm2 4.011 CV 1 ASSI { 242} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 64 and name HN )) 4.600 2.600 1.400 peak 242 spectrum 1 weight 0.10000E+01 volume 0.74901E-03 ppm1 2.545 ppm2 7.402 CV 1 ASSI { 244} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HG1 )) 2.000 0.500 0.500 peak 244 spectrum 1 weight 0.10000E+01 volume 0.14553E-01 ppm1 2.544 ppm2 2.138 CV 1 OR { 244} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HG2 )) ASSI { 246} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 47 and name HB2 )) 3.300 1.400 1.400 peak 246 spectrum 1 weight 0.10000E+01 volume 0.14062E-02 ppm1 2.846 ppm2 2.203 CV 1 ASSI { 247} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 47 and name HB2 )) 4.100 2.100 1.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.10411E-02 ppm1 2.755 ppm2 2.199 CV 1 ASSI { 248} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HB1 )) 2.200 0.600 0.600 peak 248 spectrum 1 weight 0.10000E+01 volume 0.75670E-02 ppm1 2.760 ppm2 2.318 CV 1 OR { 248} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HB2 )) ASSI { 250} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HG1 )) 2.300 0.600 0.600 peak 250 spectrum 1 weight 0.10000E+01 volume 0.83918E-02 ppm1 1.864 ppm2 1.750 CV 1 OR { 283} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HG2 )) ASSI { 250} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HG2 )) 2.200 0.600 0.600 peak 250 spectrum 1 weight 0.10000E+01 volume 0.91574E-02 ppm1 2.080 ppm2 1.757 CV 1 OR { 250} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HG1 )) ASSI { 252} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HB1 )) 1.900 0.500 0.500 peak 252 spectrum 1 weight 0.10000E+01 volume 0.58088E-02 ppm1 2.027 ppm2 2.245 CV 1 OR { 252} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HG1 )) ASSI { 253} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HB1 )) 1.700 0.300 0.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.11726E-01 ppm1 2.058 ppm2 2.542 CV 1 ASSI { 254} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HB2 )) 1.800 0.400 0.400 peak 254 spectrum 1 weight 0.10000E+01 volume 0.55395E-02 ppm1 2.261 ppm2 2.018 CV 1 ASSI { 255} (( segid " " and resid 64 and name HB )) (( segid " " and resid 61 and name HD2 )) 3.000 1.100 1.100 peak 255 spectrum 1 weight 0.10000E+01 volume 0.85607E-03 ppm1 2.218 ppm2 3.566 CV 1 ASSI { 256} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 64 and name HA )) 4.600 2.600 1.400 peak 256 spectrum 1 weight 0.10000E+01 volume 0.73240E-03 ppm1 2.075 ppm2 3.807 CV 1 ASSI { 265} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 54 and name HN )) 4.800 2.900 1.200 peak 265 spectrum 1 weight 0.10000E+01 volume 0.63351E-03 ppm1 2.314 ppm2 8.031 CV 1 ASSI { 268} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 50 and name HA )) 4.500 2.500 1.500 peak 268 spectrum 1 weight 0.10000E+01 volume 0.81009E-03 ppm1 2.313 ppm2 4.270 CV 1 ASSI { 269} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HG1 )) 1.800 0.400 0.400 peak 269 spectrum 1 weight 0.10000E+01 volume 0.84260E-02 ppm1 2.312 ppm2 2.746 CV 1 ASSI { 272} (( segid " " and resid 58 and name HB )) ( segid " " and resid 81 and name HB% ) 2.300 0.700 0.700 peak 272 spectrum 1 weight 0.10000E+01 volume 0.29660E-02 ppm1 2.136 ppm2 1.624 CV 1 ASSI { 273} (( segid " " and resid 58 and name HB )) ( segid " " and resid 58 and name HG1%) 1.800 0.400 0.400 peak 273 spectrum 1 weight 0.10000E+01 volume 0.12724E-01 ppm1 2.136 ppm2 0.950 CV 1 OR { 273} (( segid " " and resid 58 and name HB )) ( segid " " and resid 58 and name HG2%) ASSI { 274} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 58 and name HG1%) 4.500 2.600 1.500 peak 274 spectrum 1 weight 0.10000E+01 volume 0.99662E-03 ppm1 2.750 ppm2 0.914 CV 1 ASSI { 277} (( segid " " and resid 53 and name HG2 )) ( segid " " and resid 58 and name HG1%) 4.000 2.000 2.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.12258E-02 ppm1 2.315 ppm2 0.924 CV 1 ASSI { 280} (( segid " " and resid 68 and name HB )) ( segid " " and resid 77 and name HD1%) 4.200 2.200 1.800 peak 280 spectrum 1 weight 0.10000E+01 volume 0.55911E-03 ppm1 2.411 ppm2 0.956 CV 1 ASSI { 281} (( segid " " and resid 68 and name HB )) ( segid " " and resid 74 and name HD1%) 4.600 2.600 1.400 peak 281 spectrum 1 weight 0.10000E+01 volume 0.37956E-03 ppm1 2.411 ppm2 1.021 CV 1 ASSI { 282} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 31 and name HD1%) 4.300 2.300 1.700 peak 282 spectrum 1 weight 0.10000E+01 volume 0.11542E-02 ppm1 2.255 ppm2 0.444 CV 1 ASSI { 283} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG1 )) 2.300 0.600 0.600 peak 283 spectrum 1 weight 0.10000E+01 volume 0.83918E-02 ppm1 1.864 ppm2 1.750 CV 1 OR { 283} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG2 )) ASSI { 284} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HB1 )) 1.700 0.300 0.500 peak 284 spectrum 1 weight 0.10000E+01 volume 0.14716E-01 ppm1 1.864 ppm2 2.074 CV 1 ASSI { 286} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 78 and name HA )) 3.000 1.100 1.100 peak 286 spectrum 1 weight 0.10000E+01 volume 0.19340E-02 ppm1 0.851 ppm2 3.747 CV 1 ASSI { 290} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 35 and name HA )) 2.600 0.800 0.800 peak 290 spectrum 1 weight 0.10000E+01 volume 0.34184E-02 ppm1 0.880 ppm2 4.382 CV 1 ASSI { 294} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 30 and name HD% ) 3.100 1.200 1.200 peak 294 spectrum 1 weight 0.10000E+01 volume 0.75502E-03 ppm1 0.881 ppm2 7.316 CV 1 ASSI { 295} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 35 and name HD% ) 2.600 0.900 0.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.23267E-02 ppm1 0.879 ppm2 7.122 CV 1 ASSI { 297} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 40 and name HE% ) 3.000 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.12983E-02 ppm1 0.879 ppm2 6.736 CV 1 ASSI { 299} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HN )) 3.500 1.600 1.600 peak 299 spectrum 1 weight 0.10000E+01 volume 0.14722E-02 ppm1 0.800 ppm2 8.281 CV 1 ASSI { 302} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 40 and name HB1 )) 4.100 2.100 1.900 peak 302 spectrum 1 weight 0.10000E+01 volume 0.86475E-03 ppm1 0.878 ppm2 3.002 CV 1 ASSI { 305} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 53 and name HG1 )) 3.500 1.500 1.500 peak 305 spectrum 1 weight 0.10000E+01 volume 0.96575E-03 ppm1 0.800 ppm2 2.751 CV 1 ASSI { 306} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HB )) 2.400 0.700 0.700 peak 306 spectrum 1 weight 0.10000E+01 volume 0.55423E-02 ppm1 0.879 ppm2 2.453 CV 1 ASSI { 307} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 53 and name HG2 )) 3.400 1.400 1.400 peak 307 spectrum 1 weight 0.10000E+01 volume 0.11163E-02 ppm1 0.798 ppm2 2.313 CV 1 ASSI { 308} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HB1 )) 2.700 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.22319E-02 ppm1 0.799 ppm2 2.217 CV 1 ASSI { 311} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HG11)) 2.000 0.500 0.500 peak 311 spectrum 1 weight 0.10000E+01 volume 0.10572E-01 ppm1 0.799 ppm2 1.716 CV 1 ASSI { 314} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HG12)) 2.100 0.500 0.500 peak 314 spectrum 1 weight 0.10000E+01 volume 0.83031E-02 ppm1 0.798 ppm2 1.290 CV 1 ASSI { 331} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HA )) 2.800 1.000 1.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.27209E-02 ppm1 0.666 ppm2 4.529 CV 1 ASSI { 335} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 56 and name HD% ) 3.600 1.600 1.600 peak 335 spectrum 1 weight 0.10000E+01 volume 0.94970E-03 ppm1 0.665 ppm2 7.436 CV 1 ASSI { 336} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 56 and name HE% ) 3.000 1.100 1.100 peak 336 spectrum 1 weight 0.10000E+01 volume 0.17092E-02 ppm1 0.666 ppm2 6.812 CV 1 ASSI { 337} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 10 and name HN )) 3.700 1.700 1.700 peak 337 spectrum 1 weight 0.10000E+01 volume 0.73104E-03 ppm1 0.666 ppm2 8.088 CV 1 ASSI { 340} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HN )) 3.800 1.900 1.900 peak 340 spectrum 1 weight 0.10000E+01 volume 0.11668E-02 ppm1 0.665 ppm2 9.420 CV 1 ASSI { 341} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 6 and name HN )) 3.100 1.200 1.200 peak 341 spectrum 1 weight 0.10000E+01 volume 0.16234E-02 ppm1 0.665 ppm2 8.999 CV 1 ASSI { 344} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 9 and name HB2 )) 2.800 1.000 1.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.19026E-02 ppm1 0.666 ppm2 2.701 CV 1 ASSI { 345} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 9 and name HB1 )) 3.200 1.300 1.300 peak 345 spectrum 1 weight 0.10000E+01 volume 0.16943E-02 ppm1 0.666 ppm2 3.037 CV 1 ASSI { 350} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HB2 )) 2.900 1.000 1.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.30022E-02 ppm1 0.619 ppm2 1.338 CV 1 OR { 350} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HB2 )) ASSI { 356} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HG )) 2.200 0.600 0.600 peak 356 spectrum 1 weight 0.10000E+01 volume 0.83481E-02 ppm1 0.619 ppm2 1.573 CV 1 OR { 356} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HG )) OR { 356} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HB1 )) OR { 356} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HB1 )) ASSI { 369} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HN )) 3.000 3.000 3.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.28574E-02 ppm1 0.863 ppm2 8.418 CV 1 ASSI { 377} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 49 and name HA )) 3.500 3.500 2.500 peak 377 spectrum 1 weight 0.10000E+01 volume 0.37975E-02 ppm1 0.863 ppm2 3.948 CV 1 ASSI { 379} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HA )) 3.400 1.400 1.400 peak 379 spectrum 1 weight 0.10000E+01 volume 0.22900E-02 ppm1 0.865 ppm2 4.314 CV 1 ASSI { 380} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 11 and name HA )) 3.400 1.400 1.400 peak 380 spectrum 1 weight 0.10000E+01 volume 0.83636E-03 ppm1 0.803 ppm2 3.513 CV 1 ASSI { 381} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 11 and name HA )) 3.200 1.300 1.300 peak 381 spectrum 1 weight 0.10000E+01 volume 0.17757E-02 ppm1 0.906 ppm2 3.513 CV 1 ASSI { 384} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 35 and name HE% ) 2.800 0.900 0.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.22339E-02 ppm1 0.905 ppm2 6.919 CV 1 OR { 384} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 35 and name HZ )) ASSI { 385} (( segid " " and resid 55 and name HG2 )) ( segid " " and resid 56 and name HE% ) 3.500 1.500 1.500 peak 385 spectrum 1 weight 0.10000E+01 volume 0.52078E-03 ppm1 0.971 ppm2 6.813 CV 1 ASSI { 387} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 30 and name HE% ) 2.700 0.900 0.900 peak 387 spectrum 1 weight 0.10000E+01 volume 0.23144E-02 ppm1 0.904 ppm2 7.207 CV 1 ASSI { 389} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 55 and name HN )) 4.300 2.300 1.700 peak 389 spectrum 1 weight 0.10000E+01 volume 0.10326E-02 ppm1 0.963 ppm2 8.111 CV 1 ASSI { 391} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 30 and name HZ )) 3.900 1.900 1.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.74854E-03 ppm1 0.804 ppm2 7.315 CV 1 OR { 391} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 30 and name HD% ) ASSI { 392} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 30 and name HE% ) 4.200 2.200 1.800 peak 392 spectrum 1 weight 0.10000E+01 volume 0.38799E-03 ppm1 0.803 ppm2 7.203 CV 1 ASSI { 394} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 40 and name HE% ) 3.600 1.600 1.600 peak 394 spectrum 1 weight 0.10000E+01 volume 0.91748E-03 ppm1 0.803 ppm2 6.735 CV 1 ASSI { 395} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 15 and name HA )) 3.500 1.600 1.600 peak 395 spectrum 1 weight 0.10000E+01 volume 0.68648E-03 ppm1 0.805 ppm2 3.913 CV 1 ASSI { 396} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 14 and name HB1 )) 2.600 0.900 0.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.24667E-02 ppm1 0.801 ppm2 1.997 CV 1 ASSI { 397} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HG )) 2.000 0.500 0.500 peak 397 spectrum 1 weight 0.10000E+01 volume 0.14016E-01 ppm1 0.802 ppm2 1.576 CV 1 ASSI { 398} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HB1 )) 2.200 0.600 0.600 peak 398 spectrum 1 weight 0.10000E+01 volume 0.87887E-02 ppm1 0.801 ppm2 1.430 CV 1 ASSI { 399} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HB2 )) 2.500 0.800 0.800 peak 399 spectrum 1 weight 0.10000E+01 volume 0.56047E-02 ppm1 0.800 ppm2 1.221 CV 1 ASSI { 400} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 15 and name HG2%) 2.300 0.700 0.700 peak 400 spectrum 1 weight 0.10000E+01 volume 0.64008E-02 ppm1 0.800 ppm2 1.112 CV 1 ASSI { 401} (( segid " " and resid 74 and name HG )) (( segid " " and resid 74 and name HB1 )) 2.600 0.800 0.800 peak 401 spectrum 1 weight 0.10000E+01 volume 0.39410E-02 ppm1 0.982 ppm2 2.430 CV 1 ASSI { 402} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 10 and name HB1 )) 3.600 1.600 1.600 peak 402 spectrum 1 weight 0.10000E+01 volume 0.13502E-02 ppm1 0.877 ppm2 2.314 CV 1 ASSI { 405} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 55 and name HD2 )) 2.700 0.900 0.900 peak 405 spectrum 1 weight 0.10000E+01 volume 0.30068E-02 ppm1 0.972 ppm2 3.021 CV 1 ASSI { 406} (( segid " " and resid 74 and name HG )) (( segid " " and resid 49 and name HA )) 3.500 1.600 1.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.10644E-02 ppm1 0.983 ppm2 3.947 CV 1 ASSI { 409} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 4 and name HA )) 2.700 0.900 0.900 peak 409 spectrum 1 weight 0.10000E+01 volume 0.33446E-02 ppm1 0.987 ppm2 4.373 CV 1 ASSI { 410} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 79 and name HA )) 2.900 1.100 1.100 peak 410 spectrum 1 weight 0.10000E+01 volume 0.13354E-02 ppm1 0.986 ppm2 4.901 CV 1 ASSI { 411} (( segid " " and resid 74 and name HG )) (( segid " " and resid 35 and name HZ )) 2.900 2.900 3.100 peak 411 spectrum 1 weight 0.10000E+01 volume 0.30142E-02 ppm1 0.983 ppm2 6.888 CV 1 ASSI { 412} ( segid " " and resid 82 and name HD2%) ( segid " " and resid 56 and name HD% ) 3.600 1.600 1.600 peak 412 spectrum 1 weight 0.10000E+01 volume 0.68497E-03 ppm1 0.988 ppm2 7.435 CV 1 ASSI { 414} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HN )) 4.200 2.200 1.800 peak 414 spectrum 1 weight 0.10000E+01 volume 0.11747E-02 ppm1 0.987 ppm2 8.294 CV 1 ASSI { 416} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 5 and name HN )) 2.900 1.100 1.100 peak 416 spectrum 1 weight 0.10000E+01 volume 0.16188E-02 ppm1 0.989 ppm2 9.420 CV 1 ASSI { 420} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 30 and name HD% ) 3.100 1.200 1.200 peak 420 spectrum 1 weight 0.10000E+01 volume 0.86475E-03 ppm1 1.346 ppm2 7.314 CV 1 ASSI { 426} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HD2 )) 2.400 0.700 0.700 peak 426 spectrum 1 weight 0.10000E+01 volume 0.34821E-02 ppm1 1.400 ppm2 3.191 CV 1 OR { 426} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HD1 )) ASSI { 429} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 31 and name HA )) 3.200 1.300 1.300 peak 429 spectrum 1 weight 0.10000E+01 volume 0.46979E-03 ppm1 1.350 ppm2 3.294 CV 1 ASSI { 431} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HG1 )) 1.900 0.500 0.500 peak 431 spectrum 1 weight 0.10000E+01 volume 0.60142E-02 ppm1 1.344 ppm2 2.203 CV 1 OR { 431} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HB1 )) ASSI { 432} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HA )) 3.200 1.300 1.300 peak 432 spectrum 1 weight 0.10000E+01 volume 0.17360E-02 ppm1 1.146 ppm2 3.515 CV 1 ASSI { 433} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HD2 )) 2.700 0.900 0.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.26471E-02 ppm1 1.146 ppm2 3.190 CV 1 OR { 433} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HD1 )) ASSI { 435} (( segid " " and resid 60 and name HG12)) (( segid " " and resid 60 and name HA )) 3.400 1.500 1.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.11566E-02 ppm1 1.115 ppm2 4.651 CV 1 ASSI { 436} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 30 and name HA )) 3.200 1.300 1.300 peak 436 spectrum 1 weight 0.10000E+01 volume 0.29147E-02 ppm1 1.073 ppm2 4.755 CV 1 ASSI { 437} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HA )) 3.000 1.100 1.100 peak 437 spectrum 1 weight 0.10000E+01 volume 0.13091E-02 ppm1 1.072 ppm2 4.313 CV 1 ASSI { 440} ( segid " " and resid 33 and name HD2%) ( segid " " and resid 30 and name HD% ) 3.800 1.800 1.800 peak 440 spectrum 1 weight 0.10000E+01 volume 0.57328E-03 ppm1 1.073 ppm2 7.316 CV 1 ASSI { 445} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HN )) 3.900 1.900 1.900 peak 445 spectrum 1 weight 0.10000E+01 volume 0.11684E-02 ppm1 0.967 ppm2 8.007 CV 1 ASSI { 447} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 79 and name HD22)) 4.000 2.000 2.000 peak 447 spectrum 1 weight 0.10000E+01 volume 0.66391E-03 ppm1 0.957 ppm2 7.672 CV 1 ASSI { 448} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 79 and name HD21)) 4.300 2.300 1.700 peak 448 spectrum 1 weight 0.10000E+01 volume 0.64458E-03 ppm1 0.955 ppm2 7.328 CV 1 ASSI { 450} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HN )) 4.200 2.300 1.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.89214E-03 ppm1 1.014 ppm2 7.791 CV 1 OR { 450} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HN )) ASSI { 451} ( segid " " and resid 82 and name HD1%) ( segid " " and resid 56 and name HD% ) 3.500 1.500 1.500 peak 451 spectrum 1 weight 0.10000E+01 volume 0.11702E-02 ppm1 0.993 ppm2 7.436 CV 1 ASSI { 452} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 56 and name HD% ) 3.300 1.400 1.400 peak 452 spectrum 1 weight 0.10000E+01 volume 0.29653E-02 ppm1 1.044 ppm2 7.435 CV 1 ASSI { 453} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 56 and name HE% ) 2.500 0.800 0.800 peak 453 spectrum 1 weight 0.10000E+01 volume 0.55202E-02 ppm1 1.044 ppm2 6.813 CV 1 ASSI { 454} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HN )) 4.200 2.200 1.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.14309E-02 ppm1 0.993 ppm2 8.293 CV 1 ASSI { 456} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 56 and name HA )) 3.800 1.800 1.800 peak 456 spectrum 1 weight 0.10000E+01 volume 0.51951E-03 ppm1 0.991 ppm2 4.670 CV 1 ASSI { 457} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HA )) 2.200 0.600 0.600 peak 457 spectrum 1 weight 0.10000E+01 volume 0.11329E-01 ppm1 0.993 ppm2 4.204 CV 1 ASSI { 458} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HA )) 2.400 0.700 0.700 peak 458 spectrum 1 weight 0.10000E+01 volume 0.44284E-02 ppm1 1.067 ppm2 4.267 CV 1 ASSI { 459} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HA )) 2.500 0.800 0.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.42230E-02 ppm1 1.013 ppm2 4.268 CV 1 OR { 459} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HA )) ASSI { 461} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 42 and name H42B)) 3.200 1.300 1.300 peak 461 spectrum 1 weight 0.10000E+01 volume 0.65758E-03 ppm1 1.014 ppm2 3.453 CV 1 OR { 461} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 42 and name H42B)) OR { 461} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 42 and name H42A)) ASSI { 462} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 56 and name HB1 )) 2.700 0.900 0.900 peak 462 spectrum 1 weight 0.10000E+01 volume 0.21143E-02 ppm1 0.992 ppm2 3.449 CV 1 ASSI { 464} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 56 and name HB2 )) 4.300 2.300 1.700 peak 464 spectrum 1 weight 0.10000E+01 volume 0.12433E-02 ppm1 0.991 ppm2 2.790 CV 1 ASSI { 465} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HA )) 2.400 0.700 0.700 peak 465 spectrum 1 weight 0.10000E+01 volume 0.36216E-02 ppm1 0.370 ppm2 3.899 CV 1 ASSI { 469} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 48 and name HB )) 3.400 1.400 1.400 peak 469 spectrum 1 weight 0.10000E+01 volume 0.72316E-03 ppm1 0.198 ppm2 4.395 CV 1 ASSI { 474} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 35 and name HB1 )) 3.300 1.300 1.300 peak 474 spectrum 1 weight 0.10000E+01 volume 0.67888E-03 ppm1 0.369 ppm2 3.604 CV 1 ASSI { 475} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 35 and name HB1 )) 5.100 3.200 0.900 peak 475 spectrum 1 weight 0.10000E+01 volume 0.25551E-03 ppm1 0.198 ppm2 3.604 CV 1 ASSI { 477} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 40 and name HB2 )) 4.500 2.500 1.500 peak 477 spectrum 1 weight 0.10000E+01 volume 0.47832E-03 ppm1 0.371 ppm2 2.790 CV 1 ASSI { 478} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 40 and name HB1 )) 5.300 3.600 0.700 peak 478 spectrum 1 weight 0.10000E+01 volume 0.37000E-03 ppm1 0.200 ppm2 2.995 CV 1 ASSI { 480} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 68 and name HB )) 4.500 2.600 1.500 peak 480 spectrum 1 weight 0.10000E+01 volume 0.43929E-03 ppm1 0.198 ppm2 2.406 CV 1 ASSI { 481} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 68 and name HB )) 3.900 1.900 1.900 peak 481 spectrum 1 weight 0.10000E+01 volume 0.45270E-03 ppm1 0.370 ppm2 2.408 CV 1 ASSI { 482} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 74 and name HB2 )) 4.000 2.000 2.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.46909E-03 ppm1 0.369 ppm2 1.714 CV 1 ASSI { 483} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 74 and name HB2 )) 4.000 2.000 2.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.37617E-03 ppm1 0.196 ppm2 1.718 CV 1 ASSI { 484} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HB2 )) 2.300 0.700 0.700 peak 484 spectrum 1 weight 0.10000E+01 volume 0.61362E-02 ppm1 0.369 ppm2 1.534 CV 1 ASSI { 486} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HB1 )) 2.500 0.800 0.800 peak 486 spectrum 1 weight 0.10000E+01 volume 0.37401E-02 ppm1 0.196 ppm2 1.602 CV 1 ASSI { 487} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HB1 )) 3.300 1.300 1.300 peak 487 spectrum 1 weight 0.10000E+01 volume 0.35424E-02 ppm1 0.373 ppm2 1.603 CV 1 ASSI { 488} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HG )) 2.300 0.600 0.600 peak 488 spectrum 1 weight 0.10000E+01 volume 0.58848E-02 ppm1 0.370 ppm2 1.357 CV 1 ASSI { 489} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HG )) 2.300 0.700 0.700 peak 489 spectrum 1 weight 0.10000E+01 volume 0.60372E-02 ppm1 0.197 ppm2 1.356 CV 1 ASSI { 490} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 68 and name HG2%) 2.800 1.000 1.000 peak 490 spectrum 1 weight 0.10000E+01 volume 0.43326E-02 ppm1 0.371 ppm2 1.218 CV 1 ASSI { 491} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 68 and name HG2%) 2.500 0.800 0.800 peak 491 spectrum 1 weight 0.10000E+01 volume 0.39361E-02 ppm1 0.198 ppm2 1.218 CV 1 ASSI { 492} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 74 and name HG )) 2.600 0.900 0.900 peak 492 spectrum 1 weight 0.10000E+01 volume 0.39144E-02 ppm1 0.197 ppm2 0.980 CV 1 OR { 492} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 74 and name HD1%) ASSI { 498} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 35 and name HD% ) 3.000 1.100 1.100 peak 498 spectrum 1 weight 0.10000E+01 volume 0.12943E-02 ppm1 0.371 ppm2 7.122 CV 1 ASSI { 499} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 35 and name HE% ) 2.800 1.000 1.000 peak 499 spectrum 1 weight 0.10000E+01 volume 0.23364E-02 ppm1 0.371 ppm2 6.929 CV 1 ASSI { 500} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 40 and name HE% ) 4.200 2.200 1.800 peak 500 spectrum 1 weight 0.10000E+01 volume 0.38319E-03 ppm1 0.370 ppm2 6.734 CV 1 ASSI { 501} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 35 and name HD% ) 3.600 1.700 1.700 peak 501 spectrum 1 weight 0.10000E+01 volume 0.11937E-02 ppm1 0.198 ppm2 7.123 CV 1 ASSI { 503} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 40 and name HE% ) 4.400 2.500 1.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.50023E-03 ppm1 0.197 ppm2 6.734 CV 1 ASSI { 505} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HN )) 3.900 1.900 1.900 peak 505 spectrum 1 weight 0.10000E+01 volume 0.14494E-02 ppm1 0.449 ppm2 7.531 CV 1 ASSI { 506} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 30 and name HD% ) 3.400 1.500 1.500 peak 506 spectrum 1 weight 0.10000E+01 volume 0.22090E-02 ppm1 0.449 ppm2 7.323 CV 1 OR { 506} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 30 and name HZ )) ASSI { 508} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 32 and name HN )) 4.200 2.200 1.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.56352E-03 ppm1 0.449 ppm2 8.085 CV 1 ASSI { 509} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 46 and name HN )) 5.200 3.400 0.800 peak 509 spectrum 1 weight 0.10000E+01 volume 0.45055E-03 ppm1 0.369 ppm2 8.245 CV 1 ASSI { 513} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HN )) 3.100 1.200 1.200 peak 513 spectrum 1 weight 0.10000E+01 volume 0.13268E-02 ppm1 0.449 ppm2 9.015 CV 1 OR { 513} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HE )) ASSI { 517} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 30 and name HD% ) 3.200 1.300 1.300 peak 517 spectrum 1 weight 0.10000E+01 volume 0.23997E-02 ppm1 0.698 ppm2 7.314 CV 1 OR { 517} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 30 and name HZ )) ASSI { 519} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 40 and name HE% ) 3.700 1.700 1.700 peak 519 spectrum 1 weight 0.10000E+01 volume 0.73320E-03 ppm1 0.698 ppm2 6.734 CV 1 ASSI { 522} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 35 and name HE% ) 2.500 0.800 0.800 peak 522 spectrum 1 weight 0.10000E+01 volume 0.42312E-02 ppm1 0.765 ppm2 6.930 CV 1 ASSI { 523} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 7 and name HB )) 3.900 1.900 1.900 peak 523 spectrum 1 weight 0.10000E+01 volume 0.64275E-03 ppm1 0.450 ppm2 4.321 CV 1 ASSI { 524} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 71 and name HA )) 4.700 2.800 1.300 peak 524 spectrum 1 weight 0.10000E+01 volume 0.71683E-03 ppm1 0.449 ppm2 4.230 CV 1 ASSI { 525} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 7 and name HA )) 3.700 1.700 1.700 peak 525 spectrum 1 weight 0.10000E+01 volume 0.11392E-02 ppm1 0.449 ppm2 3.870 CV 1 ASSI { 526} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HA )) 2.700 0.900 0.900 peak 526 spectrum 1 weight 0.10000E+01 volume 0.35892E-02 ppm1 0.449 ppm2 3.605 CV 1 ASSI { 527} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HA )) 2.100 0.500 0.500 peak 527 spectrum 1 weight 0.10000E+01 volume 0.77819E-02 ppm1 0.449 ppm2 3.295 CV 1 ASSI { 528} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 30 and name HB1 )) 3.300 1.400 1.400 peak 528 spectrum 1 weight 0.10000E+01 volume 0.22149E-02 ppm1 0.698 ppm2 3.290 CV 1 ASSI { 529} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 30 and name HB2 )) 3.300 1.400 1.400 peak 529 spectrum 1 weight 0.10000E+01 volume 0.14949E-02 ppm1 0.699 ppm2 3.010 CV 1 ASSI { 530} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 38 and name HB )) 4.000 2.000 2.000 peak 530 spectrum 1 weight 0.10000E+01 volume 0.42839E-03 ppm1 0.700 ppm2 2.455 CV 1 ASSI { 531} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 71 and name HB1 )) 3.600 1.600 1.600 peak 531 spectrum 1 weight 0.10000E+01 volume 0.36637E-02 ppm1 0.450 ppm2 2.235 CV 1 OR { 531} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 71 and name HG1 )) ASSI { 532} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HB1 )) 2.300 0.700 0.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.23083E-02 ppm1 0.451 ppm2 1.862 CV 1 ASSI { 534} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 71 and name HB2 )) 2.100 0.600 0.600 peak 534 spectrum 1 weight 0.10000E+01 volume 0.41490E-02 ppm1 0.450 ppm2 2.015 CV 1 ASSI { 536} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HG2 )) 3.300 1.300 1.300 peak 536 spectrum 1 weight 0.10000E+01 volume 0.25958E-02 ppm1 0.450 ppm2 1.514 CV 1 ASSI { 538} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 10 and name HB1 )) 3.800 1.800 1.800 peak 538 spectrum 1 weight 0.10000E+01 volume 0.17377E-02 ppm1 0.798 ppm2 2.343 CV 1 ASSI { 539} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HB1 )) 2.700 0.900 0.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.23714E-02 ppm1 0.797 ppm2 2.195 CV 1 ASSI { 540} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HB1 )) 3.400 1.400 1.400 peak 540 spectrum 1 weight 0.10000E+01 volume 0.30515E-02 ppm1 0.764 ppm2 1.991 CV 1 ASSI { 541} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HG )) 2.300 0.600 0.600 peak 541 spectrum 1 weight 0.10000E+01 volume 0.65397E-02 ppm1 0.764 ppm2 1.877 CV 1 ASSI { 542} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HB1 )) 3.000 1.100 1.100 peak 542 spectrum 1 weight 0.10000E+01 volume 0.95871E-03 ppm1 0.890 ppm2 3.088 CV 1 ASSI { 544} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 31 and name HA )) 4.400 2.400 1.600 peak 544 spectrum 1 weight 0.10000E+01 volume 0.76857E-03 ppm1 0.784 ppm2 3.294 CV 1 ASSI { 545} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 61 and name HD2 )) 2.900 1.100 1.100 peak 545 spectrum 1 weight 0.10000E+01 volume 0.19400E-02 ppm1 1.031 ppm2 3.561 CV 1 ASSI { 547} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HA )) 2.300 0.700 0.700 peak 547 spectrum 1 weight 0.10000E+01 volume 0.86465E-02 ppm1 1.032 ppm2 3.808 CV 1 ASSI { 548} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 63 and name HA )) 3.800 1.800 1.800 peak 548 spectrum 1 weight 0.10000E+01 volume 0.10062E-02 ppm1 1.032 ppm2 4.520 CV 1 ASSI { 549} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HN )) 2.200 0.600 0.600 peak 549 spectrum 1 weight 0.10000E+01 volume 0.56582E-02 ppm1 1.031 ppm2 7.401 CV 1 ASSI { 551} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 61 and name HG2 )) 2.500 0.800 0.800 peak 551 spectrum 1 weight 0.10000E+01 volume 0.45413E-02 ppm1 1.032 ppm2 2.129 CV 1 OR { 551} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 61 and name HG1 )) ASSI { 553} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 61 and name HB1 )) 4.500 2.600 1.500 peak 553 spectrum 1 weight 0.10000E+01 volume 0.90157E-03 ppm1 1.032 ppm2 2.539 CV 1 ASSI { 556} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 69 and name HB2 )) 2.800 1.000 1.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.33795E-02 ppm1 1.079 ppm2 2.868 CV 1 ASSI { 557} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 71 and name HD2 )) 3.800 1.900 1.900 peak 557 spectrum 1 weight 0.10000E+01 volume 0.11434E-02 ppm1 1.079 ppm2 2.791 CV 1 ASSI { 559} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HD1 )) 3.800 1.800 1.800 peak 559 spectrum 1 weight 0.10000E+01 volume 0.37089E-03 ppm1 1.081 ppm2 3.450 CV 1 ASSI { 561} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HA )) 2.600 0.800 0.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.42993E-02 ppm1 1.080 ppm2 4.734 CV 1 ASSI { 562} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 70 and name HB )) 2.400 0.700 0.700 peak 562 spectrum 1 weight 0.10000E+01 volume 0.48029E-02 ppm1 1.079 ppm2 4.623 CV 1 ASSI { 563} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 32 and name HA )) 3.300 1.400 1.400 peak 563 spectrum 1 weight 0.10000E+01 volume 0.10776E-02 ppm1 1.081 ppm2 5.047 CV 1 ASSI { 564} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 70 and name HA )) 2.700 0.900 0.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.23743E-02 ppm1 1.080 ppm2 4.936 CV 1 ASSI { 568} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 69 and name HN )) 4.400 2.400 1.600 peak 568 spectrum 1 weight 0.10000E+01 volume 0.66588E-03 ppm1 1.079 ppm2 9.167 CV 1 ASSI { 570} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HN )) 2.500 0.800 0.800 peak 570 spectrum 1 weight 0.10000E+01 volume 0.58580E-02 ppm1 1.419 ppm2 9.000 CV 1 ASSI { 571} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 7 and name HN )) 4.100 2.100 1.900 peak 571 spectrum 1 weight 0.10000E+01 volume 0.19764E-02 ppm1 1.419 ppm2 8.866 CV 1 ASSI { 572} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 9 and name HN )) 4.500 2.600 1.500 peak 572 spectrum 1 weight 0.10000E+01 volume 0.60987E-03 ppm1 1.416 ppm2 7.906 CV 1 ASSI { 573} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 8 and name HN )) 4.800 2.800 1.200 peak 573 spectrum 1 weight 0.10000E+01 volume 0.66476E-03 ppm1 1.417 ppm2 8.289 CV 1 ASSI { 574} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HB )) 2.300 0.700 0.700 peak 574 spectrum 1 weight 0.10000E+01 volume 0.61156E-02 ppm1 1.419 ppm2 4.855 CV 1 ASSI { 575} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HA )) 2.600 0.800 0.800 peak 575 spectrum 1 weight 0.10000E+01 volume 0.52463E-02 ppm1 1.419 ppm2 4.764 CV 1 ASSI { 577} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 9 and name HB1 )) 4.900 3.000 1.100 peak 577 spectrum 1 weight 0.10000E+01 volume 0.44419E-03 ppm1 1.419 ppm2 3.038 CV 1 ASSI { 579} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 3 and name HB )) 2.500 0.800 0.800 peak 579 spectrum 1 weight 0.10000E+01 volume 0.66128E-02 ppm1 1.382 ppm2 4.190 CV 1 ASSI { 580} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 3 and name HA )) 2.700 0.900 0.900 peak 580 spectrum 1 weight 0.10000E+01 volume 0.43485E-02 ppm1 1.383 ppm2 4.391 CV 1 ASSI { 582} ( segid " " and resid 3 and name HG2%) ( segid " " and resid 56 and name HD% ) 3.600 3.600 2.400 peak 582 spectrum 1 weight 0.10000E+01 volume 0.61118E-03 ppm1 1.385 ppm2 7.434 CV 1 ASSI { 583} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 4 and name HN )) 3.200 1.300 1.300 peak 583 spectrum 1 weight 0.10000E+01 volume 0.29051E-02 ppm1 1.383 ppm2 8.150 CV 1 ASSI { 584} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 53 and name HA )) 2.500 0.800 0.800 peak 584 spectrum 1 weight 0.10000E+01 volume 0.17178E-02 ppm1 0.974 ppm2 4.104 CV 1 ASSI { 587} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 82 and name HA )) 3.700 1.800 1.800 peak 587 spectrum 1 weight 0.10000E+01 volume 0.24940E-02 ppm1 0.974 ppm2 4.209 CV 1 ASSI { 589} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HA )) 2.900 1.000 1.000 peak 589 spectrum 1 weight 0.10000E+01 volume 0.45962E-02 ppm1 0.972 ppm2 4.669 CV 1 ASSI { 590} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 64 and name HN )) 3.300 1.400 1.400 peak 590 spectrum 1 weight 0.10000E+01 volume 0.37112E-02 ppm1 0.978 ppm2 7.403 CV 1 ASSI { 591} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HN )) 2.600 0.900 0.900 peak 591 spectrum 1 weight 0.10000E+01 volume 0.27255E-02 ppm1 0.974 ppm2 7.495 CV 1 ASSI { 594} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 59 and name HN )) 3.200 1.300 1.300 peak 594 spectrum 1 weight 0.10000E+01 volume 0.17009E-02 ppm1 0.973 ppm2 8.485 CV 1 ASSI { 597} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 79 and name HD21)) 3.400 1.400 1.400 peak 597 spectrum 1 weight 0.10000E+01 volume 0.26824E-02 ppm1 0.797 ppm2 7.328 CV 1 ASSI { 599} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 10 and name HN )) 3.200 1.300 1.300 peak 599 spectrum 1 weight 0.10000E+01 volume 0.39390E-03 ppm1 0.800 ppm2 8.084 CV 1 ASSI { 600} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 79 and name HN )) 3.900 1.900 1.900 peak 600 spectrum 1 weight 0.10000E+01 volume 0.63600E-03 ppm1 0.800 ppm2 8.868 CV 1 ASSI { 602} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HN )) 4.300 2.300 1.700 peak 602 spectrum 1 weight 0.10000E+01 volume 0.64885E-03 ppm1 0.797 ppm2 9.420 CV 1 ASSI { 605} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HA )) 2.100 0.500 0.500 peak 605 spectrum 1 weight 0.10000E+01 volume 0.76402E-02 ppm1 0.798 ppm2 3.883 CV 1 ASSI { 606} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HG )) 2.300 0.600 0.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.66274E-02 ppm1 0.698 ppm2 1.574 CV 1 ASSI { 610} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) 3.800 1.800 1.800 peak 610 spectrum 1 weight 0.10000E+01 volume 0.10137E-02 ppm1 8.479 ppm2 2.756 CV 1 ASSI { 612} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 2.300 0.700 0.700 peak 612 spectrum 1 weight 0.10000E+01 volume 0.58801E-02 ppm1 8.474 ppm2 4.718 CV 1 ASSI { 611} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HG )) 2.000 0.500 0.500 peak 611 spectrum 1 weight 0.10000E+01 volume 0.11470E-01 ppm1 0.450 ppm2 1.158 CV 1 ASSI { 614} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HA )) 2.400 0.700 0.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.87718E-02 ppm1 0.698 ppm2 4.359 CV 1 ASSI { 615} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 24 and name HB )) 3.400 1.500 1.500 peak 615 spectrum 1 weight 0.10000E+01 volume 0.72752E-03 ppm1 0.698 ppm2 4.237 CV 1 ASSI { 617} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HA )) 2.400 0.700 0.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.63966E-02 ppm1 1.133 ppm2 4.460 CV 1 ASSI { 618} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HA )) 2.400 0.700 0.700 peak 618 spectrum 1 weight 0.10000E+01 volume 0.52270E-02 ppm1 1.133 ppm2 4.307 CV 1 ASSI { 619} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 25 and name HA )) 4.200 2.200 1.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.60227E-03 ppm1 0.697 ppm2 4.737 CV 1 ASSI { 620} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HA )) 3.500 1.500 1.500 peak 620 spectrum 1 weight 0.10000E+01 volume 0.11603E-02 ppm1 0.887 ppm2 4.901 CV 1 ASSI { 621} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 30 and name HZ )) 2.600 0.800 0.800 peak 621 spectrum 1 weight 0.10000E+01 volume 0.40671E-02 ppm1 1.392 ppm2 7.326 CV 1 OR { 621} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 30 and name HD% ) ASSI { 622} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 30 and name HE% ) 2.500 0.800 0.800 peak 622 spectrum 1 weight 0.10000E+01 volume 0.50281E-02 ppm1 1.392 ppm2 7.209 CV 1 ASSI { 625} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HN )) 2.800 1.000 1.000 peak 625 spectrum 1 weight 0.10000E+01 volume 0.29521E-02 ppm1 1.132 ppm2 7.281 CV 1 ASSI { 626} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 35 and name HE% ) 3.800 1.800 1.800 peak 626 spectrum 1 weight 0.10000E+01 volume 0.17305E-02 ppm1 1.133 ppm2 6.924 CV 1 ASSI { 627} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 74 and name HN )) 3.600 1.600 1.600 peak 627 spectrum 1 weight 0.10000E+01 volume 0.11431E-02 ppm1 1.132 ppm2 7.704 CV 1 ASSI { 632} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HN )) 4.100 2.100 1.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.13072E-02 ppm1 1.048 ppm2 8.091 CV 1 ASSI { 635} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 69 and name HN )) 3.600 1.700 1.700 peak 635 spectrum 1 weight 0.10000E+01 volume 0.91335E-03 ppm1 1.218 ppm2 9.166 CV 1 ASSI { 637} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 5 and name HN )) 4.600 2.600 1.400 peak 637 spectrum 1 weight 0.10000E+01 volume 0.38400E-03 ppm1 0.994 ppm2 9.420 CV 1 ASSI { 638} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 8 and name HN )) 4.000 2.000 2.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.74962E-03 ppm1 1.392 ppm2 8.289 CV 1 ASSI { 646} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 30 and name HE% ) 4.900 3.000 1.100 peak 646 spectrum 1 weight 0.10000E+01 volume 0.33376E-03 ppm1 1.047 ppm2 7.224 CV 1 ASSI { 649} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HN )) 4.100 2.100 1.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.13921E-02 ppm1 0.763 ppm2 8.416 CV 1 ASSI { 650} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HN )) 3.100 1.200 1.200 peak 650 spectrum 1 weight 0.10000E+01 volume 0.14397E-02 ppm1 0.698 ppm2 8.483 CV 1 ASSI { 652} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 35 and name HE% ) 4.400 2.400 1.600 peak 652 spectrum 1 weight 0.10000E+01 volume 0.34507E-03 ppm1 1.048 ppm2 6.924 CV 1 ASSI { 653} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 31 and name HA )) 3.700 1.700 1.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.54996E-03 ppm1 1.390 ppm2 3.296 CV 1 ASSI { 654} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HA )) 2.500 0.800 0.800 peak 654 spectrum 1 weight 0.10000E+01 volume 0.49653E-02 ppm1 1.392 ppm2 3.869 CV 1 ASSI { 655} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HB )) 2.300 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.75333E-02 ppm1 1.392 ppm2 4.317 CV 1 ASSI { 659} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HA )) 2.100 0.600 0.600 peak 659 spectrum 1 weight 0.10000E+01 volume 0.11542E-01 ppm1 1.050 ppm2 4.215 CV 1 ASSI { 660} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HA )) 3.100 3.100 2.900 peak 660 spectrum 1 weight 0.10000E+01 volume 0.93028E-02 ppm1 1.044 ppm2 4.315 CV 1 ASSI { 663} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HA )) 2.200 0.600 0.600 peak 663 spectrum 1 weight 0.10000E+01 volume 0.78035E-02 ppm1 0.889 ppm2 4.374 CV 1 ASSI { 666} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 47 and name HB2 )) 5.000 3.200 1.000 peak 666 spectrum 1 weight 0.10000E+01 volume 0.16986E-03 ppm1 1.056 ppm2 2.191 CV 1 ASSI { 669} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HB1 )) 3.200 1.300 1.300 peak 669 spectrum 1 weight 0.10000E+01 volume 0.34893E-02 ppm1 1.052 ppm2 2.342 CV 1 ASSI { 670} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HB1 )) 3.100 1.200 1.200 peak 670 spectrum 1 weight 0.10000E+01 volume 0.47415E-02 ppm1 1.048 ppm2 2.225 CV 1 ASSI { 671} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HB )) 2.000 0.500 0.500 peak 671 spectrum 1 weight 0.10000E+01 volume 0.11017E-01 ppm1 1.132 ppm2 2.409 CV 1 ASSI { 675} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 55 and name HD2 )) 3.900 1.900 1.900 peak 675 spectrum 1 weight 0.10000E+01 volume 0.93136E-03 ppm1 1.044 ppm2 3.023 CV 1 ASSI { 676} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 42 and name H42B)) 3.300 1.400 1.400 peak 676 spectrum 1 weight 0.10000E+01 volume 0.49925E-03 ppm1 1.068 ppm2 3.454 CV 1 OR { 676} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 42 and name H42A)) ASSI { 678} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HA )) 4.100 2.100 1.900 peak 678 spectrum 1 weight 0.10000E+01 volume 0.84096E-03 ppm1 1.127 ppm2 4.204 CV 1 ASSI { 680} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HA )) 2.300 0.600 0.600 peak 680 spectrum 1 weight 0.10000E+01 volume 0.86470E-02 ppm1 1.120 ppm2 3.911 CV 1 ASSI { 683} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 74 and name HA )) 2.200 0.600 0.600 peak 683 spectrum 1 weight 0.10000E+01 volume 0.89843E-02 ppm1 1.066 ppm2 4.308 CV 1 ASSI { 684} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HN )) 3.900 1.900 1.900 peak 684 spectrum 1 weight 0.10000E+01 volume 0.20801E-02 ppm1 0.961 ppm2 7.220 CV 1 ASSI { 689} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 77 and name HN )) 4.300 2.300 1.700 peak 689 spectrum 1 weight 0.10000E+01 volume 0.30578E-03 ppm1 1.062 ppm2 8.009 CV 1 ASSI { 690} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HN )) 4.300 2.300 1.700 peak 690 spectrum 1 weight 0.10000E+01 volume 0.61043E-03 ppm1 1.121 ppm2 8.410 CV 1 ASSI { 691} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HN )) 2.200 0.600 0.600 peak 691 spectrum 1 weight 0.10000E+01 volume 0.92334E-02 ppm1 1.121 ppm2 8.507 CV 1 ASSI { 694} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 63 and name HN )) 4.500 2.600 1.500 peak 694 spectrum 1 weight 0.10000E+01 volume 0.80216E-03 ppm1 1.029 ppm2 8.612 CV 1 ASSI { 695} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 34 and name HN )) 2.900 1.000 1.000 peak 695 spectrum 1 weight 0.10000E+01 volume 0.24840E-02 ppm1 0.960 ppm2 8.485 CV 1 ASSI { 696} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 24 and name HN )) 2.800 1.000 1.000 peak 696 spectrum 1 weight 0.10000E+01 volume 0.27173E-02 ppm1 1.284 ppm2 8.145 CV 1 ASSI { 698} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 21 and name HN )) 2.800 1.000 1.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.27112E-02 ppm1 1.242 ppm2 8.253 CV 1 ASSI { 699} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 25 and name HN )) 3.400 1.400 1.400 peak 699 spectrum 1 weight 0.10000E+01 volume 0.22650E-02 ppm1 1.285 ppm2 8.612 CV 1 ASSI { 702} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 74 and name HN )) 4.300 2.400 1.700 peak 702 spectrum 1 weight 0.10000E+01 volume 0.81056E-03 ppm1 1.066 ppm2 7.703 CV 1 ASSI { 703} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 57 and name HN )) 4.400 2.400 1.600 peak 703 spectrum 1 weight 0.10000E+01 volume 0.57037E-03 ppm1 0.973 ppm2 7.980 CV 1 ASSI { 704} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 66 and name HN )) 4.900 3.000 1.100 peak 704 spectrum 1 weight 0.10000E+01 volume 0.40342E-03 ppm1 1.029 ppm2 8.011 CV 1 ASSI { 706} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 14 and name HN )) 5.200 3.400 0.800 peak 706 spectrum 1 weight 0.10000E+01 volume 0.39623E-03 ppm1 1.042 ppm2 8.408 CV 1 ASSI { 707} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HN )) 2.600 0.900 0.900 peak 707 spectrum 1 weight 0.10000E+01 volume 0.23457E-02 ppm1 1.783 ppm2 7.220 CV 1 ASSI { 708} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 35 and name HZ )) 3.600 1.600 1.600 peak 708 spectrum 1 weight 0.10000E+01 volume 0.97827E-03 ppm1 2.434 ppm2 6.893 CV 1 ASSI { 709} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 35 and name HZ )) 3.100 1.200 1.200 peak 709 spectrum 1 weight 0.10000E+01 volume 0.11213E-02 ppm1 1.701 ppm2 6.896 CV 1 OR { 709} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 35 and name HE% ) ASSI { 710} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HN )) 2.800 1.000 1.000 peak 710 spectrum 1 weight 0.10000E+01 volume 0.25933E-02 ppm1 2.434 ppm2 7.705 CV 1 ASSI { 711} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HN )) 2.600 0.800 0.800 peak 711 spectrum 1 weight 0.10000E+01 volume 0.21467E-02 ppm1 1.695 ppm2 7.704 CV 1 ASSI { 712} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HN )) 3.300 1.400 1.400 peak 712 spectrum 1 weight 0.10000E+01 volume 0.25470E-02 ppm1 2.225 ppm2 8.419 CV 1 ASSI { 715} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HA )) 2.500 0.800 0.800 peak 715 spectrum 1 weight 0.10000E+01 volume 0.25553E-02 ppm1 1.700 ppm2 4.307 CV 1 ASSI { 716} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HA )) 3.000 1.100 1.100 peak 716 spectrum 1 weight 0.10000E+01 volume 0.20465E-02 ppm1 2.432 ppm2 4.304 CV 1 ASSI { 719} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 75 and name HA )) 4.600 2.700 1.400 peak 719 spectrum 1 weight 0.10000E+01 volume 0.45688E-03 ppm1 1.696 ppm2 3.884 CV 1 ASSI { 720} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HB2 )) 1.700 0.300 0.500 peak 720 spectrum 1 weight 0.10000E+01 volume 0.10990E-01 ppm1 2.433 ppm2 1.694 CV 1 ASSI { 721} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 68 and name HG2%) 4.400 2.400 1.600 peak 721 spectrum 1 weight 0.10000E+01 volume 0.95759E-03 ppm1 2.433 ppm2 1.217 CV 1 ASSI { 724} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 74 and name HD1%) 2.500 0.800 0.800 peak 724 spectrum 1 weight 0.10000E+01 volume 0.39945E-02 ppm1 2.433 ppm2 0.987 CV 1 OR { 724} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HG )) ASSI { 732} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 15 and name HN )) 2.800 1.000 1.000 peak 732 spectrum 1 weight 0.10000E+01 volume 0.14925E-02 ppm1 1.995 ppm2 8.516 CV 1 ASSI { 734} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 78 and name HN )) 2.700 0.900 0.900 peak 734 spectrum 1 weight 0.10000E+01 volume 0.17911E-02 ppm1 1.919 ppm2 8.278 CV 1 ASSI { 736} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HN )) 2.400 0.700 0.700 peak 736 spectrum 1 weight 0.10000E+01 volume 0.30797E-02 ppm1 1.917 ppm2 8.011 CV 1 ASSI { 742} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HN )) 2.300 0.700 0.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.36600E-02 ppm1 1.537 ppm2 8.436 CV 1 ASSI { 743} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 6 and name HN )) 3.700 1.800 1.800 peak 743 spectrum 1 weight 0.10000E+01 volume 0.76731E-03 ppm1 1.596 ppm2 9.001 CV 1 ASSI { 744} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 72 and name HN )) 4.500 2.500 1.500 peak 744 spectrum 1 weight 0.10000E+01 volume 0.64078E-03 ppm1 1.638 ppm2 9.031 CV 1 OR { 744} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 72 and name HE )) ASSI { 749} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 15 and name HN )) 3.800 1.800 1.800 peak 749 spectrum 1 weight 0.10000E+01 volume 0.12995E-02 ppm1 1.424 ppm2 8.516 CV 1 ASSI { 754} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 46 and name HN )) 2.800 0.900 0.900 peak 754 spectrum 1 weight 0.10000E+01 volume 0.11124E-02 ppm1 1.616 ppm2 8.240 CV 1 ASSI { 755} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HN )) 2.600 0.800 0.800 peak 755 spectrum 1 weight 0.10000E+01 volume 0.25819E-02 ppm1 1.569 ppm2 8.083 CV 1 ASSI { 757} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 46 and name HN )) 3.600 1.600 1.600 peak 757 spectrum 1 weight 0.10000E+01 volume 0.15986E-02 ppm1 1.533 ppm2 8.248 CV 1 ASSI { 758} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 30 and name HZ )) 3.400 1.500 1.500 peak 758 spectrum 1 weight 0.10000E+01 volume 0.60246E-03 ppm1 2.346 ppm2 7.342 CV 1 OR { 758} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 30 and name HD% ) ASSI { 761} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 5 and name HN )) 3.700 1.700 1.700 peak 761 spectrum 1 weight 0.10000E+01 volume 0.20028E-02 ppm1 1.483 ppm2 9.420 CV 1 ASSI { 768} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 56 and name HD% ) 4.600 2.600 1.400 peak 768 spectrum 1 weight 0.10000E+01 volume 0.61132E-03 ppm1 1.438 ppm2 7.436 CV 1 ASSI { 771} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 72 and name HN )) 4.400 2.400 1.600 peak 771 spectrum 1 weight 0.10000E+01 volume 0.84964E-03 ppm1 1.018 ppm2 9.029 CV 1 OR { 771} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 72 and name HE )) ASSI { 782} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 53 and name HN )) 3.000 1.100 1.100 peak 782 spectrum 1 weight 0.10000E+01 volume 0.10337E-02 ppm1 1.439 ppm2 8.966 CV 1 ASSI { 784} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 30 and name HD% ) 5.100 3.200 0.900 peak 784 spectrum 1 weight 0.10000E+01 volume 0.35643E-03 ppm1 1.395 ppm2 7.325 CV 1 ASSI { 785} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 79 and name HD21)) 4.800 2.900 1.200 peak 785 spectrum 1 weight 0.10000E+01 volume 0.53185E-03 ppm1 1.481 ppm2 7.329 CV 1 ASSI { 787} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 56 and name HD% ) 3.400 1.400 1.400 peak 787 spectrum 1 weight 0.10000E+01 volume 0.29999E-03 ppm1 2.227 ppm2 7.435 CV 1 ASSI { 788} (( segid " " and resid 26 and name HB2 )) ( segid " " and resid 30 and name HD% ) 4.200 2.200 1.800 peak 788 spectrum 1 weight 0.10000E+01 volume 0.86104E-03 ppm1 1.219 ppm2 7.312 CV 1 OR { 788} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 30 and name HZ )) ASSI { 790} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 44 and name HN )) 3.500 1.600 1.600 peak 790 spectrum 1 weight 0.10000E+01 volume 0.17995E-02 ppm1 1.887 ppm2 8.136 CV 1 ASSI { 792} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HN )) 3.300 1.400 1.400 peak 792 spectrum 1 weight 0.10000E+01 volume 0.33550E-02 ppm1 1.884 ppm2 7.791 CV 1 ASSI { 795} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 11 and name HA )) 3.600 1.700 1.700 peak 795 spectrum 1 weight 0.10000E+01 volume 0.81084E-03 ppm1 1.426 ppm2 3.514 CV 1 ASSI { 804} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HA )) 2.600 0.800 0.800 peak 804 spectrum 1 weight 0.10000E+01 volume 0.34038E-02 ppm1 1.880 ppm2 4.268 CV 1 OR { 804} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HA )) ASSI { 805} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HA )) 2.800 1.000 1.000 peak 805 spectrum 1 weight 0.10000E+01 volume 0.38655E-02 ppm1 1.841 ppm2 4.268 CV 1 ASSI { 806} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HA )) 3.700 1.700 1.700 peak 806 spectrum 1 weight 0.10000E+01 volume 0.55639E-03 ppm1 1.120 ppm2 3.517 CV 1 ASSI { 807} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HD2 )) 4.100 2.100 1.900 peak 807 spectrum 1 weight 0.10000E+01 volume 0.55489E-03 ppm1 1.121 ppm2 3.187 CV 1 OR { 807} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HD1 )) ASSI { 808} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HG1 )) 4.900 2.900 1.100 peak 808 spectrum 1 weight 0.10000E+01 volume 0.49765E-03 ppm1 1.125 ppm2 2.630 CV 1 ASSI { 812} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HA )) 3.200 1.300 1.300 peak 812 spectrum 1 weight 0.10000E+01 volume 0.15423E-02 ppm1 1.640 ppm2 3.294 CV 1 ASSI { 814} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 72 and name HA )) 3.000 1.100 1.100 peak 814 spectrum 1 weight 0.10000E+01 volume 0.10290E-02 ppm1 1.544 ppm2 3.607 CV 1 ASSI { 818} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HA )) 2.800 1.000 1.000 peak 818 spectrum 1 weight 0.10000E+01 volume 0.22533E-02 ppm1 1.596 ppm2 4.526 CV 1 ASSI { 819} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 79 and name HA )) 2.700 0.900 0.900 peak 819 spectrum 1 weight 0.10000E+01 volume 0.99990E-03 ppm1 2.024 ppm2 4.903 CV 1 ASSI { 820} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 79 and name HA )) 4.500 2.500 1.500 peak 820 spectrum 1 weight 0.10000E+01 volume 0.74671E-03 ppm1 1.577 ppm2 4.913 CV 1 ASSI { 821} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HA )) 3.100 1.200 1.200 peak 821 spectrum 1 weight 0.10000E+01 volume 0.18539E-02 ppm1 1.783 ppm2 4.307 CV 1 ASSI { 830} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 49 and name HA )) 2.900 1.100 1.100 peak 830 spectrum 1 weight 0.10000E+01 volume 0.11104E-02 ppm1 1.440 ppm2 3.952 CV 1 ASSI { 832} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 82 and name HA )) 2.800 1.000 1.000 peak 832 spectrum 1 weight 0.10000E+01 volume 0.38717E-02 ppm1 2.024 ppm2 4.221 CV 1 ASSI { 841} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HE )) 3.400 1.500 1.500 peak 841 spectrum 1 weight 0.10000E+01 volume 0.89646E-03 ppm1 1.667 ppm2 9.036 CV 1 OR { 841} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HN )) ASSI { 843} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HN )) 2.700 0.900 0.900 peak 843 spectrum 1 weight 0.10000E+01 volume 0.93995E-03 ppm1 1.516 ppm2 9.033 CV 1 OR { 843} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HE )) ASSI { 845} (( segid " " and resid 26 and name HG )) (( segid " " and resid 26 and name HN )) 3.600 1.600 1.600 peak 845 spectrum 1 weight 0.10000E+01 volume 0.15894E-02 ppm1 1.582 ppm2 8.482 CV 1 ASSI { 847} (( segid " " and resid 5 and name HG )) (( segid " " and resid 5 and name HN )) 3.300 1.400 1.400 peak 847 spectrum 1 weight 0.10000E+01 volume 0.13989E-02 ppm1 1.567 ppm2 9.420 CV 1 ASSI { 849} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 5 and name HN )) 4.700 2.800 1.300 peak 849 spectrum 1 weight 0.10000E+01 volume 0.85503E-03 ppm1 0.956 ppm2 9.421 CV 1 ASSI { 850} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HN )) 4.400 2.400 1.600 peak 850 spectrum 1 weight 0.10000E+01 volume 0.66086E-03 ppm1 0.783 ppm2 9.036 CV 1 OR { 850} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HE )) ASSI { 852} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 83 and name HN )) 4.300 2.300 1.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.56816E-03 ppm1 0.995 ppm2 7.973 CV 1 ASSI { 855} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 23 and name HA1 )) 3.400 1.500 1.500 peak 855 spectrum 1 weight 0.10000E+01 volume 0.79911E-03 ppm1 1.283 ppm2 4.074 CV 1 OR { 855} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 23 and name HA2 )) ASSI { 856} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 23 and name HA1 )) 3.600 1.600 1.600 peak 856 spectrum 1 weight 0.10000E+01 volume 0.84049E-03 ppm1 1.243 ppm2 4.067 CV 1 OR { 856} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 23 and name HA2 )) ASSI { 858} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 24 and name HA )) 2.600 0.900 0.900 peak 858 spectrum 1 weight 0.10000E+01 volume 0.63853E-02 ppm1 1.285 ppm2 4.332 CV 1 ASSI { 859} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 24 and name HB )) 2.200 0.600 0.600 peak 859 spectrum 1 weight 0.10000E+01 volume 0.83359E-02 ppm1 1.284 ppm2 4.227 CV 1 ASSI { 861} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 21 and name HB )) 2.200 0.600 0.600 peak 861 spectrum 1 weight 0.10000E+01 volume 0.96087E-02 ppm1 1.242 ppm2 4.376 CV 1 ASSI { 862} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 39 and name HA1 )) 4.700 2.800 1.300 peak 862 spectrum 1 weight 0.10000E+01 volume 0.41214E-03 ppm1 1.240 ppm2 3.905 CV 1 ASSI { 863} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 22 and name HB2 )) 3.900 1.900 1.900 peak 863 spectrum 1 weight 0.10000E+01 volume 0.64364E-03 ppm1 1.242 ppm2 2.824 CV 1 OR { 863} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 22 and name HB1 )) ASSI { 864} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 38 and name HB )) 3.400 1.400 1.400 peak 864 spectrum 1 weight 0.10000E+01 volume 0.94647E-03 ppm1 1.284 ppm2 2.447 CV 1 ASSI { 868} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 56 and name HB1 )) 3.900 1.900 1.900 peak 868 spectrum 1 weight 0.10000E+01 volume 0.12903E-02 ppm1 0.972 ppm2 3.449 CV 1 ASSI { 869} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 61 and name HD2 )) 3.800 1.800 1.800 peak 869 spectrum 1 weight 0.10000E+01 volume 0.78954E-03 ppm1 0.980 ppm2 3.567 CV 1 ASSI { 870} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 64 and name HA )) 2.400 0.700 0.700 peak 870 spectrum 1 weight 0.10000E+01 volume 0.62436E-02 ppm1 0.978 ppm2 3.808 CV 1 ASSI { 871} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HA )) 2.100 0.600 0.600 peak 871 spectrum 1 weight 0.10000E+01 volume 0.11054E-01 ppm1 0.960 ppm2 4.307 CV 1 ASSI { 873} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 81 and name HA )) 4.700 2.700 1.300 peak 873 spectrum 1 weight 0.10000E+01 volume 0.56056E-03 ppm1 0.974 ppm2 4.462 CV 1 ASSI { 876} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HB )) 1.900 0.500 0.500 peak 876 spectrum 1 weight 0.10000E+01 volume 0.10425E-01 ppm1 0.972 ppm2 2.128 CV 1 ASSI { 877} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 64 and name HB )) 2.100 0.500 0.500 peak 877 spectrum 1 weight 0.10000E+01 volume 0.11865E-01 ppm1 0.979 ppm2 2.206 CV 1 ASSI { 878} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 74 and name HB1 )) 2.800 1.000 1.000 peak 878 spectrum 1 weight 0.10000E+01 volume 0.35050E-02 ppm1 1.066 ppm2 2.428 CV 1 ASSI { 880} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HB )) 2.100 0.500 0.500 peak 880 spectrum 1 weight 0.10000E+01 volume 0.14133E-01 ppm1 1.042 ppm2 2.269 CV 1 ASSI { 881} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HB )) 2.100 0.500 0.500 peak 881 spectrum 1 weight 0.10000E+01 volume 0.13696E-01 ppm1 1.121 ppm2 2.271 CV 1 ASSI { 884} ( segid " " and resid 24 and name HG2%) ( segid " " and resid 40 and name HE% ) 3.900 1.900 1.900 peak 884 spectrum 1 weight 0.10000E+01 volume 0.57806E-03 ppm1 1.285 ppm2 6.736 CV 1 ASSI { 885} ( segid " " and resid 21 and name HG2%) ( segid " " and resid 40 and name HE% ) 3.600 1.700 1.700 peak 885 spectrum 1 weight 0.10000E+01 volume 0.66363E-03 ppm1 1.242 ppm2 6.733 CV 1 ASSI { 886} ( segid " " and resid 24 and name HG2%) ( segid " " and resid 40 and name HD% ) 4.700 2.800 1.300 peak 886 spectrum 1 weight 0.10000E+01 volume 0.41330E-03 ppm1 1.283 ppm2 6.967 CV 1 ASSI { 887} ( segid " " and resid 21 and name HG2%) ( segid " " and resid 40 and name HD% ) 4.200 2.200 1.800 peak 887 spectrum 1 weight 0.10000E+01 volume 0.33064E-03 ppm1 1.242 ppm2 6.968 CV 1 ASSI { 892} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 35 and name HZ )) 3.600 1.600 1.600 peak 892 spectrum 1 weight 0.10000E+01 volume 0.62469E-03 ppm1 1.129 ppm2 6.897 CV 1 OR { 892} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 35 and name HE% ) ASSI { 894} (( segid " " and resid 38 and name HG12)) ( segid " " and resid 40 and name HD% ) 4.400 2.400 1.600 peak 894 spectrum 1 weight 0.10000E+01 volume 0.98020E-03 ppm1 1.546 ppm2 6.964 CV 1 ASSI { 895} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 30 and name HZ )) 3.500 1.500 1.500 peak 895 spectrum 1 weight 0.10000E+01 volume 0.11145E-02 ppm1 1.397 ppm2 7.314 CV 1 OR { 895} (( segid " " and resid 11 and name HG1 )) ( segid " " and resid 30 and name HD% ) ASSI { 896} (( segid " " and resid 11 and name HG1 )) ( segid " " and resid 30 and name HE% ) 3.700 1.700 1.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.51168E-03 ppm1 1.395 ppm2 7.201 CV 1 ASSI { 902} (( segid " " and resid 38 and name HG12)) ( segid " " and resid 35 and name HD% ) 4.400 2.500 1.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.48320E-03 ppm1 1.555 ppm2 7.122 CV 1 ASSI { 903} (( segid " " and resid 75 and name HG )) (( segid " " and resid 79 and name HD21)) 4.600 2.700 1.400 peak 903 spectrum 1 weight 0.10000E+01 volume 0.68207E-03 ppm1 1.695 ppm2 7.329 CV 1 ASSI { 912} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HA )) 3.100 1.200 1.200 peak 912 spectrum 1 weight 0.10000E+01 volume 0.22392E-02 ppm1 1.708 ppm2 4.374 CV 1 ASSI { 914} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HN )) 4.200 2.200 1.800 peak 914 spectrum 1 weight 0.10000E+01 volume 0.80226E-03 ppm1 1.685 ppm2 7.992 CV 1 ASSI { 918} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 49 and name HN )) 3.400 1.500 1.500 peak 918 spectrum 1 weight 0.10000E+01 volume 0.18587E-02 ppm1 1.124 ppm2 8.734 CV 1 ASSI { 922} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 72 and name HN )) 4.800 2.900 1.200 peak 922 spectrum 1 weight 0.10000E+01 volume 0.47481E-03 ppm1 1.079 ppm2 9.018 CV 1 OR { 922} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 72 and name HE )) ASSI { 925} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 19 and name HN )) 2.600 0.800 0.800 peak 925 spectrum 1 weight 0.10000E+01 volume 0.31625E-02 ppm1 1.540 ppm2 8.251 CV 1 ASSI { 926} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 18 and name HN )) 2.300 0.700 0.700 peak 926 spectrum 1 weight 0.10000E+01 volume 0.10197E-01 ppm1 1.543 ppm2 7.813 CV 1 ASSI { 927} ( segid " " and resid 86 and name HB% ) (( segid " " and resid 86 and name HN )) 3.000 1.100 1.100 peak 927 spectrum 1 weight 0.10000E+01 volume 0.26419E-02 ppm1 1.488 ppm2 7.947 CV 1 ASSI { 928} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 40 and name HE% ) 3.100 1.200 1.200 peak 928 spectrum 1 weight 0.10000E+01 volume 0.56253E-03 ppm1 1.123 ppm2 6.736 CV 1 ASSI { 929} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 35 and name HE% ) 2.500 0.800 0.800 peak 929 spectrum 1 weight 0.10000E+01 volume 0.41784E-02 ppm1 1.221 ppm2 6.922 CV 1 ASSI { 930} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 35 and name HD% ) 3.100 1.200 1.200 peak 930 spectrum 1 weight 0.10000E+01 volume 0.13221E-02 ppm1 1.222 ppm2 7.122 CV 1 ASSI { 934} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HN )) 3.900 1.900 1.900 peak 934 spectrum 1 weight 0.10000E+01 volume 0.82684E-03 ppm1 1.221 ppm2 7.703 CV 1 ASSI { 938} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 17 and name HB1 )) 4.300 2.300 1.700 peak 938 spectrum 1 weight 0.10000E+01 volume 0.53115E-03 ppm1 1.129 ppm2 4.156 CV 1 ASSI { 939} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 17 and name HB2 )) 3.500 1.600 1.600 peak 939 spectrum 1 weight 0.10000E+01 volume 0.74038E-03 ppm1 1.127 ppm2 4.068 CV 1 ASSI { 945} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HA )) 3.200 1.300 1.300 peak 945 spectrum 1 weight 0.10000E+01 volume 0.29053E-02 ppm1 1.221 ppm2 4.462 CV 1 ASSI { 946} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HA )) 3.300 1.300 1.300 peak 946 spectrum 1 weight 0.10000E+01 volume 0.23389E-02 ppm1 1.220 ppm2 4.307 CV 1 ASSI { 947} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HA )) 2.400 0.700 0.700 peak 947 spectrum 1 weight 0.10000E+01 volume 0.48799E-02 ppm1 1.065 ppm2 4.659 CV 1 ASSI { 948} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 58 and name HA )) 2.700 0.900 0.900 peak 948 spectrum 1 weight 0.10000E+01 volume 0.25281E-02 ppm1 0.925 ppm2 4.669 CV 1 ASSI { 949} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HA )) 2.800 1.000 1.000 peak 949 spectrum 1 weight 0.10000E+01 volume 0.51022E-02 ppm1 0.926 ppm2 4.104 CV 1 ASSI { 950} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 82 and name HA )) 3.100 1.200 1.200 peak 950 spectrum 1 weight 0.10000E+01 volume 0.12422E-02 ppm1 0.925 ppm2 4.204 CV 1 ASSI { 951} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 78 and name HA )) 2.800 1.000 1.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.17525E-02 ppm1 0.925 ppm2 3.747 CV 1 ASSI { 953} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 56 and name HB1 )) 3.200 1.300 1.300 peak 953 spectrum 1 weight 0.10000E+01 volume 0.14246E-02 ppm1 0.925 ppm2 3.450 CV 1 ASSI { 954} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 59 and name HA )) 4.800 2.900 1.200 peak 954 spectrum 1 weight 0.10000E+01 volume 0.40263E-03 ppm1 0.926 ppm2 4.853 CV 1 ASSI { 956} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 40 and name HD% ) 4.900 3.000 1.100 peak 956 spectrum 1 weight 0.10000E+01 volume 0.79264E-03 ppm1 1.064 ppm2 6.967 CV 1 ASSI { 958} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 37 and name HN )) 3.200 1.300 1.300 peak 958 spectrum 1 weight 0.10000E+01 volume 0.44000E-03 ppm1 1.067 ppm2 7.530 CV 1 ASSI { 961} ( segid " " and resid 58 and name HG1%) ( segid " " and resid 56 and name HD% ) 4.300 2.300 1.700 peak 961 spectrum 1 weight 0.10000E+01 volume 0.56722E-03 ppm1 0.923 ppm2 7.411 CV 1 ASSI { 963} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 82 and name HN )) 3.200 1.300 1.300 peak 963 spectrum 1 weight 0.10000E+01 volume 0.65439E-03 ppm1 0.925 ppm2 8.286 CV 1 ASSI { 964} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 57 and name HN )) 4.200 2.200 1.800 peak 964 spectrum 1 weight 0.10000E+01 volume 0.48785E-03 ppm1 0.927 ppm2 7.981 CV 1 ASSI { 965} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 59 and name HN )) 3.900 1.900 1.900 peak 965 spectrum 1 weight 0.10000E+01 volume 0.17557E-02 ppm1 0.925 ppm2 8.485 CV 1 ASSI { 967} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HN )) 4.900 3.000 1.100 peak 967 spectrum 1 weight 0.10000E+01 volume 0.33250E-03 ppm1 0.925 ppm2 8.960 CV 1 ASSI { 968} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 35 and name HE% ) 4.100 2.100 1.900 peak 968 spectrum 1 weight 0.10000E+01 volume 0.53293E-03 ppm1 1.122 ppm2 6.952 CV 1 ASSI { 969} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 35 and name HA )) 3.900 1.900 1.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.14825E-02 ppm1 1.066 ppm2 4.374 CV 1 ASSI { 970} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 24 and name HB )) 3.200 1.300 1.300 peak 970 spectrum 1 weight 0.10000E+01 volume 0.67733E-03 ppm1 1.067 ppm2 4.234 CV 1 ASSI { 971} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HD2 )) 2.700 0.900 0.900 peak 971 spectrum 1 weight 0.10000E+01 volume 0.43415E-02 ppm1 1.025 ppm2 3.565 CV 1 ASSI { 972} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HD1 )) 3.100 1.200 1.200 peak 972 spectrum 1 weight 0.10000E+01 volume 0.35452E-02 ppm1 1.026 ppm2 4.001 CV 1 ASSI { 975} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 77 and name HA )) 4.100 2.100 1.900 peak 975 spectrum 1 weight 0.10000E+01 volume 0.54635E-03 ppm1 1.023 ppm2 4.271 CV 1 ASSI { 976} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HA )) 2.500 0.800 0.800 peak 976 spectrum 1 weight 0.10000E+01 volume 0.41022E-02 ppm1 1.026 ppm2 4.652 CV 1 ASSI { 977} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HA )) 4.800 2.800 1.200 peak 977 spectrum 1 weight 0.10000E+01 volume 0.36655E-03 ppm1 1.026 ppm2 4.536 CV 1 ASSI { 979} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HA )) 3.500 1.500 1.500 peak 979 spectrum 1 weight 0.10000E+01 volume 0.66945E-03 ppm1 0.876 ppm2 4.901 CV 1 ASSI { 980} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 64 and name HN )) 4.500 2.500 1.500 peak 980 spectrum 1 weight 0.10000E+01 volume 0.63112E-03 ppm1 1.027 ppm2 7.401 CV 1 ASSI { 981} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 56 and name HD% ) 3.200 1.300 1.300 peak 981 spectrum 1 weight 0.10000E+01 volume 0.78368E-03 ppm1 0.876 ppm2 7.439 CV 1 ASSI { 982} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HN )) 3.300 1.400 1.400 peak 982 spectrum 1 weight 0.10000E+01 volume 0.15114E-02 ppm1 0.875 ppm2 8.881 CV 1 ASSI { 983} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 5 and name HN )) 4.300 2.300 1.700 peak 983 spectrum 1 weight 0.10000E+01 volume 0.58636E-03 ppm1 0.873 ppm2 9.421 CV 1 ASSI { 987} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 56 and name HB1 )) 4.100 2.100 1.900 peak 987 spectrum 1 weight 0.10000E+01 volume 0.29937E-03 ppm1 0.877 ppm2 3.450 CV 1 ASSI { 988} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 75 and name HA )) 4.200 2.200 1.800 peak 988 spectrum 1 weight 0.10000E+01 volume 0.77040E-03 ppm1 0.871 ppm2 3.903 CV 1 ASSI { 989} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 82 and name HA )) 5.600 3.900 0.400 peak 989 spectrum 1 weight 0.10000E+01 volume 0.28504E-03 ppm1 0.878 ppm2 4.201 CV 1 ASSI { 990} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 53 and name HA )) 4.800 2.900 1.200 peak 990 spectrum 1 weight 0.10000E+01 volume 0.31658E-03 ppm1 0.879 ppm2 4.107 CV 1 ASSI { 991} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HB )) 2.100 0.500 0.500 peak 991 spectrum 1 weight 0.10000E+01 volume 0.75755E-02 ppm1 0.874 ppm2 1.937 CV 1 ASSI { 994} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 62 and name HA )) 2.800 1.000 1.000 peak 994 spectrum 1 weight 0.10000E+01 volume 0.24546E-02 ppm1 1.394 ppm2 4.444 CV 1 ASSI { 995} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 65 and name HA )) 2.100 0.600 0.600 peak 995 spectrum 1 weight 0.10000E+01 volume 0.10483E-01 ppm1 1.396 ppm2 3.986 CV 1 ASSI { 966} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 34 and name HN )) 3.000 1.100 1.100 peak 966 spectrum 1 weight 0.10000E+01 volume 0.63215E-03 ppm1 1.067 ppm2 8.483 CV 1 ASSI { 998} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 66 and name HA1 )) 4.100 2.100 1.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.63370E-03 ppm1 1.388 ppm2 4.152 CV 1 ASSI { 1000} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 46 and name HA )) 3.000 1.100 1.100 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.23137E-02 ppm1 1.396 ppm2 4.267 CV 1 ASSI { 1001} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HN )) 2.400 0.700 0.700 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.63192E-02 ppm1 1.224 ppm2 7.282 CV 1 ASSI { 1002} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 65 and name HN )) 2.100 0.600 0.600 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.10088E-01 ppm1 1.395 ppm2 8.248 CV 1 ASSI { 1003} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 66 and name HN )) 2.900 1.000 1.000 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.35968E-02 ppm1 1.395 ppm2 8.020 CV 1 ASSI { 1005} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 45 and name HN )) 2.600 0.800 0.800 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.41419E-02 ppm1 1.519 ppm2 8.433 CV 1 ASSI { 1008} ( segid " " and resid 18 and name HB% ) ( segid " " and resid 40 and name HD% ) 3.700 1.700 1.700 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.13597E-02 ppm1 1.541 ppm2 6.966 CV 1 ASSI { 1009} ( segid " " and resid 44 and name HB% ) ( segid " " and resid 40 and name HD% ) 2.500 0.800 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.32714E-02 ppm1 1.519 ppm2 6.966 CV 1 ASSI { 1010} ( segid " " and resid 18 and name HB% ) ( segid " " and resid 40 and name HE% ) 2.800 1.000 1.000 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.28106E-02 ppm1 1.541 ppm2 6.735 CV 1 ASSI { 1011} ( segid " " and resid 44 and name HB% ) ( segid " " and resid 40 and name HE% ) 3.000 1.200 1.200 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.17215E-02 ppm1 1.520 ppm2 6.735 CV 1 ASSI { 1013} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 15 and name HA )) 2.600 0.900 0.900 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.32702E-02 ppm1 1.541 ppm2 3.911 CV 1 ASSI { 1014} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 19 and name HA2 )) 4.000 2.000 2.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.17038E-02 ppm1 1.539 ppm2 4.069 CV 1 OR { 1014} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 19 and name HA1 )) ASSI { 1015} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HB )) 2.300 0.600 0.600 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.57905E-02 ppm1 1.063 ppm2 2.450 CV 1 ASSI { 1019} ( segid " " and resid 65 and name HB%) (( segid " " and resid 46 and name HG1 )) 3.500 1.500 1.500 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.57905E-02 ppm1 1.063 ppm2 2.450 CV 1 ASSI { 1021} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 40 and name HB1 )) 3.900 1.900 1.900 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.46119E-03 ppm1 1.522 ppm2 2.993 CV 1 ASSI { 1023} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 62 and name HB1 )) 3.300 1.400 1.400 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.85473E-03 ppm1 1.393 ppm2 2.829 CV 1 ASSI { 1024} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 44 and name HA )) 2.200 0.600 0.600 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.11541E-01 ppm1 1.518 ppm2 4.313 CV 1 ASSI { 1025} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 40 and name HA )) 3.000 1.100 1.100 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.26440E-02 ppm1 1.520 ppm2 4.579 CV 1 ASSI { 1027} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 45 and name HA )) 3.700 1.700 1.700 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.70702E-03 ppm1 1.527 ppm2 3.884 CV 1 ASSI { 1028} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 17 and name HB2 )) 3.800 1.800 1.800 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.71462E-03 ppm1 1.525 ppm2 4.044 CV 1 ASSI { 1031} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HA )) 2.700 0.900 0.900 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.20692E-02 ppm1 1.447 ppm2 4.357 CV 1 ASSI { 1032} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HA )) 3.000 1.100 1.100 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.12771E-02 ppm1 1.796 ppm2 4.653 CV 1 ASSI { 1033} (( segid " " and resid 60 and name HB )) (( segid " " and resid 61 and name HD1 )) 4.000 2.000 2.000 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.81647E-03 ppm1 1.798 ppm2 4.004 CV 1 ASSI { 1034} (( segid " " and resid 60 and name HB )) (( segid " " and resid 61 and name HD2 )) 3.800 1.100 1.100 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.10559E-02 ppm1 1.797 ppm2 3.566 CV 1 ASSI { 1040} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 65 and name HA )) 2.600 0.900 0.900 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.30921E-02 ppm1 0.964 ppm2 3.992 CV 1 ASSI { 1042} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 4 and name HA )) 4.000 2.000 2.000 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.19055E-02 ppm1 0.955 ppm2 4.373 CV 1 ASSI { 1044} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 79 and name HA )) 5.800 4.300 0.200 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.16655E-03 ppm1 0.954 ppm2 4.895 CV 1 ASSI { 1047} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HA )) 2.600 0.800 0.800 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.19178E-02 ppm1 2.223 ppm2 4.313 CV 1 ASSI { 1049} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HA )) 3.200 1.300 1.300 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.18144E-02 ppm1 2.347 ppm2 4.214 CV 1 ASSI { 1054} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 11 and name HA )) 3.000 1.100 1.100 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.99240E-03 ppm1 1.993 ppm2 3.513 CV 1 ASSI { 1055} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HB1 )) 1.800 0.400 0.400 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.15361E-01 ppm1 2.363 ppm2 3.027 CV 1 ASSI { 1056} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HB1 )) 1.800 0.400 0.400 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.11241E-01 ppm1 2.701 ppm2 3.034 CV 1 ASSI { 1058} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HD1 )) 1.800 0.400 0.400 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.96354E-02 ppm1 3.015 ppm2 3.494 CV 1 ASSI { 1063} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HB1 )) 1.700 0.400 0.500 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.13005E-01 ppm1 2.846 ppm2 3.277 CV 1 ASSI { 1064} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HA )) 4.500 2.600 1.500 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.78603E-03 ppm1 3.015 ppm2 3.605 CV 1 ASSI { 1067} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HA )) 2.700 0.900 0.900 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.28736E-02 ppm1 3.283 ppm2 4.736 CV 1 ASSI { 1069} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 37 and name HA )) 3.300 1.300 1.300 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.12467E-02 ppm1 3.094 ppm2 4.811 CV 1 ASSI { 1070} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HA )) 3.200 1.300 1.300 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.14599E-02 ppm1 3.001 ppm2 4.811 CV 1 ASSI { 1071} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HA )) 3.100 1.200 1.200 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.28799E-02 ppm1 2.845 ppm2 4.735 CV 1 ASSI { 1073} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HH11)) 2.800 1.000 1.000 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.26458E-02 ppm1 3.502 ppm2 6.909 CV 1 OR { 1073} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HH12)) OR { 1073} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HH22)) ASSI { 1074} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HH11)) 2.900 1.000 1.000 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.18992E-02 ppm1 3.017 ppm2 6.913 CV 1 OR { 1074} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HH12)) OR { 1074} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HH22)) ASSI { 1077} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 33 and name HN )) 4.200 2.200 1.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.47152E-03 ppm1 3.036 ppm2 7.213 CV 1 ASSI { 1097} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HN )) 2.800 1.000 1.000 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.34916E-02 ppm1 2.761 ppm2 8.612 CV 1 ASSI { 1098} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HN )) 2.600 0.900 0.900 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.57088E-02 ppm1 2.835 ppm2 8.499 CV 1 ASSI { 1099} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 26 and name HN )) 3.600 1.600 1.600 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.10736E-02 ppm1 2.773 ppm2 8.490 CV 1 ASSI { 1102} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HN )) 3.300 1.300 1.300 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.21101E-02 ppm1 2.752 ppm2 8.822 CV 1 ASSI { 1105} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 35 and name HD% ) 3.300 1.400 1.400 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.14873E-02 ppm1 2.793 ppm2 7.120 CV 1 ASSI { 1106} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 40 and name HD% ) 2.700 0.900 0.900 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.27981E-02 ppm1 2.795 ppm2 6.966 CV 1 ASSI { 1107} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 35 and name HD% ) 3.600 1.600 1.600 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.16012E-02 ppm1 3.008 ppm2 7.120 CV 1 ASSI { 1108} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 40 and name HD% ) 2.500 0.800 0.800 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.25323E-02 ppm1 3.005 ppm2 6.965 CV 1 ASSI { 1109} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 30 and name HD% ) 2.500 0.800 0.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.30294E-02 ppm1 3.014 ppm2 7.314 CV 1 ASSI { 1111} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 30 and name HD% ) 2.600 0.800 0.800 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.32748E-02 ppm1 3.293 ppm2 7.313 CV 1 ASSI { 1114} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 40 and name HE% ) 4.700 2.800 1.300 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.43812E-03 ppm1 3.006 ppm2 6.742 CV 1 ASSI { 1115} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 40 and name HE% ) 4.800 2.800 1.200 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.40236E-03 ppm1 2.800 ppm2 6.738 CV 1 ASSI { 1117} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 5 and name HD2%) 3.200 1.300 1.300 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.18139E-02 ppm1 3.041 ppm2 0.650 CV 1 OR { 1117} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 5 and name HD1%) ASSI { 1118} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 5 and name HD2%) 2.800 1.000 1.000 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.22935E-02 ppm1 2.700 ppm2 0.650 CV 1 OR { 1118} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 5 and name HD1%) ASSI { 1130} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 35 and name HB1 )) 2.600 0.900 0.900 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.13085E-02 ppm1 2.796 ppm2 3.604 CV 1 ASSI { 1132} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HB1 )) 1.700 0.400 0.500 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.95754E-02 ppm1 3.014 ppm2 3.290 CV 1 ASSI { 1136} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 26 and name HA )) 3.000 1.100 1.100 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.80427E-03 ppm1 3.294 ppm2 4.359 CV 1 ASSI { 1138} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HA )) 2.800 1.000 1.000 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.31828E-02 ppm1 2.749 ppm2 4.444 CV 1 ASSI { 1140} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 73 and name HA )) 3.000 1.100 1.100 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.20900E-02 ppm1 2.720 ppm2 4.238 CV 1 ASSI { 1141} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HA )) 3.000 1.100 1.100 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.12753E-02 ppm1 3.004 ppm2 4.579 CV 1 ASSI { 1144} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 25 and name HA )) 3.000 1.100 1.100 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.23588E-02 ppm1 2.886 ppm2 4.714 CV 1 ASSI { 1147} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 21 and name HA )) 4.100 2.100 1.900 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.99324E-03 ppm1 2.827 ppm2 4.537 CV 1 OR { 1147} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 21 and name HA )) ASSI { 1158} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 45 and name HD1%) 5.000 3.100 1.000 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.73527E-03 ppm1 2.795 ppm2 0.194 CV 1 ASSI { 1160} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HG1 )) 2.500 0.800 0.800 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.41577E-02 ppm1 3.016 ppm2 1.645 CV 1 OR { 1160} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HB2 )) ASSI { 1161} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HG2 )) 2.600 0.800 0.800 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.23918E-02 ppm1 3.015 ppm2 1.513 CV 1 ASSI { 1162} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HG1 )) 2.500 0.800 0.800 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.36755E-02 ppm1 3.501 ppm2 1.649 CV 1 OR { 1162} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HB2 )) ASSI { 1163} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HG2 )) 2.600 0.800 0.800 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.22267E-02 ppm1 3.501 ppm2 1.511 CV 1 ASSI { 1178} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HB2 )) 1.700 0.400 0.500 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.88037E-02 ppm1 2.346 ppm2 1.567 CV 1 ASSI { 1179} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HB2 )) 1.800 0.400 0.400 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.89505E-02 ppm1 2.198 ppm2 1.541 CV 1 ASSI { 1180} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HG )) 2.700 0.900 0.900 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.22804E-02 ppm1 2.347 ppm2 1.889 CV 1 ASSI { 1182} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HB1 )) 3.300 1.300 1.300 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.13142E-02 ppm1 3.096 ppm2 1.889 CV 1 ASSI { 1183} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HB2 )) 3.300 1.300 1.300 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.15068E-02 ppm1 3.096 ppm2 1.607 CV 1 ASSI { 1184} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HG1 )) 2.700 0.900 0.900 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.27798E-02 ppm1 3.096 ppm2 1.347 CV 1 ASSI { 1185} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HG1 )) 2.700 0.900 0.900 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.25189E-02 ppm1 3.015 ppm2 1.346 CV 1 ASSI { 1186} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HG2 )) 2.600 0.800 0.800 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.33497E-02 ppm1 3.095 ppm2 0.966 CV 1 ASSI { 1194} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HB1 )) 2.700 0.900 0.900 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.35773E-02 ppm1 3.245 ppm2 2.059 CV 1 OR { 1194} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HB1 )) ASSI { 1195} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 11 and name HB2 )) 2.700 0.900 0.900 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.26289E-02 ppm1 3.176 ppm2 2.044 CV 1 OR { 1195} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 11 and name HB1 )) OR { 1195} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HB2 )) OR { 1195} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HB1 )) ASSI { 1196} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HB1 )) 3.000 1.100 1.100 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.20408E-02 ppm1 3.302 ppm2 2.185 CV 1 ASSI { 1198} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HB1 )) 3.100 1.200 1.200 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.15342E-02 ppm1 3.344 ppm2 2.166 CV 1 ASSI { 1200} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HB2 )) 3.200 1.300 1.300 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.20548E-02 ppm1 3.450 ppm2 1.861 CV 1 ASSI { 1202} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HB1 )) 3.400 1.500 1.500 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.95486E-03 ppm1 3.501 ppm2 1.855 CV 1 ASSI { 1203} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HG2 )) 2.600 0.900 0.900 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.33936E-02 ppm1 3.443 ppm2 1.734 CV 1 ASSI { 1204} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HG2 )) 2.400 0.700 0.700 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.32741E-02 ppm1 3.451 ppm2 1.621 CV 1 ASSI { 1205} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HG2 )) 2.400 0.700 0.700 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.40706E-02 ppm1 3.375 ppm2 1.683 CV 1 ASSI { 1207} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HG2 )) 3.000 1.100 1.100 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.33688E-02 ppm1 3.349 ppm2 1.631 CV 1 ASSI { 1208} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HB2 )) 2.800 1.000 1.000 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.24840E-02 ppm1 3.276 ppm2 1.854 CV 1 OR { 1208} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HB2 )) ASSI { 1211} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HB1 )) 3.000 1.100 1.100 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.30560E-02 ppm1 3.374 ppm2 2.028 CV 1 OR { 1211} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HB2 )) ASSI { 1214} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HG1 )) 2.600 0.900 0.900 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.47964E-02 ppm1 3.446 ppm2 2.021 CV 1 OR { 1214} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HB2 )) ASSI { 1215} (( segid " " and resid 69 and name HB1 )) ( segid " " and resid 70 and name HG2%) 3.200 1.300 1.300 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.14638E-02 ppm1 3.013 ppm2 1.074 CV 1 ASSI { 1216} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 70 and name HG2%) 3.200 1.300 1.300 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.14638E-02 ppm1 3.013 ppm2 1.074 CV 1 ASSI { 1218} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HA )) 3.800 1.800 1.800 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.84424E-03 ppm1 3.096 ppm2 4.100 CV 1 ASSI { 1218} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HA )) 3.800 1.800 1.800 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.84424E-03 ppm1 3.096 ppm2 4.100 CV 1 ASSI { 1220} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 69 and name HA )) 2.800 0.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.84424E-03 ppm1 3.096 ppm2 4.100 CV 1 ASSI { 1221} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HA )) 2.800 0.800 0.800 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.84424E-03 ppm1 3.096 ppm2 4.100 CV 1 ASSI { 1222} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HA )) 4.600 2.600 1.400 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.73606E-03 ppm1 3.254 ppm2 4.620 CV 1 OR { 1222} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HA )) ASSI { 1224} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 74 and name HB1 )) 3.200 1.200 1.200 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.13166E-02 ppm1 1.131 ppm2 2.424 CV 1 ASSI { 1225} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HB1 )) 2.300 0.700 0.700 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.44585E-02 ppm1 1.131 ppm2 2.346 CV 1 ASSI { 1227} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HG )) 2.100 0.600 0.600 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.92827E-02 ppm1 1.130 ppm2 1.890 CV 1 ASSI { 1228} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HB2 )) 2.500 0.800 0.800 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.36021E-02 ppm1 1.399 ppm2 2.044 CV 1 OR { 1228} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HB1 )) ASSI { 1229} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HB )) 2.500 0.800 0.800 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.20460E-02 ppm1 1.827 ppm2 2.452 CV 1 ASSI { 1230} (( segid " " and resid 75 and name HG )) (( segid " " and resid 74 and name HB1 )) 3.300 3.300 2.700 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.39011E-02 ppm1 1.705 ppm2 2.430 CV 1 ASSI { 1231} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HA )) 2.900 1.000 1.000 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.15416E-02 ppm1 1.401 ppm2 3.514 CV 1 ASSI { 1232} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 12 and name HN )) 4.600 2.600 1.400 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.40360E-03 ppm1 1.396 ppm2 7.992 CV 1 ASSI { 1234} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HN )) 4.800 2.900 1.200 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.37883E-03 ppm1 1.396 ppm2 8.845 CV 1 ASSI { 1235} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HD2 )) 3.000 1.100 1.100 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.14308E-02 ppm1 1.665 ppm2 3.015 CV 1 ASSI { 1240} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HD1 )) 3.100 1.200 1.200 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.26799E-02 ppm1 1.951 ppm2 3.445 CV 1 ASSI { 1241} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HD2 )) 3.000 1.100 1.100 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.20893E-02 ppm1 1.735 ppm2 3.299 CV 1 ASSI { 1242} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HD1 )) 2.400 0.700 0.700 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.42587E-02 ppm1 1.688 ppm2 3.351 CV 1 OR { 1242} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HD2 )) ASSI { 1243} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HD2 )) 2.500 0.800 0.800 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.49887E-02 ppm1 1.756 ppm2 3.258 CV 1 OR { 1243} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HD1 )) OR { 1243} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HD2 )) OR { 1243} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HD1 )) ASSI { 1244} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HB1 )) 2.800 1.000 1.000 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.22382E-02 ppm1 1.741 ppm2 2.190 CV 1 ASSI { 1246} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 64 and name HA )) 3.600 1.600 1.600 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.10299E-02 ppm1 1.758 ppm2 3.807 CV 1 OR { 1246} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 64 and name HA )) ASSI { 1248} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HD1 )) 2.800 1.000 1.000 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.15115E-02 ppm1 1.663 ppm2 3.494 CV 1 ASSI { 1250} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HA )) 3.600 1.600 1.600 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.15401E-02 ppm1 1.511 ppm2 3.605 CV 1 ASSI { 1253} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HD2 )) 2.400 0.700 0.700 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.43124E-02 ppm1 2.136 ppm2 3.564 CV 1 OR { 1253} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 61 and name HD2 )) ASSI { 1254} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 61 and name HD1 )) 2.400 0.700 0.700 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.41729E-02 ppm1 2.138 ppm2 4.008 CV 1 OR { 1254} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HD1 )) ASSI { 1255} (( segid " " and resid 52 and name HG )) (( segid " " and resid 52 and name HA )) 3.300 1.400 1.400 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.11337E-02 ppm1 2.054 ppm2 4.314 CV 1 ASSI { 1257} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 31 and name HA )) 4.300 2.300 1.700 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.11424E-02 ppm1 2.207 ppm2 3.294 CV 1 ASSI { 1258} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 60 and name HA )) 4.800 2.900 1.200 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.81760E-03 ppm1 2.141 ppm2 4.654 CV 1 OR { 1258} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 60 and name HA )) ASSI { 1261} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HA )) 3.300 1.400 1.400 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.16770E-02 ppm1 1.974 ppm2 4.239 CV 1 ASSI { 1264} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HA )) 2.800 0.800 0.800 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.10299E-02 ppm1 1.758 ppm2 3.807 CV 1 OR { 1264} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HA )) ASSI { 1267} (( segid " " and resid 60 and name HG11)) (( segid " " and resid 60 and name HA )) 3.500 1.600 1.600 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.10551E-02 ppm1 1.496 ppm2 4.652 CV 1 ASSI { 1268} (( segid " " and resid 5 and name HG )) (( segid " " and resid 5 and name HA )) 3.200 1.300 1.300 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.12038E-02 ppm1 1.571 ppm2 4.520 CV 1 ASSI { 1269} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 35 and name HA )) 2.200 0.600 0.600 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.24714E-02 ppm1 1.558 ppm2 4.383 CV 1 ASSI { 1270} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HA )) 3.000 1.200 1.200 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.20434E-02 ppm1 1.743 ppm2 4.239 CV 1 ASSI { 1272} (( segid " " and resid 82 and name HG )) (( segid " " and resid 82 and name HA )) 3.000 1.200 1.200 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.26855E-02 ppm1 1.849 ppm2 4.217 CV 1 ASSI { 1277} (( segid " " and resid 52 and name HG )) (( segid " " and resid 52 and name HN )) 2.400 0.700 0.700 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.25796E-02 ppm1 2.053 ppm2 8.418 CV 1 ASSI { 1278} (( segid " " and resid 55 and name HG2 )) ( segid " " and resid 56 and name HD% ) 3.800 1.800 1.800 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.37926E-03 ppm1 0.976 ppm2 7.436 CV 1 ASSI { 1279} (( segid " " and resid 75 and name HG )) (( segid " " and resid 79 and name HD22)) 3.800 1.800 1.800 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.90181E-03 ppm1 1.687 ppm2 7.669 CV 1 ASSI { 1281} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HN )) 2.900 2.900 3.100 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.74864E-03 ppm1 1.757 ppm2 7.406 CV 1 OR { 1281} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HN )) ASSI { 1282} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 64 and name HN )) 2.900 2.900 3.100 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.74864E-03 ppm1 1.757 ppm2 7.406 CV 1 OR { 1282} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 64 and name HN )) ASSI { 1283} (( segid " " and resid 33 and name HG )) (( segid " " and resid 33 and name HN )) 3.700 1.700 1.700 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.21244E-02 ppm1 1.785 ppm2 7.219 CV 1 ASSI { 1286} (( segid " " and resid 82 and name HG )) (( segid " " and resid 82 and name HN )) 3.000 1.200 1.200 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.26855E-02 ppm1 1.849 ppm2 4.217 CV 1 ASSI { 1289} (( segid " " and resid 38 and name HG11)) ( segid " " and resid 40 and name HD% ) 2.300 0.700 0.700 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.17325E-02 ppm1 1.825 ppm2 6.966 CV 1 ASSI { 1290} (( segid " " and resid 38 and name HG11)) ( segid " " and resid 35 and name HD% ) 4.000 2.000 2.000 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.66654E-03 ppm1 1.824 ppm2 7.126 CV 1 ASSI { 1291} (( segid " " and resid 38 and name HG11)) ( segid " " and resid 40 and name HE% ) 4.100 2.100 1.900 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.43760E-03 ppm1 1.825 ppm2 6.737 CV 1 ASSI { 1292} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 35 and name HZ )) 3.200 1.300 1.300 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.91846E-03 ppm1 2.204 ppm2 6.912 CV 1 OR { 1292} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 35 and name HE% ) ASSI { 1293} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 30 and name HD% ) 2.900 1.000 1.000 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.20011E-02 ppm1 2.205 ppm2 7.314 CV 1 ASSI { 1295} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 64 and name HN )) 4.500 2.500 1.500 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.62816E-03 ppm1 2.135 ppm2 7.404 CV 1 OR { 1295} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 64 and name HN )) ASSI { 1298} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 71 and name HD2 )) 3.600 1.600 1.600 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.10529E-02 ppm1 2.205 ppm2 2.788 CV 1 ASSI { 1300} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 54 and name HA )) 4.000 2.000 2.000 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.45425E-03 ppm1 2.489 ppm2 4.376 CV 1 ASSI { 1301} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 37 and name HN )) 4.000 2.000 2.000 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.77111E-03 ppm1 2.266 ppm2 7.544 CV 1 ASSI { 1302} (( segid " " and resid 55 and name HB1 )) ( segid " " and resid 56 and name HE% ) 4.000 2.000 2.000 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.41967E-03 ppm1 1.892 ppm2 6.812 CV 1 ASSI { 1303} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 56 and name HE% ) 4.800 2.800 1.200 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.43604E-03 ppm1 1.604 ppm2 6.816 CV 1 ASSI { 1304} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 68 and name HG1%) 3.100 1.200 1.200 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.13452E-02 ppm1 2.465 ppm2 1.124 CV 1 ASSI { 1305} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 68 and name HG1%) 3.100 1.200 1.200 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.21003E-02 ppm1 2.276 ppm2 1.121 CV 1 ASSI { 1308} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 68 and name HG2%) 5.100 3.300 0.900 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.42231E-03 ppm1 2.463 ppm2 1.221 CV 1 ASSI { 1312} (( segid " " and resid 53 and name HB1 )) ( segid " " and resid 58 and name HG1%) 4.500 2.600 1.500 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.65964E-03 ppm1 2.491 ppm2 0.923 CV 1 ASSI { 1319} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 70 and name HB )) 3.500 1.500 1.500 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.25936E-03 ppm1 2.794 ppm2 4.622 CV 1 ASSI { 1320} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 61 and name HD2 )) 1.800 0.400 0.400 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.87901E-02 ppm1 4.015 ppm2 3.565 CV 1 ASSI { 1322} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 33 and name HN )) 3.600 1.600 1.600 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.38878E-03 ppm1 2.792 ppm2 7.220 CV 1 ASSI { 1323} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 35 and name HE% ) 4.700 2.800 1.300 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.44692E-03 ppm1 2.792 ppm2 6.902 CV 1 OR { 1323} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 35 and name HZ )) ASSI { 1325} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 35 and name HE% ) 4.000 2.000 2.000 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.31563E-03 ppm1 4.039 ppm2 6.902 CV 1 OR { 1325} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 35 and name HZ )) ASSI { 1332} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 71 and name HG2 )) 2.700 0.900 0.900 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.13631E-02 ppm1 2.791 ppm2 1.340 CV 1 ASSI { 1339} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HG2 )) 3.000 1.100 1.100 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.17342E-02 ppm1 4.031 ppm2 1.342 CV 1 ASSI { 1350} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 71 and name HA )) 3.400 1.400 1.400 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.76501E-03 ppm1 2.205 ppm2 4.233 CV 1 ASSI { 1351} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 71 and name HD1 )) 2.700 0.900 0.900 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.12825E-02 ppm1 2.205 ppm2 4.029 CV 1 ASSI { 1358} (( segid " " and resid 60 and name HG11)) ( segid " " and resid 60 and name HD1%) 2.200 0.600 0.600 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.73808E-02 ppm1 1.492 ppm2 0.845 CV 1 ASSI { 1359} (( segid " " and resid 60 and name HG11)) (( segid " " and resid 60 and name HG12)) 1.600 0.300 0.600 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.14463E-01 ppm1 1.492 ppm2 1.109 CV 1 ASSI { 1364} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 48 and name HB )) 4.100 2.100 1.900 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.83463E-03 ppm1 1.535 ppm2 4.399 CV 1 ASSI { 1365} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 48 and name HN )) 4.400 2.500 1.600 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.73372E-03 ppm1 1.536 ppm2 8.324 CV 1 ASSI { 1370} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 49 and name HN )) 2.200 0.600 0.600 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.91063E-02 ppm1 1.536 ppm2 8.733 CV 1 ASSI { 1371} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 47 and name HN )) 4.700 2.800 1.300 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.27676E-03 ppm1 1.534 ppm2 8.523 CV 1 ASSI { 1372} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 52 and name HN )) 4.300 2.300 1.700 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.49108E-03 ppm1 1.535 ppm2 8.445 CV 1 ASSI { 1374} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 50 and name HN )) 2.200 0.600 0.600 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.13015E-01 ppm1 1.653 ppm2 8.242 CV 1 ASSI { 1375} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 51 and name HN )) 2.400 0.700 0.700 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.60851E-02 ppm1 1.653 ppm2 8.132 CV 1 ASSI { 1385} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 13 and name HN )) 2.300 0.600 0.600 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.87023E-02 ppm1 1.672 ppm2 7.704 CV 1 ASSI { 1387} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 12 and name HN )) 4.800 2.900 1.200 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.38274E-03 ppm1 1.671 ppm2 7.981 CV 1 ASSI { 1388} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 14 and name HN )) 2.500 0.800 0.800 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.42897E-02 ppm1 1.671 ppm2 8.416 CV 1 ASSI { 1391} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 13 and name HA )) 2.200 0.600 0.600 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.11024E-01 ppm1 1.671 ppm2 4.393 CV 1 ASSI { 1394} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 51 and name HD1 )) 4.000 2.000 2.000 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.59762E-03 ppm1 1.672 ppm2 3.445 CV 1 ASSI { 1395} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 51 and name HD2 )) 3.500 1.500 1.500 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.66555E-03 ppm1 1.673 ppm2 3.298 CV 1 ASSI { 1406} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 18 and name HA )) 2.200 0.600 0.600 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.12348E-01 ppm1 1.541 ppm2 4.345 CV 1 ASSI { 1407} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 2 and name HA )) 2.500 0.800 0.800 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.56375E-02 ppm1 1.649 ppm2 4.278 CV 1 ASSI { 1408} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 3 and name HB )) 3.900 1.900 1.900 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.84415E-03 ppm1 1.651 ppm2 4.194 CV 1 ASSI { 1401} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 48 and name HG2%) 2.700 0.900 0.900 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.50075E-02 ppm1 1.672 ppm2 1.127 CV 1 ASSI { 1410} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 82 and name HA )) 2.900 0.800 0.800 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.37386E-02 ppm1 1.573 ppm2 4.214 CV 1 ASSI { 1411} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 85 and name HA )) 2.300 0.700 0.700 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.95482E-02 ppm1 1.575 ppm2 4.467 CV 1 ASSI { 1415} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 85 and name HN )) 4.400 2.400 1.600 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.37901E-03 ppm1 1.614 ppm2 7.858 CV 1 ASSI { 1417} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 84 and name HN )) 2.600 0.900 0.900 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.49798E-02 ppm1 1.610 ppm2 7.751 CV 1 ASSI { 1418} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 15 and name HN )) 5.200 3.400 0.800 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.14900E-03 ppm1 1.674 ppm2 8.525 CV 1 ASSI { 1427} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HN )) 2.800 1.000 1.000 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.19558E-02 ppm1 3.302 ppm2 7.533 CV 1 ASSI { 1428} (( segid " " and resid 31 and name HA )) ( segid " " and resid 30 and name HD% ) 3.400 1.400 1.400 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.10122E-02 ppm1 3.301 ppm2 7.316 CV 1 OR { 1428} (( segid " " and resid 31 and name HA )) (( segid " " and resid 30 and name HZ )) ASSI { 1430} (( segid " " and resid 31 and name HA )) (( segid " " and resid 72 and name HN )) 3.800 1.800 1.800 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.11378E-02 ppm1 3.302 ppm2 9.016 CV 1 OR { 1430} (( segid " " and resid 31 and name HA )) (( segid " " and resid 72 and name HE )) ASSI { 1436} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 64 and name HB )) 2.900 0.800 0.800 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.38926E-02 ppm1 1.026 ppm2 2.210 CV 1 ASSI { 1440} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 58 and name HB )) 4.000 2.000 2.000 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.83566E-03 ppm1 0.878 ppm2 2.125 CV 1 ASSI { 1443} ( segid " " and resid 44 and name HB% ) ( segid " " and resid 43 and name HD2%) 4.700 2.700 1.300 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.57820E-03 ppm1 1.511 ppm2 1.061 CV 1 ASSI { 1450} (( segid " " and resid 24 and name HB )) (( segid " " and resid 24 and name HN )) 3.200 1.300 1.300 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.33336E-02 ppm1 4.226 ppm2 8.144 CV 1 ASSI { 1455} (( segid " " and resid 2 and name HA )) (( segid " " and resid 3 and name HN )) 3.400 1.500 1.500 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.88679E-03 ppm1 4.289 ppm2 8.689 CV 1 ASSI { 1460} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HN )) 2.900 1.000 1.000 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.37418E-02 ppm1 4.349 ppm2 8.251 CV 1 ASSI { 1465} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HB% )) 2.900 1.000 1.000 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.37418E-02 ppm1 4.349 ppm2 8.251 CV 1 ASSI { 1466} (( segid " " and resid 33 and name HA )) (( segid " " and resid 34 and name HG1 )) 4.500 2.500 1.500 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.42924E-03 ppm1 4.318 ppm2 1.919 CV 1 ASSI { 1467} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB1 )) 2.700 0.900 0.900 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.43087E-02 ppm1 4.311 ppm2 1.777 CV 1 OR { 1467} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HG )) ASSI { 1468} (( segid " " and resid 83 and name HA )) ( segid " " and resid 83 and name HB% ) 2.200 0.600 0.600 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.13342E-01 ppm1 4.291 ppm2 1.609 CV 1 ASSI { 1469} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB2 )) 2.400 0.700 0.700 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.33039E-02 ppm1 4.312 ppm2 1.400 CV 1 ASSI { 1470} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB2 )) 2.600 0.900 0.900 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.46922E-02 ppm1 4.369 ppm2 1.217 CV 1 ASSI { 1473} (( segid " " and resid 83 and name HA )) ( segid " " and resid 4 and name HD1%) 3.300 1.400 1.400 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.12922E-02 ppm1 4.293 ppm2 0.881 CV 1 ASSI { 1481} (( segid " " and resid 26 and name HA )) ( segid " " and resid 26 and name HD2%) 4.600 2.700 1.400 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.60353E-03 ppm1 4.368 ppm2 0.798 CV 1 ASSI { 1492} (( segid " " and resid 26 and name HA )) ( segid " " and resid 30 and name HD% ) 3.200 1.300 1.300 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.10356E-02 ppm1 4.367 ppm2 7.315 CV 1 ASSI { 1493} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HN )) 2.800 1.000 1.000 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.23329E-02 ppm1 4.368 ppm2 8.213 CV 1 ASSI { 1494} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HN )) 2.700 0.900 0.900 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.26157E-02 ppm1 4.365 ppm2 8.482 CV 1 ASSI { 1495} (( segid " " and resid 26 and name HA )) (( segid " " and resid 25 and name HN )) 4.300 2.400 1.700 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.39432E-03 ppm1 4.365 ppm2 8.607 CV 1 ASSI { 1497} (( segid " " and resid 83 and name HA )) (( segid " " and resid 84 and name HN )) 3.000 1.100 1.100 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.31852E-02 ppm1 4.292 ppm2 7.751 CV 1 ASSI { 1498} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HN )) 2.600 0.800 0.800 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.47326E-02 ppm1 4.292 ppm2 7.971 CV 1 ASSI { 1503} (( segid " " and resid 65 and name HA )) ( segid " " and resid 68 and name HG1%) 3.000 1.100 1.100 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.16905E-02 ppm1 3.986 ppm2 1.134 CV 1 ASSI { 1504} (( segid " " and resid 65 and name HA )) ( segid " " and resid 68 and name HG2%) 3.400 1.400 1.400 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.14052E-02 ppm1 3.985 ppm2 1.220 CV 1 ASSI { 1505} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HN )) 2.700 0.900 0.900 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.31219E-02 ppm1 3.988 ppm2 8.247 CV 1 ASSI { 1506} (( segid " " and resid 65 and name HA )) (( segid " " and resid 66 and name HN )) 3.100 1.200 1.200 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.14881E-02 ppm1 3.987 ppm2 8.021 CV 1 ASSI { 1510} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HN )) 2.900 1.100 1.100 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.20275E-02 ppm1 4.378 ppm2 8.144 CV 1 ASSI { 1511} (( segid " " and resid 4 and name HA )) (( segid " " and resid 5 and name HN )) 2.000 0.500 0.500 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.98414E-02 ppm1 4.375 ppm2 9.419 CV 1 ASSI { 1512} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB2 )) 2.400 0.700 0.700 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.44259E-02 ppm1 4.375 ppm2 1.496 CV 1 ASSI { 1515} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HB1 )) 2.800 1.000 1.000 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.29253E-02 ppm1 4.319 ppm2 2.345 CV 1 ASSI { 1516} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HG1 )) 4.800 2.900 1.200 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.32862E-03 ppm1 4.327 ppm2 2.620 CV 1 ASSI { 1517} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HN )) 2.600 0.800 0.800 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.39321E-02 ppm1 4.319 ppm2 8.136 CV 1 ASSI { 1518} (( segid " " and resid 44 and name HA )) (( segid " " and resid 48 and name HN )) 4.500 2.600 1.500 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.23776E-03 ppm1 4.323 ppm2 8.329 CV 1 ASSI { 1519} (( segid " " and resid 44 and name HA )) (( segid " " and resid 45 and name HN )) 3.900 1.900 1.900 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.46018E-03 ppm1 4.321 ppm2 8.420 CV 1 ASSI { 1520} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HN )) 3.300 1.400 1.400 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.11603E-02 ppm1 4.274 ppm2 8.963 CV 1 ASSI { 1521} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HN )) 2.700 0.900 0.900 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.36190E-02 ppm1 4.273 ppm2 8.243 CV 1 ASSI { 1522} (( segid " " and resid 50 and name HA )) (( segid " " and resid 51 and name HN )) 3.400 1.400 1.400 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.12709E-02 ppm1 4.277 ppm2 8.132 CV 1 ASSI { 1524} (( segid " " and resid 50 and name HA )) (( segid " " and resid 54 and name HN )) 4.100 2.100 1.900 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.75056E-03 ppm1 4.275 ppm2 8.032 CV 1 ASSI { 1527} (( segid " " and resid 5 and name HA )) ( segid " " and resid 5 and name HD2%) 2.600 0.900 0.900 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.39438E-02 ppm1 4.531 ppm2 0.643 CV 1 OR { 1527} (( segid " " and resid 5 and name HA )) ( segid " " and resid 5 and name HD1%) ASSI { 1528} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB1 )) 2.500 0.800 0.800 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.48072E-02 ppm1 4.530 ppm2 1.578 CV 1 OR { 1528} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HG )) ASSI { 1530} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB2 )) 2.600 0.900 0.900 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.29954E-02 ppm1 4.531 ppm2 1.335 CV 1 ASSI { 1533} (( segid " " and resid 50 and name HA )) ( segid " " and resid 50 and name HB% ) 2.200 0.600 0.600 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.11055E-01 ppm1 4.273 ppm2 1.651 CV 1 ASSI { 1542} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB1 )) 3.100 1.200 1.200 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.19371E-02 ppm1 4.405 ppm2 1.994 CV 1 ASSI { 1545} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB2 )) 2.100 0.500 0.500 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.73864E-02 ppm1 4.214 ppm2 1.570 CV 1 ASSI { 1546} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HG )) 2.900 1.100 1.100 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.17454E-02 ppm1 4.215 ppm2 1.889 CV 1 ASSI { 1547} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HG )) 3.000 1.100 1.100 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.27114E-02 ppm1 4.215 ppm2 1.843 CV 1 ASSI { 1548} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB2 )) 2.700 0.900 0.900 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.32451E-02 ppm1 4.383 ppm2 2.137 CV 1 ASSI { 1550} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB1 )) 2.700 0.900 0.900 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.32451E-02 ppm1 4.383 ppm2 2.270 CV 1 ASSI { 1552} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB1 )) 2.500 0.800 0.800 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.41918E-02 ppm1 4.477 ppm2 2.230 CV 1 ASSI { 1553} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG2 )) 3.000 1.200 1.200 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.25905E-02 ppm1 4.475 ppm2 2.394 CV 1 OR { 1553} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG1 )) ASSI { 1554} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HG1 )) 3.400 1.400 1.400 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 4.383 ppm2 2.541 CV 1 ASSI { 1556} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HB1 )) 3.700 1.700 1.700 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.21407E-02 ppm1 3.956 ppm2 2.219 CV 1 ASSI { 1557} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HB2 )) 2.500 0.800 0.800 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.40647E-02 ppm1 3.301 ppm2 2.016 CV 1 ASSI { 1559} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HG )) 3.200 1.300 1.300 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.15314E-02 ppm1 3.299 ppm2 1.183 CV 1 ASSI { 1560} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB2 )) 2.600 0.900 0.900 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.21918E-02 ppm1 3.299 ppm2 1.014 CV 1 ASSI { 1561} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HB1 )) 3.600 1.600 1.600 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.28623E-02 ppm1 3.301 ppm2 2.244 CV 1 OR { 1561} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HG1 )) ASSI { 1565} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HN )) 2.600 0.900 0.900 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.26579E-02 ppm1 3.956 ppm2 8.733 CV 1 ASSI { 1566} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HN )) 3.300 1.300 1.300 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.10653E-02 ppm1 3.957 ppm2 8.419 CV 1 ASSI { 1569} (( segid " " and resid 49 and name HA )) ( segid " " and resid 49 and name HB% ) 2.100 0.600 0.600 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.91044E-02 ppm1 3.956 ppm2 1.532 CV 1 ASSI { 1574} (( segid " " and resid 49 and name HA )) ( segid " " and resid 52 and name HD1%) 2.200 0.600 0.600 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.52510E-02 ppm1 3.957 ppm2 0.852 CV 1 ASSI { 1580} (( segid " " and resid 14 and name HA )) ( segid " " and resid 14 and name HD1%) 2.200 0.600 0.600 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.66865E-02 ppm1 4.404 ppm2 0.758 CV 1 ASSI { 1582} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB2 )) 2.500 0.800 0.800 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.30223E-02 ppm1 4.405 ppm2 1.418 CV 1 ASSI { 1583} (( segid " " and resid 14 and name HA )) ( segid " " and resid 40 and name HE% ) 4.100 2.100 1.900 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.66982E-03 ppm1 4.405 ppm2 6.735 CV 1 ASSI { 1584} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HN )) 2.700 0.900 0.900 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.23164E-02 ppm1 4.405 ppm2 8.413 CV 1 ASSI { 1585} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HN )) 3.300 1.400 1.400 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.90063E-03 ppm1 4.404 ppm2 8.520 CV 1 ASSI { 1586} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HN )) 2.800 1.000 1.000 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.27581E-02 ppm1 4.448 ppm2 8.819 CV 1 ASSI { 1588} (( segid " " and resid 45 and name HA )) ( segid " " and resid 40 and name HE% ) 3.200 1.300 1.300 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.11504E-02 ppm1 3.905 ppm2 6.733 CV 1 ASSI { 1590} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB1 )) 2.500 0.800 0.800 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.63858E-02 ppm1 4.451 ppm2 2.822 CV 1 ASSI { 1595} (( segid " " and resid 76 and name HA )) (( segid " " and resid 79 and name HB1 )) 3.800 1.800 1.800 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.20757E-02 ppm1 4.488 ppm2 3.086 CV 1 ASSI { 1598} (( segid " " and resid 76 and name HA )) (( segid " " and resid 79 and name HN )) 3.300 1.400 1.400 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.11280E-02 ppm1 4.491 ppm2 8.885 CV 1 ASSI { 1604} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HB )) 2.600 0.900 0.900 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.26159E-02 ppm1 3.903 ppm2 4.416 CV 1 ASSI { 1605} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB1 )) 2.600 0.900 0.900 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.24403E-02 ppm1 3.896 ppm2 2.193 CV 1 ASSI { 1613} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HG2 )) 3.300 1.300 1.300 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.23819E-02 ppm1 4.101 ppm2 0.968 CV 1 ASSI { 1614} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HG1 )) 2.700 0.900 0.900 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.33880E-02 ppm1 4.102 ppm2 1.347 CV 1 ASSI { 1615} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB2 )) 2.400 0.700 0.700 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.40772E-02 ppm1 4.101 ppm2 1.607 CV 1 ASSI { 1616} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB1 )) 2.700 0.900 0.900 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.64322E-02 ppm1 4.101 ppm2 1.890 CV 1 ASSI { 1618} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HD2 )) 3.800 1.800 1.800 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.10777E-02 ppm1 4.100 ppm2 3.016 CV 1 ASSI { 1619} (( segid " " and resid 55 and name HA )) (( segid " " and resid 57 and name HN )) 4.100 2.100 1.900 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.40798E-03 ppm1 4.103 ppm2 7.982 CV 1 ASSI { 1620} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HN )) 2.500 0.800 0.800 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.51323E-02 ppm1 4.102 ppm2 8.106 CV 1 ASSI { 1625} (( segid " " and resid 45 and name HA )) ( segid " " and resid 45 and name HD1%) 2.900 1.000 1.000 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.17550E-02 ppm1 3.900 ppm2 0.198 CV 1 ASSI { 1626} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG )) 4.500 2.500 1.500 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.52205E-03 ppm1 3.900 ppm2 1.346 CV 1 ASSI { 1629} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB2 )) 2.600 0.800 0.800 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.40062E-02 ppm1 4.582 ppm2 2.789 CV 1 ASSI { 1631} (( segid " " and resid 40 and name HA )) ( segid " " and resid 40 and name HD% ) 2.700 0.900 0.900 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.24785E-02 ppm1 4.584 ppm2 6.969 CV 1 ASSI { 1640} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB1 )) 3.000 1.100 1.100 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.22117E-02 ppm1 4.314 ppm2 2.429 CV 1 ASSI { 1643} (( segid " " and resid 52 and name HA )) ( segid " " and resid 56 and name HD% ) 3.000 1.100 1.100 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.21994E-02 ppm1 4.323 ppm2 7.437 CV 1 ASSI { 1644} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HN )) 3.000 1.100 1.100 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.13639E-02 ppm1 4.315 ppm2 7.705 CV 1 ASSI { 1645} (( segid " " and resid 10 and name HA )) (( segid " " and resid 13 and name HN )) 3.400 1.400 1.400 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.77960E-03 ppm1 4.216 ppm2 7.703 CV 1 ASSI { 1646} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HN )) 2.600 0.800 0.800 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.32642E-02 ppm1 4.274 ppm2 7.791 CV 1 ASSI { 1655} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HN )) 2.500 0.800 0.800 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.49474E-02 ppm1 4.205 ppm2 8.232 CV 1 ASSI { 1658} (( segid " " and resid 73 and name HA )) (( segid " " and resid 74 and name HN )) 3.300 1.300 1.300 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.11160E-02 ppm1 4.243 ppm2 7.703 CV 1 ASSI { 1663} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HG2 )) 2.700 0.900 0.900 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.49803E-02 ppm1 4.205 ppm2 2.397 CV 1 ASSI { 1665} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB2 )) 2.600 0.900 0.900 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.62554E-02 ppm1 4.204 ppm2 2.140 CV 1 ASSI { 1667} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB )) 2.200 0.600 0.600 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.67935E-02 ppm1 4.679 ppm2 2.127 CV 1 ASSI { 1668} (( segid " " and resid 58 and name HA )) ( segid " " and resid 58 and name HG1%) 2.300 0.700 0.700 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.96875E-02 ppm1 4.679 ppm2 0.962 CV 1 ASSI { 1669} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HB1 )) 2.500 0.800 0.800 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.37017E-02 ppm1 4.687 ppm2 3.448 CV 1 ASSI { 1670} (( segid " " and resid 56 and name HA )) ( segid " " and resid 56 and name HD% ) 2.300 0.700 0.700 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.59063E-02 ppm1 4.685 ppm2 7.439 CV 1 ASSI { 1671} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HN )) 2.100 0.600 0.600 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.10578E-01 ppm1 4.678 ppm2 8.487 CV 1 ASSI { 1674} (( segid " " and resid 27 and name HA )) (( segid " " and resid 28 and name HN )) 2.400 0.700 0.700 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.40458E-02 ppm1 4.298 ppm2 8.592 CV 1 ASSI { 1675} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HN )) 2.800 1.000 1.000 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.24973E-02 ppm1 4.297 ppm2 8.212 CV 1 ASSI { 1676} (( segid " " and resid 27 and name HA )) ( segid " " and resid 30 and name HD% ) 3.200 1.300 1.300 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.15895E-02 ppm1 4.298 ppm2 7.305 CV 1 ASSI { 1677} (( segid " " and resid 27 and name HA )) ( segid " " and resid 30 and name HE% ) 4.100 2.100 1.900 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.49362E-03 ppm1 4.298 ppm2 7.187 CV 1 ASSI { 1679} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HB2 )) 2.100 0.600 0.600 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.14587E-01 ppm1 4.298 ppm2 4.009 CV 1 OR { 1679} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HB1 )) ASSI { 1680} (( segid " " and resid 27 and name HA )) (( segid " " and resid 11 and name HD2 )) 2.900 1.100 1.100 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.19261E-02 ppm1 4.298 ppm2 3.192 CV 1 OR { 1680} (( segid " " and resid 27 and name HA )) (( segid " " and resid 11 and name HD1 )) ASSI { 1681} (( segid " " and resid 53 and name HA )) ( segid " " and resid 58 and name HG1%) 3.000 1.100 1.100 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.45380E-02 ppm1 4.106 ppm2 0.922 CV 1 ASSI { 1684} (( segid " " and resid 12 and name HA )) ( segid " " and resid 15 and name HG1%) 3.900 1.900 1.900 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.11100E-02 ppm1 4.033 ppm2 1.033 CV 1 ASSI { 1685} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG2 )) 2.500 0.800 0.800 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.36903E-02 ppm1 4.033 ppm2 1.673 CV 1 ASSI { 1686} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB1 )) 2.300 0.600 0.600 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.92315E-02 ppm1 4.033 ppm2 2.027 CV 1 OR { 1686} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB2 )) ASSI { 1687} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG1 )) 3.000 1.100 1.100 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.30900E-02 ppm1 4.033 ppm2 1.924 CV 1 ASSI { 1688} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HB )) 2.500 0.800 0.800 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.33667E-02 ppm1 4.033 ppm2 2.271 CV 1 ASSI { 1689} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HG2 )) 2.200 0.600 0.600 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.57323E-02 ppm1 4.106 ppm2 2.326 CV 1 ASSI { 1690} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB1 )) 2.400 0.700 0.700 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.35970E-02 ppm1 4.106 ppm2 2.491 CV 1 ASSI { 1691} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HG1 )) 2.800 1.000 1.000 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.31715E-02 ppm1 4.106 ppm2 2.748 CV 1 ASSI { 1693} (( segid " " and resid 53 and name HA )) (( segid " " and resid 58 and name HN )) 2.800 1.000 1.000 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.24137E-02 ppm1 4.106 ppm2 7.492 CV 1 ASSI { 1694} (( segid " " and resid 53 and name HA )) (( segid " " and resid 54 and name HN )) 3.000 1.100 1.100 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.16224E-02 ppm1 4.105 ppm2 8.027 CV 1 ASSI { 1697} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HN )) 2.600 0.800 0.800 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.36736E-02 ppm1 4.033 ppm2 7.992 CV 1 ASSI { 1698} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HN )) 2.500 0.800 0.800 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.32848E-02 ppm1 4.106 ppm2 8.961 CV 1 ASSI { 1701} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HN )) 3.400 1.400 1.400 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.11345E-02 ppm1 4.034 ppm2 8.511 CV 1 ASSI { 1702} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HN )) 3.300 1.400 1.400 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.11683E-02 ppm1 4.033 ppm2 7.705 CV 1 ASSI { 1703} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB1 )) 2.600 0.900 0.900 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.23645E-02 ppm1 3.610 ppm2 1.857 CV 1 ASSI { 1704} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HB1 )) 3.400 1.400 1.400 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.27642E-02 ppm1 3.610 ppm2 2.196 CV 1 ASSI { 1705} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB2 )) 2.500 0.800 0.800 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.43085E-02 ppm1 3.611 ppm2 1.644 CV 1 OR { 1705} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG1 )) ASSI { 1707} (( segid " " and resid 72 and name HA )) ( segid " " and resid 75 and name HD2%) 4.100 2.100 1.900 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.43317E-03 ppm1 3.609 ppm2 0.875 CV 1 ASSI { 1711} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HN )) 2.800 1.000 1.000 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.22837E-02 ppm1 3.612 ppm2 9.012 CV 1 OR { 1711} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HE )) ASSI { 1713} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB1 )) 2.700 0.900 0.900 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.37441E-02 ppm1 4.577 ppm2 4.147 CV 1 ASSI { 1714} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB2 )) 2.700 0.900 0.900 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.45224E-02 ppm1 4.579 ppm2 4.053 CV 1 ASSI { 1715} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB1 )) 2.400 0.700 0.700 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.63159E-02 ppm1 4.361 ppm2 2.263 CV 1 ASSI { 1716} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG2 )) 3.000 1.100 1.100 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.46117E-02 ppm1 4.360 ppm2 2.479 CV 1 OR { 1716} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG1 )) ASSI { 1717} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB2 )) 2.500 0.800 0.800 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.62999E-02 ppm1 4.360 ppm2 2.125 CV 1 ASSI { 1718} (( segid " " and resid 36 and name HA )) (( segid " " and resid 37 and name HN )) 3.300 1.400 1.400 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.11909E-02 ppm1 4.361 ppm2 7.544 CV 1 ASSI { 1720} (( segid " " and resid 36 and name HA )) (( segid " " and resid 40 and name HN )) 3.400 1.400 1.400 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.79015E-03 ppm1 4.362 ppm2 8.051 CV 1 ASSI { 1721} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HN )) 2.800 1.000 1.000 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.23699E-02 ppm1 4.688 ppm2 8.156 CV 1 ASSI { 1723} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 46 and name HN )) 4.500 2.500 1.500 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.54161E-03 ppm1 1.520 ppm2 8.250 CV 1 ASSI { 1730} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 81 and name HA )) 2.100 0.500 0.500 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.12974E-01 ppm1 1.630 ppm2 4.457 CV 1 ASSI { 1737} (( segid " " and resid 11 and name HA )) (( segid " " and resid 30 and name HZ )) 3.000 1.100 1.100 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.14041E-02 ppm1 3.516 ppm2 7.331 CV 1 ASSI { 1738} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HD1 )) 4.500 2.500 1.500 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.68831E-03 ppm1 3.515 ppm2 3.178 CV 1 OR { 1738} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HD2 )) ASSI { 1739} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB2 )) 2.300 0.700 0.700 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.63525E-02 ppm1 3.516 ppm2 2.032 CV 1 OR { 1739} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB1 )) ASSI { 1747} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HN )) 3.400 1.400 1.400 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.10192E-02 ppm1 4.267 ppm2 8.440 CV 1 ASSI { 1752} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB )) 2.700 0.900 0.900 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.42627E-02 ppm1 3.914 ppm2 2.271 CV 1 ASSI { 1753} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB1 )) 2.200 0.600 0.600 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.44753E-02 ppm1 4.237 ppm2 2.252 CV 1 ASSI { 1754} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HB1 )) 2.700 0.900 0.900 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.21971E-02 ppm1 4.239 ppm2 2.432 CV 1 ASSI { 1755} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HB2 )) 2.800 1.000 1.000 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.18066E-02 ppm1 4.236 ppm2 1.694 CV 1 ASSI { 1758} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB2 )) 3.100 1.200 1.200 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.20161E-02 ppm1 4.234 ppm2 2.020 CV 1 ASSI { 1761} (( segid " " and resid 71 and name HA )) ( segid " " and resid 10 and name HD2%) 3.000 1.100 1.100 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.22201E-02 ppm1 4.237 ppm2 1.112 CV 1 ASSI { 1765} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 71 and name HG2 )) 1.800 0.400 0.400 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.64974E-02 ppm1 2.203 ppm2 1.342 CV 1 ASSI { 1768} (( segid " " and resid 52 and name HG )) ( segid " " and resid 52 and name HD1%) 2.000 0.500 0.500 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.11461E-01 ppm1 2.052 ppm2 0.863 CV 1 ASSI { 1770} (( segid " " and resid 52 and name HG )) (( segid " " and resid 52 and name HB2 )) 2.700 0.900 0.900 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.15042E-02 ppm1 2.047 ppm2 1.428 CV 1 ASSI { 1772} (( segid " " and resid 52 and name HG )) ( segid " " and resid 13 and name HB% ) 3.500 1.500 1.500 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.14166E-02 ppm1 2.047 ppm2 1.666 CV 1 ASSI { 1775} (( segid " " and resid 75 and name HG )) (( segid " " and resid 75 and name HB1 )) 2.700 0.900 0.900 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.24248E-02 ppm1 1.693 ppm2 2.193 CV 1 ASSI { 1776} (( segid " " and resid 71 and name HA )) (( segid " " and resid 35 and name HZ )) 2.200 0.600 0.600 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.58383E-02 ppm1 4.237 ppm2 6.887 CV 1 ASSI { 1779} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HN )) 2.600 0.900 0.900 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.37030E-02 ppm1 3.914 ppm2 8.509 CV 1 ASSI { 1780} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 42 and name HN )) 2.800 0.900 0.900 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.21709E-02 ppm1 4.179 ppm2 8.940 CV 1 ASSI { 1784} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 43 and name HN )) 4.500 2.600 1.500 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.49320E-03 ppm1 4.351 ppm2 7.786 CV 1 ASSI { 1785} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 43 and name HN )) 3.500 1.500 1.500 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.67508E-03 ppm1 4.180 ppm2 7.787 CV 1 ASSI { 1786} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HN )) 3.000 1.200 1.200 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.13814E-02 ppm1 4.240 ppm2 7.707 CV 1 ASSI { 1788} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HG2 )) 4.100 2.100 1.900 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.94201E-03 ppm1 4.241 ppm2 1.342 CV 1 ASSI { 1789} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HB2 )) 2.600 0.800 0.800 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.39653E-02 ppm1 4.264 ppm2 4.350 CV 1 ASSI { 1790} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HB1 )) 2.600 0.800 0.800 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.90908E-02 ppm1 4.266 ppm2 4.191 CV 1 ASSI { 1795} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HN )) 2.700 0.900 0.900 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.32020E-02 ppm1 4.384 ppm2 8.033 CV 1 ASSI { 1796} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HN )) 2.700 0.900 0.900 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.32020E-02 ppm1 4.384 ppm2 8.033 CV 1 ASSI { 1797} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HN )) 2.500 0.800 0.800 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.71411E-02 ppm1 4.519 ppm2 8.500 CV 1 ASSI { 1798} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HN )) 2.900 1.100 1.100 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.23228E-02 ppm1 4.518 ppm2 8.256 CV 1 ASSI { 1800} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HN )) 3.000 1.100 1.100 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.16829E-02 ppm1 4.469 ppm2 7.281 CV 1 ASSI { 1801} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB )) 2.400 0.700 0.700 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.46015E-02 ppm1 4.467 ppm2 2.409 CV 1 ASSI { 1802} (( segid " " and resid 68 and name HA )) (( segid " " and resid 73 and name HB2 )) 4.000 2.000 2.000 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.87887E-03 ppm1 4.467 ppm2 2.275 CV 1 ASSI { 1803} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB )) 2.500 0.800 0.800 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.37613E-02 ppm1 4.669 ppm2 2.461 CV 1 ASSI { 1805} (( segid " " and resid 21 and name HA )) ( segid " " and resid 21 and name HG2%) 2.900 1.100 1.100 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.52158E-02 ppm1 4.518 ppm2 1.234 CV 1 ASSI { 1807} (( segid " " and resid 38 and name HA )) ( segid " " and resid 38 and name HD1%) 4.500 2.600 1.500 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.99732E-03 ppm1 4.667 ppm2 0.866 CV 1 ASSI { 1811} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HG11)) 3.000 1.100 1.100 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.18074E-02 ppm1 4.388 ppm2 1.819 CV 1 ASSI { 1812} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB1 )) 2.100 0.600 0.600 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.75675E-02 ppm1 4.532 ppm2 2.542 CV 1 ASSI { 1813} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB2 )) 2.600 0.800 0.800 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.63651E-02 ppm1 4.531 ppm2 2.065 CV 1 ASSI { 1816} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB2 )) 3.100 1.200 1.200 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.17463E-02 ppm1 4.389 ppm2 3.096 CV 1 ASSI { 1817} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB1 )) 2.400 0.700 0.700 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.26301E-02 ppm1 4.390 ppm2 3.603 CV 1 ASSI { 1819} (( segid " " and resid 35 and name HA )) ( segid " " and resid 35 and name HD% ) 2.400 0.700 0.700 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.50474E-02 ppm1 4.389 ppm2 7.125 CV 1 ASSI { 1820} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HN )) 2.000 0.500 0.500 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.16053E-01 ppm1 4.400 ppm2 8.146 CV 1 ASSI { 1822} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HN )) 2.200 0.600 0.600 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.94084E-02 ppm1 4.335 ppm2 8.611 CV 1 ASSI { 1823} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HN )) 2.700 0.900 0.900 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.31788E-02 ppm1 4.337 ppm2 8.141 CV 1 ASSI { 1824} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HN )) 2.100 0.500 0.500 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.12051E-01 ppm1 4.532 ppm2 8.821 CV 1 ASSI { 1825} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HN )) 2.400 0.700 0.700 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.66902E-02 ppm1 4.113 ppm2 8.033 CV 1 OR { 1825} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HN )) ASSI { 1826} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 53 and name HN )) 4.500 2.600 1.500 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.64810E-03 ppm1 4.114 ppm2 8.978 CV 1 OR { 1826} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 53 and name HN )) ASSI { 1832} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name HN )) 3.200 1.300 1.300 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.10063E-02 ppm1 4.381 ppm2 9.550 CV 1 ASSI { 1834} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HG1 )) 3.000 1.100 1.100 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.32234E-02 ppm1 4.533 ppm2 2.121 CV 1 OR { 1834} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HG2 )) ASSI { 1835} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HA )) 2.200 0.600 0.600 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.12893E-01 ppm1 4.111 ppm2 4.378 CV 1 OR { 1835} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HA )) ASSI { 1839} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HN )) 3.000 1.200 1.200 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.30400E-02 ppm1 3.805 ppm2 8.486 CV 1 ASSI { 1840} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HN )) 2.500 0.800 0.800 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.32389E-02 ppm1 3.756 ppm2 8.485 CV 1 ASSI { 1841} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 28 and name HN )) 3.900 1.900 1.900 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.13492E-02 ppm1 4.029 ppm2 8.593 CV 1 ASSI { 1842} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 28 and name HN )) 3.800 1.800 1.800 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.14915E-02 ppm1 3.984 ppm2 8.592 CV 1 ASSI { 1844} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HN )) 3.000 1.100 1.100 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.23090E-02 ppm1 3.984 ppm2 8.213 CV 1 ASSI { 1849} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HN )) 2.700 0.900 0.900 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.28611E-02 ppm1 3.812 ppm2 7.400 CV 1 ASSI { 1850} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 40 and name HE% ) 3.500 1.500 1.500 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.67939E-03 ppm1 4.148 ppm2 6.737 CV 1 ASSI { 1852} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 40 and name HE% ) 3.800 1.800 1.800 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.58153E-03 ppm1 4.064 ppm2 6.740 CV 1 ASSI { 1856} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HA )) 2.900 1.000 1.000 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.19961E-02 ppm1 3.805 ppm2 4.827 CV 1 ASSI { 1858} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HA )) 3.100 1.200 1.200 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.19158E-02 ppm1 3.756 ppm2 4.826 CV 1 ASSI { 1866} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HG11)) 3.500 1.500 1.500 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.22372E-02 ppm1 3.748 ppm2 1.729 CV 1 ASSI { 1868} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HD2 )) 3.600 1.600 1.600 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.81511E-03 ppm1 3.814 ppm2 3.257 CV 1 OR { 1868} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HD1 )) ASSI { 1869} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HG12)) 2.700 0.900 0.900 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.31712E-02 ppm1 3.747 ppm2 1.291 CV 1 ASSI { 1871} (( segid " " and resid 64 and name HA )) ( segid " " and resid 64 and name HG1%) 2.300 0.700 0.700 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.85827E-02 ppm1 3.813 ppm2 1.015 CV 1 OR { 1871} (( segid " " and resid 64 and name HA )) ( segid " " and resid 64 and name HG2%) ASSI { 1876} (( segid " " and resid 78 and name HA )) ( segid " " and resid 78 and name HD1%) 2.300 0.700 0.700 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.46297E-02 ppm1 3.747 ppm2 0.805 CV 1 ASSI { 1884} (( segid " " and resid 24 and name HB )) (( segid " " and resid 25 and name HN )) 3.100 1.200 1.200 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.18685E-02 ppm1 4.228 ppm2 8.612 CV 1 ASSI { 1885} (( segid " " and resid 21 and name HB )) (( segid " " and resid 21 and name HN )) 3.200 1.200 1.200 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.19285E-02 ppm1 4.374 ppm2 8.251 CV 1 ASSI { 1886} (( segid " " and resid 21 and name HB )) (( segid " " and resid 20 and name HN )) 3.000 1.100 1.100 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.33061E-02 ppm1 4.376 ppm2 8.498 CV 1 ASSI { 1887} (( segid " " and resid 21 and name HB )) (( segid " " and resid 21 and name HA )) 2.600 0.900 0.900 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.37816E-02 ppm1 4.377 ppm2 4.512 CV 1 ASSI { 1895} (( segid " " and resid 3 and name HB )) (( segid " " and resid 3 and name HA )) 2.400 0.700 0.700 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.80277E-02 ppm1 4.192 ppm2 4.390 CV 1 ASSI { 1897} (( segid " " and resid 3 and name HB )) (( segid " " and resid 3 and name HN )) 4.000 2.000 2.000 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.43862E-03 ppm1 4.193 ppm2 8.683 CV 1 ASSI { 1899} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HN )) 2.700 0.900 0.900 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.25255E-02 ppm1 5.266 ppm2 9.164 CV 1 ASSI { 1902} (( segid " " and resid 69 and name HA )) ( segid " " and resid 35 and name HD% ) 3.000 1.100 1.100 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.15751E-02 ppm1 5.267 ppm2 7.142 CV 1 ASSI { 1903} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB1 )) 2.500 0.800 0.800 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.43492E-02 ppm1 5.267 ppm2 3.008 CV 1 ASSI { 1904} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB2 )) 3.000 1.100 1.100 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.42179E-02 ppm1 5.266 ppm2 2.874 CV 1 ASSI { 1907} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HG1 )) 2.900 1.100 1.100 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.12574E-02 ppm1 4.271 ppm2 2.747 CV 1 ASSI { 1908} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB1 )) 2.300 0.700 0.700 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.85588E-02 ppm1 4.529 ppm2 2.828 CV 1 ASSI { 1909} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB2 )) 2.500 0.800 0.800 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.85827E-02 ppm1 4.529 ppm2 2.742 CV 1 ASSI { 1910} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HB1 )) 3.900 1.900 1.900 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.16406E-02 ppm1 4.273 ppm2 2.488 CV 1 ASSI { 1911} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HB2 )) 2.900 1.000 1.000 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.36599E-02 ppm1 4.274 ppm2 2.352 CV 1 OR { 1911} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HG2 )) ASSI { 1912} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HB2 )) 3.400 1.500 1.500 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.71261E-03 ppm1 4.404 ppm2 2.133 CV 1 ASSI { 1913} (( segid " " and resid 13 and name HA )) (( segid " " and resid 15 and name HB )) 3.500 1.500 1.500 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.15365E-02 ppm1 4.403 ppm2 2.257 CV 1 ASSI { 1916} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HN )) 2.600 0.800 0.800 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.44229E-02 ppm1 4.529 ppm2 8.613 CV 1 ASSI { 1918} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HN )) 3.300 1.400 1.400 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.94098E-03 ppm1 4.405 ppm2 8.225 CV 1 ASSI { 1920} (( segid " " and resid 5 and name HA )) ( segid " " and resid 6 and name HG2%) 3.500 1.600 1.600 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.12648E-02 ppm1 4.534 ppm2 1.408 CV 1 ASSI { 1922} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HG2 )) 2.800 1.000 1.000 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.16472E-02 ppm1 4.734 ppm2 1.617 CV 1 ASSI { 1923} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB2 )) 3.000 1.100 1.100 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.35076E-02 ppm1 4.624 ppm2 1.855 CV 1 ASSI { 1924} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG2 )) 2.500 0.800 0.800 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.48672E-02 ppm1 4.624 ppm2 1.746 CV 1 OR { 1924} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG1 )) ASSI { 1926} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HG1 )) 3.200 1.300 1.300 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.20495E-02 ppm1 4.740 ppm2 1.916 CV 1 ASSI { 1927} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB1 )) 2.400 0.700 0.700 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.45853E-02 ppm1 4.624 ppm2 2.078 CV 1 ASSI { 1928} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB1 )) 2.500 0.800 0.800 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.26458E-02 ppm1 4.739 ppm2 2.168 CV 1 ASSI { 1930} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB1 )) 2.200 0.600 0.600 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.13308E-01 ppm1 4.731 ppm2 2.830 CV 1 OR { 1930} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) ASSI { 1931} (( segid " " and resid 20 and name HA )) (( segid " " and resid 21 and name HN )) 2.400 0.700 0.700 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.67160E-02 ppm1 4.475 ppm2 8.252 CV 1 ASSI { 1933} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HN )) 2.700 0.900 0.900 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.35102E-02 ppm1 4.475 ppm2 8.507 CV 1 ASSI { 1936} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HN )) 2.900 1.000 1.000 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.21058E-02 ppm1 4.631 ppm2 8.287 CV 1 ASSI { 1937} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HN )) 2.900 1.000 1.000 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.21058E-02 ppm1 4.631 ppm2 8.287 CV 1 ASSI { 1940} (( segid " " and resid 8 and name HA )) ( segid " " and resid 30 and name HE% ) 3.800 1.800 1.800 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.44733E-03 ppm1 4.633 ppm2 7.201 CV 1 ASSI { 1941} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HD2 )) 2.800 1.000 1.000 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.40534E-02 ppm1 4.655 ppm2 3.563 CV 1 ASSI { 1942} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HD1 )) 2.000 0.500 0.500 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.72358E-02 ppm1 4.656 ppm2 4.007 CV 1 ASSI { 1943} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HB1 )) 2.400 0.700 0.700 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.77650E-02 ppm1 4.630 ppm2 2.713 CV 1 OR { 1943} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HB2 )) ASSI { 1947} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB2 )) 2.400 0.700 0.700 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.46390E-02 ppm1 4.760 ppm2 3.010 CV 1 ASSI { 1948} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB1 )) 2.400 0.700 0.700 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.53077E-02 ppm1 4.759 ppm2 3.292 CV 1 ASSI { 1949} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name HB1 )) 3.000 1.100 1.100 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.33873E-02 ppm1 4.761 ppm2 1.778 CV 1 OR { 1949} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name HG )) ASSI { 1951} (( segid " " and resid 30 and name HA )) ( segid " " and resid 33 and name HD1%) 4.600 2.600 1.400 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.66682E-03 ppm1 4.765 ppm2 0.951 CV 1 ASSI { 1958} (( segid " " and resid 30 and name HA )) ( segid " " and resid 30 and name HD% ) 3.900 1.900 1.900 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.12107E-02 ppm1 4.760 ppm2 7.314 CV 1 ASSI { 1959} (( segid " " and resid 8 and name HA )) (( segid " " and resid 30 and name HZ )) 3.900 1.900 1.900 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.74540E-03 ppm1 4.631 ppm2 7.314 CV 1 OR { 1959} (( segid " " and resid 8 and name HA )) ( segid " " and resid 30 and name HD% ) ASSI { 1963} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HB )) 2.100 0.500 0.500 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.91166E-02 ppm1 1.218 ppm2 2.407 CV 1 ASSI { 1964} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 73 and name HB2 )) 3.900 1.900 1.900 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.10078E-02 ppm1 1.220 ppm2 2.275 CV 1 ASSI { 1966} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HA )) 2.400 0.700 0.700 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.71509E-02 ppm1 1.041 ppm2 3.911 CV 1 ASSI { 1967} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HB2 )) 2.500 0.800 0.800 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.30461E-02 ppm1 1.220 ppm2 1.699 CV 1 ASSI { 1974} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HN )) 3.100 1.200 1.200 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.13783E-02 ppm1 3.960 ppm2 8.324 CV 1 ASSI { 1979} (( segid " " and resid 7 and name HB )) (( segid " " and resid 8 and name HN )) 2.800 1.000 1.000 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.23472E-02 ppm1 4.327 ppm2 8.287 CV 1 ASSI { 1980} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HN )) 3.200 1.300 1.300 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.12676E-02 ppm1 3.870 ppm2 8.090 CV 1 ASSI { 1981} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HN )) 3.900 1.900 1.900 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.38789E-03 ppm1 3.870 ppm2 8.291 CV 1 ASSI { 1982} (( segid " " and resid 7 and name HA )) (( segid " " and resid 30 and name HZ )) 4.200 2.200 1.800 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.43609E-03 ppm1 3.870 ppm2 7.349 CV 1 OR { 1982} (( segid " " and resid 7 and name HA )) ( segid " " and resid 30 and name HD% ) ASSI { 1983} (( segid " " and resid 7 and name HB )) (( segid " " and resid 30 and name HZ )) 4.600 2.700 1.400 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.37301E-03 ppm1 4.332 ppm2 7.327 CV 1 OR { 1983} (( segid " " and resid 7 and name HB )) ( segid " " and resid 30 and name HD% ) ASSI { 1984} (( segid " " and resid 7 and name HB )) ( segid " " and resid 30 and name HE% ) 4.400 2.400 1.600 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.38855E-03 ppm1 4.327 ppm2 7.199 CV 1 ASSI { 1985} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HN )) 3.700 1.700 1.700 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.49160E-03 ppm1 3.960 ppm2 8.131 CV 1 ASSI { 1990} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HB1 )) 2.800 1.000 1.000 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.17710E-02 ppm1 3.870 ppm2 2.343 CV 1 ASSI { 2001} (( segid " " and resid 48 and name HB )) ( segid " " and resid 48 and name HG2%) 2.500 0.800 0.800 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.40946E-02 ppm1 4.421 ppm2 1.115 CV 1 ASSI { 2002} (( segid " " and resid 48 and name HA )) ( segid " " and resid 48 and name HG2%) 2.600 0.800 0.800 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.46391E-02 ppm1 3.959 ppm2 1.116 CV 1 ASSI { 2007} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB )) 3.400 1.400 1.400 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.11356E-02 ppm1 3.962 ppm2 4.421 CV 1 ASSI { 2015} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HN )) 2.600 0.800 0.800 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.46450E-02 ppm1 4.459 ppm2 7.604 CV 1 ASSI { 2016} (( segid " " and resid 63 and name HA )) (( segid " " and resid 64 and name HN )) 3.000 1.100 1.100 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.23724E-02 ppm1 4.528 ppm2 7.397 CV 1 ASSI { 2019} (( segid " " and resid 81 and name HA )) (( segid " " and resid 82 and name HN )) 3.200 1.300 1.300 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.15410E-02 ppm1 4.460 ppm2 8.291 CV 1 ASSI { 2020} (( segid " " and resid 81 and name HA )) (( segid " " and resid 84 and name HN )) 3.600 1.600 1.600 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.68530E-03 ppm1 4.459 ppm2 7.770 CV 1 ASSI { 2023} (( segid " " and resid 86 and name HA )) ( segid " " and resid 86 and name HB% ) 3.100 1.200 1.200 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.17151E-02 ppm1 4.203 ppm2 1.487 CV 1 ASSI { 2024} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HB2 )) 3.500 1.500 1.500 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.11295E-02 ppm1 4.371 ppm2 3.006 CV 1 ASSI { 2026} (( segid " " and resid 81 and name HA )) (( segid " " and resid 84 and name HB2 )) 4.300 2.300 1.700 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.77406E-03 ppm1 4.457 ppm2 2.131 CV 1 ASSI { 2028} (( segid " " and resid 81 and name HA )) (( segid " " and resid 84 and name HG2 )) 3.900 1.900 1.900 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.66025E-03 ppm1 4.458 ppm2 2.482 CV 1 ASSI { 2029} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB2 )) 2.600 0.800 0.800 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.54353E-02 ppm1 4.718 ppm2 2.756 CV 1 ASSI { 2030} (( segid " " and resid 22 and name HA )) (( segid " " and resid 23 and name HN )) 2.100 0.600 0.600 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.15283E-01 ppm1 4.724 ppm2 8.488 CV 1 ASSI { 2031} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HN )) 2.800 0.900 0.900 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.34777E-02 ppm1 4.721 ppm2 8.614 CV 1 ASSI { 2032} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB1 )) 2.600 0.800 0.800 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.57806E-02 ppm1 5.048 ppm2 3.027 CV 1 ASSI { 2033} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB2 )) 3.000 1.100 1.100 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.21256E-02 ppm1 5.048 ppm2 2.353 CV 1 ASSI { 2038} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 74 and name HB2 )) 2.700 0.900 0.900 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.29843E-02 ppm1 1.131 ppm2 1.698 CV 1 ASSI { 2040} (( segid " " and resid 7 and name HA )) ( segid " " and resid 10 and name HD2%) 4.000 2.000 2.000 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.51285E-03 ppm1 3.874 ppm2 1.134 CV 1 ASSI { 2047} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HN )) 3.200 1.300 1.300 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.18356E-02 ppm1 2.404 ppm2 8.500 CV 1 OR { 2047} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 20 and name HN )) ASSI { 2048} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HN )) 3.800 1.800 1.800 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.17873E-02 ppm1 2.605 ppm2 8.514 CV 1 ASSI { 2050} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HN )) 2.600 0.800 0.800 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.31689E-02 ppm1 2.487 ppm2 9.558 CV 1 OR { 2050} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 36 and name HN )) ASSI { 2051} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 84 and name HN )) 3.900 1.900 1.900 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.11156E-02 ppm1 2.464 ppm2 7.749 CV 1 ASSI { 2052} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name HN )) 3.900 1.900 1.900 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.11156E-02 ppm1 2.464 ppm2 7.749 CV 1 ASSI { 2053} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 84 and name HA )) 3.100 1.200 1.200 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.16143E-02 ppm1 2.540 ppm2 4.384 CV 1 ASSI { 2060} (( segid " " and resid 20 and name HG2 )) ( segid " " and resid 21 and name HG2%) 4.800 2.900 1.200 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.36967E-03 ppm1 2.401 ppm2 1.229 CV 1 ASSI { 2063} (( segid " " and resid 66 and name HA2 )) (( segid " " and resid 66 and name HN )) 2.600 0.900 0.900 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.50272E-02 ppm1 3.886 ppm2 8.020 CV 1 ASSI { 2065} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 56 and name HD% ) 2.600 0.800 0.800 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.47692E-02 ppm1 3.454 ppm2 7.435 CV 1 ASSI { 2068} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 56 and name HN )) 3.500 1.500 1.500 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.20494E-02 ppm1 3.454 ppm2 8.144 CV 1 ASSI { 2069} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 56 and name HE% ) 4.600 2.600 1.400 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.44084E-03 ppm1 3.453 ppm2 6.815 CV 1 ASSI { 2070} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 56 and name HE% ) 4.700 2.700 1.300 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.43303E-03 ppm1 2.801 ppm2 6.813 CV 1 ASSI { 2071} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HA )) 3.800 1.800 1.800 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.71209E-03 ppm1 2.800 ppm2 4.686 CV 1 ASSI { 2082} (( segid " " and resid 38 and name HB )) (( segid " " and resid 38 and name HG12)) 3.200 1.200 1.200 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.13647E-02 ppm1 2.453 ppm2 1.541 CV 1 ASSI { 2083} (( segid " " and resid 38 and name HB )) ( segid " " and resid 24 and name HG2%) 3.800 1.800 1.800 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.48494E-03 ppm1 2.449 ppm2 1.267 CV 1 ASSI { 2085} (( segid " " and resid 38 and name HB )) (( segid " " and resid 35 and name HA )) 4.600 2.700 1.400 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.73011E-03 ppm1 2.459 ppm2 4.382 CV 1 ASSI { 2087} (( segid " " and resid 38 and name HB )) ( segid " " and resid 40 and name HD% ) 4.100 2.100 1.900 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.43720E-03 ppm1 2.465 ppm2 6.965 CV 1 ASSI { 2090} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HA )) 3.200 1.300 1.300 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.13082E-02 ppm1 2.894 ppm2 4.848 CV 1 ASSI { 2091} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HA )) 3.200 1.300 1.300 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.14048E-02 ppm1 2.681 ppm2 4.848 CV 1 ASSI { 2094} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 76 and name HN )) 2.800 0.900 0.900 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.26363E-02 ppm1 2.776 ppm2 8.713 CV 1 ASSI { 2095} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 76 and name HN )) 2.600 0.900 0.900 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.38517E-02 ppm1 2.718 ppm2 8.712 CV 1 ASSI { 2098} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 63 and name HN )) 3.400 1.400 1.400 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.20607E-02 ppm1 2.834 ppm2 8.610 CV 1 ASSI { 2099} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HN )) 2.800 1.000 1.000 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.19320E-02 ppm1 2.741 ppm2 8.609 CV 1 ASSI { 2102} (( segid " " and resid 26 and name HB1 )) ( segid " " and resid 30 and name HD% ) 4.000 2.000 2.000 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.44923E-03 ppm1 1.445 ppm2 7.312 CV 1 OR { 2102} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 30 and name HZ )) ASSI { 2103} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HG12)) 3.100 1.200 1.200 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.20029E-02 ppm1 1.797 ppm2 1.108 CV 1 ASSI { 2104} (( segid " " and resid 60 and name HB )) ( segid " " and resid 60 and name HG2%) 2.400 0.700 0.700 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.60269E-02 ppm1 1.797 ppm2 1.024 CV 1 ASSI { 2105} (( segid " " and resid 60 and name HB )) ( segid " " and resid 60 and name HD1%) 2.600 0.800 0.800 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.36081E-02 ppm1 1.797 ppm2 0.842 CV 1 ASSI { 2106} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HG11)) 2.400 0.700 0.700 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.37845E-02 ppm1 1.810 ppm2 1.491 CV 1 ASSI { 2107} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 43 and name HD1%) 2.700 0.900 0.900 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.38506E-02 ppm1 1.880 ppm2 1.030 CV 1 OR { 2107} (( segid " " and resid 43 and name HB1 )) ( segid " " and resid 43 and name HD2%) OR { 2107} (( segid " " and resid 43 and name HB1 )) ( segid " " and resid 43 and name HD1%) OR { 2107} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 43 and name HD2%) ASSI { 2108} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 69 and name HN )) 2.600 0.800 0.800 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.24978E-02 ppm1 2.875 ppm2 9.167 CV 1 ASSI { 2109} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HN )) 2.600 0.800 0.800 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.24978E-02 ppm1 2.875 ppm2 9.167 CV 1 ASSI { 2110} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 70 and name HN )) 3.500 1.800 1.800 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.84424E-03 ppm1 3.096 ppm2 4.100 CV 1 ASSI { 2111} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 70 and name HN )) 3.500 1.800 1.800 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.84424E-03 ppm1 3.096 ppm2 4.100 CV 1 ASSI { 2112} (( segid " " and resid 55 and name HD1 )) ( segid " " and resid 56 and name HE% ) 3.000 1.200 1.200 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.11296E-02 ppm1 3.095 ppm2 6.815 CV 1 ASSI { 2113} (( segid " " and resid 55 and name HD2 )) ( segid " " and resid 56 and name HE% ) 3.400 3.400 2.600 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.11374E-02 ppm1 3.016 ppm2 6.815 CV 1 ASSI { 2115} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HN )) 4.200 2.200 1.800 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.13407E-02 ppm1 3.351 ppm2 8.016 CV 1 OR { 2115} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HN )) ASSI { 2120} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 37 and name HN )) 4.300 2.300 1.700 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.79499E-03 ppm1 3.441 ppm2 7.563 CV 1 ASSI { 2121} (( segid " " and resid 11 and name HD1 )) ( segid " " and resid 30 and name HD% ) 2.900 1.100 1.100 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.29651E-02 ppm1 3.235 ppm2 7.311 CV 1 OR { 2121} (( segid " " and resid 11 and name HD2 )) ( segid " " and resid 30 and name HD% ) ASSI { 2124} (( segid " " and resid 11 and name HD1 )) ( segid " " and resid 30 and name HE% ) 3.100 1.200 1.200 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.12591E-02 ppm1 3.177 ppm2 7.198 CV 1 OR { 2124} (( segid " " and resid 11 and name HD2 )) ( segid " " and resid 30 and name HE% ) ASSI { 2136} (( segid " " and resid 28 and name HA2 )) (( segid " " and resid 28 and name HN )) 2.400 0.700 0.700 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.45455E-02 ppm1 3.884 ppm2 8.587 CV 1 ASSI { 2138} (( segid " " and resid 28 and name HA1 )) (( segid " " and resid 28 and name HN )) 3.000 1.100 1.100 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.37351E-02 ppm1 4.243 ppm2 8.584 CV 1 ASSI { 2139} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 40 and name HN )) 4.300 2.300 1.700 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.11531E-02 ppm1 4.266 ppm2 8.041 CV 1 ASSI { 2140} (( segid " " and resid 66 and name HA2 )) (( segid " " and resid 67 and name HN )) 3.500 1.500 1.500 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.11474E-02 ppm1 3.887 ppm2 7.497 CV 1 ASSI { 2141} (( segid " " and resid 66 and name HA1 )) (( segid " " and resid 67 and name HN )) 3.600 1.600 1.600 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.79578E-03 ppm1 4.129 ppm2 7.483 CV 1 ASSI { 2145} (( segid " " and resid 66 and name HA1 )) (( segid " " and resid 66 and name HN )) 2.400 0.700 0.700 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.34875E-02 ppm1 4.122 ppm2 8.019 CV 1 ASSI { 2146} (( segid " " and resid 39 and name HA2 )) (( segid " " and resid 39 and name HA1 )) 1.700 0.400 0.500 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.17194E-01 ppm1 3.890 ppm2 4.254 CV 1 ASSI { 2147} (( segid " " and resid 66 and name HA2 )) (( segid " " and resid 66 and name HA1 )) 1.600 0.300 0.600 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.16124E-01 ppm1 3.887 ppm2 4.115 CV 1 ASSI { 2151} ( segid " " and resid 19 and name HA1) (( segid " " and resid 18 and name HB%)) 3.000 1.900 2.800 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.26890E-03 ppm1 1.128 ppm2 8.008 CV 1 OR { 2481} ( segid " " and resid 19 and name HA2) (( segid " " and resid 18 and name HB%)) ASSI { 2158} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HN )) 3.000 1.100 1.100 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.10656E-02 ppm1 3.103 ppm2 9.562 CV 1 ASSI { 2164} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 35 and name HD% ) 2.700 0.900 0.900 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.24113E-02 ppm1 3.610 ppm2 7.122 CV 1 ASSI { 2166} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 35 and name HD% ) 2.500 0.800 0.800 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.29390E-02 ppm1 3.100 ppm2 7.124 CV 1 ASSI { 2169} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HB1 )) 1.800 0.400 0.400 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.80043E-02 ppm1 3.101 ppm2 3.604 CV 1 ASSI { 2173} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 40 and name HB1 )) 3.300 1.300 1.300 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.12839E-02 ppm1 3.609 ppm2 2.991 CV 1 ASSI { 2175} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HB2 )) 1.900 0.400 0.400 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.83927E-02 ppm1 3.090 ppm2 2.773 CV 1 ASSI { 2177} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 45 and name HD2%) 4.200 2.200 1.800 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.53443E-03 ppm1 3.103 ppm2 0.365 CV 1 ASSI { 2180} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HD22)) 3.500 1.500 1.500 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.21161E-02 ppm1 2.776 ppm2 7.669 CV 1 ASSI { 2184} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HA )) 3.300 1.400 1.400 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.48954E-03 ppm1 3.089 ppm2 4.928 CV 1 ASSI { 2185} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HA )) 3.500 1.600 1.600 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.91654E-03 ppm1 2.775 ppm2 4.898 CV 1 ASSI { 2196} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HN )) 2.300 0.700 0.700 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.44457E-02 ppm1 1.948 ppm2 8.282 CV 1 ASSI { 2200} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HN )) 3.000 1.100 1.100 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.14321E-02 ppm1 2.488 ppm2 7.830 CV 1 ASSI { 2201} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 74 and name HN )) 4.700 2.800 1.300 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.40017E-03 ppm1 2.639 ppm2 7.708 CV 1 ASSI { 2203} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 70 and name HN )) 4.000 2.000 2.000 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.57717E-03 ppm1 2.490 ppm2 7.471 CV 1 ASSI { 2204} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 74 and name HN )) 4.400 2.500 1.600 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.58965E-03 ppm1 2.484 ppm2 7.709 CV 1 ASSI { 2206} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 16 and name HA )) 3.000 1.100 1.100 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.23586E-02 ppm1 2.403 ppm2 4.196 CV 1 ASSI { 2207} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HA )) 2.900 1.000 1.000 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.20070E-02 ppm1 2.490 ppm2 4.236 CV 1 ASSI { 2208} (( segid " " and resid 78 and name HB )) (( segid " " and resid 75 and name HA )) 2.700 0.900 0.900 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.12195E-02 ppm1 1.948 ppm2 3.886 CV 1 ASSI { 2209} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HA )) 2.800 1.000 1.000 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.18448E-02 ppm1 1.947 ppm2 3.744 CV 1 ASSI { 2211} (( segid " " and resid 78 and name HB )) ( segid " " and resid 5 and name HD1%) 3.500 1.500 1.500 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.10547E-02 ppm1 1.952 ppm2 0.612 CV 1 ASSI { 2214} (( segid " " and resid 73 and name HG2 )) ( segid " " and resid 68 and name HG1%) 4.400 2.400 1.600 peak 2214 spectrum 1 weight 0.10000E+01 volume 0.92831E-03 ppm1 2.485 ppm2 1.117 CV 1 ASSI { 2216} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 56 and name HB2 )) 1.600 0.300 0.600 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.12685E-01 ppm1 3.454 ppm2 2.793 CV 1 ASSI { 2218} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 56 and name HB2 )) 2.300 0.700 0.700 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.43634E-02 ppm1 7.442 ppm2 2.793 CV 1 ASSI { 2228} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 5 and name HD1%) 3.200 1.300 1.300 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.12500E-02 ppm1 7.442 ppm2 0.644 CV 1 OR { 2228} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 5 and name HD2%) ASSI { 2232} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 56 and name HE% ) 2.000 0.500 0.500 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.10767E-01 ppm1 7.442 ppm2 6.811 CV 1 ASSI { 2233} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 56 and name HN )) 2.900 1.000 1.000 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.25643E-02 ppm1 7.442 ppm2 8.145 CV 1 ASSI { 2234} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 30 and name HN )) 2.600 0.800 0.800 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.27194E-02 ppm1 7.317 ppm2 8.069 CV 1 ASSI { 2241} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 26 and name HD1%) 3.700 1.700 1.700 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.92465E-03 ppm1 7.315 ppm2 0.691 CV 1 ASSI { 2242} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 31 and name HD1%) 4.700 2.800 1.300 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.36464E-03 ppm1 7.315 ppm2 0.443 CV 1 ASSI { 2247} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 38 and name HD1%) 3.400 1.400 1.400 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.15939E-02 ppm1 6.974 ppm2 0.876 CV 1 ASSI { 2251} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 35 and name HA )) 4.400 2.400 1.600 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.79475E-03 ppm1 6.972 ppm2 4.374 CV 1 ASSI { 2252} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 45 and name HA )) 3.300 1.300 1.300 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.72485E-03 ppm1 6.974 ppm2 3.904 CV 1 ASSI { 2254} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 40 and name HE% ) 1.800 0.400 0.400 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.18774E-01 ppm1 6.974 ppm2 6.733 CV 1 ASSI { 2255} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HN )) 3.300 1.300 1.300 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.16201E-02 ppm1 6.974 ppm2 8.048 CV 1 ASSI { 2262} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 30 and name HD% ) 2.400 0.700 0.700 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.35783E-02 ppm1 7.218 ppm2 7.320 CV 1 OR { 2262} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 30 and name HZ )) ASSI { 2263} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 35 and name HE% ) 2.100 0.500 0.500 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.86897E-02 ppm1 7.128 ppm2 6.924 CV 1 ASSI { 2274} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 71 and name HA )) 3.700 1.700 1.700 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.80943E-03 ppm1 6.937 ppm2 4.231 CV 1 ASSI { 2277} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 68 and name HG2%) 3.500 1.500 1.500 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.56263E-03 ppm1 6.934 ppm2 1.219 CV 1 ASSI { 2287} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 5 and name HD1%) 2.800 1.000 1.000 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.24892E-02 ppm1 6.820 ppm2 0.649 CV 1 OR { 2287} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 5 and name HD2%) ASSI { 2289} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 14 and name HB2 )) 4.200 2.200 1.800 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.76876E-03 ppm1 6.742 ppm2 1.415 CV 1 ASSI { 2293} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 14 and name HD1%) 2.700 0.900 0.900 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.27193E-02 ppm1 6.742 ppm2 0.768 CV 1 ASSI { 2296} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 13 and name HB% ) 4.200 2.200 1.800 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.93821E-03 ppm1 6.822 ppm2 1.634 CV 1 ASSI { 2299} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HD1 )) 3.300 1.400 1.400 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.82670E-03 ppm1 6.821 ppm2 3.083 CV 1 OR { 2299} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HD2 )) ASSI { 2302} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 52 and name HA )) 3.900 1.900 1.900 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.91353E-03 ppm1 6.822 ppm2 4.318 CV 1 ASSI { 2303} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 5 and name HA )) 4.300 2.300 1.700 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.32529E-03 ppm1 6.818 ppm2 4.521 CV 1 ASSI { 2305} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 18 and name HA )) 3.300 1.400 1.400 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.12470E-02 ppm1 6.741 ppm2 4.376 CV 1 ASSI { 2309} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 56 and name HN )) 4.200 2.200 1.800 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.53546E-03 ppm1 6.822 ppm2 8.140 CV 1 ASSI { 2312} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 10 and name HB1 )) 3.600 1.600 1.600 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.34998E-03 ppm1 7.352 ppm2 2.342 CV 1 ASSI { 2313} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HB2 )) 3.200 1.300 1.300 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.10264E-02 ppm1 7.351 ppm2 2.038 CV 1 OR { 2313} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HB1 )) ASSI { 2318} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 31 and name HD1%) 4.700 2.800 1.300 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.39392E-03 ppm1 7.349 ppm2 0.442 CV 1 ASSI { 2328} (( segid " " and resid 35 and name HZ )) (( segid " " and resid 74 and name HB2 )) 3.500 1.500 1.500 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.56474E-03 ppm1 6.884 ppm2 1.692 CV 1 ASSI { 2331} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 74 and name HD1%) 3.300 1.400 1.400 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.14413E-02 ppm1 6.884 ppm2 0.981 CV 1 OR { 2331} (( segid " " and resid 35 and name HZ )) (( segid " " and resid 74 and name HG )) ASSI { 2336} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 68 and name HG2%) 4.700 2.700 1.300 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.18701E-03 ppm1 6.884 ppm2 1.219 CV 1 ASSI { 2352} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 69 and name HN )) 3.600 1.700 1.700 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.91335E-03 ppm1 1.218 ppm2 9.166 CV 1 ASSI { 2354} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HG12)) 2.500 0.800 0.800 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.21865E-02 ppm1 1.950 ppm2 1.294 CV 1 ASSI { 2359} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 83 and name HN )) 4.400 2.400 1.600 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.16003E-03 ppm1 2.130 ppm2 7.953 CV 1 ASSI { 2361} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 69 and name HN )) 4.400 2.500 1.600 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.52402E-03 ppm1 2.467 ppm2 9.166 CV 1 ASSI { 2363} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HG2 )) 3.400 1.400 1.400 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 4.383 ppm2 2.468 CV 1 ASSI { 2368} (( segid " " and resid 58 and name HG1% )) (( segid " " and resid 58 and name HB )) 3.400 1.400 1.400 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 4.383 ppm2 2.468 CV 1 ASSI { 2400} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HA )) 4.200 1.500 1.500 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 4.383 ppm2 2.468 CV 1 ASSI { 2401} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HA )) 4.200 1.200 1.200 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 4.383 ppm2 2.468 CV 1 ASSI { 2426} (( segid " " and resid 65 and name HB% )) (( segid " " and resid 60 and name HB )) 4.000 0.800 0.800 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 4.383 ppm2 2.468 CV 1 ASSI { 2427} (( segid " " and resid 65 and name HB% )) (( segid " " and resid 60 and name HG2% )) 3.200 0.800 0.800 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 4.383 ppm2 2.468 CV 1 ASSI { 2429} (( segid " " and resid 65 and name HB% )) (( segid " " and resid 60 and name HD1% )) 4.800 1.000 1.200 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 4.383 ppm2 2.468 CV 1 ASSI { 2434} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 31 and name HD1% )) 4.200 1.000 1.200 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 4.383 ppm2 2.468 CV 1 ASSI { 2441} (( segid " " and resid 60 and name HG2% )) (( segid " " and resid 60 and name HB )) 2.800 0.800 0.800 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 4.383 ppm2 2.468 CV 1 ASSI { 2442} (( segid " " and resid 52 and name HD1% )) (( segid " " and resid 52 and name HG )) 2.800 0.800 0.800 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 4.383 ppm2 2.468 CV 1 ASSI { 2443} (( segid " " and resid 52 and name HD2% )) (( segid " " and resid 52 and name HG )) 2.800 0.800 0.800 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 4.383 ppm2 2.468 CV 1 ASSI { 2446} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HN )) 2.800 0.800 0.800 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 4.383 ppm2 2.468 CV 1 ASSI { 2447} (( segid " " and resid 82 and name HA )) (( segid " " and resid 86 and name HN )) 3.500 1.000 1.000 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 4.383 ppm2 2.468 CV 1 ASSI { 2443} (( segid " " and resid 82 and name HA )) (( segid " " and resid 85 and name HN )) 3.500 1.000 1.000 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 4.383 ppm2 2.468 CV 1 ASSI { 2450} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 83 and name HB% )) 4.700 1.000 1.000 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 4.383 ppm2 2.468 CV 1 ASSI { 2451} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 83 and name HB% )) 4.200 1.800 1.000 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 4.383 ppm2 2.468 CV 1 ASSI { 2453} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HA )) 2.800 1.000 1.000 peak 2453 spectrum 1 weight 0.10000E+01 volume 0.11156E-02 ppm1 2.464 ppm2 7.749 CV 1 ASSI { 2454} (( segid " " and resid 85 and name HB% )) (( segid " " and resid 86 and name HN )) 2.800 1.000 1.000 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.11156E-02 ppm1 2.464 ppm2 7.749 CV 1 ASSI { 2456} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HB1 )) 2.800 1.000 1.000 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.11156E-02 ppm1 2.464 ppm2 7.749 CV 1 OR { 2456} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HB1 )) ASSI { 2460} (( segid " " and resid 61 and name HB2 )) ( segid " " and resid 64 and name HN ) 2.600 0.800 0.800 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.78335E-03 ppm1 2.262 ppm2 7.318 CV 1 ASSI { 2461} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 30 and name HD% ) 3.600 1.600 1.600 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.78335E-03 ppm1 2.262 ppm2 7.318 CV 1 OR { 2461} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 30 and name HZ )) ASSI { 2463} (( segid " " and resid 67 and name HB1 )) ( segid " " and resid 68 and name HN ) 3.800 1.600 1.600 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.78335E-03 ppm1 2.262 ppm2 7.318 CV 1 ASSI { 2464} (( segid " " and resid 67 and name HB2 )) ( segid " " and resid 68 and name HN ) 3.800 1.600 1.600 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.78335E-03 ppm1 2.262 ppm2 7.318 CV 1 ASSI { 2466} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 35 and name HZ ) 3.800 1.600 1.600 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.78335E-03 ppm1 2.262 ppm2 7.318 CV 1 ASSI { 2469} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 35 and name HD% ) 4.500 1.200 1.500 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.13221E-02 ppm1 1.222 ppm2 7.122 CV 1 ASSI { 2470} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 77 and name HN )) 4.200 1.900 1.800 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.26890E-03 ppm1 1.128 ppm2 8.008 CV 1 ASSI { 2474} ( segid " " and resid 69 and name HB1) (( segid " " and resid 68 and name HA )) 4.200 1.900 1.800 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.26890E-03 ppm1 1.128 ppm2 8.008 CV 1 ASSI { 2475} ( segid " " and resid 69 and name HB2) (( segid " " and resid 68 and name HA )) 4.200 1.900 1.800 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.26890E-03 ppm1 1.128 ppm2 8.008 CV 1 ASSI { 2477} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 53 and name HA )) 4.000 1.900 1.800 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.26890E-03 ppm1 1.128 ppm2 8.008 CV 1 ASSI { 2481} ( segid " " and resid 23 and name HA1) (( segid " " and resid 21 and name HG2%)) 3.000 1.900 2.800 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.26890E-03 ppm1 1.128 ppm2 8.008 CV 1 OR { 2481} ( segid " " and resid 23 and name HA2) (( segid " " and resid 21 and name HG2%)) ASSI { 2484} ( segid " " and resid 23 and name HA1) (( segid " " and resid 15 and name HG1%)) 3.000 1.900 2.800 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.26890E-03 ppm1 1.128 ppm2 8.008 CV 1 OR { 2484} ( segid " " and resid 23 and name HA2) (( segid " " and resid 15 and name HG1%)) ASSI { 2485} ( segid " " and resid 23 and name HA1) (( segid " " and resid 22 and name HB1)) 3.000 1.900 2.800 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.26890E-03 ppm1 1.128 ppm2 8.008 CV 1 OR { 2485} ( segid " " and resid 23 and name HA1) (( segid " " and resid 22 and name HB2)) OR { 2485} ( segid " " and resid 23 and name HA2) (( segid " " and resid 22 and name HB1)) OR { 2485} ( segid " " and resid 23 and name HA2) (( segid " " and resid 22 and name HB2)) ASSI { 2488} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 82 and name HN)) 3.200 1.900 2.800 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.26890E-03 ppm1 1.128 ppm2 8.008 CV 1 ASSI { 2} ( segid " " and resid 42 and name H31%) (( segid " " and resid 42 and name H28A)) 2.500 2.500 3.500 peak 2 spectrum 1 weight 0.11000E+01 volume 0.23194E-01 ppm1 1.060 ppm2 3.891 CV 1 OR { 2} ( segid " " and resid 42 and name H31%) (( segid " " and resid 42 and name H28B)) ASSI { 3} ( segid " " and resid 42 and name H30%) (( segid " " and resid 42 and name H28B)) 2.200 2.200 3.800 peak 3 spectrum 1 weight 0.11000E+01 volume 0.44192E-01 ppm1 0.920 ppm2 3.892 CV 1 OR { 3} ( segid " " and resid 42 and name H30%) (( segid " " and resid 42 and name H28A)) ASSI { 11} ( segid " " and resid 42 and name H30%) (( segid " " and resid 42 and name HA )) 2.200 2.200 3.800 peak 11 spectrum 1 weight 0.11000E+01 volume 0.94280E-02 ppm1 0.920 ppm2 4.244 CV 1 OR { 11} ( segid " " and resid 42 and name H30%) (( segid " " and resid 43 and name HA )) ASSI { 12} ( segid " " and resid 42 and name H31%) (( segid " " and resid 42 and name HB2 )) 3.600 3.600 2.400 peak 12 spectrum 1 weight 0.11000E+01 volume 0.82222E-02 ppm1 1.059 ppm2 4.323 CV 1 ASSI { 13} ( segid " " and resid 42 and name H30%) (( segid " " and resid 42 and name HB2 )) 3.400 3.400 2.600 peak 13 spectrum 1 weight 0.11000E+01 volume 0.35571E-02 ppm1 0.920 ppm2 4.323 CV 1 ASSI { 14} ( segid " " and resid 42 and name H31%) (( segid " " and resid 42 and name HA )) 2.100 2.100 3.900 peak 14 spectrum 1 weight 0.11000E+01 volume 0.96446E-02 ppm1 1.060 ppm2 4.244 CV 1 OR { 14} ( segid " " and resid 42 and name H31%) (( segid " " and resid 43 and name HA )) ASSI { 18} ( segid " " and resid 42 and name H30%) (( segid " " and resid 42 and name H37B)) 4.800 4.800 1.200 peak 18 spectrum 1 weight 0.11000E+01 volume 0.28666E-02 ppm1 0.917 ppm2 3.597 CV 1 OR { 18} ( segid " " and resid 42 and name H30%) (( segid " " and resid 42 and name H37A)) ASSI { 22} ( segid " " and resid 42 and name H31%) (( segid " " and resid 42 and name H36A)) 3.500 1.500 1.500 peak 22 spectrum 1 weight 0.11000E+01 volume 0.95978E-02 ppm1 1.059 ppm2 8.094 CV 1 ASSI { 24} ( segid " " and resid 42 and name H31%) (( segid " " and resid 42 and name H41A)) 4.600 2.600 1.400 peak 24 spectrum 1 weight 0.11000E+01 volume 0.29033E-02 ppm1 1.062 ppm2 8.280 CV 1 ASSI { 26} ( segid " " and resid 42 and name H30%) (( segid " " and resid 42 and name H41A)) 4.500 4.500 1.500 peak 26 spectrum 1 weight 0.11000E+01 volume 0.30102E-02 ppm1 0.919 ppm2 8.262 CV 1 ASSI { 43} (( segid " " and resid 42 and name H32A)) (( segid " " and resid 42 and name H36A)) 2.600 0.800 0.800 peak 43 spectrum 1 weight 0.11000E+01 volume 0.32953E-01 ppm1 4.103 ppm2 8.095 CV 1 ASSI { 45} (( segid " " and resid 42 and name H36A)) ( segid " " and resid 42 and name H30%) 4.100 2.100 1.900 peak 45 spectrum 1 weight 0.11000E+01 volume 0.71236E-02 ppm1 8.094 ppm2 0.914 CV 1 ASSI { 118} ( segid " " and resid 42 and name H31%) (( segid " " and resid 42 and name H37B)) 3.300 3.300 2.700 peak 118 spectrum 1 weight 0.11000E+01 volume 0.64905E-02 ppm1 1.059 ppm2 3.597 CV 1 OR { 118} ( segid " " and resid 42 and name H31%) (( segid " " and resid 42 and name H37A)) ASSI { 127} (( segid " " and resid 42 and name H38A)) (( segid " " and resid 42 and name H37B)) 2.300 0.700 0.700 peak 127 spectrum 1 weight 0.11000E+01 volume 0.31956E-01 ppm1 2.577 ppm2 3.615 CV 1 OR { 127} (( segid " " and resid 42 and name H38A)) (( segid " " and resid 42 and name H37A)) OR { 127} (( segid " " and resid 42 and name H38B)) (( segid " " and resid 42 and name H37B)) OR { 127} (( segid " " and resid 42 and name H38B)) (( segid " " and resid 42 and name H37A)) ASSI { 131} (( segid " " and resid 42 and name H32A)) ( segid " " and resid 42 and name H31%) 2.300 0.600 0.600 peak 131 spectrum 1 weight 0.11000E+01 volume 0.38988E-01 ppm1 4.102 ppm2 1.056 CV 1 ASSI { 132} (( segid " " and resid 42 and name H28B)) ( segid " " and resid 42 and name H31%) 3.400 1.500 1.500 peak 132 spectrum 1 weight 0.11000E+01 volume 0.10343E-01 ppm1 3.887 ppm2 1.055 CV 1 ASSI { 133} (( segid " " and resid 42 and name H32A)) ( segid " " and resid 42 and name H30%) 2.600 0.800 0.800 peak 133 spectrum 1 weight 0.11000E+01 volume 0.18851E-01 ppm1 4.103 ppm2 0.914 CV 1 ASSI { 134} (( segid " " and resid 42 and name H28B)) ( segid " " and resid 42 and name H30%) 2.400 0.700 0.700 peak 134 spectrum 1 weight 0.11000E+01 volume 0.17835E-01 ppm1 3.887 ppm2 0.914 CV 1 ASSI { 136} (( segid " " and resid 42 and name H42A)) ( segid " " and resid 42 and name H30%) 2.100 0.600 0.600 peak 136 spectrum 1 weight 0.11000E+01 volume 0.11015E-01 ppm1 3.448 ppm2 0.915 CV 1 OR { 136} (( segid " " and resid 42 and name H42B)) ( segid " " and resid 42 and name H30%) ASSI { 140} (( segid " " and resid 42 and name H42A)) (( segid " " and resid 42 and name H28A)) 1.700 1.700 4.300 peak 140 spectrum 1 weight 0.11000E+01 volume 0.46235E-01 ppm1 3.447 ppm2 3.892 CV 1 OR { 140} (( segid " " and resid 42 and name H42B)) (( segid " " and resid 42 and name H28A)) ASSI { 141} (( segid " " and resid 42 and name H36A)) (( segid " " and resid 42 and name H38B)) 2.700 0.900 0.900 peak 141 spectrum 1 weight 0.11000E+01 volume 0.97930E-02 ppm1 8.092 ppm2 2.575 CV 1 OR { 141} (( segid " " and resid 42 and name H36A)) (( segid " " and resid 42 and name H38A)) ASSI { 142} (( segid " " and resid 42 and name H36A)) (( segid " " and resid 42 and name H37A)) 2.600 2.600 3.400 peak 142 spectrum 1 weight 0.11000E+01 volume 0.12630E-01 ppm1 8.088 ppm2 3.608 CV 1 OR { 142} (( segid " " and resid 42 and name H36A)) (( segid " " and resid 42 and name H37B)) ASSI { 144} (( segid " " and resid 42 and name H41A)) (( segid " " and resid 42 and name H38B)) 2.400 0.800 0.800 peak 144 spectrum 1 weight 0.11000E+01 volume 0.14182E-01 ppm1 8.263 ppm2 2.574 CV 1 OR { 144} (( segid " " and resid 42 and name H41A)) (( segid " " and resid 42 and name H38A)) ASSI { 145} (( segid " " and resid 42 and name H41A)) (( segid " " and resid 42 and name H42A)) 2.800 1.000 1.000 peak 145 spectrum 1 weight 0.11000E+01 volume 0.88883E-02 ppm1 8.266 ppm2 3.462 CV 1 OR { 145} (( segid " " and resid 42 and name H41A)) (( segid " " and resid 42 and name H42B))
Contact the webmaster for help, if required. Saturday, June 8, 2024 7:44:56 AM GMT (wattos1)