NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
526159 | 2l7a | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1} (( segid " " and resid 813 and name HA )) (( segid " " and resid 813 and name HB3 )) 2.500 0.800 0.800 peak 1 spectrum 1 weight 0.10000E+01 volume 0.40398E-02 ppm1 4.062 ppm2 3.166 CV 1 ASSI { 2} (( segid " " and resid 813 and name HA )) (( segid " " and resid 816 and name HG2 )) 3.200 1.200 1.200 peak 2 spectrum 1 weight 0.10000E+01 volume 0.14353E-02 ppm1 4.063 ppm2 2.605 CV 1 OR { 2} (( segid " " and resid 813 and name HA )) (( segid " " and resid 816 and name HG3 )) ASSI { 3} (( segid " " and resid 813 and name HB2 )) (( segid " " and resid 810 and name HA )) 3.300 1.400 1.400 peak 3 spectrum 1 weight 0.10000E+01 volume 0.96512E-03 ppm1 3.171 ppm2 4.144 CV 1 ASSI { 4} (( segid " " and resid 813 and name HB3 )) (( segid " " and resid 813 and name HA )) 2.900 1.000 1.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.21932E-02 ppm1 3.164 ppm2 4.061 CV 1 OR { 4} (( segid " " and resid 813 and name HB2 )) (( segid " " and resid 813 and name HA )) ASSI { 5} (( segid " " and resid 813 and name HB2 )) (( segid " " and resid 813 and name HA )) 3.200 1.300 1.300 peak 5 spectrum 1 weight 0.10000E+01 volume 0.19612E-02 ppm1 3.141 ppm2 4.062 CV 1 ASSI { 6} (( segid " " and resid 813 and name HA )) ( segid " " and resid 816 and name HE% ) 3.100 1.200 1.200 peak 6 spectrum 1 weight 0.10000E+01 volume 0.17075E-02 ppm1 4.063 ppm2 1.992 CV 1 ASSI { 7} (( segid " " and resid 813 and name HA )) (( segid " " and resid 816 and name HB2 )) 3.400 1.500 1.500 peak 7 spectrum 1 weight 0.10000E+01 volume 0.62486E-03 ppm1 4.062 ppm2 2.080 CV 1 ASSI { 8} (( segid " " and resid 813 and name HA )) ( segid " " and resid 822 and name HE% ) 4.000 2.000 2.000 peak 8 spectrum 1 weight 0.10000E+01 volume 0.43924E-03 ppm1 4.066 ppm2 1.875 CV 1 ASSI { 9} (( segid " " and resid 813 and name HA )) ( segid " " and resid 812 and name HG2%) 3.100 1.200 1.200 peak 9 spectrum 1 weight 0.10000E+01 volume 0.12033E-02 ppm1 4.065 ppm2 0.496 CV 1 ASSI { 11} (( segid " " and resid 813 and name HA )) (( segid " " and resid 813 and name H )) 2.700 0.900 0.900 peak 11 spectrum 1 weight 0.10000E+01 volume 0.27252E-02 ppm1 4.062 ppm2 7.273 CV 1 ASSI { 12} (( segid " " and resid 813 and name HB3 )) ( segid " " and resid 813 and name HD% ) 3.000 1.100 1.100 peak 12 spectrum 1 weight 0.10000E+01 volume 0.15745E-02 ppm1 3.163 ppm2 7.329 CV 1 OR { 12} (( segid " " and resid 813 and name HB2 )) ( segid " " and resid 813 and name HD% ) ASSI { 13} (( segid " " and resid 813 and name HB2 )) (( segid " " and resid 813 and name H )) 2.800 1.000 1.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.22983E-02 ppm1 3.171 ppm2 7.273 CV 1 OR { 13} (( segid " " and resid 813 and name HB3 )) (( segid " " and resid 813 and name H )) ASSI { 15} (( segid " " and resid 813 and name HA )) (( segid " " and resid 814 and name H )) 3.400 1.400 1.400 peak 15 spectrum 1 weight 0.10000E+01 volume 0.10301E-02 ppm1 4.062 ppm2 8.522 CV 1 ASSI { 16} (( segid " " and resid 813 and name HB2 )) (( segid " " and resid 814 and name H )) 3.200 1.200 1.200 peak 16 spectrum 1 weight 0.10000E+01 volume 0.12992E-02 ppm1 3.168 ppm2 8.522 CV 1 OR { 16} (( segid " " and resid 813 and name HB3 )) (( segid " " and resid 814 and name H )) ASSI { 17} (( segid " " and resid 814 and name HA )) (( segid " " and resid 815 and name H )) 3.200 1.300 1.300 peak 17 spectrum 1 weight 0.10000E+01 volume 0.15899E-02 ppm1 4.351 ppm2 7.457 CV 1 ASSI { 18} (( segid " " and resid 814 and name HA )) (( segid " " and resid 814 and name H )) 2.600 0.800 0.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.42811E-02 ppm1 4.351 ppm2 8.522 CV 1 ASSI { 19} (( segid " " and resid 814 and name HB3 )) (( segid " " and resid 814 and name H )) 2.700 0.900 0.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.32758E-02 ppm1 4.027 ppm2 8.522 CV 1 ASSI { 20} (( segid " " and resid 814 and name HB2 )) (( segid " " and resid 814 and name H )) 2.700 0.900 0.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.31459E-02 ppm1 3.959 ppm2 8.522 CV 1 ASSI { 21} (( segid " " and resid 814 and name HB3 )) (( segid " " and resid 815 and name H )) 3.300 1.300 1.300 peak 21 spectrum 1 weight 0.10000E+01 volume 0.92487E-03 ppm1 4.028 ppm2 7.458 CV 1 ASSI { 22} (( segid " " and resid 814 and name HB2 )) (( segid " " and resid 815 and name H )) 3.700 1.700 1.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.10517E-02 ppm1 3.959 ppm2 7.457 CV 1 ASSI { 23} (( segid " " and resid 858 and name HB2 )) (( segid " " and resid 859 and name H )) 2.900 1.000 1.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.26757E-02 ppm1 3.947 ppm2 7.783 CV 1 OR { 23} (( segid " " and resid 858 and name HB3 )) (( segid " " and resid 859 and name H )) ASSI { 26} (( segid " " and resid 858 and name HB2 )) (( segid " " and resid 858 and name H )) 2.400 0.700 0.700 peak 26 spectrum 1 weight 0.10000E+01 volume 0.60412E-02 ppm1 3.926 ppm2 8.237 CV 1 OR { 26} (( segid " " and resid 858 and name HB3 )) (( segid " " and resid 858 and name H )) ASSI { 27} (( segid " " and resid 834 and name HB2 )) (( segid " " and resid 835 and name H )) 2.800 1.000 1.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.29943E-02 ppm1 3.953 ppm2 8.118 CV 1 OR { 27} (( segid " " and resid 834 and name HB3 )) (( segid " " and resid 835 and name H )) ASSI { 28} (( segid " " and resid 853 and name HB3 )) (( segid " " and resid 854 and name H )) 3.300 1.400 1.400 peak 28 spectrum 1 weight 0.10000E+01 volume 0.96512E-03 ppm1 3.930 ppm2 8.045 CV 1 OR { 28} (( segid " " and resid 853 and name HB2 )) (( segid " " and resid 854 and name H )) ASSI { 30} (( segid " " and resid 848 and name HB2 )) (( segid " " and resid 848 and name H )) 2.900 1.000 1.000 peak 30 spectrum 1 weight 0.10000E+01 volume 0.22457E-02 ppm1 3.900 ppm2 8.375 CV 1 ASSI { 33} (( segid " " and resid 853 and name HA )) (( segid " " and resid 857 and name H )) 3.600 1.600 1.600 peak 33 spectrum 1 weight 0.10000E+01 volume 0.85993E-03 ppm1 4.022 ppm2 8.264 CV 1 ASSI { 36} (( segid " " and resid 814 and name HA )) (( segid " " and resid 816 and name H )) 3.400 1.400 1.400 peak 36 spectrum 1 weight 0.10000E+01 volume 0.10177E-02 ppm1 4.350 ppm2 7.043 CV 1 ASSI { 37} (( segid " " and resid 814 and name HA )) (( segid " " and resid 814 and name HB3 )) 2.700 0.900 0.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.43182E-02 ppm1 4.351 ppm2 4.030 CV 1 ASSI { 38} (( segid " " and resid 814 and name HA )) (( segid " " and resid 814 and name HB2 )) 2.500 0.800 0.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.52957E-02 ppm1 4.351 ppm2 3.958 CV 1 ASSI { 39} (( segid " " and resid 814 and name HB3 )) (( segid " " and resid 811 and name HA )) 2.800 1.000 1.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.22334E-02 ppm1 4.028 ppm2 4.474 CV 1 ASSI { 41} (( segid " " and resid 814 and name HB2 )) (( segid " " and resid 811 and name HA )) 3.000 1.200 1.200 peak 41 spectrum 1 weight 0.10000E+01 volume 0.19766E-02 ppm1 3.959 ppm2 4.474 CV 1 ASSI { 43} (( segid " " and resid 814 and name HB3 )) (( segid " " and resid 814 and name HB2 )) 1.700 0.400 0.500 peak 43 spectrum 1 weight 0.10000E+01 volume 0.21554E-01 ppm1 4.027 ppm2 3.958 CV 1 ASSI { 45} (( segid " " and resid 853 and name HA )) ( segid " " and resid 844 and name HB% ) 3.000 1.200 1.200 peak 45 spectrum 1 weight 0.10000E+01 volume 0.19395E-02 ppm1 4.023 ppm2 1.538 CV 1 ASSI { 46} (( segid " " and resid 853 and name HB2 )) ( segid " " and resid 844 and name HB% ) 3.400 1.400 1.400 peak 46 spectrum 1 weight 0.10000E+01 volume 0.11290E-02 ppm1 3.927 ppm2 1.540 CV 1 OR { 46} (( segid " " and resid 853 and name HB3 )) ( segid " " and resid 844 and name HB% ) ASSI { 47} (( segid " " and resid 853 and name HA )) (( segid " " and resid 847 and name HG2 )) 3.000 1.100 1.100 peak 47 spectrum 1 weight 0.10000E+01 volume 0.11476E-02 ppm1 4.023 ppm2 2.204 CV 1 ASSI { 48} (( segid " " and resid 853 and name HA )) (( segid " " and resid 847 and name HB2 )) 3.400 1.400 1.400 peak 48 spectrum 1 weight 0.10000E+01 volume 0.11538E-02 ppm1 4.023 ppm2 2.090 CV 1 ASSI { 50} (( segid " " and resid 853 and name HA )) (( segid " " and resid 856 and name HG )) 3.600 1.600 1.600 peak 50 spectrum 1 weight 0.10000E+01 volume 0.60012E-03 ppm1 4.024 ppm2 1.790 CV 1 ASSI { 51} (( segid " " and resid 853 and name HA )) (( segid " " and resid 857 and name HG )) 3.800 1.800 1.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.50420E-03 ppm1 4.022 ppm2 1.703 CV 1 ASSI { 53} (( segid " " and resid 853 and name HB2 )) (( segid " " and resid 857 and name HG )) 3.800 1.800 1.800 peak 53 spectrum 1 weight 0.10000E+01 volume 0.41450E-03 ppm1 3.928 ppm2 1.701 CV 1 OR { 53} (( segid " " and resid 853 and name HB3 )) (( segid " " and resid 857 and name HG )) ASSI { 54} (( segid " " and resid 853 and name HA )) ( segid " " and resid 856 and name HD1%) 2.900 1.000 1.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.18065E-02 ppm1 4.023 ppm2 0.827 CV 1 ASSI { 55} (( segid " " and resid 853 and name HB2 )) ( segid " " and resid 856 and name HD1%) 3.800 1.800 1.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.13208E-02 ppm1 3.927 ppm2 0.826 CV 1 OR { 55} (( segid " " and resid 853 and name HB3 )) ( segid " " and resid 856 and name HD1%) ASSI { 56} (( segid " " and resid 815 and name HB3 )) (( segid " " and resid 815 and name H )) 3.200 1.300 1.300 peak 56 spectrum 1 weight 0.10000E+01 volume 0.19580E-02 ppm1 3.784 ppm2 7.458 CV 1 ASSI { 57} (( segid " " and resid 815 and name HA )) (( segid " " and resid 815 and name H )) 2.800 0.900 0.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.29479E-02 ppm1 4.546 ppm2 7.459 CV 1 ASSI { 58} (( segid " " and resid 815 and name HA )) (( segid " " and resid 816 and name H )) 3.000 1.100 1.100 peak 58 spectrum 1 weight 0.10000E+01 volume 0.19086E-02 ppm1 4.547 ppm2 7.042 CV 1 ASSI { 59} (( segid " " and resid 815 and name HB3 )) (( segid " " and resid 816 and name H )) 4.200 2.200 1.800 peak 59 spectrum 1 weight 0.10000E+01 volume 0.48874E-03 ppm1 3.787 ppm2 7.042 CV 1 ASSI { 60} (( segid " " and resid 815 and name HB2 )) (( segid " " and resid 815 and name H )) 3.000 1.100 1.100 peak 60 spectrum 1 weight 0.10000E+01 volume 0.13023E-02 ppm1 3.941 ppm2 7.458 CV 1 ASSI { 61} (( segid " " and resid 815 and name HA )) (( segid " " and resid 818 and name H )) 3.900 1.900 1.900 peak 61 spectrum 1 weight 0.10000E+01 volume 0.47327E-03 ppm1 4.546 ppm2 8.217 CV 1 ASSI { 64} (( segid " " and resid 815 and name HA )) (( segid " " and resid 815 and name HB2 )) 2.800 1.000 1.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.37552E-02 ppm1 4.547 ppm2 3.943 CV 1 ASSI { 65} (( segid " " and resid 815 and name HA )) (( segid " " and resid 815 and name HB3 )) 2.700 0.900 0.900 peak 65 spectrum 1 weight 0.10000E+01 volume 0.25117E-02 ppm1 4.546 ppm2 3.786 CV 1 ASSI { 66} (( segid " " and resid 815 and name HB3 )) (( segid " " and resid 815 and name HB2 )) 2.000 0.500 0.500 peak 66 spectrum 1 weight 0.10000E+01 volume 0.63938E-02 ppm1 3.785 ppm2 3.943 CV 1 ASSI { 69} (( segid " " and resid 815 and name HB2 )) (( segid " " and resid 818 and name HB2 )) 4.000 2.000 2.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.45781E-03 ppm1 3.943 ppm2 3.115 CV 1 ASSI { 70} (( segid " " and resid 815 and name HB2 )) (( segid " " and resid 822 and name HG3 )) 3.900 1.900 1.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.55370E-03 ppm1 3.944 ppm2 2.679 CV 1 ASSI { 71} (( segid " " and resid 815 and name HB3 )) (( segid " " and resid 822 and name HG3 )) 4.000 2.000 2.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.56298E-03 ppm1 3.782 ppm2 2.678 CV 1 ASSI { 73} (( segid " " and resid 815 and name HB2 )) (( segid " " and resid 821 and name HG2 )) 4.100 2.100 1.900 peak 73 spectrum 1 weight 0.10000E+01 volume 0.54132E-03 ppm1 3.943 ppm2 2.383 CV 1 ASSI { 74} (( segid " " and resid 815 and name HB2 )) (( segid " " and resid 822 and name HG2 )) 3.100 1.200 1.200 peak 74 spectrum 1 weight 0.10000E+01 volume 0.77948E-03 ppm1 3.941 ppm2 2.244 CV 1 ASSI { 75} (( segid " " and resid 815 and name HB2 )) (( segid " " and resid 821 and name HB3 )) 3.900 1.900 1.900 peak 75 spectrum 1 weight 0.10000E+01 volume 0.47946E-03 ppm1 3.944 ppm2 1.942 CV 1 ASSI { 76} (( segid " " and resid 815 and name HB2 )) ( segid " " and resid 822 and name HE% ) 4.300 2.300 1.700 peak 76 spectrum 1 weight 0.10000E+01 volume 0.41450E-03 ppm1 3.943 ppm2 1.867 CV 1 ASSI { 77} (( segid " " and resid 815 and name HB2 )) (( segid " " and resid 821 and name HB2 )) 4.400 2.400 1.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.71454E-03 ppm1 3.943 ppm2 1.812 CV 1 ASSI { 78} (( segid " " and resid 815 and name HB3 )) ( segid " " and resid 822 and name HE% ) 4.800 2.900 1.200 peak 78 spectrum 1 weight 0.10000E+01 volume 0.37119E-03 ppm1 3.783 ppm2 1.869 CV 1 ASSI { 79} (( segid " " and resid 815 and name HB3 )) (( segid " " and resid 821 and name HB2 )) 4.200 2.200 1.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.57844E-03 ppm1 3.785 ppm2 1.811 CV 1 ASSI { 80} (( segid " " and resid 815 and name HB3 )) (( segid " " and resid 821 and name HG2 )) 3.800 1.800 1.800 peak 80 spectrum 1 weight 0.10000E+01 volume 0.32170E-03 ppm1 3.787 ppm2 2.378 CV 1 ASSI { 81} (( segid " " and resid 815 and name HB3 )) (( segid " " and resid 822 and name HG2 )) 3.700 1.700 1.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.72694E-03 ppm1 3.785 ppm2 2.246 CV 1 ASSI { 82} (( segid " " and resid 816 and name HA )) (( segid " " and resid 816 and name H )) 2.600 0.800 0.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.34737E-02 ppm1 4.457 ppm2 7.042 CV 1 ASSI { 85} (( segid " " and resid 816 and name HG2 )) (( segid " " and resid 816 and name H )) 2.900 1.100 1.100 peak 85 spectrum 1 weight 0.10000E+01 volume 0.35820E-02 ppm1 2.606 ppm2 7.042 CV 1 OR { 85} (( segid " " and resid 816 and name HG3 )) (( segid " " and resid 816 and name H )) ASSI { 86} ( segid " " and resid 816 and name HE% ) (( segid " " and resid 816 and name H )) 3.300 1.300 1.300 peak 86 spectrum 1 weight 0.10000E+01 volume 0.26788E-02 ppm1 1.993 ppm2 7.040 CV 1 ASSI { 87} (( segid " " and resid 816 and name HA )) (( segid " " and resid 818 and name H )) 3.500 1.500 1.500 peak 87 spectrum 1 weight 0.10000E+01 volume 0.15528E-02 ppm1 4.458 ppm2 8.218 CV 1 ASSI { 88} (( segid " " and resid 816 and name HA )) (( segid " " and resid 817 and name H )) 2.200 0.600 0.600 peak 88 spectrum 1 weight 0.10000E+01 volume 0.90571E-02 ppm1 4.457 ppm2 8.115 CV 1 ASSI { 89} (( segid " " and resid 816 and name HG3 )) (( segid " " and resid 817 and name H )) 3.700 1.700 1.700 peak 89 spectrum 1 weight 0.10000E+01 volume 0.12373E-02 ppm1 2.607 ppm2 8.115 CV 1 ASSI { 92} (( segid " " and resid 816 and name HG3 )) (( segid " " and resid 816 and name HA )) 2.800 1.000 1.000 peak 92 spectrum 1 weight 0.10000E+01 volume 0.25705E-02 ppm1 2.606 ppm2 4.458 CV 1 OR { 92} (( segid " " and resid 816 and name HG2 )) (( segid " " and resid 816 and name HA )) ASSI { 93} ( segid " " and resid 816 and name HE% ) (( segid " " and resid 816 and name HA )) 2.700 0.900 0.900 peak 93 spectrum 1 weight 0.10000E+01 volume 0.41481E-02 ppm1 1.993 ppm2 4.457 CV 1 ASSI { 94} (( segid " " and resid 816 and name HA )) (( segid " " and resid 817 and name HA2 )) 4.500 2.500 1.500 peak 94 spectrum 1 weight 0.10000E+01 volume 0.70837E-03 ppm1 4.456 ppm2 4.223 CV 1 ASSI { 95} (( segid " " and resid 816 and name HA )) (( segid " " and resid 817 and name HA3 )) 3.900 1.900 1.900 peak 95 spectrum 1 weight 0.10000E+01 volume 0.11693E-02 ppm1 4.456 ppm2 3.675 CV 1 ASSI { 97} (( segid " " and resid 816 and name HB2 )) (( segid " " and resid 816 and name HG2 )) 2.400 0.700 0.700 peak 97 spectrum 1 weight 0.10000E+01 volume 0.67311E-02 ppm1 2.078 ppm2 2.605 CV 1 OR { 97} (( segid " " and resid 816 and name HB2 )) (( segid " " and resid 816 and name HG3 )) ASSI { 98} (( segid " " and resid 816 and name HB3 )) (( segid " " and resid 816 and name HG3 )) 2.400 0.700 0.700 peak 98 spectrum 1 weight 0.10000E+01 volume 0.71795E-02 ppm1 2.018 ppm2 2.605 CV 1 OR { 98} (( segid " " and resid 816 and name HB3 )) (( segid " " and resid 816 and name HG2 )) ASSI { 99} (( segid " " and resid 816 and name HA )) (( segid " " and resid 816 and name HB2 )) 2.800 1.000 1.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.24591E-02 ppm1 4.457 ppm2 2.079 CV 1 ASSI { 100} (( segid " " and resid 816 and name HA )) (( segid " " and resid 816 and name HB3 )) 2.800 1.000 1.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.26478E-02 ppm1 4.457 ppm2 2.011 CV 1 ASSI { 102} (( segid " " and resid 816 and name HA )) (( segid " " and resid 822 and name HG2 )) 3.300 1.400 1.400 peak 102 spectrum 1 weight 0.10000E+01 volume 0.63103E-03 ppm1 4.457 ppm2 2.249 CV 1 ASSI { 108} (( segid " " and resid 817 and name HA2 )) (( segid " " and resid 817 and name H )) 2.600 0.800 0.800 peak 108 spectrum 1 weight 0.10000E+01 volume 0.33717E-02 ppm1 4.222 ppm2 8.115 CV 1 ASSI { 109} (( segid " " and resid 817 and name HA3 )) (( segid " " and resid 818 and name H )) 3.200 1.300 1.300 peak 109 spectrum 1 weight 0.10000E+01 volume 0.11600E-02 ppm1 3.680 ppm2 8.218 CV 1 ASSI { 110} (( segid " " and resid 817 and name HA3 )) (( segid " " and resid 817 and name H )) 2.800 1.000 1.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.36253E-02 ppm1 3.680 ppm2 8.115 CV 1 ASSI { 114} (( segid " " and resid 817 and name HA3 )) (( segid " " and resid 817 and name HA2 )) 2.000 0.500 0.500 peak 114 spectrum 1 weight 0.10000E+01 volume 0.10251E-01 ppm1 3.680 ppm2 4.223 CV 1 ASSI { 119} (( segid " " and resid 818 and name HA )) (( segid " " and resid 818 and name H )) 2.900 1.100 1.100 peak 119 spectrum 1 weight 0.10000E+01 volume 0.21127E-02 ppm1 4.787 ppm2 8.216 CV 1 ASSI { 120} (( segid " " and resid 783 and name HA )) (( segid " " and resid 783 and name H )) 3.000 1.100 1.100 peak 120 spectrum 1 weight 0.10000E+01 volume 0.17879E-02 ppm1 4.784 ppm2 8.400 CV 1 ASSI { 121} (( segid " " and resid 818 and name HA )) (( segid " " and resid 819 and name H )) 2.400 0.700 0.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.71055E-02 ppm1 4.789 ppm2 8.587 CV 1 ASSI { 124} (( segid " " and resid 783 and name HA )) (( segid " " and resid 784 and name HD2 )) 2.300 0.600 0.600 peak 124 spectrum 1 weight 0.10000E+01 volume 0.91687E-02 ppm1 4.784 ppm2 3.784 CV 1 ASSI { 125} (( segid " " and resid 783 and name HA )) (( segid " " and resid 784 and name HD3 )) 2.200 0.600 0.600 peak 125 spectrum 1 weight 0.10000E+01 volume 0.76097E-02 ppm1 4.784 ppm2 3.667 CV 1 ASSI { 126} (( segid " " and resid 818 and name HB3 )) (( segid " " and resid 818 and name HB2 )) 2.200 0.600 0.600 peak 126 spectrum 1 weight 0.10000E+01 volume 0.44420E-02 ppm1 2.299 ppm2 3.108 CV 1 ASSI { 127} (( segid " " and resid 818 and name HA )) (( segid " " and resid 818 and name HB2 )) 3.300 1.300 1.300 peak 127 spectrum 1 weight 0.10000E+01 volume 0.15002E-02 ppm1 4.790 ppm2 3.109 CV 1 ASSI { 128} (( segid " " and resid 783 and name HA )) (( segid " " and resid 783 and name HB2 )) 2.800 1.000 1.000 peak 128 spectrum 1 weight 0.10000E+01 volume 0.27901E-02 ppm1 4.783 ppm2 2.677 CV 1 ASSI { 129} (( segid " " and resid 783 and name HA )) (( segid " " and resid 783 and name HB3 )) 2.800 1.000 1.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.26355E-02 ppm1 4.783 ppm2 2.495 CV 1 ASSI { 130} (( segid " " and resid 818 and name HA )) (( segid " " and resid 818 and name HB3 )) 2.800 1.000 1.000 peak 130 spectrum 1 weight 0.10000E+01 volume 0.24468E-02 ppm1 4.788 ppm2 2.301 CV 1 ASSI { 132} (( segid " " and resid 818 and name HB3 )) (( segid " " and resid 821 and name HB2 )) 3.800 1.800 1.800 peak 132 spectrum 1 weight 0.10000E+01 volume 0.52276E-03 ppm1 2.305 ppm2 1.814 CV 1 ASSI { 133} (( segid " " and resid 818 and name HA )) ( segid " " and resid 819 and name HB% ) 3.500 1.600 1.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.14136E-02 ppm1 4.789 ppm2 1.391 CV 1 ASSI { 134} (( segid " " and resid 819 and name HA )) (( segid " " and resid 819 and name H )) 2.600 0.800 0.800 peak 134 spectrum 1 weight 0.10000E+01 volume 0.33098E-02 ppm1 3.856 ppm2 8.587 CV 1 ASSI { 135} ( segid " " and resid 819 and name HB% ) (( segid " " and resid 819 and name H )) 2.100 0.600 0.600 peak 135 spectrum 1 weight 0.10000E+01 volume 0.12645E-01 ppm1 1.391 ppm2 8.587 CV 1 ASSI { 136} ( segid " " and resid 819 and name HB% ) (( segid " " and resid 820 and name H )) 2.300 0.700 0.700 peak 136 spectrum 1 weight 0.10000E+01 volume 0.62298E-02 ppm1 1.390 ppm2 8.417 CV 1 ASSI { 137} (( segid " " and resid 819 and name HA )) (( segid " " and resid 822 and name H )) 3.200 1.300 1.300 peak 137 spectrum 1 weight 0.10000E+01 volume 0.12930E-02 ppm1 3.856 ppm2 8.481 CV 1 ASSI { 138} (( segid " " and resid 819 and name HA )) (( segid " " and resid 820 and name H )) 3.600 1.600 1.600 peak 138 spectrum 1 weight 0.10000E+01 volume 0.10332E-02 ppm1 3.856 ppm2 8.416 CV 1 ASSI { 139} (( segid " " and resid 874 and name HA )) (( segid " " and resid 874 and name H )) 2.600 0.900 0.900 peak 139 spectrum 1 weight 0.10000E+01 volume 0.31056E-02 ppm1 3.843 ppm2 8.865 CV 1 ASSI { 140} ( segid " " and resid 878 and name HB% ) (( segid " " and resid 877 and name H )) 3.700 1.700 1.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.15838E-02 ppm1 1.399 ppm2 8.225 CV 1 ASSI { 141} ( segid " " and resid 900 and name HB% ) (( segid " " and resid 900 and name H )) 2.100 0.600 0.600 peak 141 spectrum 1 weight 0.10000E+01 volume 0.10885E-01 ppm1 1.391 ppm2 8.057 CV 1 ASSI { 142} ( segid " " and resid 878 and name HB% ) (( segid " " and resid 878 and name H )) 2.000 0.500 0.500 peak 142 spectrum 1 weight 0.10000E+01 volume 0.14112E-01 ppm1 1.400 ppm2 7.993 CV 1 ASSI { 143} ( segid " " and resid 900 and name HB% ) (( segid " " and resid 863 and name H )) 3.300 1.400 1.400 peak 143 spectrum 1 weight 0.10000E+01 volume 0.15095E-02 ppm1 1.391 ppm2 7.889 CV 1 ASSI { 145} ( segid " " and resid 878 and name HB% ) (( segid " " and resid 823 and name H )) 3.000 1.100 1.100 peak 145 spectrum 1 weight 0.10000E+01 volume 0.20292E-02 ppm1 1.393 ppm2 7.757 CV 1 ASSI { 147} ( segid " " and resid 878 and name HB% ) (( segid " " and resid 879 and name H )) 2.200 0.600 0.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.65642E-02 ppm1 1.400 ppm2 7.194 CV 1 ASSI { 148} ( segid " " and resid 878 and name HB% ) (( segid " " and resid 887 and name HE22)) 3.800 1.800 1.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.71766E-03 ppm1 1.389 ppm2 6.739 CV 1 ASSI { 149} ( segid " " and resid 900 and name HB% ) (( segid " " and resid 900 and name HA )) 2.100 0.600 0.600 peak 149 spectrum 1 weight 0.10000E+01 volume 0.11723E-01 ppm1 1.391 ppm2 4.072 CV 1 ASSI { 150} ( segid " " and resid 878 and name HB% ) (( segid " " and resid 878 and name HA )) 2.000 0.500 0.500 peak 150 spectrum 1 weight 0.10000E+01 volume 0.16218E-01 ppm1 1.400 ppm2 3.965 CV 1 ASSI { 151} ( segid " " and resid 900 and name HB% ) (( segid " " and resid 863 and name HA )) 2.300 0.700 0.700 peak 151 spectrum 1 weight 0.10000E+01 volume 0.58432E-02 ppm1 1.391 ppm2 3.904 CV 1 ASSI { 153} ( segid " " and resid 878 and name HB% ) (( segid " " and resid 875 and name HA )) 2.400 0.700 0.700 peak 153 spectrum 1 weight 0.10000E+01 volume 0.54225E-02 ppm1 1.400 ppm2 3.758 CV 1 ASSI { 154} ( segid " " and resid 819 and name HB% ) (( segid " " and resid 820 and name HA2 )) 3.900 1.900 1.900 peak 154 spectrum 1 weight 0.10000E+01 volume 0.11569E-02 ppm1 1.390 ppm2 3.673 CV 1 ASSI { 155} (( segid " " and resid 819 and name HA )) (( segid " " and resid 822 and name HG3 )) 3.400 1.500 1.500 peak 155 spectrum 1 weight 0.10000E+01 volume 0.80733E-03 ppm1 3.856 ppm2 2.678 CV 1 ASSI { 157} ( segid " " and resid 878 and name HB% ) (( segid " " and resid 822 and name HG2 )) 4.100 2.100 1.900 peak 157 spectrum 1 weight 0.10000E+01 volume 0.15002E-02 ppm1 1.397 ppm2 2.260 CV 1 ASSI { 158} (( segid " " and resid 819 and name HA )) (( segid " " and resid 822 and name HB2 )) 3.300 1.400 1.400 peak 158 spectrum 1 weight 0.10000E+01 volume 0.20571E-02 ppm1 3.857 ppm2 2.116 CV 1 ASSI { 159} ( segid " " and resid 878 and name HB% ) (( segid " " and resid 822 and name HB2 )) 2.300 0.700 0.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.26200E-02 ppm1 1.399 ppm2 2.116 CV 1 ASSI { 160} ( segid " " and resid 878 and name HB% ) ( segid " " and resid 822 and name HE% ) 2.700 0.900 0.900 peak 160 spectrum 1 weight 0.10000E+01 volume 0.60812E-02 ppm1 1.399 ppm2 1.876 CV 1 OR { 160} ( segid " " and resid 878 and name HB% ) (( segid " " and resid 822 and name HB3 )) ASSI { 161} (( segid " " and resid 819 and name HA )) ( segid " " and resid 822 and name HE% ) 4.000 2.000 2.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.24282E-02 ppm1 3.856 ppm2 1.879 CV 1 OR { 161} (( segid " " and resid 819 and name HA )) (( segid " " and resid 822 and name HB3 )) ASSI { 163} (( segid " " and resid 874 and name HA )) ( segid " " and resid 874 and name HB% ) 2.200 0.600 0.600 peak 163 spectrum 1 weight 0.10000E+01 volume 0.75074E-02 ppm1 3.843 ppm2 1.310 CV 1 ASSI { 165} ( segid " " and resid 878 and name HB% ) ( segid " " and resid 823 and name HG2%) 2.100 0.600 0.600 peak 165 spectrum 1 weight 0.10000E+01 volume 0.90847E-02 ppm1 1.400 ppm2 0.944 CV 1 ASSI { 167} ( segid " " and resid 900 and name HB% ) ( segid " " and resid 897 and name HD2%) 2.900 1.100 1.100 peak 167 spectrum 1 weight 0.10000E+01 volume 0.29850E-02 ppm1 1.391 ppm2 0.815 CV 1 ASSI { 170} ( segid " " and resid 900 and name HB% ) ( segid " " and resid 863 and name HD1%) 2.700 0.900 0.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.46245E-02 ppm1 1.391 ppm2 0.690 CV 1 ASSI { 172} (( segid " " and resid 820 and name HA2 )) (( segid " " and resid 820 and name H )) 2.900 1.000 1.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.34026E-02 ppm1 3.664 ppm2 8.417 CV 1 ASSI { 173} (( segid " " and resid 820 and name HA3 )) (( segid " " and resid 820 and name H )) 2.400 0.700 0.700 peak 173 spectrum 1 weight 0.10000E+01 volume 0.46554E-02 ppm1 3.882 ppm2 8.417 CV 1 ASSI { 175} (( segid " " and resid 820 and name HA3 )) (( segid " " and resid 821 and name H )) 3.000 1.100 1.100 peak 175 spectrum 1 weight 0.10000E+01 volume 0.18219E-02 ppm1 3.881 ppm2 7.758 CV 1 ASSI { 176} (( segid " " and resid 876 and name HA3 )) (( segid " " and resid 886 and name HE21)) 2.900 1.100 1.100 peak 176 spectrum 1 weight 0.10000E+01 volume 0.13239E-02 ppm1 3.868 ppm2 7.281 CV 1 OR { 176} (( segid " " and resid 876 and name HA2 )) (( segid " " and resid 886 and name HE21)) ASSI { 178} (( segid " " and resid 876 and name HA3 )) (( segid " " and resid 886 and name HE22)) 4.100 2.200 1.900 peak 178 spectrum 1 weight 0.10000E+01 volume 0.44234E-03 ppm1 3.868 ppm2 6.861 CV 1 OR { 178} (( segid " " and resid 876 and name HA2 )) (( segid " " and resid 886 and name HE22)) ASSI { 179} (( segid " " and resid 820 and name HA2 )) (( segid " " and resid 820 and name HA3 )) 2.000 0.500 0.500 peak 179 spectrum 1 weight 0.10000E+01 volume 0.84295E-02 ppm1 3.665 ppm2 3.881 CV 1 ASSI { 181} (( segid " " and resid 820 and name HA2 )) (( segid " " and resid 823 and name HB )) 3.200 1.300 1.300 peak 181 spectrum 1 weight 0.10000E+01 volume 0.82279E-03 ppm1 3.667 ppm2 2.036 CV 1 ASSI { 182} (( segid " " and resid 896 and name HA2 )) ( segid " " and resid 899 and name HE% ) 3.500 1.600 1.600 peak 182 spectrum 1 weight 0.10000E+01 volume 0.73623E-03 ppm1 3.874 ppm2 2.037 CV 1 ASSI { 184} (( segid " " and resid 820 and name HA3 )) ( segid " " and resid 819 and name HB% ) 4.400 2.500 1.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.10146E-02 ppm1 3.876 ppm2 1.388 CV 1 ASSI { 186} (( segid " " and resid 820 and name HA2 )) ( segid " " and resid 823 and name HG1%) 4.500 2.500 1.500 peak 186 spectrum 1 weight 0.10000E+01 volume 0.35882E-03 ppm1 3.671 ppm2 0.847 CV 1 ASSI { 187} (( segid " " and resid 820 and name HA3 )) ( segid " " and resid 823 and name HG2%) 5.000 3.100 1.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.39285E-03 ppm1 3.877 ppm2 0.941 CV 1 ASSI { 188} (( segid " " and resid 821 and name HA )) (( segid " " and resid 824 and name H )) 3.100 1.200 1.200 peak 188 spectrum 1 weight 0.10000E+01 volume 0.15126E-02 ppm1 4.307 ppm2 7.861 CV 1 ASSI { 189} (( segid " " and resid 821 and name HA )) (( segid " " and resid 821 and name H )) 2.800 1.000 1.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.27376E-02 ppm1 4.308 ppm2 7.757 CV 1 ASSI { 190} (( segid " " and resid 821 and name HA )) (( segid " " and resid 822 and name H )) 3.500 1.500 1.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.83519E-03 ppm1 4.306 ppm2 8.482 CV 1 ASSI { 191} (( segid " " and resid 821 and name HA )) (( segid " " and resid 825 and name H )) 3.700 1.700 1.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.89396E-03 ppm1 4.309 ppm2 8.425 CV 1 ASSI { 195} (( segid " " and resid 821 and name HG2 )) (( segid " " and resid 821 and name H )) 4.200 2.200 1.800 peak 195 spectrum 1 weight 0.10000E+01 volume 0.80733E-03 ppm1 2.378 ppm2 7.758 CV 1 ASSI { 197} (( segid " " and resid 821 and name HB3 )) (( segid " " and resid 821 and name HA )) 3.400 1.400 1.400 peak 197 spectrum 1 weight 0.10000E+01 volume 0.11816E-02 ppm1 1.944 ppm2 4.308 CV 1 ASSI { 201} (( segid " " and resid 821 and name HA )) (( segid " " and resid 821 and name HG2 )) 3.800 1.800 1.800 peak 201 spectrum 1 weight 0.10000E+01 volume 0.88779E-03 ppm1 4.310 ppm2 2.380 CV 1 ASSI { 202} (( segid " " and resid 821 and name HA )) (( segid " " and resid 821 and name HG3 )) 3.300 1.400 1.400 peak 202 spectrum 1 weight 0.10000E+01 volume 0.94344E-03 ppm1 4.306 ppm2 2.214 CV 1 ASSI { 206} (( segid " " and resid 821 and name HG2 )) (( segid " " and resid 821 and name HG3 )) 2.100 0.600 0.600 peak 206 spectrum 1 weight 0.10000E+01 volume 0.56081E-02 ppm1 2.380 ppm2 2.215 CV 1 ASSI { 208} (( segid " " and resid 821 and name HA )) (( segid " " and resid 824 and name HB2 )) 2.700 0.900 0.900 peak 208 spectrum 1 weight 0.10000E+01 volume 0.32943E-02 ppm1 4.307 ppm2 1.883 CV 1 OR { 208} (( segid " " and resid 821 and name HA )) (( segid " " and resid 824 and name HB3 )) ASSI { 209} (( segid " " and resid 821 and name HA )) (( segid " " and resid 821 and name HB2 )) 2.900 1.000 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.17323E-02 ppm1 4.306 ppm2 1.823 CV 1 ASSI { 210} (( segid " " and resid 821 and name HG2 )) (( segid " " and resid 821 and name HB3 )) 2.800 1.000 1.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.18219E-02 ppm1 2.380 ppm2 1.944 CV 1 ASSI { 211} (( segid " " and resid 821 and name HG2 )) (( segid " " and resid 821 and name HB2 )) 3.000 1.100 1.100 peak 211 spectrum 1 weight 0.10000E+01 volume 0.17848E-02 ppm1 2.382 ppm2 1.813 CV 1 ASSI { 212} (( segid " " and resid 821 and name HG3 )) (( segid " " and resid 821 and name HB3 )) 3.100 1.200 1.200 peak 212 spectrum 1 weight 0.10000E+01 volume 0.12435E-02 ppm1 2.215 ppm2 1.944 CV 1 ASSI { 213} (( segid " " and resid 821 and name HG3 )) (( segid " " and resid 821 and name HB2 )) 3.200 1.300 1.300 peak 213 spectrum 1 weight 0.10000E+01 volume 0.14167E-02 ppm1 2.217 ppm2 1.812 CV 1 ASSI { 214} (( segid " " and resid 885 and name HB2 )) (( segid " " and resid 885 and name HB3 )) 1.900 0.500 0.500 peak 214 spectrum 1 weight 0.10000E+01 volume 0.99545E-02 ppm1 1.782 ppm2 1.957 CV 1 ASSI { 219} (( segid " " and resid 841 and name HA )) (( segid " " and resid 844 and name H )) 3.000 1.100 1.100 peak 219 spectrum 1 weight 0.10000E+01 volume 0.14724E-02 ppm1 3.703 ppm2 8.792 CV 1 ASSI { 221} (( segid " " and resid 822 and name HA )) (( segid " " and resid 825 and name H )) 3.400 1.500 1.500 peak 221 spectrum 1 weight 0.10000E+01 volume 0.65889E-03 ppm1 3.703 ppm2 8.431 CV 1 ASSI { 222} (( segid " " and resid 822 and name HA )) (( segid " " and resid 812 and name HA )) 3.400 1.400 1.400 peak 222 spectrum 1 weight 0.10000E+01 volume 0.78571E-03 ppm1 3.703 ppm2 3.361 CV 1 ASSI { 223} (( segid " " and resid 822 and name HA )) (( segid " " and resid 822 and name HG2 )) 2.800 0.900 0.900 peak 223 spectrum 1 weight 0.10000E+01 volume 0.21158E-02 ppm1 3.704 ppm2 2.250 CV 1 ASSI { 224} (( segid " " and resid 822 and name HA )) (( segid " " and resid 822 and name HB2 )) 3.000 1.100 1.100 peak 224 spectrum 1 weight 0.10000E+01 volume 0.23973E-02 ppm1 3.705 ppm2 2.113 CV 1 ASSI { 225} (( segid " " and resid 822 and name HA )) (( segid " " and resid 822 and name HG3 )) 3.300 1.300 1.300 peak 225 spectrum 1 weight 0.10000E+01 volume 0.14878E-02 ppm1 3.705 ppm2 2.681 CV 1 ASSI { 226} (( segid " " and resid 822 and name HA )) (( segid " " and resid 822 and name HB3 )) 2.500 0.800 0.800 peak 226 spectrum 1 weight 0.10000E+01 volume 0.32882E-02 ppm1 3.703 ppm2 1.879 CV 1 ASSI { 227} (( segid " " and resid 841 and name HA )) (( segid " " and resid 841 and name HB3 )) 2.400 0.700 0.700 peak 227 spectrum 1 weight 0.10000E+01 volume 0.53390E-02 ppm1 3.702 ppm2 1.782 CV 1 OR { 227} (( segid " " and resid 841 and name HA )) (( segid " " and resid 841 and name HB2 )) ASSI { 228} (( segid " " and resid 841 and name HA )) (( segid " " and resid 841 and name HG2 )) 2.700 0.900 0.900 peak 228 spectrum 1 weight 0.10000E+01 volume 0.26850E-02 ppm1 3.702 ppm2 1.607 CV 1 ASSI { 229} (( segid " " and resid 841 and name HA )) ( segid " " and resid 844 and name HB% ) 2.500 0.800 0.800 peak 229 spectrum 1 weight 0.10000E+01 volume 0.44141E-02 ppm1 3.701 ppm2 1.537 CV 1 ASSI { 231} (( segid " " and resid 822 and name HA )) ( segid " " and resid 878 and name HB% ) 4.300 2.300 1.700 peak 231 spectrum 1 weight 0.10000E+01 volume 0.69597E-03 ppm1 3.703 ppm2 1.399 CV 1 ASSI { 233} (( segid " " and resid 822 and name HA )) (( segid " " and resid 812 and name HG12)) 3.900 1.900 1.900 peak 233 spectrum 1 weight 0.10000E+01 volume 0.83830E-03 ppm1 3.704 ppm2 0.857 CV 1 ASSI { 234} (( segid " " and resid 841 and name HA )) ( segid " " and resid 857 and name HD2%) 2.400 0.700 0.700 peak 234 spectrum 1 weight 0.10000E+01 volume 0.50452E-02 ppm1 3.702 ppm2 0.788 CV 1 ASSI { 235} (( segid " " and resid 841 and name HA )) (( segid " " and resid 841 and name HG3 )) 2.600 0.900 0.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.31149E-02 ppm1 3.701 ppm2 1.127 CV 1 ASSI { 236} (( segid " " and resid 812 and name HA )) (( segid " " and resid 812 and name H )) 2.700 0.900 0.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.24189E-02 ppm1 3.361 ppm2 8.063 CV 1 ASSI { 237} (( segid " " and resid 812 and name HB )) (( segid " " and resid 812 and name H )) 2.600 0.800 0.800 peak 237 spectrum 1 weight 0.10000E+01 volume 0.24654E-02 ppm1 1.965 ppm2 8.062 CV 1 ASSI { 238} ( segid " " and resid 812 and name HD1%) (( segid " " and resid 826 and name H )) 3.300 1.400 1.400 peak 238 spectrum 1 weight 0.10000E+01 volume 0.14291E-02 ppm1 0.638 ppm2 8.214 CV 1 ASSI { 239} ( segid " " and resid 812 and name HD1%) (( segid " " and resid 812 and name H )) 2.500 0.800 0.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.25612E-02 ppm1 0.639 ppm2 8.063 CV 1 ASSI { 240} ( segid " " and resid 812 and name HD1%) (( segid " " and resid 809 and name H )) 4.100 2.100 1.900 peak 240 spectrum 1 weight 0.10000E+01 volume 0.61246E-03 ppm1 0.639 ppm2 7.968 CV 1 ASSI { 242} ( segid " " and resid 812 and name HD1%) (( segid " " and resid 829 and name H )) 3.900 1.900 1.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.88467E-03 ppm1 0.639 ppm2 8.603 CV 1 ASSI { 243} ( segid " " and resid 812 and name HD1%) (( segid " " and resid 825 and name H )) 4.600 2.600 1.400 peak 243 spectrum 1 weight 0.10000E+01 volume 0.50420E-03 ppm1 0.640 ppm2 8.433 CV 1 ASSI { 246} ( segid " " and resid 812 and name HG2%) (( segid " " and resid 812 and name H )) 3.300 1.400 1.400 peak 246 spectrum 1 weight 0.10000E+01 volume 0.31830E-02 ppm1 0.493 ppm2 8.064 CV 1 ASSI { 247} (( segid " " and resid 812 and name HA )) (( segid " " and resid 815 and name H )) 3.400 1.400 1.400 peak 247 spectrum 1 weight 0.10000E+01 volume 0.71143E-03 ppm1 3.359 ppm2 7.458 CV 1 ASSI { 248} (( segid " " and resid 812 and name HA )) (( segid " " and resid 813 and name H )) 3.400 1.500 1.500 peak 248 spectrum 1 weight 0.10000E+01 volume 0.73928E-03 ppm1 3.361 ppm2 7.275 CV 1 ASSI { 251} ( segid " " and resid 812 and name HG2%) (( segid " " and resid 815 and name H )) 4.000 2.000 2.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.48255E-03 ppm1 0.493 ppm2 7.452 CV 1 ASSI { 252} ( segid " " and resid 812 and name HG2%) ( segid " " and resid 813 and name HD% ) 3.600 1.700 1.700 peak 252 spectrum 1 weight 0.10000E+01 volume 0.89396E-03 ppm1 0.492 ppm2 7.330 CV 1 ASSI { 253} ( segid " " and resid 812 and name HG2%) (( segid " " and resid 813 and name H )) 2.900 1.000 1.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.23571E-02 ppm1 0.493 ppm2 7.274 CV 1 ASSI { 254} ( segid " " and resid 812 and name HD1%) (( segid " " and resid 813 and name H )) 4.300 2.300 1.700 peak 254 spectrum 1 weight 0.10000E+01 volume 0.70526E-03 ppm1 0.639 ppm2 7.274 CV 1 ASSI { 255} ( segid " " and resid 812 and name HG2%) ( segid " " and resid 813 and name HE% ) 3.800 1.800 1.800 peak 255 spectrum 1 weight 0.10000E+01 volume 0.55061E-03 ppm1 0.494 ppm2 7.119 CV 1 ASSI { 257} (( segid " " and resid 812 and name HA )) (( segid " " and resid 815 and name HB2 )) 3.400 1.500 1.500 peak 257 spectrum 1 weight 0.10000E+01 volume 0.57844E-03 ppm1 3.360 ppm2 3.941 CV 1 ASSI { 258} (( segid " " and resid 812 and name HA )) (( segid " " and resid 815 and name HB3 )) 3.900 1.900 1.900 peak 258 spectrum 1 weight 0.10000E+01 volume 0.81045E-03 ppm1 3.360 ppm2 3.788 CV 1 ASSI { 263} (( segid " " and resid 812 and name HB )) (( segid " " and resid 809 and name HA )) 3.800 1.800 1.800 peak 263 spectrum 1 weight 0.10000E+01 volume 0.76714E-03 ppm1 1.965 ppm2 3.571 CV 1 ASSI { 264} ( segid " " and resid 812 and name HD1%) (( segid " " and resid 812 and name HA )) 3.300 1.300 1.300 peak 264 spectrum 1 weight 0.10000E+01 volume 0.20571E-02 ppm1 0.639 ppm2 3.364 CV 1 ASSI { 265} ( segid " " and resid 812 and name HD1%) (( segid " " and resid 826 and name HA )) 2.600 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.44667E-02 ppm1 0.639 ppm2 3.880 CV 1 ASSI { 266} ( segid " " and resid 812 and name HD1%) (( segid " " and resid 822 and name HA )) 4.300 2.300 1.700 peak 266 spectrum 1 weight 0.10000E+01 volume 0.48874E-03 ppm1 0.636 ppm2 3.704 CV 1 ASSI { 267} ( segid " " and resid 812 and name HD1%) (( segid " " and resid 808 and name HA )) 4.000 2.000 2.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.42996E-03 ppm1 0.639 ppm2 3.643 CV 1 ASSI { 268} ( segid " " and resid 812 and name HD1%) (( segid " " and resid 809 and name HA )) 2.400 0.700 0.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.37243E-02 ppm1 0.639 ppm2 3.569 CV 1 ASSI { 270} ( segid " " and resid 812 and name HG2%) (( segid " " and resid 822 and name HA )) 3.300 1.400 1.400 peak 270 spectrum 1 weight 0.10000E+01 volume 0.12528E-02 ppm1 0.492 ppm2 3.705 CV 1 ASSI { 271} ( segid " " and resid 812 and name HG2%) (( segid " " and resid 809 and name HA )) 4.200 2.200 1.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.10084E-02 ppm1 0.493 ppm2 3.569 CV 1 ASSI { 272} ( segid " " and resid 812 and name HG2%) (( segid " " and resid 812 and name HA )) 2.500 0.800 0.800 peak 272 spectrum 1 weight 0.10000E+01 volume 0.51318E-02 ppm1 0.493 ppm2 3.362 CV 1 ASSI { 274} ( segid " " and resid 812 and name HG2%) (( segid " " and resid 874 and name HA )) 3.600 1.700 1.700 peak 274 spectrum 1 weight 0.10000E+01 volume 0.13982E-02 ppm1 0.493 ppm2 3.850 CV 1 ASSI { 275} ( segid " " and resid 812 and name HD1%) (( segid " " and resid 811 and name HB3 )) 4.600 2.700 1.400 peak 275 spectrum 1 weight 0.10000E+01 volume 0.43615E-03 ppm1 0.640 ppm2 2.679 CV 1 ASSI { 276} ( segid " " and resid 812 and name HD1%) (( segid " " and resid 870 and name HG2 )) 4.000 2.000 2.000 peak 276 spectrum 1 weight 0.10000E+01 volume 0.86921E-03 ppm1 0.639 ppm2 2.589 CV 1 ASSI { 277} ( segid " " and resid 812 and name HG2%) (( segid " " and resid 822 and name HG3 )) 3.900 1.900 1.900 peak 277 spectrum 1 weight 0.10000E+01 volume 0.13363E-02 ppm1 0.493 ppm2 2.680 CV 1 ASSI { 278} ( segid " " and resid 812 and name HG2%) (( segid " " and resid 816 and name HG3 )) 3.600 1.700 1.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.66817E-03 ppm1 0.494 ppm2 2.595 CV 1 ASSI { 279} ( segid " " and resid 812 and name HG2%) (( segid " " and resid 822 and name HG2 )) 2.900 1.000 1.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.18714E-02 ppm1 0.493 ppm2 2.251 CV 1 ASSI { 280} ( segid " " and resid 812 and name HG2%) (( segid " " and resid 822 and name HB2 )) 3.700 1.800 1.800 peak 280 spectrum 1 weight 0.10000E+01 volume 0.17693E-02 ppm1 0.492 ppm2 2.111 CV 1 ASSI { 283} (( segid " " and resid 812 and name HG12)) (( segid " " and resid 825 and name HB2 )) 4.200 2.200 1.800 peak 283 spectrum 1 weight 0.10000E+01 volume 0.56607E-03 ppm1 0.866 ppm2 2.108 CV 1 ASSI { 285} (( segid " " and resid 812 and name HG12)) (( segid " " and resid 812 and name HG13)) 2.200 0.600 0.600 peak 285 spectrum 1 weight 0.10000E+01 volume 0.32758E-02 ppm1 0.864 ppm2 1.842 CV 1 ASSI { 287} ( segid " " and resid 812 and name HD1%) (( segid " " and resid 825 and name HB2 )) 2.900 1.100 1.100 peak 287 spectrum 1 weight 0.10000E+01 volume 0.22952E-02 ppm1 0.638 ppm2 2.113 CV 1 ASSI { 288} ( segid " " and resid 812 and name HD1%) (( segid " " and resid 829 and name HB2 )) 3.700 1.700 1.700 peak 288 spectrum 1 weight 0.10000E+01 volume 0.16178E-02 ppm1 0.639 ppm2 2.023 CV 1 ASSI { 290} ( segid " " and resid 812 and name HD1%) (( segid " " and resid 812 and name HG13)) 2.200 0.600 0.600 peak 290 spectrum 1 weight 0.10000E+01 volume 0.66906E-02 ppm1 0.639 ppm2 1.845 CV 1 ASSI { 292} (( segid " " and resid 812 and name HA )) (( segid " " and resid 822 and name HG2 )) 3.600 1.600 1.600 peak 292 spectrum 1 weight 0.10000E+01 volume 0.44543E-03 ppm1 3.358 ppm2 2.251 CV 1 ASSI { 293} (( segid " " and resid 812 and name HA )) (( segid " " and resid 825 and name HB2 )) 3.700 1.700 1.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.59389E-03 ppm1 3.361 ppm2 2.104 CV 1 ASSI { 294} (( segid " " and resid 812 and name HA )) (( segid " " and resid 812 and name HB )) 3.000 1.100 1.100 peak 294 spectrum 1 weight 0.10000E+01 volume 0.17477E-02 ppm1 3.361 ppm2 1.965 CV 1 ASSI { 295} (( segid " " and resid 812 and name HA )) (( segid " " and resid 812 and name HG13)) 2.600 0.800 0.800 peak 295 spectrum 1 weight 0.10000E+01 volume 0.22395E-02 ppm1 3.361 ppm2 1.844 CV 1 ASSI { 296} (( segid " " and resid 812 and name HB )) (( segid " " and resid 812 and name HG13)) 3.400 1.400 1.400 peak 296 spectrum 1 weight 0.10000E+01 volume 0.88161E-03 ppm1 1.967 ppm2 1.844 CV 1 ASSI { 297} (( segid " " and resid 828 and name HB )) (( segid " " and resid 828 and name HG13)) 3.000 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.10084E-02 ppm1 1.966 ppm2 1.710 CV 1 ASSI { 298} ( segid " " and resid 812 and name HG2%) (( segid " " and resid 812 and name HG12)) 2.400 0.700 0.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.42563E-02 ppm1 0.493 ppm2 0.864 CV 1 ASSI { 300} ( segid " " and resid 812 and name HG2%) ( segid " " and resid 874 and name HB% ) 2.600 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.51070E-02 ppm1 0.493 ppm2 1.310 CV 1 ASSI { 301} ( segid " " and resid 812 and name HG2%) ( segid " " and resid 877 and name HB% ) 4.800 2.900 1.200 peak 301 spectrum 1 weight 0.10000E+01 volume 0.59084E-03 ppm1 0.492 ppm2 1.240 CV 1 ASSI { 302} ( segid " " and resid 812 and name HG2%) ( segid " " and resid 809 and name HG2%) 4.000 2.000 2.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.74240E-03 ppm1 0.492 ppm2 1.167 CV 1 ASSI { 303} ( segid " " and resid 812 and name HG2%) ( segid " " and resid 808 and name HG2%) 4.200 2.200 1.800 peak 303 spectrum 1 weight 0.10000E+01 volume 0.74240E-03 ppm1 0.493 ppm2 1.004 CV 1 ASSI { 304} (( segid " " and resid 805 and name HG12)) ( segid " " and resid 832 and name HB% ) 3.300 1.300 1.300 peak 304 spectrum 1 weight 0.10000E+01 volume 0.81350E-03 ppm1 0.858 ppm2 1.426 CV 1 ASSI { 306} ( segid " " and resid 812 and name HD1%) (( segid " " and resid 829 and name HG )) 2.600 0.900 0.900 peak 306 spectrum 1 weight 0.10000E+01 volume 0.40676E-02 ppm1 0.639 ppm2 1.004 CV 1 ASSI { 308} ( segid " " and resid 812 and name HD1%) ( segid " " and resid 874 and name HB% ) 3.100 1.200 1.200 peak 308 spectrum 1 weight 0.10000E+01 volume 0.32232E-02 ppm1 0.639 ppm2 1.310 CV 1 ASSI { 309} ( segid " " and resid 812 and name HD1%) ( segid " " and resid 809 and name HG2%) 3.200 1.300 1.300 peak 309 spectrum 1 weight 0.10000E+01 volume 0.16054E-02 ppm1 0.638 ppm2 1.166 CV 1 ASSI { 310} (( segid " " and resid 812 and name HA )) (( segid " " and resid 812 and name HG12)) 3.600 1.600 1.600 peak 310 spectrum 1 weight 0.10000E+01 volume 0.20014E-02 ppm1 3.360 ppm2 0.866 CV 1 ASSI { 311} (( segid " " and resid 828 and name HB )) ( segid " " and resid 808 and name HG1%) 2.900 1.100 1.100 peak 311 spectrum 1 weight 0.10000E+01 volume 0.13765E-02 ppm1 1.966 ppm2 1.001 CV 1 ASSI { 314} ( segid " " and resid 812 and name HD1%) (( segid " " and resid 812 and name HG12)) 2.200 0.600 0.600 peak 314 spectrum 1 weight 0.10000E+01 volume 0.74921E-02 ppm1 0.639 ppm2 0.867 CV 1 ASSI { 315} ( segid " " and resid 812 and name HD1%) ( segid " " and resid 829 and name HD1%) 2.400 0.700 0.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.48750E-02 ppm1 0.638 ppm2 0.756 CV 1 ASSI { 316} (( segid " " and resid 805 and name HG12)) ( segid " " and resid 805 and name HD1%) 2.500 0.800 0.800 peak 316 spectrum 1 weight 0.10000E+01 volume 0.34088E-02 ppm1 0.854 ppm2 0.718 CV 1 OR { 316} (( segid " " and resid 805 and name HG12)) ( segid " " and resid 805 and name HG2%) ASSI { 319} ( segid " " and resid 812 and name HG2%) ( segid " " and resid 890 and name HD1%) 2.600 0.800 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.33902E-02 ppm1 0.493 ppm2 0.696 CV 1 ASSI { 320} ( segid " " and resid 812 and name HG2%) ( segid " " and resid 812 and name HD1%) 2.700 0.900 0.900 peak 320 spectrum 1 weight 0.10000E+01 volume 0.10177E-01 ppm1 0.493 ppm2 0.639 CV 1 ASSI { 322} (( segid " " and resid 812 and name HB )) ( segid " " and resid 812 and name HD1%) 2.900 1.000 1.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.18807E-02 ppm1 1.965 ppm2 0.639 CV 1 ASSI { 323} (( segid " " and resid 812 and name HB )) ( segid " " and resid 812 and name HG2%) 2.600 0.800 0.800 peak 323 spectrum 1 weight 0.10000E+01 volume 0.29850E-02 ppm1 1.966 ppm2 0.492 CV 1 ASSI { 326} (( segid " " and resid 811 and name HA )) (( segid " " and resid 811 and name H )) 2.700 0.900 0.900 peak 326 spectrum 1 weight 0.10000E+01 volume 0.30747E-02 ppm1 4.473 ppm2 8.155 CV 1 ASSI { 327} (( segid " " and resid 811 and name HA )) (( segid " " and resid 812 and name H )) 3.400 1.400 1.400 peak 327 spectrum 1 weight 0.10000E+01 volume 0.83207E-03 ppm1 4.472 ppm2 8.063 CV 1 ASSI { 332} (( segid " " and resid 811 and name HB3 )) (( segid " " and resid 812 and name H )) 4.200 2.200 1.800 peak 332 spectrum 1 weight 0.10000E+01 volume 0.45781E-03 ppm1 2.673 ppm2 8.063 CV 1 ASSI { 333} (( segid " " and resid 811 and name HB2 )) (( segid " " and resid 811 and name HD21)) 2.800 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.12899E-02 ppm1 3.112 ppm2 7.103 CV 1 ASSI { 334} (( segid " " and resid 811 and name HB2 )) (( segid " " and resid 811 and name HD22)) 4.100 2.100 1.900 peak 334 spectrum 1 weight 0.10000E+01 volume 0.85682E-03 ppm1 3.111 ppm2 6.783 CV 1 ASSI { 335} (( segid " " and resid 811 and name HB3 )) (( segid " " and resid 811 and name HD21)) 3.100 1.200 1.200 peak 335 spectrum 1 weight 0.10000E+01 volume 0.13023E-02 ppm1 2.677 ppm2 7.104 CV 1 ASSI { 337} (( segid " " and resid 811 and name HA )) (( segid " " and resid 813 and name H )) 4.100 2.100 1.900 peak 337 spectrum 1 weight 0.10000E+01 volume 0.36810E-03 ppm1 4.470 ppm2 7.276 CV 1 ASSI { 338} (( segid " " and resid 811 and name HA )) (( segid " " and resid 811 and name HD21)) 4.200 2.200 1.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.48565E-03 ppm1 4.472 ppm2 7.102 CV 1 ASSI { 339} (( segid " " and resid 811 and name HA )) (( segid " " and resid 811 and name HD22)) 4.400 2.400 1.600 peak 339 spectrum 1 weight 0.10000E+01 volume 0.36191E-03 ppm1 4.469 ppm2 6.785 CV 1 ASSI { 345} (( segid " " and resid 811 and name HA )) (( segid " " and resid 808 and name HA )) 4.600 2.700 1.400 peak 345 spectrum 1 weight 0.10000E+01 volume 0.40522E-03 ppm1 4.475 ppm2 3.643 CV 1 ASSI { 348} (( segid " " and resid 811 and name HB3 )) (( segid " " and resid 811 and name HB2 )) 2.100 0.600 0.600 peak 348 spectrum 1 weight 0.10000E+01 volume 0.46306E-02 ppm1 2.681 ppm2 3.105 CV 1 ASSI { 350} (( segid " " and resid 811 and name HA )) (( segid " " and resid 811 and name HB2 )) 3.200 1.300 1.300 peak 350 spectrum 1 weight 0.10000E+01 volume 0.19054E-02 ppm1 4.473 ppm2 3.107 CV 1 ASSI { 351} (( segid " " and resid 811 and name HA )) (( segid " " and resid 811 and name HB3 )) 2.600 0.900 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.29788E-02 ppm1 4.473 ppm2 2.675 CV 1 ASSI { 353} (( segid " " and resid 811 and name HB3 )) ( segid " " and resid 808 and name HG2%) 4.700 2.700 1.300 peak 353 spectrum 1 weight 0.10000E+01 volume 0.57844E-03 ppm1 2.667 ppm2 1.004 CV 1 ASSI { 354} (( segid " " and resid 811 and name HB2 )) ( segid " " and resid 808 and name HG2%) 3.500 1.500 1.500 peak 354 spectrum 1 weight 0.10000E+01 volume 0.73311E-03 ppm1 3.104 ppm2 1.004 CV 1 OR { 354} (( segid " " and resid 811 and name HB2 )) ( segid " " and resid 808 and name HG1%) ASSI { 355} (( segid " " and resid 811 and name HB3 )) (( segid " " and resid 811 and name HD22)) 4.000 2.000 2.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.97441E-03 ppm1 2.678 ppm2 6.786 CV 1 ASSI { 356} (( segid " " and resid 798 and name HA )) (( segid " " and resid 798 and name H )) 3.000 1.100 1.100 peak 356 spectrum 1 weight 0.10000E+01 volume 0.17477E-02 ppm1 5.007 ppm2 8.367 CV 1 ASSI { 357} (( segid " " and resid 798 and name HA )) (( segid " " and resid 801 and name H )) 3.500 1.500 1.500 peak 357 spectrum 1 weight 0.10000E+01 volume 0.67123E-03 ppm1 5.008 ppm2 8.237 CV 1 ASSI { 360} (( segid " " and resid 798 and name HA )) (( segid " " and resid 799 and name H )) 3.100 1.200 1.200 peak 360 spectrum 1 weight 0.10000E+01 volume 0.12682E-02 ppm1 5.005 ppm2 7.568 CV 1 ASSI { 361} (( segid " " and resid 798 and name HA )) ( segid " " and resid 798 and name HD% ) 2.500 0.800 0.800 peak 361 spectrum 1 weight 0.10000E+01 volume 0.45626E-02 ppm1 5.008 ppm2 6.925 CV 1 ASSI { 362} (( segid " " and resid 798 and name HA )) ( segid " " and resid 798 and name HE% ) 4.400 2.400 1.600 peak 362 spectrum 1 weight 0.10000E+01 volume 0.73623E-03 ppm1 5.008 ppm2 6.538 CV 1 ASSI { 363} (( segid " " and resid 798 and name HB2 )) ( segid " " and resid 798 and name HD% ) 2.700 0.900 0.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.21189E-02 ppm1 3.344 ppm2 6.924 CV 1 ASSI { 364} (( segid " " and resid 798 and name HB2 )) ( segid " " and resid 798 and name HE% ) 4.800 2.900 1.200 peak 364 spectrum 1 weight 0.10000E+01 volume 0.37119E-03 ppm1 3.343 ppm2 6.540 CV 1 ASSI { 371} (( segid " " and resid 798 and name HB3 )) (( segid " " and resid 798 and name HB2 )) 2.200 0.600 0.600 peak 371 spectrum 1 weight 0.10000E+01 volume 0.41233E-02 ppm1 2.738 ppm2 3.343 CV 1 ASSI { 372} (( segid " " and resid 798 and name HA )) (( segid " " and resid 798 and name HB2 )) 3.200 1.300 1.300 peak 372 spectrum 1 weight 0.10000E+01 volume 0.21499E-02 ppm1 5.008 ppm2 3.340 CV 1 ASSI { 373} (( segid " " and resid 798 and name HA )) (( segid " " and resid 798 and name HB3 )) 2.800 1.000 1.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.16518E-02 ppm1 5.008 ppm2 2.738 CV 1 ASSI { 376} (( segid " " and resid 798 and name HB2 )) ( segid " " and resid 801 and name HB% ) 4.600 2.600 1.400 peak 376 spectrum 1 weight 0.10000E+01 volume 0.67740E-03 ppm1 3.338 ppm2 1.529 CV 1 ASSI { 380} (( segid " " and resid 798 and name HB2 )) ( segid " " and resid 802 and name HG2%) 3.900 1.900 1.900 peak 380 spectrum 1 weight 0.10000E+01 volume 0.69597E-03 ppm1 3.340 ppm2 1.163 CV 1 ASSI { 381} (( segid " " and resid 798 and name HA )) ( segid " " and resid 836 and name HD2%) 3.300 1.300 1.300 peak 381 spectrum 1 weight 0.10000E+01 volume 0.10703E-02 ppm1 5.007 ppm2 0.690 CV 1 ASSI { 384} (( segid " " and resid 799 and name HB3 )) (( segid " " and resid 799 and name H )) 2.900 1.000 1.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.20199E-02 ppm1 2.597 ppm2 7.577 CV 1 ASSI { 385} (( segid " " and resid 799 and name HA )) (( segid " " and resid 799 and name H )) 2.600 0.800 0.800 peak 385 spectrum 1 weight 0.10000E+01 volume 0.39285E-02 ppm1 4.235 ppm2 7.573 CV 1 ASSI { 386} (( segid " " and resid 799 and name HB2 )) (( segid " " and resid 799 and name H )) 3.000 1.100 1.100 peak 386 spectrum 1 weight 0.10000E+01 volume 0.19673E-02 ppm1 2.644 ppm2 7.569 CV 1 ASSI { 389} (( segid " " and resid 799 and name HA )) (( segid " " and resid 800 and name H )) 3.200 1.300 1.300 peak 389 spectrum 1 weight 0.10000E+01 volume 0.16023E-02 ppm1 4.233 ppm2 8.440 CV 1 ASSI { 390} (( segid " " and resid 799 and name HA )) (( segid " " and resid 803 and name H )) 3.500 1.500 1.500 peak 390 spectrum 1 weight 0.10000E+01 volume 0.10827E-02 ppm1 4.233 ppm2 8.228 CV 1 ASSI { 392} (( segid " " and resid 865 and name HB3 )) (( segid " " and resid 866 and name H )) 2.900 1.100 1.100 peak 392 spectrum 1 weight 0.10000E+01 volume 0.16642E-02 ppm1 2.570 ppm2 8.361 CV 1 ASSI { 395} (( segid " " and resid 799 and name HB3 )) (( segid " " and resid 799 and name HA )) 3.000 1.200 1.200 peak 395 spectrum 1 weight 0.10000E+01 volume 0.23230E-02 ppm1 2.598 ppm2 4.232 CV 1 ASSI { 399} (( segid " " and resid 799 and name HA )) (( segid " " and resid 799 and name HB2 )) 2.500 0.800 0.800 peak 399 spectrum 1 weight 0.10000E+01 volume 0.40336E-02 ppm1 4.232 ppm2 2.643 CV 1 ASSI { 400} (( segid " " and resid 799 and name HA )) ( segid " " and resid 802 and name HG2%) 3.600 1.700 1.700 peak 400 spectrum 1 weight 0.10000E+01 volume 0.90324E-03 ppm1 4.233 ppm2 1.161 CV 1 ASSI { 401} (( segid " " and resid 870 and name HA )) ( segid " " and resid 893 and name HB% ) 2.400 0.700 0.700 peak 401 spectrum 1 weight 0.10000E+01 volume 0.48565E-02 ppm1 4.179 ppm2 1.407 CV 1 ASSI { 402} (( segid " " and resid 836 and name HA )) (( segid " " and resid 836 and name HB3 )) 2.700 0.900 0.900 peak 402 spectrum 1 weight 0.10000E+01 volume 0.21343E-02 ppm1 4.247 ppm2 1.388 CV 1 ASSI { 404} (( segid " " and resid 800 and name HA )) (( segid " " and resid 800 and name H )) 2.500 0.800 0.800 peak 404 spectrum 1 weight 0.10000E+01 volume 0.44296E-02 ppm1 4.069 ppm2 8.450 CV 1 ASSI { 405} (( segid " " and resid 800 and name HB2 )) (( segid " " and resid 800 and name H )) 2.400 0.700 0.700 peak 405 spectrum 1 weight 0.10000E+01 volume 0.59760E-02 ppm1 2.031 ppm2 8.452 CV 1 OR { 405} (( segid " " and resid 800 and name HB3 )) (( segid " " and resid 800 and name H )) ASSI { 406} (( segid " " and resid 800 and name HG2 )) (( segid " " and resid 800 and name H )) 3.500 1.500 1.500 peak 406 spectrum 1 weight 0.10000E+01 volume 0.13363E-02 ppm1 2.364 ppm2 8.452 CV 1 ASSI { 407} (( segid " " and resid 800 and name HG2 )) (( segid " " and resid 801 and name H )) 3.800 1.800 1.800 peak 407 spectrum 1 weight 0.10000E+01 volume 0.71766E-03 ppm1 2.366 ppm2 8.238 CV 1 ASSI { 408} (( segid " " and resid 800 and name HG3 )) (( segid " " and resid 800 and name H )) 3.600 1.600 1.600 peak 408 spectrum 1 weight 0.10000E+01 volume 0.12714E-02 ppm1 2.301 ppm2 8.452 CV 1 ASSI { 409} (( segid " " and resid 800 and name HG3 )) (( segid " " and resid 801 and name H )) 4.100 2.100 1.900 peak 409 spectrum 1 weight 0.10000E+01 volume 0.64649E-03 ppm1 2.303 ppm2 8.237 CV 1 ASSI { 410} (( segid " " and resid 800 and name HB3 )) (( segid " " and resid 801 and name H )) 2.600 0.800 0.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.34923E-02 ppm1 2.030 ppm2 8.239 CV 1 ASSI { 411} (( segid " " and resid 851 and name HA )) (( segid " " and resid 851 and name H )) 2.400 0.700 0.700 peak 411 spectrum 1 weight 0.10000E+01 volume 0.59948E-02 ppm1 4.078 ppm2 8.234 CV 1 ASSI { 412} (( segid " " and resid 851 and name HA )) (( segid " " and resid 854 and name H )) 3.100 1.200 1.200 peak 412 spectrum 1 weight 0.10000E+01 volume 0.15714E-02 ppm1 4.082 ppm2 8.046 CV 1 ASSI { 413} (( segid " " and resid 800 and name HG3 )) (( segid " " and resid 800 and name HA )) 2.900 1.100 1.100 peak 413 spectrum 1 weight 0.10000E+01 volume 0.21282E-02 ppm1 2.302 ppm2 4.071 CV 1 ASSI { 414} (( segid " " and resid 800 and name HG2 )) (( segid " " and resid 800 and name HA )) 3.100 1.200 1.200 peak 414 spectrum 1 weight 0.10000E+01 volume 0.22086E-02 ppm1 2.366 ppm2 4.071 CV 1 ASSI { 418} (( segid " " and resid 800 and name HA )) (( segid " " and resid 803 and name HB2 )) 2.900 1.100 1.100 peak 418 spectrum 1 weight 0.10000E+01 volume 0.26169E-02 ppm1 4.071 ppm2 2.807 CV 1 ASSI { 419} (( segid " " and resid 800 and name HA )) (( segid " " and resid 803 and name HB3 )) 2.800 1.000 1.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.24499E-02 ppm1 4.071 ppm2 2.636 CV 1 ASSI { 425} (( segid " " and resid 800 and name HG3 )) (( segid " " and resid 800 and name HG2 )) 1.400 0.200 0.800 peak 425 spectrum 1 weight 0.10000E+01 volume 0.64149E-01 ppm1 2.298 ppm2 2.370 CV 1 ASSI { 426} (( segid " " and resid 800 and name HG3 )) (( segid " " and resid 800 and name HB2 )) 2.500 0.800 0.800 peak 426 spectrum 1 weight 0.10000E+01 volume 0.59049E-02 ppm1 2.301 ppm2 2.035 CV 1 OR { 426} (( segid " " and resid 800 and name HG3 )) (( segid " " and resid 800 and name HB3 )) ASSI { 427} (( segid " " and resid 800 and name HG2 )) (( segid " " and resid 800 and name HB3 )) 2.500 0.800 0.800 peak 427 spectrum 1 weight 0.10000E+01 volume 0.54225E-02 ppm1 2.367 ppm2 2.036 CV 1 OR { 427} (( segid " " and resid 800 and name HG2 )) (( segid " " and resid 800 and name HB2 )) ASSI { 428} (( segid " " and resid 800 and name HA )) (( segid " " and resid 800 and name HB2 )) 2.300 0.700 0.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.95149E-02 ppm1 4.072 ppm2 2.033 CV 1 OR { 428} (( segid " " and resid 800 and name HA )) (( segid " " and resid 800 and name HB3 )) ASSI { 430} ( segid " " and resid 801 and name HB% ) (( segid " " and resid 801 and name H )) 2.100 0.600 0.600 peak 430 spectrum 1 weight 0.10000E+01 volume 0.12206E-01 ppm1 1.536 ppm2 8.239 CV 1 ASSI { 431} ( segid " " and resid 801 and name HB% ) (( segid " " and resid 802 and name H )) 2.500 0.800 0.800 peak 431 spectrum 1 weight 0.10000E+01 volume 0.44791E-02 ppm1 1.535 ppm2 8.417 CV 1 ASSI { 432} (( segid " " and resid 801 and name HA )) (( segid " " and resid 802 and name H )) 3.500 1.500 1.500 peak 432 spectrum 1 weight 0.10000E+01 volume 0.98986E-03 ppm1 4.177 ppm2 8.418 CV 1 ASSI { 433} (( segid " " and resid 801 and name HA )) (( segid " " and resid 801 and name H )) 2.600 0.800 0.800 peak 433 spectrum 1 weight 0.10000E+01 volume 0.43863E-02 ppm1 4.177 ppm2 8.239 CV 1 ASSI { 434} (( segid " " and resid 801 and name HA )) (( segid " " and resid 804 and name H )) 3.200 1.200 1.200 peak 434 spectrum 1 weight 0.10000E+01 volume 0.13177E-02 ppm1 4.178 ppm2 7.951 CV 1 ASSI { 435} (( segid " " and resid 801 and name HA )) (( segid " " and resid 805 and name H )) 3.900 1.900 1.900 peak 435 spectrum 1 weight 0.10000E+01 volume 0.54751E-03 ppm1 4.176 ppm2 7.879 CV 1 ASSI { 436} ( segid " " and resid 801 and name HB% ) (( segid " " and resid 804 and name H )) 4.000 2.000 2.000 peak 436 spectrum 1 weight 0.10000E+01 volume 0.60629E-03 ppm1 1.535 ppm2 7.949 CV 1 ASSI { 437} ( segid " " and resid 801 and name HB% ) (( segid " " and resid 836 and name H )) 3.700 1.700 1.700 peak 437 spectrum 1 weight 0.10000E+01 volume 0.11229E-02 ppm1 1.535 ppm2 7.592 CV 1 ASSI { 438} ( segid " " and resid 801 and name HB% ) ( segid " " and resid 798 and name HD% ) 3.600 1.600 1.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.11878E-02 ppm1 1.536 ppm2 6.924 CV 1 ASSI { 439} ( segid " " and resid 801 and name HB% ) (( segid " " and resid 798 and name HA )) 3.100 1.200 1.200 peak 439 spectrum 1 weight 0.10000E+01 volume 0.16827E-02 ppm1 1.535 ppm2 5.005 CV 1 ASSI { 440} ( segid " " and resid 801 and name HB% ) (( segid " " and resid 804 and name HB )) 3.600 1.600 1.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.86921E-03 ppm1 1.537 ppm2 4.330 CV 1 ASSI { 441} ( segid " " and resid 801 and name HB% ) (( segid " " and resid 836 and name HA )) 4.000 2.000 2.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.14229E-02 ppm1 1.535 ppm2 4.245 CV 1 ASSI { 442} ( segid " " and resid 801 and name HB% ) (( segid " " and resid 801 and name HA )) 2.100 0.600 0.600 peak 442 spectrum 1 weight 0.10000E+01 volume 0.11946E-01 ppm1 1.536 ppm2 4.178 CV 1 ASSI { 443} (( segid " " and resid 801 and name HA )) (( segid " " and resid 804 and name HB )) 2.800 1.000 1.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.24375E-02 ppm1 4.176 ppm2 4.328 CV 1 ASSI { 444} ( segid " " and resid 801 and name HB% ) (( segid " " and resid 833 and name HA )) 4.300 2.300 1.700 peak 444 spectrum 1 weight 0.10000E+01 volume 0.47018E-03 ppm1 1.535 ppm2 3.857 CV 1 ASSI { 445} ( segid " " and resid 801 and name HB% ) (( segid " " and resid 802 and name HA )) 3.800 1.800 1.800 peak 445 spectrum 1 weight 0.10000E+01 volume 0.71143E-03 ppm1 1.535 ppm2 3.730 CV 1 ASSI { 447} ( segid " " and resid 801 and name HB% ) (( segid " " and resid 800 and name HB3 )) 3.400 1.500 1.500 peak 447 spectrum 1 weight 0.10000E+01 volume 0.11198E-02 ppm1 1.536 ppm2 2.032 CV 1 ASSI { 448} ( segid " " and resid 801 and name HB% ) (( segid " " and resid 836 and name HB2 )) 4.000 2.000 2.000 peak 448 spectrum 1 weight 0.10000E+01 volume 0.12651E-02 ppm1 1.535 ppm2 1.903 CV 1 ASSI { 449} (( segid " " and resid 801 and name HA )) (( segid " " and resid 800 and name HB3 )) 3.500 1.600 1.600 peak 449 spectrum 1 weight 0.10000E+01 volume 0.61863E-03 ppm1 4.180 ppm2 2.031 CV 1 ASSI { 451} ( segid " " and resid 801 and name HB% ) ( segid " " and resid 832 and name HB% ) 3.400 1.500 1.500 peak 451 spectrum 1 weight 0.10000E+01 volume 0.97441E-03 ppm1 1.533 ppm2 1.446 CV 1 ASSI { 452} ( segid " " and resid 801 and name HB% ) (( segid " " and resid 836 and name HB3 )) 4.200 2.200 1.800 peak 452 spectrum 1 weight 0.10000E+01 volume 0.13580E-02 ppm1 1.533 ppm2 1.384 CV 1 ASSI { 453} ( segid " " and resid 801 and name HB% ) (( segid " " and resid 836 and name HG )) 3.600 1.700 1.700 peak 453 spectrum 1 weight 0.10000E+01 volume 0.43615E-03 ppm1 1.537 ppm2 1.234 CV 1 ASSI { 454} ( segid " " and resid 801 and name HB% ) ( segid " " and resid 802 and name HG2%) 3.400 1.400 1.400 peak 454 spectrum 1 weight 0.10000E+01 volume 0.13580E-02 ppm1 1.535 ppm2 1.161 CV 1 ASSI { 455} ( segid " " and resid 801 and name HB% ) ( segid " " and resid 804 and name HG2%) 3.800 1.800 1.800 peak 455 spectrum 1 weight 0.10000E+01 volume 0.92487E-03 ppm1 1.535 ppm2 1.088 CV 1 ASSI { 458} ( segid " " and resid 801 and name HB% ) ( segid " " and resid 836 and name HD2%) 2.200 0.600 0.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.10229E-01 ppm1 1.536 ppm2 0.690 CV 1 ASSI { 459} (( segid " " and resid 802 and name HA )) (( segid " " and resid 802 and name H )) 2.800 1.000 1.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.20230E-02 ppm1 3.729 ppm2 8.417 CV 1 ASSI { 460} (( segid " " and resid 802 and name HA )) (( segid " " and resid 803 and name H )) 3.300 1.400 1.400 peak 460 spectrum 1 weight 0.10000E+01 volume 0.90941E-03 ppm1 3.728 ppm2 8.226 CV 1 ASSI { 462} (( segid " " and resid 802 and name HB )) (( segid " " and resid 803 and name H )) 3.300 1.400 1.400 peak 462 spectrum 1 weight 0.10000E+01 volume 0.12311E-02 ppm1 4.133 ppm2 8.226 CV 1 ASSI { 463} ( segid " " and resid 802 and name HG2%) (( segid " " and resid 802 and name H )) 2.300 0.700 0.700 peak 463 spectrum 1 weight 0.10000E+01 volume 0.54751E-02 ppm1 1.162 ppm2 8.417 CV 1 ASSI { 465} (( segid " " and resid 802 and name HA )) (( segid " " and resid 805 and name H )) 3.000 1.100 1.100 peak 465 spectrum 1 weight 0.10000E+01 volume 0.13734E-02 ppm1 3.727 ppm2 7.883 CV 1 ASSI { 468} ( segid " " and resid 802 and name HG2%) (( segid " " and resid 905 and name H )) 3.200 1.300 1.300 peak 468 spectrum 1 weight 0.10000E+01 volume 0.18312E-02 ppm1 1.162 ppm2 7.824 CV 1 ASSI { 469} ( segid " " and resid 802 and name HG2%) ( segid " " and resid 798 and name HD% ) 3.900 1.900 1.900 peak 469 spectrum 1 weight 0.10000E+01 volume 0.89707E-03 ppm1 1.163 ppm2 6.924 CV 1 ASSI { 470} ( segid " " and resid 802 and name HG2%) (( segid " " and resid 798 and name HA )) 3.800 1.800 1.800 peak 470 spectrum 1 weight 0.10000E+01 volume 0.55061E-03 ppm1 1.162 ppm2 5.004 CV 1 ASSI { 471} ( segid " " and resid 802 and name HG2%) (( segid " " and resid 802 and name HB )) 2.100 0.500 0.500 peak 471 spectrum 1 weight 0.10000E+01 volume 0.11516E-01 ppm1 1.162 ppm2 4.134 CV 1 ASSI { 472} (( segid " " and resid 802 and name HB )) (( segid " " and resid 799 and name HA )) 3.900 1.900 1.900 peak 472 spectrum 1 weight 0.10000E+01 volume 0.14043E-02 ppm1 4.135 ppm2 4.230 CV 1 ASSI { 473} (( segid " " and resid 802 and name HA )) (( segid " " and resid 802 and name HB )) 2.700 0.900 0.900 peak 473 spectrum 1 weight 0.10000E+01 volume 0.25365E-02 ppm1 3.728 ppm2 4.134 CV 1 ASSI { 475} ( segid " " and resid 802 and name HG2%) (( segid " " and resid 802 and name HA )) 2.300 0.600 0.600 peak 475 spectrum 1 weight 0.10000E+01 volume 0.77642E-02 ppm1 1.162 ppm2 3.727 CV 1 ASSI { 476} ( segid " " and resid 802 and name HG2%) (( segid " " and resid 798 and name HB3 )) 2.800 1.000 1.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.17013E-02 ppm1 1.163 ppm2 2.734 CV 1 ASSI { 477} (( segid " " and resid 802 and name HA )) (( segid " " and resid 805 and name HB )) 2.600 0.900 0.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.26880E-02 ppm1 3.728 ppm2 1.848 CV 1 ASSI { 478} (( segid " " and resid 802 and name HA )) (( segid " " and resid 805 and name HG13)) 3.700 1.700 1.700 peak 478 spectrum 1 weight 0.10000E+01 volume 0.54442E-03 ppm1 3.728 ppm2 1.692 CV 1 ASSI { 480} ( segid " " and resid 802 and name HG2%) ( segid " " and resid 905 and name HB% ) 2.300 0.700 0.700 peak 480 spectrum 1 weight 0.10000E+01 volume 0.64091E-02 ppm1 1.162 ppm2 1.513 CV 1 ASSI { 481} ( segid " " and resid 802 and name HG2%) ( segid " " and resid 904 and name HB% ) 3.100 1.200 1.200 peak 481 spectrum 1 weight 0.10000E+01 volume 0.16147E-02 ppm1 1.162 ppm2 1.304 CV 1 ASSI { 484} (( segid " " and resid 802 and name HA )) ( segid " " and resid 901 and name HG2%) 2.800 0.900 0.900 peak 484 spectrum 1 weight 0.10000E+01 volume 0.23911E-02 ppm1 3.727 ppm2 1.085 CV 1 ASSI { 486} (( segid " " and resid 802 and name HA )) ( segid " " and resid 806 and name HD2%) 3.900 1.900 1.900 peak 486 spectrum 1 weight 0.10000E+01 volume 0.70526E-03 ppm1 3.729 ppm2 0.861 CV 1 ASSI { 487} (( segid " " and resid 802 and name HA )) ( segid " " and resid 806 and name HD1%) 4.100 2.100 1.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.36810E-03 ppm1 3.726 ppm2 0.813 CV 1 ASSI { 488} (( segid " " and resid 802 and name HA )) ( segid " " and resid 805 and name HD1%) 2.600 0.800 0.800 peak 488 spectrum 1 weight 0.10000E+01 volume 0.37367E-02 ppm1 3.728 ppm2 0.717 CV 1 ASSI { 492} (( segid " " and resid 901 and name HB )) ( segid " " and resid 805 and name HG2%) 3.600 1.600 1.600 peak 492 spectrum 1 weight 0.10000E+01 volume 0.92181E-03 ppm1 4.126 ppm2 0.716 CV 1 OR { 492} (( segid " " and resid 901 and name HB )) ( segid " " and resid 805 and name HD1%) ASSI { 493} ( segid " " and resid 802 and name HG2%) ( segid " " and resid 836 and name HD2%) 2.500 0.800 0.800 peak 493 spectrum 1 weight 0.10000E+01 volume 0.48348E-02 ppm1 1.163 ppm2 0.694 CV 1 ASSI { 494} ( segid " " and resid 802 and name HG2%) ( segid " " and resid 836 and name HD1%) 2.300 0.700 0.700 peak 494 spectrum 1 weight 0.10000E+01 volume 0.63227E-02 ppm1 1.163 ppm2 0.659 CV 1 ASSI { 495} ( segid " " and resid 802 and name HG2%) ( segid " " and resid 806 and name HD2%) 3.200 1.200 1.200 peak 495 spectrum 1 weight 0.10000E+01 volume 0.36934E-02 ppm1 1.162 ppm2 0.860 CV 1 ASSI { 496} (( segid " " and resid 803 and name HA )) (( segid " " and resid 804 and name H )) 3.300 1.300 1.300 peak 496 spectrum 1 weight 0.10000E+01 volume 0.12497E-02 ppm1 4.374 ppm2 7.950 CV 1 ASSI { 497} (( segid " " and resid 803 and name HB3 )) (( segid " " and resid 804 and name H )) 2.800 0.900 0.900 peak 497 spectrum 1 weight 0.10000E+01 volume 0.23571E-02 ppm1 2.634 ppm2 7.949 CV 1 ASSI { 498} (( segid " " and resid 803 and name HB2 )) (( segid " " and resid 804 and name H )) 3.600 1.600 1.600 peak 498 spectrum 1 weight 0.10000E+01 volume 0.21808E-02 ppm1 2.808 ppm2 7.949 CV 1 ASSI { 499} (( segid " " and resid 803 and name HB2 )) (( segid " " and resid 803 and name H )) 2.400 0.700 0.700 peak 499 spectrum 1 weight 0.10000E+01 volume 0.55308E-02 ppm1 2.807 ppm2 8.223 CV 1 ASSI { 500} (( segid " " and resid 803 and name HB3 )) (( segid " " and resid 803 and name H )) 2.600 0.900 0.900 peak 500 spectrum 1 weight 0.10000E+01 volume 0.35016E-02 ppm1 2.632 ppm2 8.223 CV 1 ASSI { 501} (( segid " " and resid 803 and name HA )) (( segid " " and resid 803 and name H )) 2.700 0.900 0.900 peak 501 spectrum 1 weight 0.10000E+01 volume 0.33717E-02 ppm1 4.374 ppm2 8.223 CV 1 ASSI { 502} (( segid " " and resid 835 and name HA )) (( segid " " and resid 835 and name H )) 2.500 0.800 0.800 peak 502 spectrum 1 weight 0.10000E+01 volume 0.53700E-02 ppm1 4.390 ppm2 8.117 CV 1 ASSI { 503} (( segid " " and resid 803 and name HA )) (( segid " " and resid 806 and name H )) 3.300 1.400 1.400 peak 503 spectrum 1 weight 0.10000E+01 volume 0.14291E-02 ppm1 4.376 ppm2 8.462 CV 1 ASSI { 504} (( segid " " and resid 803 and name HA )) (( segid " " and resid 807 and name H )) 3.700 1.700 1.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.59084E-03 ppm1 4.376 ppm2 8.292 CV 1 ASSI { 507} (( segid " " and resid 803 and name HB2 )) (( segid " " and resid 803 and name HA )) 2.600 0.800 0.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.36872E-02 ppm1 2.809 ppm2 4.376 CV 1 ASSI { 510} (( segid " " and resid 803 and name HB2 )) (( segid " " and resid 803 and name HB3 )) 1.800 0.400 0.400 peak 510 spectrum 1 weight 0.10000E+01 volume 0.13382E-01 ppm1 2.809 ppm2 2.636 CV 1 ASSI { 513} (( segid " " and resid 803 and name HA )) (( segid " " and resid 803 and name HB3 )) 2.800 1.000 1.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.46678E-02 ppm1 4.376 ppm2 2.633 CV 1 ASSI { 514} (( segid " " and resid 803 and name HA )) (( segid " " and resid 806 and name HB2 )) 2.800 1.000 1.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.17044E-02 ppm1 4.374 ppm2 1.951 CV 1 ASSI { 515} (( segid " " and resid 803 and name HA )) (( segid " " and resid 806 and name HG )) 4.200 2.200 1.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.81045E-03 ppm1 4.372 ppm2 1.858 CV 1 ASSI { 516} (( segid " " and resid 803 and name HA )) ( segid " " and resid 802 and name HG2%) 4.200 2.200 1.800 peak 516 spectrum 1 weight 0.10000E+01 volume 0.64338E-03 ppm1 4.375 ppm2 1.164 CV 1 ASSI { 517} (( segid " " and resid 803 and name HA )) ( segid " " and resid 901 and name HG2%) 4.400 2.500 1.600 peak 517 spectrum 1 weight 0.10000E+01 volume 0.38975E-03 ppm1 4.373 ppm2 1.089 CV 1 ASSI { 519} (( segid " " and resid 803 and name HA )) ( segid " " and resid 806 and name HD1%) 4.400 2.400 1.600 peak 519 spectrum 1 weight 0.10000E+01 volume 0.41450E-03 ppm1 4.375 ppm2 0.798 CV 1 ASSI { 520} ( segid " " and resid 867 and name HG2%) (( segid " " and resid 868 and name H )) 3.000 1.100 1.100 peak 520 spectrum 1 weight 0.10000E+01 volume 0.30623E-02 ppm1 1.091 ppm2 7.950 CV 1 ASSI { 521} (( segid " " and resid 804 and name HA )) (( segid " " and resid 804 and name H )) 2.700 0.900 0.900 peak 521 spectrum 1 weight 0.10000E+01 volume 0.29819E-02 ppm1 3.868 ppm2 7.950 CV 1 ASSI { 522} (( segid " " and resid 804 and name HA )) (( segid " " and resid 805 and name H )) 3.600 1.600 1.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.68052E-03 ppm1 3.868 ppm2 7.880 CV 1 ASSI { 524} (( segid " " and resid 804 and name HB )) (( segid " " and resid 805 and name H )) 2.800 1.000 1.000 peak 524 spectrum 1 weight 0.10000E+01 volume 0.14817E-02 ppm1 4.327 ppm2 7.882 CV 1 ASSI { 525} ( segid " " and resid 804 and name HG2%) (( segid " " and resid 805 and name H )) 3.200 1.300 1.300 peak 525 spectrum 1 weight 0.10000E+01 volume 0.23200E-02 ppm1 1.090 ppm2 7.882 CV 1 ASSI { 527} ( segid " " and resid 804 and name HG2%) (( segid " " and resid 808 and name H )) 3.700 1.700 1.700 peak 527 spectrum 1 weight 0.10000E+01 volume 0.11569E-02 ppm1 1.090 ppm2 8.543 CV 1 ASSI { 528} (( segid " " and resid 804 and name HA )) (( segid " " and resid 807 and name HB )) 2.600 0.900 0.900 peak 528 spectrum 1 weight 0.10000E+01 volume 0.33841E-02 ppm1 3.868 ppm2 4.309 CV 1 ASSI { 529} ( segid " " and resid 804 and name HG2%) (( segid " " and resid 804 and name HB )) 2.100 0.600 0.600 peak 529 spectrum 1 weight 0.10000E+01 volume 0.11492E-01 ppm1 1.091 ppm2 4.328 CV 1 ASSI { 536} ( segid " " and resid 804 and name HG2%) ( segid " " and resid 832 and name HB% ) 2.400 0.700 0.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.77766E-02 ppm1 1.092 ppm2 1.429 CV 1 ASSI { 537} (( segid " " and resid 805 and name HA )) (( segid " " and resid 809 and name H )) 3.800 1.800 1.800 peak 537 spectrum 1 weight 0.10000E+01 volume 0.42687E-03 ppm1 3.298 ppm2 7.969 CV 1 ASSI { 539} (( segid " " and resid 805 and name HA )) (( segid " " and resid 805 and name H )) 2.800 1.000 1.000 peak 539 spectrum 1 weight 0.10000E+01 volume 0.20973E-02 ppm1 3.291 ppm2 7.882 CV 1 ASSI { 540} (( segid " " and resid 805 and name HA )) (( segid " " and resid 808 and name H )) 3.500 1.500 1.500 peak 540 spectrum 1 weight 0.10000E+01 volume 0.67123E-03 ppm1 3.294 ppm2 8.543 CV 1 ASSI { 541} (( segid " " and resid 805 and name HA )) (( segid " " and resid 806 and name H )) 3.500 1.500 1.500 peak 541 spectrum 1 weight 0.10000E+01 volume 0.70526E-03 ppm1 3.292 ppm2 8.462 CV 1 ASSI { 542} (( segid " " and resid 805 and name HB )) (( segid " " and resid 806 and name H )) 2.900 1.100 1.100 peak 542 spectrum 1 weight 0.10000E+01 volume 0.94655E-03 ppm1 1.842 ppm2 8.462 CV 1 ASSI { 543} ( segid " " and resid 805 and name HD1%) (( segid " " and resid 806 and name H )) 4.100 2.100 1.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.95272E-03 ppm1 0.714 ppm2 8.459 CV 1 ASSI { 544} ( segid " " and resid 805 and name HD1%) (( segid " " and resid 833 and name H )) 3.500 1.500 1.500 peak 544 spectrum 1 weight 0.10000E+01 volume 0.97129E-03 ppm1 0.713 ppm2 8.710 CV 1 ASSI { 545} ( segid " " and resid 805 and name HD1%) (( segid " " and resid 805 and name H )) 3.200 1.300 1.300 peak 545 spectrum 1 weight 0.10000E+01 volume 0.27871E-02 ppm1 0.714 ppm2 7.882 CV 1 ASSI { 547} ( segid " " and resid 805 and name HG2%) (( segid " " and resid 809 and name H )) 3.300 1.400 1.400 peak 547 spectrum 1 weight 0.10000E+01 volume 0.13332E-02 ppm1 0.728 ppm2 7.967 CV 1 ASSI { 548} ( segid " " and resid 805 and name HG2%) (( segid " " and resid 805 and name H )) 3.400 1.400 1.400 peak 548 spectrum 1 weight 0.10000E+01 volume 0.26293E-02 ppm1 0.729 ppm2 7.883 CV 1 ASSI { 549} ( segid " " and resid 805 and name HG2%) (( segid " " and resid 806 and name H )) 2.900 1.100 1.100 peak 549 spectrum 1 weight 0.10000E+01 volume 0.25643E-02 ppm1 0.729 ppm2 8.461 CV 1 ASSI { 550} ( segid " " and resid 805 and name HG2%) (( segid " " and resid 804 and name HB )) 4.600 2.700 1.400 peak 550 spectrum 1 weight 0.10000E+01 volume 0.60012E-03 ppm1 0.729 ppm2 4.334 CV 1 ASSI { 551} ( segid " " and resid 805 and name HG2%) (( segid " " and resid 809 and name HB )) 3.200 1.300 1.300 peak 551 spectrum 1 weight 0.10000E+01 volume 0.15002E-02 ppm1 0.728 ppm2 4.213 CV 1 ASSI { 552} ( segid " " and resid 805 and name HG2%) (( segid " " and resid 901 and name HB )) 2.900 1.000 1.000 peak 552 spectrum 1 weight 0.10000E+01 volume 0.26510E-02 ppm1 0.728 ppm2 4.127 CV 1 ASSI { 553} ( segid " " and resid 805 and name HD1%) (( segid " " and resid 804 and name HB )) 4.000 2.000 2.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.69909E-03 ppm1 0.714 ppm2 4.334 CV 1 ASSI { 554} ( segid " " and resid 805 and name HD1%) (( segid " " and resid 832 and name HA )) 3.300 1.400 1.400 peak 554 spectrum 1 weight 0.10000E+01 volume 0.17910E-02 ppm1 0.714 ppm2 4.207 CV 1 ASSI { 556} ( segid " " and resid 805 and name HD1%) (( segid " " and resid 833 and name HB )) 4.000 2.000 2.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.82902E-03 ppm1 0.714 ppm2 4.051 CV 1 ASSI { 557} ( segid " " and resid 805 and name HD1%) (( segid " " and resid 806 and name HA )) 4.700 2.800 1.300 peak 557 spectrum 1 weight 0.10000E+01 volume 0.42378E-03 ppm1 0.714 ppm2 3.934 CV 1 ASSI { 558} ( segid " " and resid 805 and name HD1%) (( segid " " and resid 833 and name HA )) 2.400 0.700 0.700 peak 558 spectrum 1 weight 0.10000E+01 volume 0.41079E-02 ppm1 0.714 ppm2 3.849 CV 1 ASSI { 559} ( segid " " and resid 805 and name HG2%) (( segid " " and resid 806 and name HA )) 3.000 1.100 1.100 peak 559 spectrum 1 weight 0.10000E+01 volume 0.14415E-02 ppm1 0.729 ppm2 3.949 CV 1 ASSI { 560} ( segid " " and resid 805 and name HG2%) (( segid " " and resid 833 and name HA )) 4.500 2.600 1.500 peak 560 spectrum 1 weight 0.10000E+01 volume 0.77642E-03 ppm1 0.728 ppm2 3.840 CV 1 ASSI { 561} ( segid " " and resid 805 and name HG2%) (( segid " " and resid 802 and name HA )) 3.600 1.600 1.600 peak 561 spectrum 1 weight 0.10000E+01 volume 0.18498E-02 ppm1 0.729 ppm2 3.724 CV 1 ASSI { 565} ( segid " " and resid 805 and name HD1%) (( segid " " and resid 805 and name HA )) 3.500 1.500 1.500 peak 565 spectrum 1 weight 0.10000E+01 volume 0.23169E-02 ppm1 0.714 ppm2 3.292 CV 1 ASSI { 566} (( segid " " and resid 805 and name HG12)) (( segid " " and resid 805 and name HA )) 3.200 1.300 1.300 peak 566 spectrum 1 weight 0.10000E+01 volume 0.84136E-03 ppm1 0.862 ppm2 3.293 CV 1 ASSI { 567} ( segid " " and resid 805 and name HG2%) (( segid " " and resid 805 and name HA )) 2.400 0.700 0.700 peak 567 spectrum 1 weight 0.10000E+01 volume 0.47760E-02 ppm1 0.729 ppm2 3.293 CV 1 ASSI { 568} (( segid " " and resid 805 and name HA )) (( segid " " and resid 808 and name HB )) 3.000 1.100 1.100 peak 568 spectrum 1 weight 0.10000E+01 volume 0.12466E-02 ppm1 3.293 ppm2 1.965 CV 1 ASSI { 569} (( segid " " and resid 805 and name HA )) (( segid " " and resid 805 and name HB )) 3.000 1.100 1.100 peak 569 spectrum 1 weight 0.10000E+01 volume 0.13982E-02 ppm1 3.292 ppm2 1.848 CV 1 ASSI { 570} (( segid " " and resid 805 and name HA )) (( segid " " and resid 805 and name HG13)) 2.900 1.000 1.000 peak 570 spectrum 1 weight 0.10000E+01 volume 0.19580E-02 ppm1 3.292 ppm2 1.693 CV 1 ASSI { 571} ( segid " " and resid 805 and name HD1%) (( segid " " and resid 805 and name HB )) 2.400 0.700 0.700 peak 571 spectrum 1 weight 0.10000E+01 volume 0.46802E-02 ppm1 0.714 ppm2 1.849 CV 1 ASSI { 572} ( segid " " and resid 805 and name HD1%) (( segid " " and resid 805 and name HG13)) 2.200 0.600 0.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.68580E-02 ppm1 0.714 ppm2 1.692 CV 1 ASSI { 573} ( segid " " and resid 805 and name HG2%) (( segid " " and resid 805 and name HB )) 2.100 0.500 0.500 peak 573 spectrum 1 weight 0.10000E+01 volume 0.80175E-02 ppm1 0.729 ppm2 1.849 CV 1 ASSI { 574} ( segid " " and resid 805 and name HG2%) (( segid " " and resid 805 and name HG13)) 3.200 1.300 1.300 peak 574 spectrum 1 weight 0.10000E+01 volume 0.28953E-02 ppm1 0.729 ppm2 1.693 CV 1 ASSI { 575} ( segid " " and resid 805 and name HG2%) (( segid " " and resid 808 and name HB )) 3.900 1.900 1.900 peak 575 spectrum 1 weight 0.10000E+01 volume 0.13734E-02 ppm1 0.728 ppm2 1.966 CV 1 ASSI { 577} ( segid " " and resid 805 and name HD1%) ( segid " " and resid 801 and name HB% ) 3.200 1.300 1.300 peak 577 spectrum 1 weight 0.10000E+01 volume 0.20385E-02 ppm1 0.713 ppm2 1.535 CV 1 ASSI { 579} ( segid " " and resid 805 and name HG2%) (( segid " " and resid 897 and name HG )) 3.300 1.400 1.400 peak 579 spectrum 1 weight 0.10000E+01 volume 0.24221E-02 ppm1 0.728 ppm2 1.390 CV 1 ASSI { 580} ( segid " " and resid 805 and name HG2%) ( segid " " and resid 809 and name HG2%) 3.300 1.300 1.300 peak 580 spectrum 1 weight 0.10000E+01 volume 0.26200E-02 ppm1 0.728 ppm2 1.167 CV 1 ASSI { 581} ( segid " " and resid 805 and name HG2%) ( segid " " and resid 901 and name HG2%) 2.300 0.700 0.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.92828E-02 ppm1 0.729 ppm2 1.089 CV 1 ASSI { 583} ( segid " " and resid 805 and name HD1%) ( segid " " and resid 901 and name HG2%) 2.300 0.700 0.700 peak 583 spectrum 1 weight 0.10000E+01 volume 0.73282E-02 ppm1 0.714 ppm2 1.095 CV 1 ASSI { 584} ( segid " " and resid 805 and name HD1%) ( segid " " and resid 837 and name HG2%) 4.300 2.300 1.700 peak 584 spectrum 1 weight 0.10000E+01 volume 0.56298E-03 ppm1 0.712 ppm2 0.999 CV 1 ASSI { 585} (( segid " " and resid 805 and name HA )) ( segid " " and resid 804 and name HG2%) 3.200 1.300 1.300 peak 585 spectrum 1 weight 0.10000E+01 volume 0.12497E-02 ppm1 3.293 ppm2 1.092 CV 1 ASSI { 586} (( segid " " and resid 805 and name HA )) ( segid " " and resid 808 and name HG1%) 3.500 1.500 1.500 peak 586 spectrum 1 weight 0.10000E+01 volume 0.15064E-02 ppm1 3.292 ppm2 1.002 CV 1 OR { 586} (( segid " " and resid 805 and name HA )) ( segid " " and resid 808 and name HG2%) ASSI { 587} (( segid " " and resid 805 and name HA )) ( segid " " and resid 829 and name HD2%) 2.500 0.800 0.800 peak 587 spectrum 1 weight 0.10000E+01 volume 0.34737E-02 ppm1 3.292 ppm2 0.883 CV 1 ASSI { 589} (( segid " " and resid 805 and name HB )) ( segid " " and resid 805 and name HG2%) 2.400 0.700 0.700 peak 589 spectrum 1 weight 0.10000E+01 volume 0.34892E-02 ppm1 1.846 ppm2 0.721 CV 1 OR { 589} (( segid " " and resid 805 and name HB )) ( segid " " and resid 805 and name HD1%) ASSI { 591} ( segid " " and resid 805 and name HD1%) (( segid " " and resid 805 and name HG12)) 2.200 0.600 0.600 peak 591 spectrum 1 weight 0.10000E+01 volume 0.80363E-02 ppm1 0.714 ppm2 0.858 CV 1 ASSI { 592} ( segid " " and resid 805 and name HG2%) ( segid " " and resid 829 and name HD2%) 2.000 0.500 0.500 peak 592 spectrum 1 weight 0.10000E+01 volume 0.12574E-01 ppm1 0.728 ppm2 0.880 CV 1 ASSI { 594} (( segid " " and resid 806 and name HA )) (( segid " " and resid 806 and name H )) 2.800 1.000 1.000 peak 594 spectrum 1 weight 0.10000E+01 volume 0.19859E-02 ppm1 3.949 ppm2 8.462 CV 1 ASSI { 595} (( segid " " and resid 831 and name HA )) (( segid " " and resid 832 and name H )) 3.300 1.300 1.300 peak 595 spectrum 1 weight 0.10000E+01 volume 0.13177E-02 ppm1 3.943 ppm2 8.366 CV 1 ASSI { 596} (( segid " " and resid 806 and name HA )) (( segid " " and resid 807 and name H )) 3.200 1.300 1.300 peak 596 spectrum 1 weight 0.10000E+01 volume 0.11290E-02 ppm1 3.951 ppm2 8.282 CV 1 ASSI { 601} ( segid " " and resid 806 and name HD1%) (( segid " " and resid 898 and name H )) 3.900 1.900 1.900 peak 601 spectrum 1 weight 0.10000E+01 volume 0.94344E-03 ppm1 0.804 ppm2 8.685 CV 1 ASSI { 602} ( segid " " and resid 857 and name HD2%) (( segid " " and resid 841 and name H )) 4.100 2.100 1.900 peak 602 spectrum 1 weight 0.10000E+01 volume 0.91870E-03 ppm1 0.789 ppm2 8.501 CV 1 ASSI { 603} ( segid " " and resid 806 and name HD1%) (( segid " " and resid 806 and name H )) 2.600 0.800 0.800 peak 603 spectrum 1 weight 0.10000E+01 volume 0.34552E-02 ppm1 0.805 ppm2 8.459 CV 1 ASSI { 604} ( segid " " and resid 806 and name HD1%) (( segid " " and resid 807 and name H )) 4.100 2.100 1.900 peak 604 spectrum 1 weight 0.10000E+01 volume 0.86610E-03 ppm1 0.805 ppm2 8.294 CV 1 ASSI { 605} ( segid " " and resid 806 and name HD2%) (( segid " " and resid 806 and name H )) 3.100 1.200 1.200 peak 605 spectrum 1 weight 0.10000E+01 volume 0.29046E-02 ppm1 0.862 ppm2 8.462 CV 1 ASSI { 607} (( segid " " and resid 856 and name HA )) (( segid " " and resid 856 and name H )) 2.600 0.800 0.800 peak 607 spectrum 1 weight 0.10000E+01 volume 0.34737E-02 ppm1 3.954 ppm2 7.970 CV 1 ASSI { 608} (( segid " " and resid 831 and name HA )) (( segid " " and resid 835 and name H )) 3.800 1.800 1.800 peak 608 spectrum 1 weight 0.10000E+01 volume 0.72694E-03 ppm1 3.943 ppm2 8.119 CV 1 ASSI { 610} ( segid " " and resid 806 and name HD1%) (( segid " " and resid 902 and name H )) 3.000 1.100 1.100 peak 610 spectrum 1 weight 0.10000E+01 volume 0.15806E-02 ppm1 0.805 ppm2 7.966 CV 1 ASSI { 611} ( segid " " and resid 806 and name HD2%) (( segid " " and resid 902 and name H )) 4.100 2.100 1.900 peak 611 spectrum 1 weight 0.10000E+01 volume 0.55370E-03 ppm1 0.861 ppm2 7.959 CV 1 ASSI { 612} (( segid " " and resid 806 and name HA )) (( segid " " and resid 810 and name H )) 4.000 2.000 2.000 peak 612 spectrum 1 weight 0.10000E+01 volume 0.50420E-03 ppm1 3.950 ppm2 7.441 CV 1 ASSI { 613} (( segid " " and resid 856 and name HA )) (( segid " " and resid 859 and name H )) 3.200 1.300 1.300 peak 613 spectrum 1 weight 0.10000E+01 volume 0.10301E-02 ppm1 3.954 ppm2 7.782 CV 1 ASSI { 614} (( segid " " and resid 831 and name HA )) (( segid " " and resid 831 and name H )) 2.600 0.900 0.900 peak 614 spectrum 1 weight 0.10000E+01 volume 0.37831E-02 ppm1 3.944 ppm2 7.690 CV 1 ASSI { 615} (( segid " " and resid 831 and name HA )) (( segid " " and resid 831 and name HE21)) 4.000 2.000 2.000 peak 615 spectrum 1 weight 0.10000E+01 volume 0.66817E-03 ppm1 3.942 ppm2 7.584 CV 1 ASSI { 616} ( segid " " and resid 806 and name HD1%) (( segid " " and resid 902 and name HD21)) 3.700 1.700 1.700 peak 616 spectrum 1 weight 0.10000E+01 volume 0.82590E-03 ppm1 0.805 ppm2 7.419 CV 1 ASSI { 617} ( segid " " and resid 806 and name HD2%) (( segid " " and resid 902 and name HD21)) 3.600 1.600 1.600 peak 617 spectrum 1 weight 0.10000E+01 volume 0.58154E-03 ppm1 0.861 ppm2 7.415 CV 1 ASSI { 619} ( segid " " and resid 806 and name HD2%) (( segid " " and resid 902 and name HD22)) 3.800 1.800 1.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.84136E-03 ppm1 0.862 ppm2 6.717 CV 1 ASSI { 620} (( segid " " and resid 806 and name HA )) (( segid " " and resid 809 and name HB )) 2.700 0.900 0.900 peak 620 spectrum 1 weight 0.10000E+01 volume 0.20601E-02 ppm1 3.949 ppm2 4.223 CV 1 ASSI { 621} (( segid " " and resid 806 and name HB3 )) (( segid " " and resid 803 and name HA )) 4.400 2.400 1.600 peak 621 spectrum 1 weight 0.10000E+01 volume 0.64032E-03 ppm1 1.477 ppm2 4.377 CV 1 ASSI { 624} ( segid " " and resid 806 and name HD1%) (( segid " " and resid 809 and name HB )) 3.600 1.600 1.600 peak 624 spectrum 1 weight 0.10000E+01 volume 0.13517E-02 ppm1 0.805 ppm2 4.225 CV 1 ASSI { 625} ( segid " " and resid 806 and name HD2%) (( segid " " and resid 902 and name HA )) 3.600 1.700 1.700 peak 625 spectrum 1 weight 0.10000E+01 volume 0.49183E-03 ppm1 0.862 ppm2 4.444 CV 1 ASSI { 627} ( segid " " and resid 806 and name HD2%) (( segid " " and resid 799 and name HA )) 4.300 2.300 1.700 peak 627 spectrum 1 weight 0.10000E+01 volume 0.43615E-03 ppm1 0.862 ppm2 4.233 CV 1 ASSI { 628} (( segid " " and resid 806 and name HB3 )) (( segid " " and resid 806 and name HA )) 3.000 1.100 1.100 peak 628 spectrum 1 weight 0.10000E+01 volume 0.13394E-02 ppm1 1.479 ppm2 3.951 CV 1 ASSI { 629} (( segid " " and resid 806 and name HB2 )) (( segid " " and resid 806 and name HA )) 3.400 1.400 1.400 peak 629 spectrum 1 weight 0.10000E+01 volume 0.93110E-03 ppm1 1.950 ppm2 3.948 CV 1 ASSI { 630} ( segid " " and resid 806 and name HD1%) (( segid " " and resid 806 and name HA )) 2.100 0.500 0.500 peak 630 spectrum 1 weight 0.10000E+01 volume 0.10594E-01 ppm1 0.804 ppm2 3.950 CV 1 ASSI { 631} ( segid " " and resid 806 and name HD2%) (( segid " " and resid 802 and name HB )) 2.800 1.000 1.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.20292E-02 ppm1 0.862 ppm2 4.131 CV 1 ASSI { 632} ( segid " " and resid 806 and name HD2%) (( segid " " and resid 806 and name HA )) 3.600 1.600 1.600 peak 632 spectrum 1 weight 0.10000E+01 volume 0.19271E-02 ppm1 0.862 ppm2 3.950 CV 1 ASSI { 633} ( segid " " and resid 806 and name HD1%) (( segid " " and resid 898 and name HA )) 2.400 0.700 0.700 peak 633 spectrum 1 weight 0.10000E+01 volume 0.52741E-02 ppm1 0.804 ppm2 3.776 CV 1 ASSI { 634} ( segid " " and resid 806 and name HD2%) (( segid " " and resid 898 and name HA )) 4.100 2.100 1.900 peak 634 spectrum 1 weight 0.10000E+01 volume 0.84753E-03 ppm1 0.862 ppm2 3.771 CV 1 ASSI { 635} (( segid " " and resid 831 and name HA )) (( segid " " and resid 831 and name HB2 )) 2.400 0.700 0.700 peak 635 spectrum 1 weight 0.10000E+01 volume 0.69721E-02 ppm1 3.944 ppm2 2.135 CV 1 OR { 635} (( segid " " and resid 831 and name HA )) (( segid " " and resid 831 and name HB3 )) ASSI { 637} (( segid " " and resid 856 and name HA )) (( segid " " and resid 855 and name HB2 )) 2.900 2.900 3.100 peak 637 spectrum 1 weight 0.10000E+01 volume 0.27716E-02 ppm1 3.953 ppm2 1.970 CV 1 ASSI { 638} (( segid " " and resid 888 and name HA )) (( segid " " and resid 891 and name HB2 )) 2.900 1.000 1.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.17786E-02 ppm1 3.968 ppm2 1.915 CV 1 ASSI { 639} (( segid " " and resid 806 and name HA )) (( segid " " and resid 806 and name HG )) 3.100 1.200 1.200 peak 639 spectrum 1 weight 0.10000E+01 volume 0.15188E-02 ppm1 3.947 ppm2 1.858 CV 1 ASSI { 640} (( segid " " and resid 856 and name HA )) (( segid " " and resid 856 and name HG )) 2.900 1.100 1.100 peak 640 spectrum 1 weight 0.10000E+01 volume 0.21869E-02 ppm1 3.955 ppm2 1.791 CV 1 ASSI { 641} (( segid " " and resid 806 and name HB3 )) (( segid " " and resid 806 and name HB2 )) 2.100 0.500 0.500 peak 641 spectrum 1 weight 0.10000E+01 volume 0.43832E-02 ppm1 1.477 ppm2 1.951 CV 1 ASSI { 642} (( segid " " and resid 806 and name HB3 )) (( segid " " and resid 806 and name HG )) 2.900 1.100 1.100 peak 642 spectrum 1 weight 0.10000E+01 volume 0.11600E-02 ppm1 1.477 ppm2 1.859 CV 1 ASSI { 643} (( segid " " and resid 806 and name HB2 )) (( segid " " and resid 806 and name HG )) 3.300 1.400 1.400 peak 643 spectrum 1 weight 0.10000E+01 volume 0.11909E-02 ppm1 1.947 ppm2 1.858 CV 1 ASSI { 644} ( segid " " and resid 806 and name HD1%) (( segid " " and resid 806 and name HB2 )) 2.500 0.800 0.800 peak 644 spectrum 1 weight 0.10000E+01 volume 0.51287E-02 ppm1 0.804 ppm2 1.950 CV 1 ASSI { 645} ( segid " " and resid 806 and name HD1%) (( segid " " and resid 806 and name HG )) 2.100 0.500 0.500 peak 645 spectrum 1 weight 0.10000E+01 volume 0.10131E-01 ppm1 0.804 ppm2 1.860 CV 1 ASSI { 646} ( segid " " and resid 806 and name HD2%) (( segid " " and resid 806 and name HB2 )) 2.300 0.700 0.700 peak 646 spectrum 1 weight 0.10000E+01 volume 0.66195E-02 ppm1 0.862 ppm2 1.951 CV 1 ASSI { 647} ( segid " " and resid 806 and name HD2%) (( segid " " and resid 806 and name HG )) 2.200 0.600 0.600 peak 647 spectrum 1 weight 0.10000E+01 volume 0.84353E-02 ppm1 0.862 ppm2 1.859 CV 1 ASSI { 648} ( segid " " and resid 806 and name HD1%) (( segid " " and resid 898 and name HG3 )) 2.700 0.900 0.900 peak 648 spectrum 1 weight 0.10000E+01 volume 0.25365E-02 ppm1 0.805 ppm2 1.734 CV 1 ASSI { 649} (( segid " " and resid 856 and name HA )) ( segid " " and resid 859 and name HB% ) 2.500 0.800 0.800 peak 649 spectrum 1 weight 0.10000E+01 volume 0.48998E-02 ppm1 3.954 ppm2 1.459 CV 1 ASSI { 650} (( segid " " and resid 856 and name HA )) (( segid " " and resid 856 and name HB3 )) 2.500 0.800 0.800 peak 650 spectrum 1 weight 0.10000E+01 volume 0.32758E-02 ppm1 3.955 ppm2 1.387 CV 1 ASSI { 653} ( segid " " and resid 806 and name HD2%) (( segid " " and resid 806 and name HB3 )) 2.500 0.800 0.800 peak 653 spectrum 1 weight 0.10000E+01 volume 0.69721E-02 ppm1 0.862 ppm2 1.476 CV 1 ASSI { 656} ( segid " " and resid 806 and name HD1%) ( segid " " and resid 809 and name HG2%) 3.300 1.400 1.400 peak 656 spectrum 1 weight 0.10000E+01 volume 0.27469E-02 ppm1 0.806 ppm2 1.165 CV 1 ASSI { 657} ( segid " " and resid 806 and name HD1%) ( segid " " and resid 901 and name HG2%) 2.400 0.700 0.700 peak 657 spectrum 1 weight 0.10000E+01 volume 0.55370E-02 ppm1 0.805 ppm2 1.086 CV 1 ASSI { 658} (( segid " " and resid 806 and name HA )) ( segid " " and resid 809 and name HG2%) 3.600 1.600 1.600 peak 658 spectrum 1 weight 0.10000E+01 volume 0.11476E-02 ppm1 3.951 ppm2 1.166 CV 1 ASSI { 659} (( segid " " and resid 806 and name HA )) ( segid " " and resid 901 and name HG2%) 4.500 2.600 1.500 peak 659 spectrum 1 weight 0.10000E+01 volume 0.46709E-03 ppm1 3.948 ppm2 1.091 CV 1 ASSI { 664} (( segid " " and resid 806 and name HB3 )) ( segid " " and resid 806 and name HD1%) 3.400 1.400 1.400 peak 664 spectrum 1 weight 0.10000E+01 volume 0.16518E-02 ppm1 1.472 ppm2 0.803 CV 1 ASSI { 667} (( segid " " and resid 807 and name HA )) (( segid " " and resid 807 and name H )) 2.700 0.900 0.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.31985E-02 ppm1 3.899 ppm2 8.293 CV 1 ASSI { 668} (( segid " " and resid 807 and name HB )) (( segid " " and resid 807 and name H )) 2.600 0.800 0.800 peak 668 spectrum 1 weight 0.10000E+01 volume 0.32974E-02 ppm1 4.299 ppm2 8.292 CV 1 ASSI { 669} (( segid " " and resid 807 and name HA )) (( segid " " and resid 808 and name H )) 3.300 1.400 1.400 peak 669 spectrum 1 weight 0.10000E+01 volume 0.11476E-02 ppm1 3.899 ppm2 8.544 CV 1 ASSI { 670} (( segid " " and resid 807 and name HB )) (( segid " " and resid 808 and name H )) 2.600 0.900 0.900 peak 670 spectrum 1 weight 0.10000E+01 volume 0.22395E-02 ppm1 4.299 ppm2 8.543 CV 1 ASSI { 671} (( segid " " and resid 807 and name HA )) (( segid " " and resid 811 and name H )) 3.800 1.800 1.800 peak 671 spectrum 1 weight 0.10000E+01 volume 0.51967E-03 ppm1 3.899 ppm2 8.156 CV 1 ASSI { 672} ( segid " " and resid 807 and name HG2%) (( segid " " and resid 807 and name H )) 3.300 1.300 1.300 peak 672 spectrum 1 weight 0.10000E+01 volume 0.38017E-02 ppm1 1.170 ppm2 8.292 CV 1 ASSI { 673} ( segid " " and resid 807 and name HG2%) (( segid " " and resid 811 and name H )) 3.400 1.500 1.500 peak 673 spectrum 1 weight 0.10000E+01 volume 0.11260E-02 ppm1 1.170 ppm2 8.155 CV 1 ASSI { 675} ( segid " " and resid 809 and name HG2%) (( segid " " and resid 809 and name H )) 3.200 1.300 1.300 peak 675 spectrum 1 weight 0.10000E+01 volume 0.40336E-02 ppm1 1.168 ppm2 7.972 CV 1 ASSI { 676} ( segid " " and resid 809 and name HG2%) (( segid " " and resid 898 and name H )) 3.900 1.900 1.900 peak 676 spectrum 1 weight 0.10000E+01 volume 0.90941E-03 ppm1 1.168 ppm2 8.686 CV 1 ASSI { 677} ( segid " " and resid 809 and name HG2%) (( segid " " and resid 894 and name H )) 4.400 2.500 1.600 peak 677 spectrum 1 weight 0.10000E+01 volume 0.60935E-03 ppm1 1.168 ppm2 8.618 CV 1 ASSI { 678} ( segid " " and resid 807 and name HG2%) (( segid " " and resid 808 and name H )) 3.000 1.100 1.100 peak 678 spectrum 1 weight 0.10000E+01 volume 0.32387E-02 ppm1 1.169 ppm2 8.543 CV 1 ASSI { 679} ( segid " " and resid 809 and name HG2%) (( segid " " and resid 810 and name H )) 2.800 1.000 1.000 peak 679 spectrum 1 weight 0.10000E+01 volume 0.28211E-02 ppm1 1.168 ppm2 7.445 CV 1 ASSI { 680} ( segid " " and resid 809 and name HG2%) ( segid " " and resid 813 and name HD% ) 3.100 1.200 1.200 peak 680 spectrum 1 weight 0.10000E+01 volume 0.16765E-02 ppm1 1.168 ppm2 7.329 CV 1 ASSI { 681} ( segid " " and resid 809 and name HG2%) (( segid " " and resid 813 and name H )) 3.900 1.900 1.900 peak 681 spectrum 1 weight 0.10000E+01 volume 0.48874E-03 ppm1 1.168 ppm2 7.269 CV 1 ASSI { 683} ( segid " " and resid 809 and name HG2%) (( segid " " and resid 813 and name HZ )) 4.200 2.200 1.800 peak 683 spectrum 1 weight 0.10000E+01 volume 0.97129E-03 ppm1 1.167 ppm2 7.023 CV 1 ASSI { 684} (( segid " " and resid 807 and name HA )) (( segid " " and resid 810 and name H )) 3.100 1.200 1.200 peak 684 spectrum 1 weight 0.10000E+01 volume 0.14693E-02 ppm1 3.899 ppm2 7.445 CV 1 ASSI { 685} ( segid " " and resid 807 and name HG2%) (( segid " " and resid 811 and name HD22)) 2.500 0.800 0.800 peak 685 spectrum 1 weight 0.10000E+01 volume 0.43430E-02 ppm1 1.170 ppm2 6.784 CV 1 ASSI { 686} ( segid " " and resid 807 and name HG2%) (( segid " " and resid 807 and name HB )) 2.100 0.600 0.600 peak 686 spectrum 1 weight 0.10000E+01 volume 0.12723E-01 ppm1 1.170 ppm2 4.302 CV 1 ASSI { 687} ( segid " " and resid 809 and name HG2%) (( segid " " and resid 809 and name HB )) 2.200 0.600 0.600 peak 687 spectrum 1 weight 0.10000E+01 volume 0.81139E-02 ppm1 1.168 ppm2 4.224 CV 1 ASSI { 688} ( segid " " and resid 807 and name HG2%) (( segid " " and resid 807 and name HA )) 2.300 0.600 0.600 peak 688 spectrum 1 weight 0.10000E+01 volume 0.10350E-01 ppm1 1.170 ppm2 3.898 CV 1 ASSI { 689} (( segid " " and resid 807 and name HA )) (( segid " " and resid 807 and name HB )) 2.900 1.100 1.100 peak 689 spectrum 1 weight 0.10000E+01 volume 0.23107E-02 ppm1 3.898 ppm2 4.301 CV 1 ASSI { 691} ( segid " " and resid 809 and name HG2%) (( segid " " and resid 898 and name HD2 )) 3.300 1.400 1.400 peak 691 spectrum 1 weight 0.10000E+01 volume 0.17167E-02 ppm1 1.167 ppm2 3.122 CV 1 OR { 691} ( segid " " and resid 809 and name HG2%) (( segid " " and resid 898 and name HD3 )) ASSI { 692} ( segid " " and resid 807 and name HG2%) (( segid " " and resid 808 and name HA )) 3.100 1.200 1.200 peak 692 spectrum 1 weight 0.10000E+01 volume 0.19054E-02 ppm1 1.170 ppm2 3.642 CV 1 ASSI { 693} ( segid " " and resid 809 and name HG2%) (( segid " " and resid 809 and name HA )) 2.300 0.700 0.700 peak 693 spectrum 1 weight 0.10000E+01 volume 0.63197E-02 ppm1 1.168 ppm2 3.569 CV 1 ASSI { 694} (( segid " " and resid 807 and name HA )) (( segid " " and resid 810 and name HG2 )) 3.400 1.400 1.400 peak 694 spectrum 1 weight 0.10000E+01 volume 0.78259E-03 ppm1 3.897 ppm2 2.357 CV 1 ASSI { 695} (( segid " " and resid 807 and name HA )) (( segid " " and resid 810 and name HB3 )) 3.400 1.500 1.500 peak 695 spectrum 1 weight 0.10000E+01 volume 0.16332E-02 ppm1 3.899 ppm2 2.169 CV 1 ASSI { 696} (( segid " " and resid 807 and name HA )) (( segid " " and resid 810 and name HB2 )) 3.300 3.300 2.700 peak 696 spectrum 1 weight 0.10000E+01 volume 0.12528E-02 ppm1 3.898 ppm2 2.122 CV 1 ASSI { 697} ( segid " " and resid 809 and name HG2%) (( segid " " and resid 810 and name HB3 )) 3.600 1.600 1.600 peak 697 spectrum 1 weight 0.10000E+01 volume 0.11198E-02 ppm1 1.169 ppm2 2.160 CV 1 ASSI { 698} ( segid " " and resid 809 and name HG2%) (( segid " " and resid 870 and name HG3 )) 3.600 1.600 1.600 peak 698 spectrum 1 weight 0.10000E+01 volume 0.14631E-02 ppm1 1.169 ppm2 2.119 CV 1 ASSI { 699} ( segid " " and resid 809 and name HG2%) ( segid " " and resid 870 and name HE% ) 2.200 0.600 0.600 peak 699 spectrum 1 weight 0.10000E+01 volume 0.10344E-01 ppm1 1.168 ppm2 1.950 CV 1 ASSI { 700} ( segid " " and resid 809 and name HG2%) (( segid " " and resid 898 and name HG3 )) 3.500 1.500 1.500 peak 700 spectrum 1 weight 0.10000E+01 volume 0.13765E-02 ppm1 1.167 ppm2 1.733 CV 1 ASSI { 701} ( segid " " and resid 809 and name HG2%) ( segid " " and resid 894 and name HB% ) 2.300 0.600 0.600 peak 701 spectrum 1 weight 0.10000E+01 volume 0.72753E-02 ppm1 1.167 ppm2 1.537 CV 1 ASSI { 709} (( segid " " and resid 808 and name HA )) (( segid " " and resid 808 and name H )) 2.700 0.900 0.900 peak 709 spectrum 1 weight 0.10000E+01 volume 0.24158E-02 ppm1 3.641 ppm2 8.543 CV 1 ASSI { 710} (( segid " " and resid 808 and name HA )) (( segid " " and resid 811 and name H )) 3.000 1.100 1.100 peak 710 spectrum 1 weight 0.10000E+01 volume 0.17632E-02 ppm1 3.641 ppm2 8.155 CV 1 ASSI { 711} (( segid " " and resid 808 and name HA )) (( segid " " and resid 812 and name H )) 4.200 2.200 1.800 peak 711 spectrum 1 weight 0.10000E+01 volume 0.45471E-03 ppm1 3.640 ppm2 8.063 CV 1 ASSI { 712} (( segid " " and resid 808 and name HA )) (( segid " " and resid 809 and name H )) 3.400 1.500 1.500 peak 712 spectrum 1 weight 0.10000E+01 volume 0.72694E-03 ppm1 3.639 ppm2 7.974 CV 1 ASSI { 715} ( segid " " and resid 808 and name HG1%) (( segid " " and resid 807 and name H )) 4.100 2.100 1.900 peak 715 spectrum 1 weight 0.10000E+01 volume 0.12404E-02 ppm1 1.001 ppm2 8.292 CV 1 ASSI { 716} ( segid " " and resid 871 and name HG2%) (( segid " " and resid 830 and name H )) 3.000 1.100 1.100 peak 716 spectrum 1 weight 0.10000E+01 volume 0.22024E-02 ppm1 0.997 ppm2 8.174 CV 1 ASSI { 717} ( segid " " and resid 808 and name HG2%) (( segid " " and resid 812 and name H )) 4.200 2.200 1.800 peak 717 spectrum 1 weight 0.10000E+01 volume 0.73000E-03 ppm1 1.007 ppm2 8.064 CV 1 ASSI { 718} ( segid " " and resid 808 and name HG2%) (( segid " " and resid 809 and name H )) 3.100 1.200 1.200 peak 718 spectrum 1 weight 0.10000E+01 volume 0.31552E-02 ppm1 1.002 ppm2 7.971 CV 1 OR { 718} ( segid " " and resid 808 and name HG1%) (( segid " " and resid 809 and name H )) ASSI { 719} (( segid " " and resid 829 and name HG )) (( segid " " and resid 829 and name H )) 2.400 0.700 0.700 peak 719 spectrum 1 weight 0.10000E+01 volume 0.39254E-02 ppm1 1.006 ppm2 8.602 CV 1 ASSI { 720} ( segid " " and resid 808 and name HG1%) (( segid " " and resid 808 and name H )) 2.700 0.900 0.900 peak 720 spectrum 1 weight 0.10000E+01 volume 0.12156E-01 ppm1 1.002 ppm2 8.543 CV 1 ASSI { 721} ( segid " " and resid 871 and name HG2%) (( segid " " and resid 871 and name H )) 2.200 0.600 0.600 peak 721 spectrum 1 weight 0.10000E+01 volume 0.99633E-02 ppm1 0.996 ppm2 8.858 CV 1 ASSI { 722} ( segid " " and resid 837 and name HG2%) (( segid " " and resid 837 and name H )) 2.100 0.600 0.600 peak 722 spectrum 1 weight 0.10000E+01 volume 0.85717E-02 ppm1 0.995 ppm2 9.046 CV 1 ASSI { 723} ( segid " " and resid 837 and name HG2%) (( segid " " and resid 863 and name H )) 3.900 1.900 1.900 peak 723 spectrum 1 weight 0.10000E+01 volume 0.10455E-02 ppm1 0.995 ppm2 7.885 CV 1 ASSI { 724} ( segid " " and resid 871 and name HG2%) (( segid " " and resid 872 and name H )) 3.600 1.600 1.600 peak 724 spectrum 1 weight 0.10000E+01 volume 0.23262E-02 ppm1 0.997 ppm2 7.786 CV 1 ASSI { 725} ( segid " " and resid 871 and name HG2%) (( segid " " and resid 870 and name H )) 3.900 1.900 1.900 peak 725 spectrum 1 weight 0.10000E+01 volume 0.10795E-02 ppm1 0.997 ppm2 7.719 CV 1 ASSI { 726} ( segid " " and resid 837 and name HG2%) (( segid " " and resid 836 and name H )) 3.700 1.700 1.700 peak 726 spectrum 1 weight 0.10000E+01 volume 0.14445E-02 ppm1 0.996 ppm2 7.594 CV 1 ASSI { 727} ( segid " " and resid 808 and name HG2%) (( segid " " and resid 811 and name HD21)) 3.100 1.200 1.200 peak 727 spectrum 1 weight 0.10000E+01 volume 0.23323E-02 ppm1 1.002 ppm2 7.104 CV 1 OR { 727} ( segid " " and resid 808 and name HG1%) (( segid " " and resid 811 and name HD21)) ASSI { 728} (( segid " " and resid 808 and name HA )) (( segid " " and resid 811 and name HD21)) 2.800 1.000 1.000 peak 728 spectrum 1 weight 0.10000E+01 volume 0.17539E-02 ppm1 3.639 ppm2 7.103 CV 1 ASSI { 729} (( segid " " and resid 808 and name HA )) (( segid " " and resid 811 and name HD22)) 3.400 1.500 1.500 peak 729 spectrum 1 weight 0.10000E+01 volume 0.12002E-02 ppm1 3.639 ppm2 6.783 CV 1 ASSI { 730} ( segid " " and resid 808 and name HG1%) (( segid " " and resid 811 and name HD22)) 3.800 1.800 1.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.17725E-02 ppm1 1.002 ppm2 6.785 CV 1 ASSI { 731} ( segid " " and resid 808 and name HG1%) (( segid " " and resid 807 and name HB )) 3.800 1.800 1.800 peak 731 spectrum 1 weight 0.10000E+01 volume 0.24499E-02 ppm1 1.002 ppm2 4.305 CV 1 ASSI { 732} ( segid " " and resid 871 and name HG2%) (( segid " " and resid 868 and name HA )) 2.900 1.000 1.000 peak 732 spectrum 1 weight 0.10000E+01 volume 0.38450E-02 ppm1 0.997 ppm2 4.004 CV 1 ASSI { 733} ( segid " " and resid 808 and name HG2%) (( segid " " and resid 825 and name HA )) 3.100 1.200 1.200 peak 733 spectrum 1 weight 0.10000E+01 volume 0.40986E-02 ppm1 1.003 ppm2 3.906 CV 1 ASSI { 737} ( segid " " and resid 808 and name HG1%) (( segid " " and resid 808 and name HA )) 2.100 0.600 0.600 peak 737 spectrum 1 weight 0.10000E+01 volume 0.11878E-01 ppm1 1.002 ppm2 3.641 CV 1 OR { 737} ( segid " " and resid 808 and name HG2%) (( segid " " and resid 808 and name HA )) ASSI { 738} ( segid " " and resid 871 and name HG2%) (( segid " " and resid 871 and name HA )) 2.200 0.600 0.600 peak 738 spectrum 1 weight 0.10000E+01 volume 0.92334E-02 ppm1 0.996 ppm2 3.372 CV 1 ASSI { 740} (( segid " " and resid 808 and name HA )) (( segid " " and resid 811 and name HB2 )) 2.700 0.900 0.900 peak 740 spectrum 1 weight 0.10000E+01 volume 0.24221E-02 ppm1 3.641 ppm2 3.105 CV 1 ASSI { 741} ( segid " " and resid 808 and name HG2%) (( segid " " and resid 811 and name HB2 )) 3.600 1.600 1.600 peak 741 spectrum 1 weight 0.10000E+01 volume 0.16147E-02 ppm1 1.004 ppm2 3.107 CV 1 ASSI { 742} (( segid " " and resid 808 and name HA )) (( segid " " and resid 811 and name HB3 )) 3.900 1.900 1.900 peak 742 spectrum 1 weight 0.10000E+01 volume 0.15034E-02 ppm1 3.639 ppm2 2.675 CV 1 ASSI { 744} ( segid " " and resid 808 and name HG2%) (( segid " " and resid 825 and name HG2 )) 4.400 2.400 1.600 peak 744 spectrum 1 weight 0.10000E+01 volume 0.60318E-03 ppm1 1.007 ppm2 2.556 CV 1 ASSI { 745} (( segid " " and resid 808 and name HA )) (( segid " " and resid 808 and name HB )) 3.000 1.100 1.100 peak 745 spectrum 1 weight 0.10000E+01 volume 0.16271E-02 ppm1 3.640 ppm2 1.968 CV 1 ASSI { 746} ( segid " " and resid 871 and name HG2%) (( segid " " and resid 871 and name HB )) 2.100 0.500 0.500 peak 746 spectrum 1 weight 0.10000E+01 volume 0.11266E-01 ppm1 0.997 ppm2 2.113 CV 1 ASSI { 748} ( segid " " and resid 808 and name HG2%) (( segid " " and resid 825 and name HB3 )) 3.400 1.400 1.400 peak 748 spectrum 1 weight 0.10000E+01 volume 0.23293E-02 ppm1 1.006 ppm2 1.834 CV 1 ASSI { 750} ( segid " " and resid 837 and name HG2%) (( segid " " and resid 837 and name HB )) 2.200 0.600 0.600 peak 750 spectrum 1 weight 0.10000E+01 volume 0.83149E-02 ppm1 0.995 ppm2 2.189 CV 1 ASSI { 753} ( segid " " and resid 808 and name HG1%) ( segid " " and resid 807 and name HG2%) 3.700 1.700 1.700 peak 753 spectrum 1 weight 0.10000E+01 volume 0.16054E-02 ppm1 1.000 ppm2 1.171 CV 1 ASSI { 754} ( segid " " and resid 871 and name HG2%) ( segid " " and resid 867 and name HG2%) 2.100 0.500 0.500 peak 754 spectrum 1 weight 0.10000E+01 volume 0.13554E-01 ppm1 0.998 ppm2 1.099 CV 1 ASSI { 755} (( segid " " and resid 808 and name HB )) ( segid " " and resid 808 and name HG1%) 2.300 0.700 0.700 peak 755 spectrum 1 weight 0.10000E+01 volume 0.61464E-02 ppm1 1.966 ppm2 1.003 CV 1 OR { 755} (( segid " " and resid 808 and name HB )) ( segid " " and resid 808 and name HG2%) ASSI { 756} ( segid " " and resid 871 and name HG2%) ( segid " " and resid 868 and name HB% ) 4.200 2.200 1.800 peak 756 spectrum 1 weight 0.10000E+01 volume 0.74240E-03 ppm1 0.996 ppm2 1.492 CV 1 ASSI { 757} ( segid " " and resid 871 and name HG2%) ( segid " " and resid 830 and name HB% ) 2.200 0.600 0.600 peak 757 spectrum 1 weight 0.10000E+01 volume 0.10842E-01 ppm1 0.997 ppm2 1.399 CV 1 ASSI { 759} ( segid " " and resid 871 and name HG2%) ( segid " " and resid 829 and name HD1%) 2.400 2.400 3.600 peak 759 spectrum 1 weight 0.10000E+01 volume 0.29200E-02 ppm1 0.997 ppm2 0.752 CV 1 ASSI { 764} (( segid " " and resid 809 and name HA )) (( segid " " and resid 809 and name H )) 2.900 1.000 1.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.16982E-02 ppm1 3.570 ppm2 7.973 CV 1 ASSI { 768} (( segid " " and resid 809 and name HA )) (( segid " " and resid 809 and name HB )) 3.200 1.200 1.200 peak 768 spectrum 1 weight 0.10000E+01 volume 0.11260E-02 ppm1 3.571 ppm2 4.225 CV 1 ASSI { 779} (( segid " " and resid 837 and name HA )) (( segid " " and resid 837 and name H )) 2.800 1.000 1.000 peak 779 spectrum 1 weight 0.10000E+01 volume 0.22364E-02 ppm1 3.272 ppm2 9.046 CV 1 ASSI { 780} (( segid " " and resid 837 and name HA )) (( segid " " and resid 840 and name H )) 3.200 1.300 1.300 peak 780 spectrum 1 weight 0.10000E+01 volume 0.12095E-02 ppm1 3.274 ppm2 8.562 CV 1 ASSI { 781} (( segid " " and resid 837 and name HA )) (( segid " " and resid 841 and name H )) 3.500 1.500 1.500 peak 781 spectrum 1 weight 0.10000E+01 volume 0.73000E-03 ppm1 3.271 ppm2 8.500 CV 1 ASSI { 782} (( segid " " and resid 837 and name HA )) (( segid " " and resid 838 and name H )) 3.400 1.400 1.400 peak 782 spectrum 1 weight 0.10000E+01 volume 0.94655E-03 ppm1 3.273 ppm2 8.111 CV 1 ASSI { 785} ( segid " " and resid 837 and name HG1%) (( segid " " and resid 837 and name H )) 3.400 1.400 1.400 peak 785 spectrum 1 weight 0.10000E+01 volume 0.36593E-02 ppm1 0.849 ppm2 9.046 CV 1 ASSI { 786} ( segid " " and resid 871 and name HG1%) (( segid " " and resid 871 and name H )) 3.300 1.300 1.300 peak 786 spectrum 1 weight 0.10000E+01 volume 0.41388E-02 ppm1 0.847 ppm2 8.859 CV 1 ASSI { 788} ( segid " " and resid 837 and name HG1%) (( segid " " and resid 838 and name H )) 2.900 1.100 1.100 peak 788 spectrum 1 weight 0.10000E+01 volume 0.36377E-02 ppm1 0.849 ppm2 8.112 CV 1 ASSI { 789} ( segid " " and resid 871 and name HG1%) (( segid " " and resid 875 and name H )) 3.400 1.400 1.400 peak 789 spectrum 1 weight 0.10000E+01 volume 0.14724E-02 ppm1 0.846 ppm2 7.968 CV 1 ASSI { 790} ( segid " " and resid 823 and name HG1%) (( segid " " and resid 824 and name H )) 3.000 1.100 1.100 peak 790 spectrum 1 weight 0.10000E+01 volume 0.35573E-02 ppm1 0.847 ppm2 7.864 CV 1 ASSI { 791} ( segid " " and resid 871 and name HG1%) (( segid " " and resid 872 and name H )) 2.700 0.900 0.900 peak 791 spectrum 1 weight 0.10000E+01 volume 0.46492E-02 ppm1 0.847 ppm2 7.778 CV 1 ASSI { 792} ( segid " " and resid 823 and name HG1%) (( segid " " and resid 823 and name H )) 3.300 1.300 1.300 peak 792 spectrum 1 weight 0.10000E+01 volume 0.45935E-02 ppm1 0.848 ppm2 7.760 CV 1 ASSI { 794} ( segid " " and resid 871 and name HG1%) (( segid " " and resid 872 and name HA )) 2.700 0.900 0.900 peak 794 spectrum 1 weight 0.10000E+01 volume 0.31335E-02 ppm1 0.847 ppm2 3.955 CV 1 ASSI { 796} ( segid " " and resid 823 and name HG1%) (( segid " " and resid 875 and name HA )) 3.600 1.600 1.600 peak 796 spectrum 1 weight 0.10000E+01 volume 0.15497E-02 ppm1 0.847 ppm2 3.756 CV 1 ASSI { 797} ( segid " " and resid 823 and name HG1%) (( segid " " and resid 823 and name HA )) 2.300 0.700 0.700 peak 797 spectrum 1 weight 0.10000E+01 volume 0.72318E-02 ppm1 0.847 ppm2 3.468 CV 1 ASSI { 798} ( segid " " and resid 871 and name HG1%) (( segid " " and resid 871 and name HA )) 2.400 0.700 0.700 peak 798 spectrum 1 weight 0.10000E+01 volume 0.71672E-02 ppm1 0.847 ppm2 3.372 CV 1 ASSI { 799} ( segid " " and resid 837 and name HG1%) (( segid " " and resid 837 and name HA )) 2.400 0.700 0.700 peak 799 spectrum 1 weight 0.10000E+01 volume 0.63538E-02 ppm1 0.849 ppm2 3.273 CV 1 ASSI { 800} ( segid " " and resid 837 and name HG1%) (( segid " " and resid 838 and name HA )) 2.900 1.100 1.100 peak 800 spectrum 1 weight 0.10000E+01 volume 0.23138E-02 ppm1 0.850 ppm2 4.355 CV 1 ASSI { 802} (( segid " " and resid 837 and name HB )) (( segid " " and resid 834 and name HA )) 3.000 1.100 1.100 peak 802 spectrum 1 weight 0.10000E+01 volume 0.14136E-02 ppm1 2.190 ppm2 4.007 CV 1 ASSI { 803} ( segid " " and resid 837 and name HG2%) (( segid " " and resid 837 and name HA )) 2.300 0.600 0.600 peak 803 spectrum 1 weight 0.10000E+01 volume 0.81633E-02 ppm1 0.995 ppm2 3.273 CV 1 ASSI { 804} ( segid " " and resid 837 and name HG2%) (( segid " " and resid 834 and name HA )) 2.800 0.900 0.900 peak 804 spectrum 1 weight 0.10000E+01 volume 0.27654E-02 ppm1 0.994 ppm2 4.005 CV 1 ASSI { 808} ( segid " " and resid 837 and name HG1%) (( segid " " and resid 841 and name HE3 )) 2.500 0.800 0.800 peak 808 spectrum 1 weight 0.10000E+01 volume 0.39687E-02 ppm1 0.849 ppm2 2.754 CV 1 ASSI { 809} ( segid " " and resid 871 and name HG1%) (( segid " " and resid 875 and name HE3 )) 2.800 2.800 3.200 peak 809 spectrum 1 weight 0.10000E+01 volume 0.44729E-02 ppm1 0.847 ppm2 2.731 CV 1 ASSI { 810} (( segid " " and resid 837 and name HA )) (( segid " " and resid 837 and name HB )) 3.000 1.200 1.200 peak 810 spectrum 1 weight 0.10000E+01 volume 0.17075E-02 ppm1 3.272 ppm2 2.191 CV 1 ASSI { 811} (( segid " " and resid 837 and name HA )) (( segid " " and resid 840 and name HB )) 2.700 0.900 0.900 peak 811 spectrum 1 weight 0.10000E+01 volume 0.26200E-02 ppm1 3.272 ppm2 1.608 CV 1 ASSI { 814} ( segid " " and resid 837 and name HG1%) (( segid " " and resid 837 and name HB )) 2.200 0.600 0.600 peak 814 spectrum 1 weight 0.10000E+01 volume 0.97964E-02 ppm1 0.849 ppm2 2.189 CV 1 ASSI { 815} ( segid " " and resid 871 and name HG1%) (( segid " " and resid 871 and name HB )) 2.100 0.600 0.600 peak 815 spectrum 1 weight 0.10000E+01 volume 0.11358E-01 ppm1 0.847 ppm2 2.113 CV 1 ASSI { 816} ( segid " " and resid 823 and name HG1%) (( segid " " and resid 823 and name HB )) 2.100 0.500 0.500 peak 816 spectrum 1 weight 0.10000E+01 volume 0.12992E-01 ppm1 0.847 ppm2 2.033 CV 1 ASSI { 817} ( segid " " and resid 823 and name HG1%) (( segid " " and resid 824 and name HB2 )) 3.300 3.300 2.700 peak 817 spectrum 1 weight 0.10000E+01 volume 0.20168E-02 ppm1 0.847 ppm2 1.886 CV 1 ASSI { 818} ( segid " " and resid 823 and name HG1%) (( segid " " and resid 827 and name HG3 )) 2.400 0.700 0.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.35665E-02 ppm1 0.848 ppm2 1.775 CV 1 ASSI { 820} ( segid " " and resid 837 and name HG1%) ( segid " " and resid 860 and name HB% ) 2.200 0.600 0.600 peak 820 spectrum 1 weight 0.10000E+01 volume 0.12429E-01 ppm1 0.849 ppm2 1.470 CV 1 ASSI { 821} ( segid " " and resid 871 and name HG1%) ( segid " " and resid 826 and name HB% ) 2.300 0.600 0.600 peak 821 spectrum 1 weight 0.10000E+01 volume 0.10740E-01 ppm1 0.847 ppm2 1.408 CV 1 ASSI { 822} ( segid " " and resid 871 and name HG1%) ( segid " " and resid 874 and name HB% ) 3.100 1.200 1.200 peak 822 spectrum 1 weight 0.10000E+01 volume 0.27159E-02 ppm1 0.847 ppm2 1.309 CV 1 ASSI { 823} ( segid " " and resid 823 and name HG1%) (( segid " " and resid 875 and name HG2 )) 2.600 0.900 0.900 peak 823 spectrum 1 weight 0.10000E+01 volume 0.20415E-02 ppm1 0.845 ppm2 1.253 CV 1 ASSI { 824} ( segid " " and resid 837 and name HG2%) (( segid " " and resid 863 and name HB2 )) 3.400 1.400 1.400 peak 824 spectrum 1 weight 0.10000E+01 volume 0.34954E-02 ppm1 0.995 ppm2 1.613 CV 1 ASSI { 825} (( segid " " and resid 829 and name HG )) (( segid " " and resid 829 and name HB3 )) 2.700 0.900 0.900 peak 825 spectrum 1 weight 0.10000E+01 volume 0.43832E-02 ppm1 1.006 ppm2 1.557 CV 1 ASSI { 826} ( segid " " and resid 837 and name HG2%) ( segid " " and resid 864 and name HB% ) 2.200 0.600 0.600 peak 826 spectrum 1 weight 0.10000E+01 volume 0.94967E-02 ppm1 0.995 ppm2 1.478 CV 1 ASSI { 827} ( segid " " and resid 837 and name HG2%) (( segid " " and resid 863 and name HG )) 2.600 0.900 0.900 peak 827 spectrum 1 weight 0.10000E+01 volume 0.30160E-02 ppm1 0.994 ppm2 1.376 CV 1 ASSI { 833} ( segid " " and resid 823 and name HG1%) ( segid " " and resid 823 and name HG2%) 2.000 0.500 0.500 peak 833 spectrum 1 weight 0.10000E+01 volume 0.20016E-01 ppm1 0.847 ppm2 0.942 CV 1 ASSI { 835} ( segid " " and resid 837 and name HG2%) ( segid " " and resid 837 and name HG1%) 2.100 0.600 0.600 peak 835 spectrum 1 weight 0.10000E+01 volume 0.14229E-01 ppm1 0.995 ppm2 0.849 CV 1 ASSI { 837} (( segid " " and resid 837 and name HA )) ( segid " " and resid 863 and name HD2%) 3.300 1.300 1.300 peak 837 spectrum 1 weight 0.10000E+01 volume 0.10208E-02 ppm1 3.271 ppm2 0.679 CV 1 ASSI { 838} (( segid " " and resid 837 and name HA )) ( segid " " and resid 840 and name HD1%) 2.800 1.000 1.000 peak 838 spectrum 1 weight 0.10000E+01 volume 0.23385E-02 ppm1 3.272 ppm2 0.316 CV 1 ASSI { 839} ( segid " " and resid 837 and name HG1%) ( segid " " and resid 840 and name HD1%) 4.200 2.200 1.800 peak 839 spectrum 1 weight 0.10000E+01 volume 0.64960E-03 ppm1 0.850 ppm2 0.316 CV 1 ASSI { 840} ( segid " " and resid 837 and name HG2%) ( segid " " and resid 840 and name HD1%) 3.300 1.400 1.400 peak 840 spectrum 1 weight 0.10000E+01 volume 0.16240E-02 ppm1 0.994 ppm2 0.315 CV 1 ASSI { 841} (( segid " " and resid 837 and name HB )) ( segid " " and resid 860 and name HB% ) 4.500 2.600 1.500 peak 841 spectrum 1 weight 0.10000E+01 volume 0.54132E-03 ppm1 2.189 ppm2 1.470 CV 1 ASSI { 842} (( segid " " and resid 838 and name HA )) (( segid " " and resid 841 and name H )) 3.100 1.200 1.200 peak 842 spectrum 1 weight 0.10000E+01 volume 0.14136E-02 ppm1 4.353 ppm2 8.500 CV 1 ASSI { 843} (( segid " " and resid 838 and name HA )) (( segid " " and resid 838 and name H )) 2.700 0.900 0.900 peak 843 spectrum 1 weight 0.10000E+01 volume 0.35851E-02 ppm1 4.354 ppm2 8.111 CV 1 ASSI { 844} (( segid " " and resid 838 and name HA )) (( segid " " and resid 839 and name H )) 3.300 1.400 1.400 peak 844 spectrum 1 weight 0.10000E+01 volume 0.11754E-02 ppm1 4.352 ppm2 7.799 CV 1 ASSI { 846} (( segid " " and resid 838 and name HA )) (( segid " " and resid 838 and name HD21)) 4.100 2.100 1.900 peak 846 spectrum 1 weight 0.10000E+01 volume 0.60012E-03 ppm1 4.352 ppm2 7.603 CV 1 ASSI { 847} (( segid " " and resid 838 and name HB3 )) (( segid " " and resid 838 and name H )) 3.200 1.300 1.300 peak 847 spectrum 1 weight 0.10000E+01 volume 0.23293E-02 ppm1 2.706 ppm2 8.111 CV 1 ASSI { 849} (( segid " " and resid 838 and name HB3 )) (( segid " " and resid 838 and name HD21)) 3.100 1.200 1.200 peak 849 spectrum 1 weight 0.10000E+01 volume 0.18621E-02 ppm1 2.710 ppm2 7.604 CV 1 ASSI { 850} (( segid " " and resid 838 and name HB2 )) (( segid " " and resid 838 and name H )) 2.600 0.800 0.800 peak 850 spectrum 1 weight 0.10000E+01 volume 0.30623E-02 ppm1 2.864 ppm2 8.111 CV 1 ASSI { 852} (( segid " " and resid 838 and name HB2 )) (( segid " " and resid 838 and name HD21)) 2.700 0.900 0.900 peak 852 spectrum 1 weight 0.10000E+01 volume 0.20725E-02 ppm1 2.864 ppm2 7.606 CV 1 ASSI { 853} (( segid " " and resid 838 and name HA )) (( segid " " and resid 838 and name HD22)) 4.600 2.700 1.400 peak 853 spectrum 1 weight 0.10000E+01 volume 0.35263E-03 ppm1 4.347 ppm2 6.798 CV 1 ASSI { 856} (( segid " " and resid 838 and name HB3 )) (( segid " " and resid 838 and name HA )) 2.700 0.900 0.900 peak 856 spectrum 1 weight 0.10000E+01 volume 0.29602E-02 ppm1 2.710 ppm2 4.358 CV 1 ASSI { 858} (( segid " " and resid 838 and name HB2 )) (( segid " " and resid 838 and name HB3 )) 2.000 0.500 0.500 peak 858 spectrum 1 weight 0.10000E+01 volume 0.83454E-02 ppm1 2.863 ppm2 2.710 CV 1 ASSI { 859} (( segid " " and resid 838 and name HA )) (( segid " " and resid 838 and name HB2 )) 3.000 1.100 1.100 peak 859 spectrum 1 weight 0.10000E+01 volume 0.25612E-02 ppm1 4.354 ppm2 2.860 CV 1 ASSI { 862} (( segid " " and resid 838 and name HA )) (( segid " " and resid 841 and name HB2 )) 2.600 0.800 0.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.32943E-02 ppm1 4.354 ppm2 1.780 CV 1 ASSI { 863} (( segid " " and resid 838 and name HA )) (( segid " " and resid 841 and name HD3 )) 3.700 1.700 1.700 peak 863 spectrum 1 weight 0.10000E+01 volume 0.14569E-02 ppm1 4.354 ppm2 1.590 CV 1 ASSI { 865} (( segid " " and resid 838 and name HA )) (( segid " " and resid 841 and name HG3 )) 4.000 2.000 2.000 peak 865 spectrum 1 weight 0.10000E+01 volume 0.50730E-03 ppm1 4.351 ppm2 1.124 CV 1 ASSI { 866} (( segid " " and resid 839 and name HA )) (( segid " " and resid 839 and name H )) 2.600 0.900 0.900 peak 866 spectrum 1 weight 0.10000E+01 volume 0.41017E-02 ppm1 4.165 ppm2 7.799 CV 1 ASSI { 867} ( segid " " and resid 839 and name HB% ) (( segid " " and resid 839 and name H )) 2.100 0.500 0.500 peak 867 spectrum 1 weight 0.10000E+01 volume 0.14643E-01 ppm1 1.569 ppm2 7.800 CV 1 ASSI { 868} ( segid " " and resid 839 and name HB% ) (( segid " " and resid 836 and name H )) 3.800 1.800 1.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.85993E-03 ppm1 1.568 ppm2 7.596 CV 1 ASSI { 869} ( segid " " and resid 839 and name HB% ) (( segid " " and resid 843 and name H )) 3.900 1.900 1.900 peak 869 spectrum 1 weight 0.10000E+01 volume 0.59084E-03 ppm1 1.569 ppm2 8.236 CV 1 ASSI { 870} ( segid " " and resid 839 and name HB% ) (( segid " " and resid 838 and name H )) 3.800 1.800 1.800 peak 870 spectrum 1 weight 0.10000E+01 volume 0.15806E-02 ppm1 1.569 ppm2 8.112 CV 1 ASSI { 871} (( segid " " and resid 894 and name HA )) (( segid " " and resid 897 and name H )) 2.900 1.100 1.100 peak 871 spectrum 1 weight 0.10000E+01 volume 0.20168E-02 ppm1 4.162 ppm2 8.083 CV 1 ASSI { 872} ( segid " " and resid 839 and name HB% ) (( segid " " and resid 840 and name H )) 2.400 0.700 0.700 peak 872 spectrum 1 weight 0.10000E+01 volume 0.57906E-02 ppm1 1.569 ppm2 8.562 CV 1 ASSI { 874} (( segid " " and resid 839 and name HA )) (( segid " " and resid 840 and name H )) 3.500 1.600 1.600 peak 874 spectrum 1 weight 0.10000E+01 volume 0.89396E-03 ppm1 4.166 ppm2 8.561 CV 1 ASSI { 875} ( segid " " and resid 839 and name HB% ) (( segid " " and resid 837 and name H )) 4.200 2.200 1.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.53204E-03 ppm1 1.569 ppm2 9.047 CV 1 ASSI { 876} ( segid " " and resid 839 and name HB% ) ( segid " " and resid 798 and name HD% ) 3.200 1.300 1.300 peak 876 spectrum 1 weight 0.10000E+01 volume 0.15312E-02 ppm1 1.569 ppm2 6.925 CV 1 ASSI { 877} ( segid " " and resid 839 and name HB% ) ( segid " " and resid 798 and name HE% ) 2.700 0.900 0.900 peak 877 spectrum 1 weight 0.10000E+01 volume 0.31861E-02 ppm1 1.569 ppm2 6.536 CV 1 ASSI { 878} ( segid " " and resid 839 and name HB% ) (( segid " " and resid 836 and name HA )) 2.400 0.700 0.700 peak 878 spectrum 1 weight 0.10000E+01 volume 0.58278E-02 ppm1 1.569 ppm2 4.248 CV 1 ASSI { 879} ( segid " " and resid 839 and name HB% ) (( segid " " and resid 839 and name HA )) 2.100 0.500 0.500 peak 879 spectrum 1 weight 0.10000E+01 volume 0.14873E-01 ppm1 1.569 ppm2 4.166 CV 1 ASSI { 880} ( segid " " and resid 839 and name HB% ) (( segid " " and resid 840 and name HA )) 3.700 1.700 1.700 peak 880 spectrum 1 weight 0.10000E+01 volume 0.89707E-03 ppm1 1.568 ppm2 3.729 CV 1 ASSI { 881} ( segid " " and resid 839 and name HB% ) (( segid " " and resid 838 and name HB2 )) 2.900 1.100 1.100 peak 881 spectrum 1 weight 0.10000E+01 volume 0.96818E-03 ppm1 1.569 ppm2 2.861 CV 1 ASSI { 882} ( segid " " and resid 839 and name HB% ) (( segid " " and resid 838 and name HB3 )) 3.000 3.000 3.000 peak 882 spectrum 1 weight 0.10000E+01 volume 0.74545E-03 ppm1 1.569 ppm2 2.712 CV 1 ASSI { 883} (( segid " " and resid 894 and name HA )) (( segid " " and resid 897 and name HB3 )) 2.600 0.800 0.800 peak 883 spectrum 1 weight 0.10000E+01 volume 0.22272E-02 ppm1 4.162 ppm2 1.991 CV 1 ASSI { 884} ( segid " " and resid 839 and name HB% ) ( segid " " and resid 840 and name HD1%) 4.100 2.100 1.900 peak 884 spectrum 1 weight 0.10000E+01 volume 0.11136E-02 ppm1 1.569 ppm2 0.319 CV 1 ASSI { 885} ( segid " " and resid 839 and name HB% ) ( segid " " and resid 836 and name HD2%) 2.600 0.800 0.800 peak 885 spectrum 1 weight 0.10000E+01 volume 0.58339E-02 ppm1 1.569 ppm2 0.690 CV 1 ASSI { 887} (( segid " " and resid 840 and name HA )) (( segid " " and resid 844 and name H )) 3.800 1.800 1.800 peak 887 spectrum 1 weight 0.10000E+01 volume 0.45781E-03 ppm1 3.727 ppm2 8.791 CV 1 ASSI { 888} (( segid " " and resid 840 and name HA )) (( segid " " and resid 840 and name H )) 2.900 1.000 1.000 peak 888 spectrum 1 weight 0.10000E+01 volume 0.19704E-02 ppm1 3.731 ppm2 8.562 CV 1 ASSI { 889} (( segid " " and resid 840 and name HA )) (( segid " " and resid 841 and name H )) 3.500 1.600 1.600 peak 889 spectrum 1 weight 0.10000E+01 volume 0.69909E-03 ppm1 3.731 ppm2 8.499 CV 1 ASSI { 894} ( segid " " and resid 840 and name HD1%) (( segid " " and resid 840 and name H )) 3.600 1.600 1.600 peak 894 spectrum 1 weight 0.10000E+01 volume 0.23293E-02 ppm1 0.317 ppm2 8.561 CV 1 ASSI { 895} ( segid " " and resid 840 and name HD1%) (( segid " " and resid 841 and name H )) 4.400 2.400 1.600 peak 895 spectrum 1 weight 0.10000E+01 volume 0.70526E-03 ppm1 0.318 ppm2 8.500 CV 1 ASSI { 896} ( segid " " and resid 840 and name HD1%) (( segid " " and resid 860 and name H )) 3.600 1.600 1.600 peak 896 spectrum 1 weight 0.10000E+01 volume 0.89707E-03 ppm1 0.317 ppm2 8.253 CV 1 ASSI { 897} ( segid " " and resid 840 and name HD1%) (( segid " " and resid 837 and name H )) 4.100 2.100 1.900 peak 897 spectrum 1 weight 0.10000E+01 volume 0.46709E-03 ppm1 0.318 ppm2 9.046 CV 1 ASSI { 899} ( segid " " and resid 840 and name HG2%) (( segid " " and resid 844 and name H )) 3.500 1.500 1.500 peak 899 spectrum 1 weight 0.10000E+01 volume 0.93415E-03 ppm1 0.781 ppm2 8.793 CV 1 ASSI { 900} ( segid " " and resid 840 and name HG2%) (( segid " " and resid 840 and name H )) 3.600 1.600 1.600 peak 900 spectrum 1 weight 0.10000E+01 volume 0.22921E-02 ppm1 0.781 ppm2 8.562 CV 1 ASSI { 901} ( segid " " and resid 840 and name HG2%) (( segid " " and resid 841 and name H )) 3.200 1.300 1.300 peak 901 spectrum 1 weight 0.10000E+01 volume 0.19240E-02 ppm1 0.781 ppm2 8.500 CV 1 ASSI { 902} ( segid " " and resid 840 and name HG2%) (( segid " " and resid 860 and name H )) 2.600 0.900 0.900 peak 902 spectrum 1 weight 0.10000E+01 volume 0.38883E-02 ppm1 0.781 ppm2 8.254 CV 1 ASSI { 903} ( segid " " and resid 840 and name HG2%) (( segid " " and resid 856 and name H )) 4.200 2.200 1.800 peak 903 spectrum 1 weight 0.10000E+01 volume 0.88161E-03 ppm1 0.782 ppm2 7.970 CV 1 ASSI { 904} ( segid " " and resid 840 and name HG2%) (( segid " " and resid 859 and name H )) 3.600 1.600 1.600 peak 904 spectrum 1 weight 0.10000E+01 volume 0.90636E-03 ppm1 0.781 ppm2 7.779 CV 1 ASSI { 906} ( segid " " and resid 840 and name HD1%) ( segid " " and resid 798 and name HE% ) 3.900 1.900 1.900 peak 906 spectrum 1 weight 0.10000E+01 volume 0.10548E-02 ppm1 0.316 ppm2 6.537 CV 1 ASSI { 909} ( segid " " and resid 840 and name HD1%) (( segid " " and resid 836 and name HA )) 4.100 2.100 1.900 peak 909 spectrum 1 weight 0.10000E+01 volume 0.55989E-03 ppm1 0.319 ppm2 4.253 CV 1 ASSI { 910} ( segid " " and resid 840 and name HD1%) (( segid " " and resid 904 and name HA )) 4.100 2.100 1.900 peak 910 spectrum 1 weight 0.10000E+01 volume 0.64649E-03 ppm1 0.317 ppm2 3.937 CV 1 ASSI { 911} ( segid " " and resid 840 and name HD1%) (( segid " " and resid 860 and name HA )) 2.900 1.000 1.000 peak 911 spectrum 1 weight 0.10000E+01 volume 0.18745E-02 ppm1 0.317 ppm2 3.843 CV 1 ASSI { 914} ( segid " " and resid 840 and name HG2%) (( segid " " and resid 856 and name HA )) 2.900 1.000 1.000 peak 914 spectrum 1 weight 0.10000E+01 volume 0.25086E-02 ppm1 0.781 ppm2 3.952 CV 1 ASSI { 915} ( segid " " and resid 840 and name HG2%) (( segid " " and resid 860 and name HA )) 3.200 1.300 1.300 peak 915 spectrum 1 weight 0.10000E+01 volume 0.20106E-02 ppm1 0.781 ppm2 3.857 CV 1 ASSI { 916} ( segid " " and resid 840 and name HG2%) (( segid " " and resid 840 and name HA )) 2.400 0.700 0.700 peak 916 spectrum 1 weight 0.10000E+01 volume 0.52741E-02 ppm1 0.781 ppm2 3.725 CV 1 ASSI { 917} ( segid " " and resid 840 and name HG2%) (( segid " " and resid 837 and name HA )) 3.900 1.900 1.900 peak 917 spectrum 1 weight 0.10000E+01 volume 0.12095E-02 ppm1 0.781 ppm2 3.273 CV 1 ASSI { 920} (( segid " " and resid 840 and name HA )) (( segid " " and resid 843 and name HB2 )) 3.300 1.400 1.400 peak 920 spectrum 1 weight 0.10000E+01 volume 0.12775E-02 ppm1 3.730 ppm2 3.014 CV 1 ASSI { 921} (( segid " " and resid 840 and name HA )) (( segid " " and resid 843 and name HB3 )) 3.200 1.300 1.300 peak 921 spectrum 1 weight 0.10000E+01 volume 0.10208E-02 ppm1 3.730 ppm2 2.579 CV 1 ASSI { 922} (( segid " " and resid 840 and name HA )) (( segid " " and resid 840 and name HB )) 3.100 1.200 1.200 peak 922 spectrum 1 weight 0.10000E+01 volume 0.13239E-02 ppm1 3.728 ppm2 1.605 CV 1 ASSI { 924} (( segid " " and resid 840 and name HA )) (( segid " " and resid 840 and name HG13)) 3.100 1.200 1.200 peak 924 spectrum 1 weight 0.10000E+01 volume 0.16673E-02 ppm1 3.729 ppm2 1.376 CV 1 ASSI { 927} (( segid " " and resid 840 and name HB )) (( segid " " and resid 840 and name HG13)) 3.200 1.200 1.200 peak 927 spectrum 1 weight 0.10000E+01 volume 0.76097E-03 ppm1 1.604 ppm2 1.380 CV 1 ASSI { 928} ( segid " " and resid 840 and name HD1%) (( segid " " and resid 840 and name HB )) 2.500 0.800 0.800 peak 928 spectrum 1 weight 0.10000E+01 volume 0.40398E-02 ppm1 0.317 ppm2 1.609 CV 1 ASSI { 930} ( segid " " and resid 840 and name HD1%) (( segid " " and resid 840 and name HG13)) 2.200 0.600 0.600 peak 930 spectrum 1 weight 0.10000E+01 volume 0.66694E-02 ppm1 0.317 ppm2 1.379 CV 1 ASSI { 931} ( segid " " and resid 840 and name HD1%) ( segid " " and resid 904 and name HB% ) 2.600 0.800 0.800 peak 931 spectrum 1 weight 0.10000E+01 volume 0.37212E-02 ppm1 0.317 ppm2 1.299 CV 1 ASSI { 932} ( segid " " and resid 840 and name HD1%) (( segid " " and resid 836 and name HG )) 3.400 1.500 1.500 peak 932 spectrum 1 weight 0.10000E+01 volume 0.25952E-02 ppm1 0.316 ppm2 1.234 CV 1 ASSI { 933} ( segid " " and resid 840 and name HG2%) (( segid " " and resid 840 and name HB )) 2.200 0.600 0.600 peak 933 spectrum 1 weight 0.10000E+01 volume 0.72106E-02 ppm1 0.781 ppm2 1.608 CV 1 ASSI { 934} ( segid " " and resid 840 and name HG2%) ( segid " " and resid 844 and name HB% ) 3.000 1.100 1.100 peak 934 spectrum 1 weight 0.10000E+01 volume 0.26200E-02 ppm1 0.781 ppm2 1.541 CV 1 ASSI { 937} ( segid " " and resid 840 and name HG2%) (( segid " " and resid 856 and name HB2 )) 3.500 1.600 1.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.25272E-02 ppm1 0.781 ppm2 1.985 CV 1 ASSI { 938} ( segid " " and resid 840 and name HG2%) (( segid " " and resid 856 and name HG )) 3.700 1.700 1.700 peak 938 spectrum 1 weight 0.10000E+01 volume 0.20261E-02 ppm1 0.781 ppm2 1.790 CV 1 ASSI { 939} ( segid " " and resid 840 and name HG2%) ( segid " " and resid 856 and name HD2%) 2.400 0.700 0.700 peak 939 spectrum 1 weight 0.10000E+01 volume 0.61652E-02 ppm1 0.781 ppm2 0.957 CV 1 ASSI { 941} (( segid " " and resid 840 and name HA )) ( segid " " and resid 856 and name HD2%) 3.900 1.900 1.900 peak 941 spectrum 1 weight 0.10000E+01 volume 0.53514E-03 ppm1 3.731 ppm2 0.958 CV 1 ASSI { 942} (( segid " " and resid 840 and name HA )) ( segid " " and resid 840 and name HD1%) 3.700 1.700 1.700 peak 942 spectrum 1 weight 0.10000E+01 volume 0.21808E-02 ppm1 3.728 ppm2 0.323 CV 1 ASSI { 949} (( segid " " and resid 840 and name HG13)) ( segid " " and resid 840 and name HG2%) 3.900 1.900 1.900 peak 949 spectrum 1 weight 0.10000E+01 volume 0.10208E-02 ppm1 1.376 ppm2 0.780 CV 1 ASSI { 952} ( segid " " and resid 840 and name HG2%) ( segid " " and resid 840 and name HD1%) 2.100 0.500 0.500 peak 952 spectrum 1 weight 0.10000E+01 volume 0.12531E-01 ppm1 0.781 ppm2 0.317 CV 1 ASSI { 953} (( segid " " and resid 841 and name HB2 )) (( segid " " and resid 842 and name H )) 2.900 1.100 1.100 peak 953 spectrum 1 weight 0.10000E+01 volume 0.20014E-02 ppm1 1.782 ppm2 7.756 CV 1 OR { 953} (( segid " " and resid 841 and name HB3 )) (( segid " " and resid 842 and name H )) ASSI { 954} (( segid " " and resid 841 and name HB2 )) (( segid " " and resid 841 and name H )) 2.600 0.900 0.900 peak 954 spectrum 1 weight 0.10000E+01 volume 0.32850E-02 ppm1 1.782 ppm2 8.501 CV 1 OR { 954} (( segid " " and resid 841 and name HB3 )) (( segid " " and resid 841 and name H )) ASSI { 955} (( segid " " and resid 841 and name HD3 )) (( segid " " and resid 841 and name H )) 4.600 2.700 1.400 peak 955 spectrum 1 weight 0.10000E+01 volume 0.59701E-03 ppm1 1.585 ppm2 8.499 CV 1 ASSI { 956} (( segid " " and resid 841 and name HD2 )) (( segid " " and resid 841 and name H )) 4.200 2.200 1.800 peak 956 spectrum 1 weight 0.10000E+01 volume 0.51967E-03 ppm1 1.535 ppm2 8.501 CV 1 ASSI { 957} (( segid " " and resid 875 and name HD2 )) (( segid " " and resid 875 and name H )) 3.700 1.700 1.700 peak 957 spectrum 1 weight 0.10000E+01 volume 0.16704E-02 ppm1 1.581 ppm2 7.964 CV 1 OR { 957} (( segid " " and resid 875 and name HD3 )) (( segid " " and resid 875 and name H )) ASSI { 959} (( segid " " and resid 841 and name HE3 )) (( segid " " and resid 841 and name H )) 4.300 2.300 1.700 peak 959 spectrum 1 weight 0.10000E+01 volume 0.36810E-03 ppm1 2.757 ppm2 8.502 CV 1 ASSI { 960} (( segid " " and resid 841 and name HG3 )) (( segid " " and resid 841 and name H )) 3.200 1.300 1.300 peak 960 spectrum 1 weight 0.10000E+01 volume 0.11012E-02 ppm1 1.128 ppm2 8.500 CV 1 ASSI { 963} (( segid " " and resid 822 and name HA )) (( segid " " and resid 815 and name HB2 )) 3.400 1.400 1.400 peak 963 spectrum 1 weight 0.10000E+01 volume 0.72383E-03 ppm1 3.705 ppm2 3.929 CV 1 ASSI { 964} (( segid " " and resid 841 and name HA )) (( segid " " and resid 857 and name HA )) 3.700 1.700 1.700 peak 964 spectrum 1 weight 0.10000E+01 volume 0.78571E-03 ppm1 3.701 ppm2 3.880 CV 1 ASSI { 966} (( segid " " and resid 875 and name HD2 )) (( segid " " and resid 875 and name HA )) 4.000 2.000 2.000 peak 966 spectrum 1 weight 0.10000E+01 volume 0.12095E-02 ppm1 1.581 ppm2 3.758 CV 1 OR { 966} (( segid " " and resid 875 and name HD3 )) (( segid " " and resid 875 and name HA )) ASSI { 967} (( segid " " and resid 841 and name HD3 )) (( segid " " and resid 841 and name HA )) 4.500 2.500 1.500 peak 967 spectrum 1 weight 0.10000E+01 volume 0.52586E-03 ppm1 1.587 ppm2 3.698 CV 1 ASSI { 969} (( segid " " and resid 841 and name HD2 )) (( segid " " and resid 838 and name HA )) 3.400 1.400 1.400 peak 969 spectrum 1 weight 0.10000E+01 volume 0.64032E-03 ppm1 1.540 ppm2 4.353 CV 1 ASSI { 970} (( segid " " and resid 841 and name HE2 )) (( segid " " and resid 838 and name HA )) 3.400 3.400 2.600 peak 970 spectrum 1 weight 0.10000E+01 volume 0.36191E-03 ppm1 2.829 ppm2 4.359 CV 1 ASSI { 971} (( segid " " and resid 841 and name HE3 )) (( segid " " and resid 838 and name HA )) 3.800 1.800 1.800 peak 971 spectrum 1 weight 0.10000E+01 volume 0.38357E-03 ppm1 2.759 ppm2 4.359 CV 1 ASSI { 975} (( segid " " and resid 841 and name HD2 )) (( segid " " and resid 841 and name HE2 )) 3.400 1.500 1.500 peak 975 spectrum 1 weight 0.10000E+01 volume 0.10301E-02 ppm1 1.538 ppm2 2.828 CV 1 ASSI { 977} (( segid " " and resid 841 and name HD2 )) (( segid " " and resid 841 and name HE3 )) 3.100 1.200 1.200 peak 977 spectrum 1 weight 0.10000E+01 volume 0.94344E-03 ppm1 1.539 ppm2 2.756 CV 1 ASSI { 978} (( segid " " and resid 875 and name HD3 )) (( segid " " and resid 875 and name HE3 )) 2.800 0.900 0.900 peak 978 spectrum 1 weight 0.10000E+01 volume 0.28118E-02 ppm1 1.580 ppm2 2.731 CV 1 OR { 978} (( segid " " and resid 875 and name HD2 )) (( segid " " and resid 875 and name HE3 )) ASSI { 981} (( segid " " and resid 841 and name HG3 )) (( segid " " and resid 841 and name HB2 )) 2.700 0.900 0.900 peak 981 spectrum 1 weight 0.10000E+01 volume 0.31706E-02 ppm1 1.128 ppm2 1.780 CV 1 OR { 981} (( segid " " and resid 841 and name HG3 )) (( segid " " and resid 841 and name HB3 )) ASSI { 982} (( segid " " and resid 841 and name HG3 )) (( segid " " and resid 841 and name HG2 )) 2.000 0.500 0.500 peak 982 spectrum 1 weight 0.10000E+01 volume 0.62951E-02 ppm1 1.127 ppm2 1.603 CV 1 ASSI { 984} (( segid " " and resid 841 and name HE2 )) (( segid " " and resid 841 and name HB2 )) 3.400 1.500 1.500 peak 984 spectrum 1 weight 0.10000E+01 volume 0.15528E-02 ppm1 2.828 ppm2 1.782 CV 1 OR { 984} (( segid " " and resid 841 and name HE2 )) (( segid " " and resid 841 and name HB3 )) ASSI { 985} (( segid " " and resid 841 and name HE3 )) (( segid " " and resid 841 and name HB2 )) 3.200 1.300 1.300 peak 985 spectrum 1 weight 0.10000E+01 volume 0.13456E-02 ppm1 2.760 ppm2 1.780 CV 1 OR { 985} (( segid " " and resid 841 and name HE3 )) (( segid " " and resid 841 and name HB3 )) ASSI { 987} (( segid " " and resid 841 and name HE2 )) ( segid " " and resid 860 and name HB% ) 3.500 1.500 1.500 peak 987 spectrum 1 weight 0.10000E+01 volume 0.71766E-03 ppm1 2.831 ppm2 1.463 CV 1 ASSI { 992} (( segid " " and resid 875 and name HD2 )) (( segid " " and resid 875 and name HB2 )) 2.500 0.800 0.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.58432E-02 ppm1 1.583 ppm2 1.810 CV 1 OR { 992} (( segid " " and resid 875 and name HD2 )) (( segid " " and resid 875 and name HB3 )) OR { 992} (( segid " " and resid 875 and name HD3 )) (( segid " " and resid 875 and name HB2 )) OR { 992} (( segid " " and resid 875 and name HD3 )) (( segid " " and resid 875 and name HB3 )) ASSI { 993} (( segid " " and resid 841 and name HG3 )) ( segid " " and resid 860 and name HB% ) 3.300 1.400 1.400 peak 993 spectrum 1 weight 0.10000E+01 volume 0.64960E-03 ppm1 1.130 ppm2 1.460 CV 1 ASSI { 994} (( segid " " and resid 841 and name HE2 )) (( segid " " and resid 841 and name HG3 )) 3.000 1.100 1.100 peak 994 spectrum 1 weight 0.10000E+01 volume 0.13301E-02 ppm1 2.829 ppm2 1.125 CV 1 ASSI { 995} (( segid " " and resid 841 and name HE3 )) (( segid " " and resid 841 and name HG3 )) 3.200 1.300 1.300 peak 995 spectrum 1 weight 0.10000E+01 volume 0.12126E-02 ppm1 2.760 ppm2 1.127 CV 1 ASSI { 998} (( segid " " and resid 841 and name HD3 )) (( segid " " and resid 841 and name HG3 )) 3.000 1.100 1.100 peak 998 spectrum 1 weight 0.10000E+01 volume 0.18034E-02 ppm1 1.587 ppm2 1.127 CV 1 ASSI { 999} (( segid " " and resid 841 and name HD2 )) (( segid " " and resid 841 and name HG3 )) 2.900 1.000 1.000 peak 999 spectrum 1 weight 0.10000E+01 volume 0.19673E-02 ppm1 1.538 ppm2 1.128 CV 1 ASSI { 1000} (( segid " " and resid 875 and name HD3 )) ( segid " " and resid 871 and name HG1%) 2.600 0.800 0.800 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.47327E-02 ppm1 1.582 ppm2 0.847 CV 1 OR { 1000} (( segid " " and resid 875 and name HD2 )) ( segid " " and resid 871 and name HG1%) ASSI { 1001} (( segid " " and resid 841 and name HD2 )) ( segid " " and resid 837 and name HG1%) 3.100 1.200 1.200 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.14508E-02 ppm1 1.541 ppm2 0.849 CV 1 ASSI { 1002} (( segid " " and resid 841 and name HB3 )) ( segid " " and resid 857 and name HD2%) 3.700 1.700 1.700 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.11260E-02 ppm1 1.781 ppm2 0.788 CV 1 OR { 1002} (( segid " " and resid 841 and name HB2 )) ( segid " " and resid 857 and name HD2%) ASSI { 1005} (( segid " " and resid 841 and name HE3 )) ( segid " " and resid 857 and name HD2%) 3.700 1.700 1.700 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.10579E-02 ppm1 2.760 ppm2 0.788 CV 1 ASSI { 1006} (( segid " " and resid 875 and name HE2 )) (( segid " " and resid 875 and name HG2 )) 3.200 1.300 1.300 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.12775E-02 ppm1 2.811 ppm2 1.259 CV 1 ASSI { 1007} (( segid " " and resid 875 and name HE3 )) (( segid " " and resid 875 and name HG2 )) 3.100 1.200 1.200 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.11105E-02 ppm1 2.728 ppm2 1.258 CV 1 ASSI { 1009} (( segid " " and resid 842 and name HA )) (( segid " " and resid 842 and name H )) 2.600 0.800 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.45657E-02 ppm1 4.122 ppm2 7.756 CV 1 ASSI { 1010} (( segid " " and resid 842 and name HA )) (( segid " " and resid 843 and name H )) 3.300 1.400 1.400 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.13517E-02 ppm1 4.122 ppm2 8.237 CV 1 ASSI { 1013} ( segid " " and resid 832 and name HB% ) (( segid " " and resid 805 and name H )) 3.700 1.700 1.700 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.10703E-02 ppm1 1.459 ppm2 7.885 CV 1 ASSI { 1015} ( segid " " and resid 859 and name HB% ) (( segid " " and resid 859 and name H )) 1.900 0.500 0.500 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.21746E-01 ppm1 1.455 ppm2 7.772 CV 1 ASSI { 1018} ( segid " " and resid 859 and name HB% ) (( segid " " and resid 907 and name HD21)) 2.900 1.100 1.100 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.15962E-02 ppm1 1.457 ppm2 7.416 CV 1 ASSI { 1019} ( segid " " and resid 859 and name HB% ) (( segid " " and resid 907 and name HD22)) 3.400 1.400 1.400 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.17786E-02 ppm1 1.456 ppm2 6.876 CV 1 ASSI { 1020} ( segid " " and resid 842 and name HB% ) (( segid " " and resid 842 and name HA )) 2.000 0.500 0.500 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.18962E-01 ppm1 1.453 ppm2 4.125 CV 1 ASSI { 1021} ( segid " " and resid 859 and name HB% ) (( segid " " and resid 859 and name HA )) 2.100 0.600 0.600 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.13103E-01 ppm1 1.457 ppm2 4.046 CV 1 ASSI { 1022} ( segid " " and resid 859 and name HB% ) (( segid " " and resid 904 and name HA )) 2.400 0.700 0.700 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.89178E-02 ppm1 1.457 ppm2 3.941 CV 1 ASSI { 1023} ( segid " " and resid 860 and name HB% ) (( segid " " and resid 860 and name HA )) 2.100 0.500 0.500 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.13554E-01 ppm1 1.464 ppm2 3.848 CV 1 ASSI { 1024} ( segid " " and resid 842 and name HB% ) (( segid " " and resid 843 and name HA )) 3.300 1.400 1.400 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.15281E-02 ppm1 1.454 ppm2 4.386 CV 1 ASSI { 1025} ( segid " " and resid 860 and name HB% ) (( segid " " and resid 841 and name HA )) 3.100 1.200 1.200 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.15714E-02 ppm1 1.458 ppm2 3.711 CV 1 ASSI { 1026} ( segid " " and resid 860 and name HB% ) (( segid " " and resid 837 and name HA )) 2.700 0.900 0.900 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.26633E-02 ppm1 1.464 ppm2 3.273 CV 1 ASSI { 1028} ( segid " " and resid 860 and name HB% ) (( segid " " and resid 841 and name HE3 )) 3.200 1.300 1.300 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.10208E-02 ppm1 1.464 ppm2 2.754 CV 1 ASSI { 1029} ( segid " " and resid 859 and name HB% ) (( segid " " and resid 907 and name HB2 )) 3.300 1.400 1.400 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.18931E-02 ppm1 1.456 ppm2 2.717 CV 1 OR { 1029} ( segid " " and resid 859 and name HB% ) (( segid " " and resid 907 and name HB3 )) ASSI { 1030} ( segid " " and resid 842 and name HB% ) (( segid " " and resid 843 and name HB3 )) 4.700 2.700 1.300 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.50111E-03 ppm1 1.454 ppm2 2.575 CV 1 ASSI { 1031} (( segid " " and resid 842 and name HA )) (( segid " " and resid 845 and name HG2 )) 3.700 1.700 1.700 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.84447E-03 ppm1 4.122 ppm2 2.408 CV 1 ASSI { 1032} (( segid " " and resid 842 and name HA )) (( segid " " and resid 845 and name HG3 )) 3.400 1.500 1.500 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.72383E-03 ppm1 4.125 ppm2 2.250 CV 1 ASSI { 1033} (( segid " " and resid 842 and name HA )) (( segid " " and resid 845 and name HB2 )) 2.900 1.100 1.100 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.19117E-02 ppm1 4.122 ppm2 2.075 CV 1 ASSI { 1034} ( segid " " and resid 842 and name HB% ) (( segid " " and resid 845 and name HB2 )) 3.800 1.800 1.800 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.81350E-03 ppm1 1.454 ppm2 2.072 CV 1 ASSI { 1036} ( segid " " and resid 860 and name HB% ) (( segid " " and resid 861 and name HB2 )) 3.600 1.600 1.600 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.11693E-02 ppm1 1.463 ppm2 1.893 CV 1 ASSI { 1037} ( segid " " and resid 859 and name HB% ) (( segid " " and resid 862 and name HB )) 3.800 1.800 1.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.11229E-02 ppm1 1.456 ppm2 1.866 CV 1 ASSI { 1040} (( segid " " and resid 842 and name HA )) (( segid " " and resid 841 and name HB3 )) 3.700 1.700 1.700 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.59389E-03 ppm1 4.123 ppm2 1.780 CV 1 OR { 1040} (( segid " " and resid 842 and name HA )) (( segid " " and resid 841 and name HB2 )) ASSI { 1046} ( segid " " and resid 859 and name HB% ) ( segid " " and resid 904 and name HB% ) 2.900 1.100 1.100 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.18498E-02 ppm1 1.456 ppm2 1.298 CV 1 ASSI { 1048} (( segid " " and resid 843 and name HA )) (( segid " " and resid 844 and name H )) 3.300 1.300 1.300 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.12837E-02 ppm1 4.391 ppm2 8.794 CV 1 ASSI { 1049} (( segid " " and resid 843 and name HA )) (( segid " " and resid 843 and name H )) 2.700 0.900 0.900 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.38945E-02 ppm1 4.391 ppm2 8.237 CV 1 ASSI { 1055} (( segid " " and resid 843 and name HA )) (( segid " " and resid 846 and name H )) 3.300 1.400 1.400 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.90941E-03 ppm1 4.390 ppm2 7.529 CV 1 ASSI { 1056} (( segid " " and resid 843 and name HA )) (( segid " " and resid 846 and name HA3 )) 3.600 1.600 1.600 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.63415E-03 ppm1 4.392 ppm2 3.721 CV 1 ASSI { 1060} (( segid " " and resid 843 and name HA )) (( segid " " and resid 843 and name HB2 )) 2.800 1.000 1.000 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.21839E-02 ppm1 4.390 ppm2 3.015 CV 1 ASSI { 1061} (( segid " " and resid 843 and name HA )) (( segid " " and resid 843 and name HB3 )) 2.800 1.000 1.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.39872E-02 ppm1 4.390 ppm2 2.579 CV 1 ASSI { 1062} (( segid " " and resid 843 and name HB3 )) (( segid " " and resid 843 and name HB2 )) 2.300 0.600 0.600 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.37460E-02 ppm1 2.574 ppm2 3.014 CV 1 ASSI { 1064} (( segid " " and resid 835 and name HB3 )) (( segid " " and resid 835 and name HB2 )) 2.000 0.500 0.500 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.72753E-02 ppm1 2.601 ppm2 2.779 CV 1 ASSI { 1066} (( segid " " and resid 843 and name HA )) ( segid " " and resid 856 and name HD1%) 4.100 2.100 1.900 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.49493E-03 ppm1 4.391 ppm2 0.826 CV 1 ASSI { 1069} (( segid " " and resid 844 and name HA )) (( segid " " and resid 844 and name H )) 2.700 0.900 0.900 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.25365E-02 ppm1 3.901 ppm2 8.793 CV 1 ASSI { 1070} ( segid " " and resid 844 and name HB% ) (( segid " " and resid 844 and name H )) 2.200 0.600 0.600 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.95860E-02 ppm1 1.537 ppm2 8.793 CV 1 ASSI { 1071} ( segid " " and resid 894 and name HB% ) (( segid " " and resid 894 and name H )) 2.100 0.500 0.500 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.11696E-01 ppm1 1.537 ppm2 8.618 CV 1 ASSI { 1072} ( segid " " and resid 844 and name HB% ) (( segid " " and resid 857 and name H )) 3.000 1.100 1.100 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.27561E-02 ppm1 1.537 ppm2 8.257 CV 1 ASSI { 1073} ( segid " " and resid 894 and name HB% ) (( segid " " and resid 895 and name H )) 2.400 0.700 0.700 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.59019E-02 ppm1 1.537 ppm2 8.056 CV 1 ASSI { 1074} ( segid " " and resid 844 and name HB% ) (( segid " " and resid 856 and name H )) 4.000 2.000 2.000 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.11600E-02 ppm1 1.537 ppm2 7.969 CV 1 ASSI { 1075} ( segid " " and resid 844 and name HB% ) (( segid " " and resid 845 and name H )) 2.500 0.800 0.800 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.46492E-02 ppm1 1.537 ppm2 7.858 CV 1 ASSI { 1076} ( segid " " and resid 844 and name HB% ) (( segid " " and resid 846 and name H )) 4.100 2.100 1.900 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.68980E-03 ppm1 1.537 ppm2 7.523 CV 1 ASSI { 1077} ( segid " " and resid 894 and name HB% ) ( segid " " and resid 813 and name HD% ) 2.900 1.000 1.000 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.10548E-02 ppm1 1.536 ppm2 7.330 CV 1 ASSI { 1078} ( segid " " and resid 894 and name HB% ) ( segid " " and resid 813 and name HE% ) 2.500 0.800 0.800 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.47915E-02 ppm1 1.537 ppm2 7.121 CV 1 ASSI { 1079} ( segid " " and resid 894 and name HB% ) (( segid " " and resid 813 and name HZ )) 2.200 0.600 0.600 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.66165E-02 ppm1 1.537 ppm2 7.024 CV 1 ASSI { 1082} ( segid " " and resid 844 and name HB% ) (( segid " " and resid 844 and name HA )) 2.100 0.500 0.500 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.11671E-01 ppm1 1.537 ppm2 3.903 CV 1 ASSI { 1086} ( segid " " and resid 844 and name HB% ) (( segid " " and resid 847 and name HG2 )) 4.400 2.400 1.600 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.46709E-03 ppm1 1.536 ppm2 2.205 CV 1 ASSI { 1088} ( segid " " and resid 894 and name HB% ) ( segid " " and resid 870 and name HE% ) 2.300 0.600 0.600 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.73499E-02 ppm1 1.537 ppm2 1.953 CV 1 ASSI { 1090} ( segid " " and resid 844 and name HB% ) (( segid " " and resid 857 and name HG )) 2.400 0.700 0.700 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.38326E-02 ppm1 1.537 ppm2 1.712 CV 1 ASSI { 1092} ( segid " " and resid 844 and name HB% ) (( segid " " and resid 856 and name HB3 )) 2.900 1.000 1.000 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.21591E-02 ppm1 1.536 ppm2 1.387 CV 1 ASSI { 1094} ( segid " " and resid 844 and name HB% ) ( segid " " and resid 856 and name HD2%) 4.200 2.200 1.800 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.11229E-02 ppm1 1.537 ppm2 0.956 CV 1 ASSI { 1095} ( segid " " and resid 844 and name HB% ) ( segid " " and resid 857 and name HD2%) 2.100 0.600 0.600 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.14789E-01 ppm1 1.537 ppm2 0.792 CV 1 OR { 1095} ( segid " " and resid 844 and name HB% ) ( segid " " and resid 857 and name HD1%) ASSI { 1096} ( segid " " and resid 894 and name HB% ) ( segid " " and resid 890 and name HD1%) 3.200 1.300 1.300 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.92487E-03 ppm1 1.537 ppm2 0.693 CV 1 ASSI { 1097} ( segid " " and resid 894 and name HB% ) ( segid " " and resid 812 and name HD1%) 2.900 1.000 1.000 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.10610E-02 ppm1 1.537 ppm2 0.638 CV 1 ASSI { 1099} (( segid " " and resid 845 and name HA )) (( segid " " and resid 846 and name H )) 3.000 1.100 1.100 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.22704E-02 ppm1 4.014 ppm2 7.528 CV 1 ASSI { 1100} (( segid " " and resid 845 and name HA )) (( segid " " and resid 845 and name H )) 2.500 0.800 0.800 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.55494E-02 ppm1 4.014 ppm2 7.858 CV 1 ASSI { 1102} (( segid " " and resid 845 and name HB3 )) (( segid " " and resid 845 and name H )) 3.000 1.200 1.200 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.35356E-02 ppm1 2.036 ppm2 7.859 CV 1 ASSI { 1103} (( segid " " and resid 872 and name HB2 )) (( segid " " and resid 872 and name H )) 2.200 0.600 0.600 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.74827E-02 ppm1 2.015 ppm2 7.786 CV 1 ASSI { 1104} (( segid " " and resid 845 and name HB2 )) (( segid " " and resid 846 and name H )) 3.200 1.300 1.300 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.10425E-02 ppm1 2.077 ppm2 7.528 CV 1 ASSI { 1105} (( segid " " and resid 845 and name HB3 )) (( segid " " and resid 846 and name H )) 3.600 1.700 1.700 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.12033E-02 ppm1 2.037 ppm2 7.528 CV 1 ASSI { 1106} (( segid " " and resid 872 and name HB2 )) (( segid " " and resid 873 and name H )) 2.600 0.900 0.900 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.36222E-02 ppm1 2.014 ppm2 8.133 CV 1 OR { 1106} (( segid " " and resid 872 and name HB3 )) (( segid " " and resid 873 and name H )) ASSI { 1110} (( segid " " and resid 845 and name HG2 )) (( segid " " and resid 846 and name H )) 4.400 2.400 1.600 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.48255E-03 ppm1 2.410 ppm2 7.527 CV 1 ASSI { 1111} (( segid " " and resid 845 and name HG3 )) (( segid " " and resid 845 and name H )) 2.900 1.000 1.000 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.19580E-02 ppm1 2.256 ppm2 7.858 CV 1 ASSI { 1113} (( segid " " and resid 872 and name HG3 )) (( segid " " and resid 872 and name H )) 2.400 0.700 0.700 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.65237E-02 ppm1 2.264 ppm2 7.786 CV 1 OR { 1113} (( segid " " and resid 872 and name HG2 )) (( segid " " and resid 872 and name H )) ASSI { 1114} (( segid " " and resid 845 and name HG3 )) (( segid " " and resid 846 and name H )) 4.100 2.100 1.900 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.55370E-03 ppm1 2.245 ppm2 7.526 CV 1 ASSI { 1115} (( segid " " and resid 845 and name HG2 )) (( segid " " and resid 845 and name H )) 2.900 1.000 1.000 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.28582E-02 ppm1 2.411 ppm2 7.858 CV 1 ASSI { 1116} (( segid " " and resid 851 and name HG2 )) (( segid " " and resid 851 and name H )) 2.700 0.900 0.900 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.29572E-02 ppm1 2.251 ppm2 8.235 CV 1 ASSI { 1117} (( segid " " and resid 851 and name HG2 )) (( segid " " and resid 851 and name H )) 2.800 1.000 1.000 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.26169E-02 ppm1 2.222 ppm2 8.235 CV 1 OR { 1117} (( segid " " and resid 851 and name HG3 )) (( segid " " and resid 851 and name H )) ASSI { 1118} (( segid " " and resid 892 and name HG2 )) (( segid " " and resid 892 and name H )) 2.700 0.900 0.900 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.35078E-02 ppm1 2.439 ppm2 8.442 CV 1 ASSI { 1122} (( segid " " and resid 851 and name HG2 )) (( segid " " and resid 851 and name HA )) 2.900 1.000 1.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.28180E-02 ppm1 2.251 ppm2 4.086 CV 1 ASSI { 1123} (( segid " " and resid 851 and name HG3 )) (( segid " " and resid 851 and name HA )) 3.100 1.200 1.200 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.23663E-02 ppm1 2.221 ppm2 4.082 CV 1 ASSI { 1124} (( segid " " and resid 845 and name HG3 )) (( segid " " and resid 845 and name HA )) 2.900 1.100 1.100 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.42842E-02 ppm1 2.258 ppm2 4.015 CV 1 ASSI { 1125} (( segid " " and resid 845 and name HA )) (( segid " " and resid 845 and name HB2 )) 2.700 0.900 0.900 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.49431E-02 ppm1 4.013 ppm2 2.071 CV 1 ASSI { 1126} (( segid " " and resid 845 and name HA )) (( segid " " and resid 845 and name HB3 )) 2.400 0.700 0.700 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.52153E-02 ppm1 4.014 ppm2 2.045 CV 1 ASSI { 1127} (( segid " " and resid 845 and name HA )) (( segid " " and resid 845 and name HG2 )) 3.000 1.100 1.100 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.17693E-02 ppm1 4.014 ppm2 2.407 CV 1 ASSI { 1129} (( segid " " and resid 845 and name HB3 )) (( segid " " and resid 845 and name HG2 )) 2.900 1.000 1.000 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.19086E-02 ppm1 2.034 ppm2 2.407 CV 1 ASSI { 1131} (( segid " " and resid 845 and name HG2 )) (( segid " " and resid 845 and name HG3 )) 2.000 0.500 0.500 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.84788E-02 ppm1 2.420 ppm2 2.255 CV 1 ASSI { 1132} (( segid " " and resid 892 and name HG2 )) (( segid " " and resid 892 and name HG3 )) 1.900 0.500 0.500 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.10697E-01 ppm1 2.440 ppm2 2.200 CV 1 ASSI { 1134} (( segid " " and resid 892 and name HG2 )) (( segid " " and resid 892 and name HB2 )) 3.000 1.100 1.100 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.21065E-02 ppm1 2.439 ppm2 2.000 CV 1 ASSI { 1137} (( segid " " and resid 851 and name HG2 )) (( segid " " and resid 851 and name HB3 )) 2.100 0.600 0.600 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.15525E-01 ppm1 2.250 ppm2 2.055 CV 1 OR { 1137} (( segid " " and resid 851 and name HG3 )) (( segid " " and resid 851 and name HB3 )) ASSI { 1138} (( segid " " and resid 872 and name HG3 )) (( segid " " and resid 872 and name HB2 )) 1.900 0.500 0.500 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.27477E-01 ppm1 2.263 ppm2 2.018 CV 1 OR { 1138} (( segid " " and resid 872 and name HG2 )) (( segid " " and resid 872 and name HB3 )) OR { 1138} (( segid " " and resid 872 and name HG3 )) (( segid " " and resid 872 and name HB3 )) OR { 1138} (( segid " " and resid 872 and name HG2 )) (( segid " " and resid 872 and name HB2 )) ASSI { 1139} (( segid " " and resid 851 and name HG3 )) (( segid " " and resid 851 and name HB2 )) 2.400 0.700 0.700 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.75133E-02 ppm1 2.224 ppm2 1.997 CV 1 OR { 1139} (( segid " " and resid 851 and name HG2 )) (( segid " " and resid 851 and name HB2 )) ASSI { 1140} (( segid " " and resid 891 and name HB3 )) (( segid " " and resid 891 and name HB2 )) 2.100 0.500 0.500 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.49400E-02 ppm1 2.011 ppm2 1.915 CV 1 ASSI { 1142} (( segid " " and resid 845 and name HA )) ( segid " " and resid 844 and name HB% ) 3.500 1.600 1.600 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.83519E-03 ppm1 4.014 ppm2 1.535 CV 1 ASSI { 1143} (( segid " " and resid 845 and name HG2 )) ( segid " " and resid 844 and name HB% ) 3.800 1.800 1.800 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.55989E-03 ppm1 2.412 ppm2 1.537 CV 1 ASSI { 1144} (( segid " " and resid 846 and name HA2 )) (( segid " " and resid 846 and name H )) 2.900 1.100 1.100 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.38171E-02 ppm1 4.161 ppm2 7.528 CV 1 ASSI { 1146} (( segid " " and resid 846 and name HA2 )) (( segid " " and resid 847 and name H )) 3.500 1.500 1.500 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.10425E-02 ppm1 4.161 ppm2 7.151 CV 1 ASSI { 1149} (( segid " " and resid 846 and name HA3 )) (( segid " " and resid 846 and name H )) 2.400 0.700 0.700 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.45719E-02 ppm1 3.718 ppm2 7.528 CV 1 ASSI { 1152} (( segid " " and resid 846 and name HA3 )) (( segid " " and resid 845 and name H )) 4.800 2.800 1.200 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.52895E-03 ppm1 3.705 ppm2 7.858 CV 1 ASSI { 1153} (( segid " " and resid 846 and name HA3 )) (( segid " " and resid 846 and name HA2 )) 2.000 0.500 0.500 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.10038E-01 ppm1 3.718 ppm2 4.154 CV 1 ASSI { 1157} (( segid " " and resid 850 and name HG )) (( segid " " and resid 850 and name H )) 3.800 1.800 1.800 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.22210E-02 ppm1 1.626 ppm2 8.600 CV 1 ASSI { 1158} (( segid " " and resid 850 and name HA )) (( segid " " and resid 850 and name H )) 2.500 0.800 0.800 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.39285E-02 ppm1 4.056 ppm2 8.599 CV 1 ASSI { 1159} (( segid " " and resid 850 and name HA )) (( segid " " and resid 853 and name H )) 2.800 1.000 1.000 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.20941E-02 ppm1 4.056 ppm2 8.375 CV 1 ASSI { 1160} (( segid " " and resid 850 and name HA )) (( segid " " and resid 851 and name H )) 3.200 1.300 1.300 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.14353E-02 ppm1 4.056 ppm2 8.236 CV 1 ASSI { 1161} (( segid " " and resid 850 and name HB3 )) (( segid " " and resid 850 and name H )) 3.000 1.100 1.100 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.26510E-02 ppm1 1.560 ppm2 8.600 CV 1 ASSI { 1162} (( segid " " and resid 850 and name HB3 )) (( segid " " and resid 851 and name H )) 2.800 1.000 1.000 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.14477E-02 ppm1 1.561 ppm2 8.234 CV 1 ASSI { 1163} (( segid " " and resid 850 and name HB2 )) (( segid " " and resid 850 and name H )) 2.400 0.700 0.700 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.44141E-02 ppm1 1.698 ppm2 8.600 CV 1 ASSI { 1164} (( segid " " and resid 850 and name HB2 )) (( segid " " and resid 851 and name H )) 3.700 1.700 1.700 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.14198E-02 ppm1 1.698 ppm2 8.234 CV 1 ASSI { 1165} ( segid " " and resid 850 and name HD1%) (( segid " " and resid 850 and name H )) 3.600 1.600 1.600 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.23540E-02 ppm1 0.842 ppm2 8.601 CV 1 ASSI { 1166} ( segid " " and resid 850 and name HD1%) (( segid " " and resid 853 and name H )) 3.800 1.800 1.800 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.72694E-03 ppm1 0.843 ppm2 8.377 CV 1 ASSI { 1167} ( segid " " and resid 850 and name HD1%) (( segid " " and resid 851 and name H )) 3.800 1.800 1.800 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.99603E-03 ppm1 0.842 ppm2 8.239 CV 1 ASSI { 1168} ( segid " " and resid 850 and name HD2%) (( segid " " and resid 851 and name H )) 4.400 2.400 1.600 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.94967E-03 ppm1 0.898 ppm2 8.232 CV 1 ASSI { 1169} ( segid " " and resid 850 and name HD1%) (( segid " " and resid 854 and name H )) 3.900 1.900 1.900 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.51967E-03 ppm1 0.841 ppm2 8.046 CV 1 ASSI { 1170} (( segid " " and resid 850 and name HA )) (( segid " " and resid 854 and name H )) 3.500 1.500 1.500 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.84136E-03 ppm1 4.056 ppm2 8.047 CV 1 ASSI { 1171} (( segid " " and resid 911 and name HA )) (( segid " " and resid 911 and name H )) 2.500 0.800 0.800 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.51689E-02 ppm1 4.070 ppm2 7.974 CV 1 ASSI { 1173} (( segid " " and resid 850 and name HB2 )) (( segid " " and resid 850 and name HA )) 2.600 0.900 0.900 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.31489E-02 ppm1 1.699 ppm2 4.056 CV 1 ASSI { 1174} ( segid " " and resid 850 and name HD2%) (( segid " " and resid 850 and name HA )) 2.400 0.700 0.700 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.57783E-02 ppm1 0.898 ppm2 4.054 CV 1 ASSI { 1175} ( segid " " and resid 850 and name HD1%) (( segid " " and resid 850 and name HA )) 2.300 0.700 0.700 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.83548E-02 ppm1 0.842 ppm2 4.054 CV 1 ASSI { 1176} ( segid " " and resid 829 and name HD2%) (( segid " " and resid 829 and name HA )) 2.200 0.600 0.600 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.75074E-02 ppm1 0.891 ppm2 3.819 CV 1 ASSI { 1177} ( segid " " and resid 829 and name HD2%) (( segid " " and resid 809 and name HB )) 3.000 1.100 1.100 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.29139E-02 ppm1 0.891 ppm2 4.210 CV 1 ASSI { 1180} (( segid " " and resid 911 and name HA )) (( segid " " and resid 911 and name HB2 )) 2.600 0.900 0.900 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.52369E-02 ppm1 4.065 ppm2 1.715 CV 1 ASSI { 1181} (( segid " " and resid 911 and name HA )) (( segid " " and resid 911 and name HB3 )) 2.700 0.900 0.900 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.29912E-02 ppm1 4.067 ppm2 1.606 CV 1 ASSI { 1182} (( segid " " and resid 850 and name HA )) (( segid " " and resid 850 and name HB3 )) 2.700 0.900 0.900 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.40708E-02 ppm1 4.057 ppm2 1.562 CV 1 ASSI { 1183} (( segid " " and resid 850 and name HB3 )) (( segid " " and resid 850 and name HB2 )) 1.800 0.400 0.400 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.11723E-01 ppm1 1.560 ppm2 1.697 CV 1 ASSI { 1185} ( segid " " and resid 850 and name HD2%) (( segid " " and resid 854 and name HG3 )) 3.500 1.500 1.500 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.12528E-02 ppm1 0.898 ppm2 1.796 CV 1 ASSI { 1186} ( segid " " and resid 850 and name HD1%) (( segid " " and resid 854 and name HG3 )) 3.600 1.600 1.600 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.43306E-03 ppm1 0.842 ppm2 1.796 CV 1 ASSI { 1187} ( segid " " and resid 850 and name HD2%) (( segid " " and resid 850 and name HB2 )) 2.400 0.700 0.700 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.59331E-02 ppm1 0.898 ppm2 1.698 CV 1 ASSI { 1188} ( segid " " and resid 850 and name HD1%) (( segid " " and resid 850 and name HB2 )) 3.100 1.200 1.200 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.47451E-02 ppm1 0.842 ppm2 1.697 CV 1 ASSI { 1189} ( segid " " and resid 850 and name HD2%) (( segid " " and resid 850 and name HG )) 2.300 0.600 0.600 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.82714E-02 ppm1 0.898 ppm2 1.623 CV 1 ASSI { 1190} ( segid " " and resid 850 and name HD1%) (( segid " " and resid 850 and name HG )) 2.200 0.600 0.600 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.98369E-02 ppm1 0.842 ppm2 1.623 CV 1 ASSI { 1191} ( segid " " and resid 850 and name HD1%) (( segid " " and resid 850 and name HB3 )) 2.300 0.700 0.700 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.71360E-02 ppm1 0.842 ppm2 1.560 CV 1 ASSI { 1192} (( segid " " and resid 784 and name HG3 )) (( segid " " and resid 784 and name HG2 )) 2.000 0.500 0.500 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.73405E-02 ppm1 1.641 ppm2 1.811 CV 1 ASSI { 1193} (( segid " " and resid 889 and name HG2 )) (( segid " " and resid 889 and name HG3 )) 1.900 0.400 0.400 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.87415E-02 ppm1 1.645 ppm2 1.788 CV 1 ASSI { 1196} (( segid " " and resid 850 and name HB3 )) ( segid " " and resid 850 and name HD2%) 3.600 1.600 1.600 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.19519E-02 ppm1 1.561 ppm2 0.899 CV 1 ASSI { 1202} (( segid " " and resid 851 and name HB2 )) (( segid " " and resid 851 and name H )) 2.500 0.800 0.800 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.36098E-02 ppm1 1.995 ppm2 8.236 CV 1 ASSI { 1204} (( segid " " and resid 851 and name HB2 )) (( segid " " and resid 851 and name HA )) 2.900 1.000 1.000 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.32480E-02 ppm1 2.000 ppm2 4.084 CV 1 ASSI { 1205} (( segid " " and resid 895 and name HB3 )) (( segid " " and resid 895 and name HA )) 2.700 0.900 0.900 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.27097E-02 ppm1 2.059 ppm2 4.136 CV 1 ASSI { 1206} (( segid " " and resid 851 and name HB3 )) (( segid " " and resid 851 and name HA )) 2.600 0.900 0.900 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.33098E-02 ppm1 2.057 ppm2 4.086 CV 1 ASSI { 1208} (( segid " " and resid 851 and name HB3 )) (( segid " " and resid 851 and name HB2 )) 1.800 0.400 0.400 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.14811E-01 ppm1 2.060 ppm2 1.998 CV 1 ASSI { 1210} (( segid " " and resid 848 and name HA )) (( segid " " and resid 849 and name H )) 3.000 1.100 1.100 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.20663E-02 ppm1 4.271 ppm2 8.619 CV 1 ASSI { 1211} (( segid " " and resid 848 and name HA )) (( segid " " and resid 848 and name H )) 2.700 0.900 0.900 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.31335E-02 ppm1 4.272 ppm2 8.374 CV 1 ASSI { 1212} (( segid " " and resid 848 and name HB2 )) (( segid " " and resid 849 and name H )) 3.300 1.400 1.400 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.10269E-02 ppm1 3.900 ppm2 8.620 CV 1 ASSI { 1213} (( segid " " and resid 848 and name HB3 )) (( segid " " and resid 849 and name H )) 3.500 1.500 1.500 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.92798E-03 ppm1 3.828 ppm2 8.621 CV 1 ASSI { 1214} (( segid " " and resid 848 and name HB3 )) (( segid " " and resid 848 and name H )) 2.900 1.000 1.000 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.22797E-02 ppm1 3.826 ppm2 8.375 CV 1 ASSI { 1215} (( segid " " and resid 848 and name HB2 )) (( segid " " and resid 848 and name HA )) 2.400 0.700 0.700 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.76279E-02 ppm1 3.899 ppm2 4.273 CV 1 ASSI { 1216} (( segid " " and resid 848 and name HB3 )) (( segid " " and resid 848 and name HA )) 2.400 0.700 0.700 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.75292E-02 ppm1 3.826 ppm2 4.272 CV 1 ASSI { 1217} (( segid " " and resid 848 and name HB3 )) (( segid " " and resid 848 and name HB2 )) 1.700 0.300 0.500 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.25965E-01 ppm1 3.826 ppm2 3.900 CV 1 ASSI { 1221} (( segid " " and resid 848 and name HA )) ( segid " " and resid 850 and name HD1%) 4.300 2.300 1.700 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.42378E-03 ppm1 4.271 ppm2 0.841 CV 1 ASSI { 1222} (( segid " " and resid 849 and name HB2 )) (( segid " " and resid 849 and name H )) 2.500 0.800 0.800 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.27313E-02 ppm1 2.493 ppm2 8.618 CV 1 ASSI { 1224} (( segid " " and resid 849 and name HB2 )) (( segid " " and resid 852 and name H )) 4.100 2.100 1.900 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.50730E-03 ppm1 2.489 ppm2 8.268 CV 1 ASSI { 1225} (( segid " " and resid 849 and name HB2 )) (( segid " " and resid 852 and name HD21)) 3.800 1.800 1.800 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.44543E-03 ppm1 2.488 ppm2 7.965 CV 1 ASSI { 1226} (( segid " " and resid 849 and name HB3 )) (( segid " " and resid 852 and name HD21)) 4.000 2.000 2.000 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.10486E-02 ppm1 2.895 ppm2 7.971 CV 1 ASSI { 1227} (( segid " " and resid 849 and name HB3 )) (( segid " " and resid 853 and name H )) 3.600 1.700 1.700 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.86921E-03 ppm1 2.900 ppm2 8.372 CV 1 ASSI { 1230} (( segid " " and resid 849 and name HB3 )) (( segid " " and resid 849 and name HA )) 3.000 1.100 1.100 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.13208E-02 ppm1 2.892 ppm2 4.693 CV 1 ASSI { 1231} (( segid " " and resid 849 and name HB2 )) (( segid " " and resid 849 and name HA )) 3.300 1.400 1.400 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.12435E-02 ppm1 2.490 ppm2 4.688 CV 1 ASSI { 1232} (( segid " " and resid 869 and name HE2 )) (( segid " " and resid 893 and name HA )) 3.400 1.400 1.400 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.86921E-03 ppm1 2.893 ppm2 4.154 CV 1 OR { 1232} (( segid " " and resid 869 and name HE3 )) (( segid " " and resid 893 and name HA )) ASSI { 1234} (( segid " " and resid 869 and name HE3 )) (( segid " " and resid 869 and name HA )) 3.700 1.800 1.800 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.10146E-02 ppm1 2.896 ppm2 4.026 CV 1 ASSI { 1235} (( segid " " and resid 849 and name HB2 )) (( segid " " and resid 849 and name HB3 )) 2.000 0.500 0.500 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.67617E-02 ppm1 2.493 ppm2 2.889 CV 1 ASSI { 1238} (( segid " " and resid 869 and name HE2 )) (( segid " " and resid 869 and name HD2 )) 2.500 0.800 0.800 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.44667E-02 ppm1 2.892 ppm2 1.694 CV 1 OR { 1238} (( segid " " and resid 869 and name HE3 )) (( segid " " and resid 869 and name HD3 )) OR { 1238} (( segid " " and resid 869 and name HE2 )) (( segid " " and resid 869 and name HD3 )) OR { 1238} (( segid " " and resid 869 and name HE3 )) (( segid " " and resid 869 and name HD2 )) ASSI { 1239} (( segid " " and resid 847 and name HA )) (( segid " " and resid 849 and name H )) 3.800 1.800 1.800 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.14910E-02 ppm1 4.263 ppm2 8.620 CV 1 ASSI { 1240} (( segid " " and resid 847 and name HA )) (( segid " " and resid 848 and name H )) 2.100 0.600 0.600 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.10467E-01 ppm1 4.259 ppm2 8.375 CV 1 ASSI { 1242} (( segid " " and resid 847 and name HB3 )) (( segid " " and resid 849 and name H )) 4.300 2.300 1.700 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.68669E-03 ppm1 1.996 ppm2 8.620 CV 1 ASSI { 1243} (( segid " " and resid 891 and name HB2 )) (( segid " " and resid 892 and name H )) 2.800 1.000 1.000 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.14755E-02 ppm1 1.916 ppm2 8.443 CV 1 ASSI { 1244} (( segid " " and resid 824 and name HB3 )) (( segid " " and resid 825 and name H )) 2.900 1.100 1.100 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.14662E-02 ppm1 1.874 ppm2 8.431 CV 1 OR { 1244} (( segid " " and resid 824 and name HB2 )) (( segid " " and resid 825 and name H )) ASSI { 1245} (( segid " " and resid 847 and name HB2 )) (( segid " " and resid 848 and name H )) 4.200 2.200 1.800 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.85682E-03 ppm1 2.090 ppm2 8.374 CV 1 ASSI { 1247} (( segid " " and resid 847 and name HG3 )) (( segid " " and resid 849 and name H )) 2.700 0.900 0.900 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.13580E-02 ppm1 2.249 ppm2 8.620 CV 1 ASSI { 1248} (( segid " " and resid 847 and name HG2 )) (( segid " " and resid 849 and name H )) 4.400 2.400 1.600 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.10332E-02 ppm1 2.211 ppm2 8.619 CV 1 ASSI { 1249} (( segid " " and resid 847 and name HG3 )) (( segid " " and resid 848 and name H )) 3.200 1.300 1.300 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.10734E-02 ppm1 2.247 ppm2 8.374 CV 1 ASSI { 1251} (( segid " " and resid 847 and name HG3 )) (( segid " " and resid 852 and name HD21)) 3.800 1.900 1.900 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.50730E-03 ppm1 2.248 ppm2 7.972 CV 1 ASSI { 1252} (( segid " " and resid 847 and name HG2 )) (( segid " " and resid 852 and name HD21)) 3.400 1.400 1.400 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.47018E-03 ppm1 2.201 ppm2 7.966 CV 1 ASSI { 1253} (( segid " " and resid 910 and name HA )) (( segid " " and resid 911 and name H )) 2.000 0.500 0.500 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.15370E-01 ppm1 4.254 ppm2 7.974 CV 1 ASSI { 1254} (( segid " " and resid 847 and name HA )) (( segid " " and resid 847 and name H )) 2.700 0.900 0.900 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.30840E-02 ppm1 4.262 ppm2 7.151 CV 1 ASSI { 1255} (( segid " " and resid 847 and name HB2 )) (( segid " " and resid 847 and name H )) 2.700 0.900 0.900 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.23354E-02 ppm1 2.087 ppm2 7.151 CV 1 ASSI { 1256} (( segid " " and resid 847 and name HB3 )) (( segid " " and resid 847 and name H )) 2.700 0.900 0.900 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.25210E-02 ppm1 2.000 ppm2 7.150 CV 1 ASSI { 1258} (( segid " " and resid 847 and name HG2 )) (( segid " " and resid 847 and name H )) 4.200 2.200 1.800 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.11940E-02 ppm1 2.204 ppm2 7.151 CV 1 ASSI { 1262} (( segid " " and resid 847 and name HG2 )) (( segid " " and resid 847 and name HA )) 3.700 1.700 1.700 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.11105E-02 ppm1 2.202 ppm2 4.263 CV 1 ASSI { 1263} (( segid " " and resid 847 and name HG3 )) (( segid " " and resid 853 and name HA )) 4.300 2.300 1.700 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.61863E-03 ppm1 2.249 ppm2 4.028 CV 1 ASSI { 1265} (( segid " " and resid 847 and name HG2 )) (( segid " " and resid 844 and name HA )) 3.600 1.700 1.700 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.11074E-02 ppm1 2.202 ppm2 3.911 CV 1 ASSI { 1266} (( segid " " and resid 847 and name HB3 )) (( segid " " and resid 853 and name HA )) 3.300 1.300 1.300 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.94967E-03 ppm1 1.996 ppm2 4.030 CV 1 ASSI { 1269} (( segid " " and resid 847 and name HB3 )) (( segid " " and resid 844 and name HA )) 3.400 1.500 1.500 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.10672E-02 ppm1 2.001 ppm2 3.906 CV 1 ASSI { 1271} (( segid " " and resid 847 and name HG3 )) (( segid " " and resid 852 and name HB2 )) 4.700 2.800 1.300 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.71454E-03 ppm1 2.248 ppm2 2.828 CV 1 ASSI { 1272} (( segid " " and resid 847 and name HG2 )) (( segid " " and resid 852 and name HB2 )) 4.500 2.500 1.500 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.65266E-03 ppm1 2.204 ppm2 2.829 CV 1 ASSI { 1273} (( segid " " and resid 847 and name HG3 )) (( segid " " and resid 852 and name HB3 )) 3.500 1.500 1.500 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.81350E-03 ppm1 2.241 ppm2 2.638 CV 1 ASSI { 1276} (( segid " " and resid 847 and name HA )) (( segid " " and resid 847 and name HG3 )) 3.100 1.200 1.200 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.15962E-02 ppm1 4.261 ppm2 2.242 CV 1 ASSI { 1277} (( segid " " and resid 847 and name HA )) (( segid " " and resid 847 and name HB2 )) 2.700 0.900 0.900 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.23262E-02 ppm1 4.261 ppm2 2.088 CV 1 ASSI { 1278} (( segid " " and resid 847 and name HA )) (( segid " " and resid 847 and name HB3 )) 3.000 1.100 1.100 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.26540E-02 ppm1 4.262 ppm2 2.000 CV 1 ASSI { 1279} (( segid " " and resid 847 and name HB2 )) (( segid " " and resid 847 and name HB3 )) 2.000 0.500 0.500 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.54256E-02 ppm1 2.089 ppm2 1.999 CV 1 ASSI { 1281} (( segid " " and resid 847 and name HB2 )) (( segid " " and resid 847 and name HG3 )) 3.100 1.200 1.200 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.23447E-02 ppm1 2.089 ppm2 2.241 CV 1 ASSI { 1282} (( segid " " and resid 847 and name HB3 )) (( segid " " and resid 847 and name HG3 )) 2.600 0.900 0.900 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.23571E-02 ppm1 1.998 ppm2 2.234 CV 1 ASSI { 1283} (( segid " " and resid 847 and name HB2 )) (( segid " " and resid 847 and name HG2 )) 2.700 0.900 0.900 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.22643E-02 ppm1 2.090 ppm2 2.217 CV 1 ASSI { 1287} (( segid " " and resid 847 and name HG3 )) (( segid " " and resid 847 and name HG2 )) 1.800 0.400 0.400 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.85717E-02 ppm1 2.246 ppm2 2.203 CV 1 ASSI { 1290} (( segid " " and resid 847 and name HB3 )) ( segid " " and resid 856 and name HD1%) 4.200 2.200 1.800 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.63103E-03 ppm1 1.999 ppm2 0.828 CV 1 ASSI { 1291} (( segid " " and resid 847 and name HG3 )) ( segid " " and resid 856 and name HD1%) 3.800 1.800 1.800 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.14941E-02 ppm1 2.250 ppm2 0.826 CV 1 ASSI { 1293} (( segid " " and resid 845 and name HB2 )) (( segid " " and resid 845 and name HG2 )) 3.100 1.200 1.200 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.26231E-02 ppm1 2.076 ppm2 2.421 CV 1 ASSI { 1294} (( segid " " and resid 836 and name HA )) (( segid " " and resid 837 and name H )) 3.500 1.500 1.500 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.67435E-03 ppm1 4.244 ppm2 9.047 CV 1 ASSI { 1295} (( segid " " and resid 857 and name HB3 )) ( segid " " and resid 857 and name HD2%) 2.500 0.800 0.800 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.45966E-02 ppm1 1.384 ppm2 0.793 CV 1 OR { 1295} (( segid " " and resid 857 and name HB3 )) ( segid " " and resid 857 and name HD1%) ASSI { 1298} (( segid " " and resid 836 and name HA )) (( segid " " and resid 836 and name HG )) 3.300 1.400 1.400 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.81662E-03 ppm1 4.242 ppm2 1.234 CV 1 ASSI { 1299} (( segid " " and resid 836 and name HB3 )) (( segid " " and resid 836 and name HG )) 3.300 1.400 1.400 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.11260E-02 ppm1 1.385 ppm2 1.235 CV 1 ASSI { 1300} (( segid " " and resid 836 and name HB2 )) (( segid " " and resid 836 and name HB3 )) 2.300 0.600 0.600 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.21746E-02 ppm1 1.902 ppm2 1.388 CV 1 ASSI { 1301} (( segid " " and resid 836 and name HB2 )) (( segid " " and resid 836 and name HG )) 3.000 1.100 1.100 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.93415E-03 ppm1 1.900 ppm2 1.233 CV 1 ASSI { 1303} (( segid " " and resid 857 and name HB3 )) (( segid " " and resid 857 and name HB2 )) 2.000 0.500 0.500 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.52215E-02 ppm1 1.384 ppm2 1.798 CV 1 ASSI { 1306} ( segid " " and resid 836 and name HD1%) (( segid " " and resid 836 and name HB2 )) 2.500 0.800 0.800 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.30376E-02 ppm1 0.653 ppm2 1.904 CV 1 ASSI { 1307} ( segid " " and resid 836 and name HD1%) ( segid " " and resid 801 and name HB% ) 2.800 1.000 1.000 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.32325E-02 ppm1 0.653 ppm2 1.536 CV 1 ASSI { 1308} ( segid " " and resid 836 and name HD1%) (( segid " " and resid 836 and name HB3 )) 2.600 0.900 0.900 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.38078E-02 ppm1 0.653 ppm2 1.387 CV 1 ASSI { 1309} ( segid " " and resid 836 and name HD1%) (( segid " " and resid 836 and name HG )) 2.300 0.700 0.700 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.56545E-02 ppm1 0.653 ppm2 1.235 CV 1 ASSI { 1311} ( segid " " and resid 836 and name HD1%) ( segid " " and resid 901 and name HG2%) 3.000 1.100 1.100 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.17756E-02 ppm1 0.653 ppm2 1.091 CV 1 ASSI { 1312} ( segid " " and resid 836 and name HD2%) (( segid " " and resid 836 and name HB2 )) 3.300 1.400 1.400 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.25705E-02 ppm1 0.691 ppm2 1.903 CV 1 ASSI { 1315} ( segid " " and resid 836 and name HD2%) (( segid " " and resid 836 and name HB3 )) 2.300 0.600 0.600 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.58837E-02 ppm1 0.691 ppm2 1.383 CV 1 ASSI { 1316} ( segid " " and resid 836 and name HD2%) (( segid " " and resid 836 and name HG )) 2.300 0.700 0.700 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.55586E-02 ppm1 0.691 ppm2 1.234 CV 1 ASSI { 1318} ( segid " " and resid 836 and name HD2%) ( segid " " and resid 901 and name HG2%) 4.600 2.600 1.400 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.34645E-03 ppm1 0.687 ppm2 1.088 CV 1 ASSI { 1322} ( segid " " and resid 836 and name HD2%) (( segid " " and resid 798 and name HB3 )) 2.700 0.900 0.900 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.17725E-02 ppm1 0.691 ppm2 2.735 CV 1 ASSI { 1323} ( segid " " and resid 836 and name HD2%) (( segid " " and resid 798 and name HB2 )) 3.600 1.600 1.600 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.27221E-02 ppm1 0.691 ppm2 3.342 CV 1 ASSI { 1324} ( segid " " and resid 836 and name HD1%) (( segid " " and resid 798 and name HB2 )) 4.600 2.600 1.400 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.53514E-03 ppm1 0.654 ppm2 3.343 CV 1 ASSI { 1325} ( segid " " and resid 836 and name HD1%) (( segid " " and resid 833 and name HA )) 3.600 1.600 1.600 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.89396E-03 ppm1 0.653 ppm2 3.849 CV 1 ASSI { 1326} ( segid " " and resid 836 and name HD1%) (( segid " " and resid 802 and name HA )) 3.300 1.300 1.300 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.89084E-03 ppm1 0.654 ppm2 3.725 CV 1 ASSI { 1328} ( segid " " and resid 836 and name HD2%) (( segid " " and resid 840 and name HA )) 4.000 2.000 2.000 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.74545E-03 ppm1 0.690 ppm2 3.728 CV 1 ASSI { 1329} ( segid " " and resid 836 and name HD2%) (( segid " " and resid 836 and name HA )) 2.200 0.600 0.600 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.76561E-02 ppm1 0.691 ppm2 4.248 CV 1 ASSI { 1330} ( segid " " and resid 836 and name HD2%) (( segid " " and resid 905 and name HA )) 4.000 2.000 2.000 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.82902E-03 ppm1 0.692 ppm2 4.170 CV 1 ASSI { 1331} ( segid " " and resid 836 and name HD1%) (( segid " " and resid 836 and name HA )) 3.900 1.900 1.900 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.13239E-02 ppm1 0.653 ppm2 4.248 CV 1 ASSI { 1332} (( segid " " and resid 836 and name HB2 )) (( segid " " and resid 836 and name HA )) 3.400 1.400 1.400 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.85682E-03 ppm1 1.899 ppm2 4.248 CV 1 ASSI { 1335} (( segid " " and resid 857 and name HB3 )) (( segid " " and resid 857 and name HA )) 2.700 0.900 0.900 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.19890E-02 ppm1 1.384 ppm2 3.878 CV 1 ASSI { 1337} ( segid " " and resid 836 and name HD2%) (( segid " " and resid 801 and name H )) 4.100 2.100 1.900 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.73928E-03 ppm1 0.691 ppm2 8.238 CV 1 ASSI { 1338} ( segid " " and resid 836 and name HD2%) (( segid " " and resid 838 and name H )) 4.600 2.600 1.400 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.43615E-03 ppm1 0.690 ppm2 8.112 CV 1 ASSI { 1339} ( segid " " and resid 836 and name HD2%) (( segid " " and resid 839 and name H )) 4.000 2.000 2.000 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.92487E-03 ppm1 0.690 ppm2 7.799 CV 1 ASSI { 1340} ( segid " " and resid 836 and name HD2%) (( segid " " and resid 836 and name H )) 3.700 1.700 1.700 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.17663E-02 ppm1 0.692 ppm2 7.594 CV 1 ASSI { 1341} ( segid " " and resid 836 and name HD2%) ( segid " " and resid 798 and name HD% ) 2.500 0.800 0.800 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.47451E-02 ppm1 0.691 ppm2 6.925 CV 1 ASSI { 1342} ( segid " " and resid 836 and name HD2%) ( segid " " and resid 798 and name HE% ) 3.300 1.300 1.300 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.17075E-02 ppm1 0.691 ppm2 6.537 CV 1 ASSI { 1343} ( segid " " and resid 836 and name HD1%) (( segid " " and resid 836 and name H )) 3.800 1.800 1.800 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.11786E-02 ppm1 0.653 ppm2 7.595 CV 1 ASSI { 1344} ( segid " " and resid 836 and name HD1%) ( segid " " and resid 798 and name HD% ) 4.200 2.200 1.800 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.51967E-03 ppm1 0.651 ppm2 6.925 CV 1 ASSI { 1345} (( segid " " and resid 836 and name HB2 )) (( segid " " and resid 836 and name H )) 2.700 0.900 0.900 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.14291E-02 ppm1 1.902 ppm2 7.596 CV 1 ASSI { 1347} (( segid " " and resid 836 and name HA )) ( segid " " and resid 798 and name HD% ) 4.500 2.600 1.500 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.30623E-03 ppm1 4.237 ppm2 6.927 CV 1 ASSI { 1348} ( segid " " and resid 836 and name HD2%) (( segid " " and resid 802 and name H )) 3.900 1.900 1.900 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.48255E-03 ppm1 0.691 ppm2 8.420 CV 1 ASSI { 1349} ( segid " " and resid 836 and name HD2%) (( segid " " and resid 798 and name H )) 3.300 3.300 2.700 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.44234E-03 ppm1 0.693 ppm2 8.367 CV 1 ASSI { 1350} ( segid " " and resid 836 and name HD2%) (( segid " " and resid 840 and name H )) 3.500 1.600 1.600 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.14012E-02 ppm1 0.691 ppm2 8.561 CV 1 ASSI { 1351} ( segid " " and resid 836 and name HD2%) (( segid " " and resid 837 and name H )) 4.200 2.200 1.800 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.79805E-03 ppm1 0.689 ppm2 9.046 CV 1 ASSI { 1352} ( segid " " and resid 836 and name HD1%) (( segid " " and resid 837 and name H )) 4.300 2.300 1.700 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.68052E-03 ppm1 0.654 ppm2 9.047 CV 1 ASSI { 1355} (( segid " " and resid 857 and name HB3 )) (( segid " " and resid 857 and name H )) 3.600 1.600 1.600 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.19147E-02 ppm1 1.383 ppm2 8.257 CV 1 ASSI { 1356} ( segid " " and resid 836 and name HD1%) (( segid " " and resid 802 and name H )) 3.700 1.700 1.700 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.55679E-03 ppm1 0.653 ppm2 8.419 CV 1 ASSI { 1357} ( segid " " and resid 836 and name HD1%) (( segid " " and resid 801 and name H )) 4.700 2.700 1.300 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.37119E-03 ppm1 0.654 ppm2 8.236 CV 1 ASSI { 1358} (( segid " " and resid 835 and name HB2 )) (( segid " " and resid 835 and name H )) 2.700 0.900 0.900 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.29108E-02 ppm1 2.781 ppm2 8.118 CV 1 ASSI { 1359} (( segid " " and resid 835 and name HB2 )) (( segid " " and resid 836 and name H )) 3.800 1.800 1.800 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.13580E-02 ppm1 2.780 ppm2 7.595 CV 1 ASSI { 1360} (( segid " " and resid 835 and name HB2 )) (( segid " " and resid 835 and name HA )) 2.900 1.100 1.100 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.17199E-02 ppm1 2.780 ppm2 4.391 CV 1 ASSI { 1365} (( segid " " and resid 834 and name HB3 )) (( segid " " and resid 838 and name HD21)) 3.500 1.500 1.500 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.75168E-03 ppm1 3.953 ppm2 7.594 CV 1 ASSI { 1368} (( segid " " and resid 834 and name HB3 )) (( segid " " and resid 837 and name HB )) 3.500 1.500 1.500 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.12775E-02 ppm1 3.951 ppm2 2.189 CV 1 ASSI { 1370} (( segid " " and resid 834 and name HB2 )) ( segid " " and resid 833 and name HG2%) 4.100 2.100 1.900 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.69597E-03 ppm1 3.950 ppm2 1.105 CV 1 OR { 1370} (( segid " " and resid 834 and name HB3 )) ( segid " " and resid 833 and name HG2%) ASSI { 1371} (( segid " " and resid 834 and name HA )) ( segid " " and resid 833 and name HG2%) 3.700 1.700 1.700 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.45162E-03 ppm1 4.006 ppm2 1.109 CV 1 ASSI { 1372} (( segid " " and resid 834 and name HB3 )) ( segid " " and resid 837 and name HG2%) 4.000 2.000 2.000 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.95584E-03 ppm1 3.952 ppm2 0.993 CV 1 OR { 1372} (( segid " " and resid 834 and name HB2 )) ( segid " " and resid 837 and name HG2%) ASSI { 1374} (( segid " " and resid 858 and name HB3 )) ( segid " " and resid 862 and name HD1%) 3.500 1.500 1.500 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.83830E-03 ppm1 3.947 ppm2 0.771 CV 1 OR { 1374} (( segid " " and resid 858 and name HB2 )) ( segid " " and resid 862 and name HD1%) ASSI { 1375} (( segid " " and resid 834 and name HA )) ( segid " " and resid 837 and name HG1%) 4.200 2.200 1.800 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.69292E-03 ppm1 4.004 ppm2 0.849 CV 1 ASSI { 1376} (( segid " " and resid 833 and name HA )) (( segid " " and resid 834 and name H )) 3.600 1.600 1.600 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.59084E-03 ppm1 3.846 ppm2 8.007 CV 1 ASSI { 1380} ( segid " " and resid 833 and name HG2%) (( segid " " and resid 867 and name H )) 3.200 1.300 1.300 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.18065E-02 ppm1 1.104 ppm2 8.477 CV 1 ASSI { 1381} ( segid " " and resid 833 and name HG2%) (( segid " " and resid 866 and name H )) 3.900 1.900 1.900 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.67740E-03 ppm1 1.105 ppm2 8.364 CV 1 ASSI { 1382} ( segid " " and resid 833 and name HG2%) (( segid " " and resid 835 and name H )) 3.900 1.900 1.900 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.55370E-03 ppm1 1.104 ppm2 8.115 CV 1 ASSI { 1383} ( segid " " and resid 833 and name HG2%) (( segid " " and resid 834 and name H )) 3.100 1.200 1.200 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.18962E-02 ppm1 1.104 ppm2 8.010 CV 1 ASSI { 1384} ( segid " " and resid 833 and name HG2%) (( segid " " and resid 833 and name H )) 3.100 1.200 1.200 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.41728E-02 ppm1 1.104 ppm2 8.711 CV 1 ASSI { 1385} ( segid " " and resid 901 and name HG2%) (( segid " " and resid 805 and name H )) 4.600 2.600 1.400 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.64032E-03 ppm1 1.104 ppm2 7.885 CV 1 ASSI { 1386} ( segid " " and resid 833 and name HG2%) (( segid " " and resid 836 and name H )) 3.700 1.700 1.700 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.78259E-03 ppm1 1.104 ppm2 7.592 CV 1 ASSI { 1388} (( segid " " and resid 833 and name HA )) (( segid " " and resid 832 and name HA )) 3.300 1.400 1.400 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.13023E-02 ppm1 3.845 ppm2 4.210 CV 1 ASSI { 1389} (( segid " " and resid 833 and name HA )) (( segid " " and resid 833 and name HB )) 2.900 1.000 1.000 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.21158E-02 ppm1 3.845 ppm2 4.050 CV 1 ASSI { 1391} ( segid " " and resid 833 and name HG2%) (( segid " " and resid 833 and name HB )) 2.100 0.600 0.600 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.83454E-02 ppm1 1.104 ppm2 4.050 CV 1 ASSI { 1392} ( segid " " and resid 833 and name HG2%) (( segid " " and resid 864 and name HA )) 2.400 0.700 0.700 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.51070E-02 ppm1 1.104 ppm2 3.925 CV 1 ASSI { 1393} ( segid " " and resid 833 and name HG2%) (( segid " " and resid 833 and name HA )) 2.200 0.600 0.600 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.69415E-02 ppm1 1.104 ppm2 3.850 CV 1 ASSI { 1394} ( segid " " and resid 833 and name HG2%) (( segid " " and resid 867 and name HB )) 2.800 1.000 1.000 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.28397E-02 ppm1 1.104 ppm2 4.280 CV 1 ASSI { 1395} (( segid " " and resid 833 and name HA )) (( segid " " and resid 836 and name HB2 )) 2.900 1.100 1.100 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.11105E-02 ppm1 3.846 ppm2 1.902 CV 1 ASSI { 1396} ( segid " " and resid 833 and name HG2%) (( segid " " and resid 836 and name HB2 )) 3.400 1.400 1.400 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.87539E-03 ppm1 1.104 ppm2 1.903 CV 1 ASSI { 1397} (( segid " " and resid 833 and name HA )) (( segid " " and resid 836 and name HB3 )) 4.000 2.000 2.000 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.10084E-02 ppm1 3.847 ppm2 1.400 CV 1 ASSI { 1398} (( segid " " and resid 833 and name HB )) ( segid " " and resid 830 and name HB% ) 4.300 2.300 1.700 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.55679E-03 ppm1 4.057 ppm2 1.386 CV 1 ASSI { 1399} ( segid " " and resid 833 and name HG2%) ( segid " " and resid 864 and name HB% ) 3.500 1.500 1.500 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.23478E-02 ppm1 1.104 ppm2 1.486 CV 1 ASSI { 1400} ( segid " " and resid 833 and name HG2%) (( segid " " and resid 863 and name HG )) 2.200 0.600 0.600 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.48163E-02 ppm1 1.104 ppm2 1.371 CV 1 ASSI { 1404} ( segid " " and resid 833 and name HG2%) ( segid " " and resid 837 and name HG2%) 2.400 0.700 0.700 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.52555E-02 ppm1 1.104 ppm2 0.997 CV 1 ASSI { 1405} ( segid " " and resid 901 and name HG2%) ( segid " " and resid 806 and name HD2%) 2.700 0.900 0.900 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.37367E-02 ppm1 1.086 ppm2 0.863 CV 1 ASSI { 1408} ( segid " " and resid 901 and name HG2%) ( segid " " and resid 805 and name HD1%) 2.100 0.600 0.600 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.12315E-01 ppm1 1.086 ppm2 0.719 CV 1 OR { 1408} ( segid " " and resid 901 and name HG2%) ( segid " " and resid 805 and name HG2%) ASSI { 1409} ( segid " " and resid 833 and name HG2%) ( segid " " and resid 863 and name HD1%) 2.200 0.600 0.600 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.95025E-02 ppm1 1.104 ppm2 0.706 CV 1 ASSI { 1410} ( segid " " and resid 832 and name HB% ) (( segid " " and resid 833 and name H )) 2.400 0.700 0.700 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.54411E-02 ppm1 1.429 ppm2 8.712 CV 1 ASSI { 1411} (( segid " " and resid 832 and name HA )) (( segid " " and resid 832 and name H )) 2.600 0.900 0.900 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.39192E-02 ppm1 4.199 ppm2 8.366 CV 1 ASSI { 1413} ( segid " " and resid 832 and name HB% ) (( segid " " and resid 832 and name H )) 2.100 0.600 0.600 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.11578E-01 ppm1 1.429 ppm2 8.366 CV 1 ASSI { 1414} (( segid " " and resid 832 and name HA )) (( segid " " and resid 835 and name H )) 3.100 1.200 1.200 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.14105E-02 ppm1 4.198 ppm2 8.118 CV 1 ASSI { 1416} ( segid " " and resid 903 and name HB% ) (( segid " " and resid 902 and name H )) 4.000 2.000 2.000 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.10858E-02 ppm1 1.418 ppm2 7.966 CV 1 ASSI { 1417} ( segid " " and resid 903 and name HB% ) (( segid " " and resid 903 and name H )) 2.100 0.500 0.500 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.16413E-01 ppm1 1.419 ppm2 7.898 CV 1 ASSI { 1418} ( segid " " and resid 826 and name HB% ) (( segid " " and resid 827 and name H )) 2.400 0.700 0.700 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.49585E-02 ppm1 1.421 ppm2 7.867 CV 1 ASSI { 1420} ( segid " " and resid 903 and name HB% ) (( segid " " and resid 904 and name H )) 2.300 0.700 0.700 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.72318E-02 ppm1 1.418 ppm2 7.724 CV 1 ASSI { 1422} (( segid " " and resid 832 and name HA )) (( segid " " and resid 836 and name H )) 3.900 1.900 1.900 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.62486E-03 ppm1 4.198 ppm2 7.592 CV 1 ASSI { 1423} ( segid " " and resid 826 and name HB% ) (( segid " " and resid 828 and name H )) 3.600 1.600 1.600 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.10672E-02 ppm1 1.424 ppm2 7.585 CV 1 ASSI { 1424} ( segid " " and resid 832 and name HB% ) (( segid " " and resid 832 and name HA )) 2.100 0.500 0.500 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.14050E-01 ppm1 1.429 ppm2 4.200 CV 1 ASSI { 1425} ( segid " " and resid 832 and name HB% ) (( segid " " and resid 804 and name HB )) 3.100 1.200 1.200 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.13332E-02 ppm1 1.428 ppm2 4.328 CV 1 ASSI { 1426} ( segid " " and resid 903 and name HB% ) (( segid " " and resid 903 and name HA )) 1.900 0.500 0.500 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.23948E-01 ppm1 1.419 ppm2 4.075 CV 1 ASSI { 1428} ( segid " " and resid 903 and name HB% ) (( segid " " and resid 904 and name HA )) 3.500 1.500 1.500 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.13827E-02 ppm1 1.417 ppm2 3.927 CV 1 ASSI { 1429} ( segid " " and resid 826 and name HB% ) (( segid " " and resid 826 and name HA )) 2.100 0.600 0.600 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.10372E-01 ppm1 1.421 ppm2 3.879 CV 1 ASSI { 1430} ( segid " " and resid 832 and name HB% ) (( segid " " and resid 829 and name HA )) 2.400 0.700 0.700 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.47606E-02 ppm1 1.428 ppm2 3.824 CV 1 ASSI { 1431} ( segid " " and resid 826 and name HB% ) (( segid " " and resid 823 and name HA )) 2.300 0.700 0.700 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.68392E-02 ppm1 1.421 ppm2 3.468 CV 1 ASSI { 1432} ( segid " " and resid 826 and name HB% ) (( segid " " and resid 871 and name HA )) 2.700 0.900 0.900 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.29881E-02 ppm1 1.420 ppm2 3.372 CV 1 ASSI { 1433} ( segid " " and resid 832 and name HB% ) (( segid " " and resid 805 and name HA )) 3.400 1.400 1.400 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.13517E-02 ppm1 1.429 ppm2 3.292 CV 1 ASSI { 1434} (( segid " " and resid 832 and name HA )) (( segid " " and resid 835 and name HB2 )) 3.000 1.100 1.100 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.18498E-02 ppm1 4.198 ppm2 2.779 CV 1 ASSI { 1435} (( segid " " and resid 832 and name HA )) (( segid " " and resid 835 and name HB3 )) 3.300 1.300 1.300 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.11662E-02 ppm1 4.197 ppm2 2.607 CV 1 ASSI { 1436} ( segid " " and resid 903 and name HB% ) (( segid " " and resid 902 and name HB2 )) 2.900 2.900 3.100 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.87850E-03 ppm1 1.419 ppm2 2.799 CV 1 ASSI { 1437} ( segid " " and resid 893 and name HB% ) (( segid " " and resid 870 and name HG2 )) 4.000 2.000 2.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.89396E-03 ppm1 1.409 ppm2 2.588 CV 1 ASSI { 1439} (( segid " " and resid 832 and name HA )) (( segid " " and resid 831 and name HB3 )) 3.600 1.700 1.700 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.62175E-03 ppm1 4.200 ppm2 2.136 CV 1 ASSI { 1440} ( segid " " and resid 832 and name HB% ) (( segid " " and resid 831 and name HG3 )) 3.900 1.900 1.900 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.86921E-03 ppm1 1.429 ppm2 2.323 CV 1 OR { 1440} ( segid " " and resid 832 and name HB% ) (( segid " " and resid 831 and name HG2 )) ASSI { 1441} ( segid " " and resid 893 and name HB% ) (( segid " " and resid 870 and name HG3 )) 3.400 1.500 1.500 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.25705E-02 ppm1 1.423 ppm2 2.123 CV 1 ASSI { 1442} ( segid " " and resid 826 and name HB% ) (( segid " " and resid 829 and name HB2 )) 3.100 1.200 1.200 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.22828E-02 ppm1 1.420 ppm2 2.031 CV 1 ASSI { 1445} ( segid " " and resid 893 and name HB% ) (( segid " " and resid 869 and name HB3 )) 2.700 0.900 0.900 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.24375E-02 ppm1 1.409 ppm2 1.845 CV 1 ASSI { 1446} ( segid " " and resid 826 and name HB% ) (( segid " " and resid 827 and name HG3 )) 3.400 1.400 1.400 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.80428E-03 ppm1 1.419 ppm2 1.772 CV 1 ASSI { 1448} ( segid " " and resid 832 and name HB% ) (( segid " " and resid 805 and name HG13)) 2.700 0.900 0.900 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.24375E-02 ppm1 1.429 ppm2 1.694 CV 1 ASSI { 1449} (( segid " " and resid 839 and name HA )) ( segid " " and resid 842 and name HB% ) 2.500 0.800 0.800 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.54256E-02 ppm1 4.166 ppm2 1.452 CV 1 ASSI { 1453} ( segid " " and resid 826 and name HB% ) ( segid " " and resid 871 and name HG2%) 2.500 0.800 0.800 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.53421E-02 ppm1 1.423 ppm2 0.999 CV 1 ASSI { 1454} ( segid " " and resid 826 and name HB% ) ( segid " " and resid 823 and name HG2%) 3.700 1.700 1.700 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.13023E-02 ppm1 1.420 ppm2 0.944 CV 1 ASSI { 1455} ( segid " " and resid 903 and name HB% ) ( segid " " and resid 862 and name HG2%) 2.600 2.600 3.400 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.20138E-02 ppm1 1.418 ppm2 0.910 CV 1 ASSI { 1457} ( segid " " and resid 903 and name HB% ) ( segid " " and resid 862 and name HD1%) 2.600 2.600 3.400 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.19859E-02 ppm1 1.418 ppm2 0.766 CV 1 ASSI { 1458} ( segid " " and resid 832 and name HB% ) ( segid " " and resid 805 and name HD1%) 2.700 0.900 0.900 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.46492E-02 ppm1 1.428 ppm2 0.714 CV 1 ASSI { 1459} ( segid " " and resid 893 and name HB% ) ( segid " " and resid 890 and name HD1%) 2.900 1.000 1.000 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.28180E-02 ppm1 1.410 ppm2 0.692 CV 1 ASSI { 1460} ( segid " " and resid 826 and name HB% ) ( segid " " and resid 812 and name HD1%) 2.900 1.100 1.100 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.35728E-02 ppm1 1.421 ppm2 0.638 CV 1 ASSI { 1461} ( segid " " and resid 826 and name HB% ) ( segid " " and resid 812 and name HG2%) 3.600 1.600 1.600 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.11754E-02 ppm1 1.420 ppm2 0.502 CV 1 ASSI { 1463} (( segid " " and resid 831 and name HB2 )) (( segid " " and resid 831 and name HE21)) 3.700 1.800 1.800 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.65889E-03 ppm1 2.134 ppm2 7.584 CV 1 OR { 1463} (( segid " " and resid 831 and name HB3 )) (( segid " " and resid 831 and name HE21)) ASSI { 1464} (( segid " " and resid 831 and name HB3 )) (( segid " " and resid 832 and name H )) 2.500 0.800 0.800 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.31242E-02 ppm1 2.134 ppm2 8.366 CV 1 ASSI { 1465} (( segid " " and resid 831 and name HG2 )) (( segid " " and resid 831 and name H )) 3.300 1.300 1.300 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.46152E-02 ppm1 2.323 ppm2 7.690 CV 1 ASSI { 1466} (( segid " " and resid 831 and name HG2 )) (( segid " " and resid 831 and name HE21)) 2.300 0.600 0.600 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.76402E-02 ppm1 2.323 ppm2 7.583 CV 1 OR { 1466} (( segid " " and resid 831 and name HG3 )) (( segid " " and resid 831 and name HE21)) ASSI { 1467} (( segid " " and resid 831 and name HG3 )) (( segid " " and resid 832 and name H )) 3.300 1.300 1.300 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.22334E-02 ppm1 2.323 ppm2 8.366 CV 1 OR { 1467} (( segid " " and resid 831 and name HG2 )) (( segid " " and resid 832 and name H )) ASSI { 1468} (( segid " " and resid 831 and name HG2 )) (( segid " " and resid 831 and name HE22)) 3.400 1.400 1.400 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.32047E-02 ppm1 2.323 ppm2 6.744 CV 1 OR { 1468} (( segid " " and resid 831 and name HG3 )) (( segid " " and resid 831 and name HE22)) ASSI { 1471} (( segid " " and resid 831 and name HG3 )) (( segid " " and resid 828 and name HA )) 3.700 1.700 1.700 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.13858E-02 ppm1 2.323 ppm2 3.632 CV 1 OR { 1471} (( segid " " and resid 831 and name HG2 )) (( segid " " and resid 828 and name HA )) ASSI { 1472} (( segid " " and resid 831 and name HG2 )) (( segid " " and resid 831 and name HA )) 2.500 0.800 0.800 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.59454E-02 ppm1 2.323 ppm2 3.945 CV 1 OR { 1472} (( segid " " and resid 831 and name HG3 )) (( segid " " and resid 831 and name HA )) ASSI { 1473} (( segid " " and resid 831 and name HG3 )) (( segid " " and resid 832 and name HA )) 3.400 1.400 1.400 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.10641E-02 ppm1 2.321 ppm2 4.201 CV 1 OR { 1473} (( segid " " and resid 831 and name HG2 )) (( segid " " and resid 832 and name HA )) ASSI { 1475} (( segid " " and resid 831 and name HG3 )) (( segid " " and resid 831 and name HB3 )) 1.800 0.400 0.400 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.32473E-01 ppm1 2.323 ppm2 2.136 CV 1 OR { 1475} (( segid " " and resid 831 and name HG2 )) (( segid " " and resid 831 and name HB2 )) OR { 1475} (( segid " " and resid 831 and name HG3 )) (( segid " " and resid 831 and name HB2 )) OR { 1475} (( segid " " and resid 831 and name HG2 )) (( segid " " and resid 831 and name HB3 )) ASSI { 1477} (( segid " " and resid 831 and name HB3 )) ( segid " " and resid 828 and name HG2%) 3.600 1.600 1.600 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.70837E-03 ppm1 2.136 ppm2 0.843 CV 1 OR { 1477} (( segid " " and resid 831 and name HB2 )) ( segid " " and resid 828 and name HG2%) ASSI { 1478} (( segid " " and resid 831 and name HG3 )) ( segid " " and resid 828 and name HG2%) 4.000 2.000 2.000 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.59084E-03 ppm1 2.323 ppm2 0.845 CV 1 OR { 1478} (( segid " " and resid 831 and name HG2 )) ( segid " " and resid 828 and name HG2%) ASSI { 1480} (( segid " " and resid 826 and name HA )) (( segid " " and resid 826 and name H )) 2.700 0.900 0.900 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.27809E-02 ppm1 3.879 ppm2 8.204 CV 1 ASSI { 1481} (( segid " " and resid 830 and name HA )) (( segid " " and resid 830 and name H )) 2.600 0.800 0.800 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.36222E-02 ppm1 3.869 ppm2 8.178 CV 1 ASSI { 1482} ( segid " " and resid 830 and name HB% ) (( segid " " and resid 830 and name H )) 2.100 0.600 0.600 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.13517E-01 ppm1 1.389 ppm2 8.177 CV 1 ASSI { 1483} ( segid " " and resid 830 and name HB% ) (( segid " " and resid 831 and name H )) 2.400 0.700 0.700 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.68116E-02 ppm1 1.389 ppm2 7.690 CV 1 ASSI { 1484} (( segid " " and resid 830 and name HA )) (( segid " " and resid 833 and name H )) 3.100 1.200 1.200 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.12590E-02 ppm1 3.867 ppm2 8.712 CV 1 ASSI { 1485} (( segid " " and resid 826 and name HA )) (( segid " " and resid 829 and name H )) 3.000 1.100 1.100 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.17075E-02 ppm1 3.880 ppm2 8.602 CV 1 ASSI { 1486} ( segid " " and resid 830 and name HB% ) (( segid " " and resid 833 and name H )) 4.000 2.000 2.000 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.70526E-03 ppm1 1.389 ppm2 8.710 CV 1 ASSI { 1487} ( segid " " and resid 893 and name HB% ) (( segid " " and resid 894 and name H )) 2.500 0.800 0.800 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.50049E-02 ppm1 1.408 ppm2 8.618 CV 1 ASSI { 1488} (( segid " " and resid 830 and name HA )) (( segid " " and resid 833 and name HB )) 2.900 1.100 1.100 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.14848E-02 ppm1 3.866 ppm2 4.049 CV 1 ASSI { 1489} ( segid " " and resid 893 and name HB% ) (( segid " " and resid 893 and name HA )) 2.000 0.500 0.500 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.16255E-01 ppm1 1.408 ppm2 4.159 CV 1 ASSI { 1490} ( segid " " and resid 830 and name HB% ) (( segid " " and resid 827 and name HA )) 2.400 0.700 0.700 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.66876E-02 ppm1 1.390 ppm2 4.001 CV 1 ASSI { 1492} ( segid " " and resid 830 and name HB% ) (( segid " " and resid 830 and name HA )) 2.000 0.500 0.500 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.13932E-01 ppm1 1.389 ppm2 3.868 CV 1 ASSI { 1493} (( segid " " and resid 844 and name HA )) (( segid " " and resid 847 and name HB2 )) 2.900 1.000 1.000 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.12806E-02 ppm1 3.896 ppm2 2.085 CV 1 ASSI { 1494} (( segid " " and resid 826 and name HA )) (( segid " " and resid 829 and name HB2 )) 2.600 0.900 0.900 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.26076E-02 ppm1 3.880 ppm2 2.030 CV 1 ASSI { 1498} ( segid " " and resid 830 and name HB% ) (( segid " " and resid 829 and name HB2 )) 3.700 1.700 1.700 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.10053E-02 ppm1 1.389 ppm2 2.034 CV 1 ASSI { 1499} ( segid " " and resid 893 and name HB% ) ( segid " " and resid 870 and name HE% ) 3.200 1.300 1.300 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.28458E-02 ppm1 1.390 ppm2 1.948 CV 1 ASSI { 1504} (( segid " " and resid 830 and name HA )) ( segid " " and resid 867 and name HG2%) 2.300 0.600 0.600 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.59854E-02 ppm1 3.867 ppm2 1.109 CV 1 ASSI { 1507} ( segid " " and resid 830 and name HB% ) ( segid " " and resid 871 and name HG1%) 3.000 1.100 1.100 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.28582E-02 ppm1 1.389 ppm2 0.846 CV 1 ASSI { 1508} (( segid " " and resid 860 and name HA )) ( segid " " and resid 837 and name HG1%) 3.400 1.500 1.500 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.14167E-02 ppm1 3.843 ppm2 0.848 CV 1 ASSI { 1512} (( segid " " and resid 828 and name HA )) (( segid " " and resid 831 and name H )) 3.100 1.200 1.200 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.12497E-02 ppm1 3.632 ppm2 7.690 CV 1 ASSI { 1513} (( segid " " and resid 828 and name HA )) (( segid " " and resid 828 and name H )) 2.700 0.900 0.900 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.28458E-02 ppm1 3.632 ppm2 7.582 CV 1 ASSI { 1514} ( segid " " and resid 828 and name HD1%) (( segid " " and resid 828 and name H )) 3.400 1.500 1.500 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.34211E-02 ppm1 0.720 ppm2 7.582 CV 1 ASSI { 1515} ( segid " " and resid 828 and name HD1%) (( segid " " and resid 825 and name HE22)) 3.100 1.200 1.200 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.12280E-02 ppm1 0.719 ppm2 7.381 CV 1 ASSI { 1517} (( segid " " and resid 828 and name HG13)) (( segid " " and resid 828 and name H )) 2.500 0.800 0.800 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.20663E-02 ppm1 1.709 ppm2 7.581 CV 1 ASSI { 1518} ( segid " " and resid 828 and name HG2%) (( segid " " and resid 831 and name H )) 4.000 2.000 2.000 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.55370E-03 ppm1 0.844 ppm2 7.693 CV 1 ASSI { 1519} ( segid " " and resid 828 and name HG2%) (( segid " " and resid 828 and name H )) 3.400 1.500 1.500 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.32665E-02 ppm1 0.843 ppm2 7.581 CV 1 ASSI { 1520} (( segid " " and resid 828 and name HA )) (( segid " " and resid 827 and name H )) 4.700 2.800 1.300 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.34645E-03 ppm1 3.636 ppm2 7.872 CV 1 ASSI { 1521} ( segid " " and resid 828 and name HD1%) (( segid " " and resid 827 and name H )) 3.100 3.100 2.900 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.71454E-03 ppm1 0.721 ppm2 7.868 CV 1 ASSI { 1522} (( segid " " and resid 828 and name HA )) (( segid " " and resid 829 and name H )) 3.400 1.400 1.400 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.90324E-03 ppm1 3.632 ppm2 8.602 CV 1 ASSI { 1523} (( segid " " and resid 828 and name HA )) (( segid " " and resid 832 and name H )) 3.700 1.700 1.700 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.60012E-03 ppm1 3.631 ppm2 8.368 CV 1 ASSI { 1524} ( segid " " and resid 828 and name HG2%) (( segid " " and resid 832 and name H )) 3.500 1.500 1.500 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.79188E-03 ppm1 0.843 ppm2 8.367 CV 1 ASSI { 1525} ( segid " " and resid 828 and name HG2%) (( segid " " and resid 829 and name H )) 3.100 1.200 1.200 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.25025E-02 ppm1 0.843 ppm2 8.602 CV 1 ASSI { 1526} ( segid " " and resid 828 and name HD1%) (( segid " " and resid 829 and name H )) 2.900 2.900 3.100 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.10517E-02 ppm1 0.720 ppm2 8.602 CV 1 ASSI { 1527} ( segid " " and resid 828 and name HD1%) (( segid " " and resid 825 and name H )) 3.000 1.200 1.200 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.72071E-03 ppm1 0.719 ppm2 8.430 CV 1 ASSI { 1528} ( segid " " and resid 828 and name HD1%) (( segid " " and resid 825 and name HE21)) 3.300 1.300 1.300 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.18498E-02 ppm1 0.720 ppm2 6.263 CV 1 ASSI { 1529} ( segid " " and resid 828 and name HD1%) (( segid " " and resid 828 and name HA )) 3.600 1.600 1.600 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.27623E-02 ppm1 0.720 ppm2 3.632 CV 1 ASSI { 1530} ( segid " " and resid 828 and name HD1%) (( segid " " and resid 825 and name HA )) 2.300 0.700 0.700 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.53607E-02 ppm1 0.720 ppm2 3.906 CV 1 ASSI { 1533} ( segid " " and resid 828 and name HG2%) (( segid " " and resid 825 and name HA )) 4.100 2.100 1.900 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.19426E-02 ppm1 0.843 ppm2 3.905 CV 1 ASSI { 1534} ( segid " " and resid 828 and name HG2%) (( segid " " and resid 829 and name HA )) 3.200 1.200 1.200 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.12559E-02 ppm1 0.843 ppm2 3.819 CV 1 ASSI { 1535} ( segid " " and resid 828 and name HG2%) (( segid " " and resid 828 and name HA )) 2.400 0.700 0.700 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.70126E-02 ppm1 0.843 ppm2 3.633 CV 1 ASSI { 1537} (( segid " " and resid 828 and name HA )) (( segid " " and resid 831 and name HB3 )) 2.600 0.900 0.900 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.27252E-02 ppm1 3.631 ppm2 2.135 CV 1 ASSI { 1538} (( segid " " and resid 828 and name HA )) (( segid " " and resid 828 and name HB )) 3.000 1.100 1.100 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.16765E-02 ppm1 3.632 ppm2 1.966 CV 1 ASSI { 1539} (( segid " " and resid 828 and name HA )) (( segid " " and resid 828 and name HG13)) 2.900 1.100 1.100 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.24839E-02 ppm1 3.631 ppm2 1.710 CV 1 ASSI { 1540} (( segid " " and resid 828 and name HA )) ( segid " " and resid 832 and name HB% ) 4.200 2.200 1.800 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.38357E-03 ppm1 3.635 ppm2 1.428 CV 1 ASSI { 1542} ( segid " " and resid 828 and name HD1%) (( segid " " and resid 828 and name HB )) 2.400 0.700 0.700 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.62915E-02 ppm1 0.719 ppm2 1.966 CV 1 ASSI { 1543} (( segid " " and resid 828 and name HG12)) (( segid " " and resid 828 and name HB )) 3.500 1.600 1.600 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.92487E-03 ppm1 0.961 ppm2 1.964 CV 1 ASSI { 1544} (( segid " " and resid 828 and name HG12)) (( segid " " and resid 828 and name HG13)) 2.100 0.500 0.500 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.43461E-02 ppm1 0.962 ppm2 1.710 CV 1 ASSI { 1546} ( segid " " and resid 828 and name HG2%) (( segid " " and resid 828 and name HG13)) 3.200 1.300 1.300 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.38202E-02 ppm1 0.843 ppm2 1.710 CV 1 ASSI { 1547} ( segid " " and resid 828 and name HG2%) (( segid " " and resid 828 and name HB )) 2.100 0.600 0.600 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.99974E-02 ppm1 0.843 ppm2 1.966 CV 1 ASSI { 1548} ( segid " " and resid 828 and name HG2%) (( segid " " and resid 831 and name HB3 )) 3.200 1.200 1.200 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.12280E-02 ppm1 0.842 ppm2 2.132 CV 1 ASSI { 1549} (( segid " " and resid 828 and name HA )) (( segid " " and resid 828 and name HG12)) 2.600 0.900 0.900 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.28489E-02 ppm1 3.631 ppm2 0.963 CV 1 ASSI { 1552} ( segid " " and resid 828 and name HD1%) (( segid " " and resid 828 and name HG12)) 2.200 0.600 0.600 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.94967E-02 ppm1 0.719 ppm2 0.961 CV 1 ASSI { 1553} ( segid " " and resid 828 and name HD1%) ( segid " " and resid 828 and name HG2%) 2.100 0.500 0.500 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.14334E-01 ppm1 0.719 ppm2 0.844 CV 1 ASSI { 1554} ( segid " " and resid 828 and name HD1%) (( segid " " and resid 824 and name HG3 )) 2.900 1.100 1.100 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.23911E-02 ppm1 0.720 ppm2 1.291 CV 1 ASSI { 1557} (( segid " " and resid 869 and name HD3 )) (( segid " " and resid 869 and name HG2 )) 2.700 0.900 0.900 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.31335E-02 ppm1 1.694 ppm2 1.369 CV 1 OR { 1557} (( segid " " and resid 869 and name HD2 )) (( segid " " and resid 869 and name HG2 )) ASSI { 1560} (( segid " " and resid 828 and name HG13)) ( segid " " and resid 828 and name HD1%) 2.600 0.800 0.800 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.31026E-02 ppm1 1.711 ppm2 0.720 CV 1 ASSI { 1561} ( segid " " and resid 828 and name HG2%) ( segid " " and resid 804 and name HG2%) 2.900 1.100 1.100 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.22334E-02 ppm1 0.843 ppm2 1.090 CV 1 ASSI { 1562} ( segid " " and resid 828 and name HG2%) ( segid " " and resid 808 and name HG1%) 2.200 0.600 0.600 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.13849E-01 ppm1 0.843 ppm2 1.000 CV 1 OR { 1562} ( segid " " and resid 828 and name HG2%) ( segid " " and resid 808 and name HG2%) ASSI { 1564} (( segid " " and resid 827 and name HD2 )) (( segid " " and resid 827 and name H )) 3.800 1.800 1.800 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.14291E-02 ppm1 3.098 ppm2 7.869 CV 1 OR { 1564} (( segid " " and resid 827 and name HD3 )) (( segid " " and resid 827 and name H )) ASSI { 1565} (( segid " " and resid 827 and name HG2 )) (( segid " " and resid 827 and name H )) 4.200 2.200 1.800 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.85064E-03 ppm1 1.531 ppm2 7.869 CV 1 ASSI { 1566} (( segid " " and resid 827 and name HD3 )) (( segid " " and resid 827 and name HE )) 3.300 1.300 1.300 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.94967E-03 ppm1 3.112 ppm2 7.330 CV 1 OR { 1566} (( segid " " and resid 827 and name HD2 )) (( segid " " and resid 827 and name HE )) ASSI { 1569} (( segid " " and resid 884 and name HB2 )) (( segid " " and resid 885 and name H )) 3.300 1.400 1.400 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.12930E-02 ppm1 2.020 ppm2 8.505 CV 1 ASSI { 1573} (( segid " " and resid 891 and name HG2 )) (( segid " " and resid 892 and name H )) 4.900 3.000 1.100 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.40832E-03 ppm1 1.530 ppm2 8.442 CV 1 ASSI { 1574} (( segid " " and resid 827 and name HG3 )) (( segid " " and resid 827 and name H )) 2.500 0.800 0.800 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.23262E-02 ppm1 1.771 ppm2 7.869 CV 1 ASSI { 1575} (( segid " " and resid 827 and name HG3 )) (( segid " " and resid 828 and name H )) 4.300 2.400 1.700 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.47018E-03 ppm1 1.772 ppm2 7.582 CV 1 ASSI { 1576} (( segid " " and resid 827 and name HD3 )) (( segid " " and resid 828 and name H )) 3.200 3.200 2.800 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.52276E-03 ppm1 3.098 ppm2 7.581 CV 1 ASSI { 1578} (( segid " " and resid 827 and name HB2 )) (( segid " " and resid 828 and name H )) 3.000 1.100 1.100 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.13332E-02 ppm1 1.911 ppm2 7.580 CV 1 OR { 1578} (( segid " " and resid 827 and name HB3 )) (( segid " " and resid 828 and name H )) ASSI { 1579} (( segid " " and resid 869 and name HA )) (( segid " " and resid 869 and name H )) 2.600 0.800 0.800 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.42842E-02 ppm1 4.025 ppm2 7.574 CV 1 ASSI { 1580} (( segid " " and resid 855 and name HA )) (( segid " " and resid 855 and name H )) 2.500 0.800 0.800 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.43615E-02 ppm1 3.985 ppm2 7.894 CV 1 ASSI { 1581} (( segid " " and resid 827 and name HA )) (( segid " " and resid 827 and name H )) 2.500 0.800 0.800 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.48441E-02 ppm1 3.999 ppm2 7.870 CV 1 ASSI { 1582} (( segid " " and resid 855 and name HA )) (( segid " " and resid 859 and name H )) 3.700 1.700 1.700 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.60012E-03 ppm1 3.983 ppm2 7.784 CV 1 ASSI { 1584} (( segid " " and resid 869 and name HA )) (( segid " " and resid 870 and name H )) 3.200 1.300 1.300 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.12590E-02 ppm1 4.024 ppm2 7.722 CV 1 ASSI { 1585} (( segid " " and resid 861 and name HA )) (( segid " " and resid 861 and name H )) 2.600 0.800 0.800 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 3.980 ppm2 7.704 CV 1 ASSI { 1587} (( segid " " and resid 872 and name HA )) (( segid " " and resid 873 and name H )) 3.300 1.400 1.400 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.11723E-02 ppm1 3.953 ppm2 8.133 CV 1 ASSI { 1588} (( segid " " and resid 892 and name HA )) (( segid " " and resid 895 and name H )) 3.100 1.200 1.200 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.18188E-02 ppm1 4.018 ppm2 8.056 CV 1 ASSI { 1590} (( segid " " and resid 861 and name HA )) (( segid " " and resid 862 and name H )) 3.200 1.300 1.300 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.14012E-02 ppm1 3.979 ppm2 7.999 CV 1 ASSI { 1591} (( segid " " and resid 855 and name HA )) (( segid " " and resid 856 and name H )) 3.300 1.400 1.400 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.10455E-02 ppm1 3.985 ppm2 7.969 CV 1 ASSI { 1592} (( segid " " and resid 869 and name HA )) (( segid " " and resid 868 and name H )) 4.600 2.600 1.400 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.39285E-03 ppm1 4.028 ppm2 7.963 CV 1 ASSI { 1593} (( segid " " and resid 872 and name HA )) (( segid " " and resid 875 and name H )) 3.200 1.200 1.200 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.13827E-02 ppm1 3.953 ppm2 7.965 CV 1 ASSI { 1594} (( segid " " and resid 855 and name HA )) (( segid " " and resid 858 and name H )) 3.000 1.200 1.200 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.15745E-02 ppm1 3.984 ppm2 8.237 CV 1 ASSI { 1595} (( segid " " and resid 827 and name HA )) (( segid " " and resid 830 and name H )) 3.000 1.100 1.100 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.15992E-02 ppm1 4.000 ppm2 8.177 CV 1 ASSI { 1598} (( segid " " and resid 854 and name HD2 )) (( segid " " and resid 854 and name H )) 3.500 1.500 1.500 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.20168E-02 ppm1 3.117 ppm2 8.048 CV 1 OR { 1598} (( segid " " and resid 854 and name HD3 )) (( segid " " and resid 854 and name H )) ASSI { 1599} (( segid " " and resid 824 and name HD3 )) (( segid " " and resid 824 and name HE )) 3.200 1.300 1.300 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.11290E-02 ppm1 3.066 ppm2 8.024 CV 1 ASSI { 1600} (( segid " " and resid 891 and name HG2 )) (( segid " " and resid 891 and name H )) 3.900 1.900 1.900 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.94655E-03 ppm1 1.531 ppm2 8.072 CV 1 ASSI { 1602} (( segid " " and resid 891 and name HD2 )) (( segid " " and resid 891 and name HE )) 3.100 1.200 1.200 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.11816E-02 ppm1 3.169 ppm2 7.232 CV 1 ASSI { 1603} (( segid " " and resid 891 and name HD3 )) (( segid " " and resid 891 and name HE )) 3.100 1.200 1.200 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.12744E-02 ppm1 3.081 ppm2 7.231 CV 1 ASSI { 1604} (( segid " " and resid 891 and name HG2 )) ( segid " " and resid 813 and name HD% ) 4.400 2.400 1.600 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.30623E-03 ppm1 1.528 ppm2 7.330 CV 1 ASSI { 1605} (( segid " " and resid 891 and name HG2 )) (( segid " " and resid 891 and name HE )) 3.900 1.900 1.900 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.23818E-03 ppm1 1.534 ppm2 7.237 CV 1 ASSI { 1606} (( segid " " and resid 891 and name HG2 )) ( segid " " and resid 813 and name HE% ) 3.200 1.300 1.300 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.54751E-03 ppm1 1.532 ppm2 7.122 CV 1 ASSI { 1607} (( segid " " and resid 891 and name HG2 )) (( segid " " and resid 813 and name HZ )) 4.600 2.700 1.400 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.39594E-03 ppm1 1.532 ppm2 7.023 CV 1 ASSI { 1609} (( segid " " and resid 889 and name HD2 )) (( segid " " and resid 886 and name HA )) 3.000 1.100 1.100 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.17570E-02 ppm1 3.134 ppm2 3.991 CV 1 OR { 1609} (( segid " " and resid 889 and name HD3 )) (( segid " " and resid 886 and name HA )) ASSI { 1610} (( segid " " and resid 827 and name HD2 )) (( segid " " and resid 827 and name HA )) 3.800 1.800 1.800 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.18158E-02 ppm1 3.094 ppm2 3.994 CV 1 OR { 1610} (( segid " " and resid 827 and name HD3 )) (( segid " " and resid 827 and name HA )) ASSI { 1611} (( segid " " and resid 891 and name HD2 )) (( segid " " and resid 891 and name HA )) 3.900 1.900 1.900 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.13487E-02 ppm1 3.165 ppm2 3.976 CV 1 ASSI { 1612} (( segid " " and resid 827 and name HG2 )) (( segid " " and resid 827 and name HA )) 2.600 0.900 0.900 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.26695E-02 ppm1 1.534 ppm2 3.996 CV 1 ASSI { 1613} (( segid " " and resid 891 and name HG2 )) (( segid " " and resid 891 and name HA )) 2.600 0.800 0.800 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.25798E-02 ppm1 1.532 ppm2 3.981 CV 1 ASSI { 1614} (( segid " " and resid 827 and name HG3 )) (( segid " " and resid 827 and name HA )) 3.100 1.200 1.200 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.19828E-02 ppm1 1.772 ppm2 3.999 CV 1 ASSI { 1623} (( segid " " and resid 827 and name HG2 )) (( segid " " and resid 827 and name HD3 )) 2.600 0.800 0.800 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.40739E-02 ppm1 1.538 ppm2 3.099 CV 1 OR { 1623} (( segid " " and resid 827 and name HG2 )) (( segid " " and resid 827 and name HD2 )) ASSI { 1624} (( segid " " and resid 891 and name HG3 )) (( segid " " and resid 891 and name HD2 )) 2.900 1.100 1.100 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.12590E-02 ppm1 1.798 ppm2 3.169 CV 1 ASSI { 1625} (( segid " " and resid 898 and name HG3 )) (( segid " " and resid 898 and name HD2 )) 2.700 0.900 0.900 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.24746E-02 ppm1 1.736 ppm2 3.123 CV 1 OR { 1625} (( segid " " and resid 898 and name HG3 )) (( segid " " and resid 898 and name HD3 )) ASSI { 1628} (( segid " " and resid 889 and name HA )) (( segid " " and resid 889 and name HB3 )) 2.600 0.800 0.800 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.29510E-02 ppm1 4.047 ppm2 1.961 CV 1 ASSI { 1631} (( segid " " and resid 872 and name HA )) (( segid " " and resid 875 and name HB2 )) 2.600 0.800 0.800 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.27066E-02 ppm1 3.954 ppm2 1.815 CV 1 ASSI { 1633} (( segid " " and resid 889 and name HA )) (( segid " " and resid 889 and name HG3 )) 3.200 1.300 1.300 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.18807E-02 ppm1 4.048 ppm2 1.783 CV 1 ASSI { 1634} (( segid " " and resid 891 and name HD2 )) (( segid " " and resid 891 and name HB2 )) 3.200 1.200 1.200 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.15528E-02 ppm1 3.167 ppm2 1.916 CV 1 ASSI { 1636} (( segid " " and resid 824 and name HD3 )) (( segid " " and resid 824 and name HB2 )) 2.800 1.000 1.000 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.29510E-02 ppm1 3.071 ppm2 1.892 CV 1 OR { 1636} (( segid " " and resid 824 and name HD3 )) (( segid " " and resid 824 and name HB3 )) ASSI { 1639} (( segid " " and resid 827 and name HD3 )) (( segid " " and resid 827 and name HG3 )) 2.100 0.600 0.600 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.95243E-02 ppm1 3.106 ppm2 1.777 CV 1 OR { 1639} (( segid " " and resid 827 and name HD2 )) (( segid " " and resid 827 and name HG3 )) ASSI { 1640} (( segid " " and resid 827 and name HG2 )) (( segid " " and resid 827 and name HB2 )) 2.900 1.100 1.100 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.36500E-02 ppm1 1.535 ppm2 1.910 CV 1 ASSI { 1641} (( segid " " and resid 854 and name HG2 )) (( segid " " and resid 854 and name HB3 )) 2.700 0.900 0.900 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.21220E-02 ppm1 1.564 ppm2 1.892 CV 1 ASSI { 1642} (( segid " " and resid 891 and name HG2 )) (( segid " " and resid 891 and name HG3 )) 1.800 0.400 0.400 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.83149E-02 ppm1 1.532 ppm2 1.794 CV 1 ASSI { 1643} (( segid " " and resid 854 and name HG2 )) (( segid " " and resid 854 and name HG3 )) 1.900 0.400 0.400 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.81480E-02 ppm1 1.568 ppm2 1.791 CV 1 ASSI { 1644} (( segid " " and resid 827 and name HG2 )) (( segid " " and resid 827 and name HG3 )) 1.800 0.400 0.400 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.90324E-02 ppm1 1.535 ppm2 1.773 CV 1 ASSI { 1645} (( segid " " and resid 827 and name HG3 )) (( segid " " and resid 827 and name HB2 )) 2.200 0.600 0.600 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.68980E-02 ppm1 1.774 ppm2 1.912 CV 1 ASSI { 1650} (( segid " " and resid 889 and name HD2 )) (( segid " " and resid 889 and name HG2 )) 2.500 0.800 0.800 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.47730E-02 ppm1 3.133 ppm2 1.647 CV 1 OR { 1650} (( segid " " and resid 889 and name HD3 )) (( segid " " and resid 889 and name HG2 )) ASSI { 1651} (( segid " " and resid 824 and name HD3 )) (( segid " " and resid 824 and name HG2 )) 2.800 1.000 1.000 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.23354E-02 ppm1 3.066 ppm2 1.650 CV 1 ASSI { 1652} (( segid " " and resid 854 and name HD3 )) (( segid " " and resid 854 and name HG2 )) 2.300 0.700 0.700 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.82684E-02 ppm1 3.113 ppm2 1.566 CV 1 OR { 1652} (( segid " " and resid 854 and name HD2 )) (( segid " " and resid 854 and name HG2 )) ASSI { 1655} (( segid " " and resid 891 and name HD2 )) (( segid " " and resid 891 and name HG2 )) 2.600 0.900 0.900 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.31923E-02 ppm1 3.168 ppm2 1.532 CV 1 ASSI { 1658} (( segid " " and resid 861 and name HA )) (( segid " " and resid 861 and name HD2 )) 3.700 1.700 1.700 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.10610E-02 ppm1 3.978 ppm2 1.669 CV 1 ASSI { 1659} (( segid " " and resid 889 and name HA )) (( segid " " and resid 889 and name HG2 )) 2.800 1.000 1.000 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.21343E-02 ppm1 4.047 ppm2 1.647 CV 1 ASSI { 1660} (( segid " " and resid 855 and name HA )) (( segid " " and resid 855 and name HG2 )) 3.000 1.100 1.100 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.16518E-02 ppm1 3.984 ppm2 1.636 CV 1 ASSI { 1661} (( segid " " and resid 872 and name HA )) (( segid " " and resid 875 and name HD2 )) 2.900 1.000 1.000 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.23663E-02 ppm1 3.954 ppm2 1.583 CV 1 OR { 1661} (( segid " " and resid 872 and name HA )) (( segid " " and resid 875 and name HD3 )) ASSI { 1662} (( segid " " and resid 869 and name HA )) (( segid " " and resid 869 and name HG3 )) 3.100 1.200 1.200 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.19395E-02 ppm1 4.023 ppm2 1.551 CV 1 ASSI { 1664} (( segid " " and resid 869 and name HA )) ( segid " " and resid 868 and name HB% ) 3.700 1.700 1.700 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.86304E-03 ppm1 4.023 ppm2 1.487 CV 1 ASSI { 1665} (( segid " " and resid 861 and name HA )) ( segid " " and resid 864 and name HB% ) 2.500 0.800 0.800 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.46585E-02 ppm1 3.979 ppm2 1.484 CV 1 ASSI { 1666} (( segid " " and resid 898 and name HD3 )) (( segid " " and resid 898 and name HG2 )) 2.600 0.800 0.800 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.39315E-02 ppm1 3.124 ppm2 1.455 CV 1 OR { 1666} (( segid " " and resid 898 and name HD2 )) (( segid " " and resid 898 and name HG2 )) ASSI { 1669} (( segid " " and resid 827 and name HB2 )) ( segid " " and resid 823 and name HG1%) 4.400 2.400 1.600 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.51039E-03 ppm1 1.918 ppm2 0.845 CV 1 ASSI { 1671} (( segid " " and resid 827 and name HD3 )) ( segid " " and resid 823 and name HG1%) 2.800 1.000 1.000 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.26138E-02 ppm1 3.100 ppm2 0.846 CV 1 OR { 1671} (( segid " " and resid 827 and name HD2 )) ( segid " " and resid 823 and name HG1%) ASSI { 1672} (( segid " " and resid 827 and name HG2 )) ( segid " " and resid 823 and name HG1%) 4.000 2.000 2.000 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.59084E-03 ppm1 1.532 ppm2 0.846 CV 1 ASSI { 1674} ( segid " " and resid 826 and name HB% ) ( segid " " and resid 874 and name HB% ) 2.400 0.700 0.700 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.56205E-02 ppm1 1.419 ppm2 1.317 CV 1 ASSI { 1675} ( segid " " and resid 893 and name HB% ) (( segid " " and resid 893 and name H )) 2.100 0.600 0.600 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.11588E-01 ppm1 1.408 ppm2 8.432 CV 1 ASSI { 1676} ( segid " " and resid 826 and name HB% ) (( segid " " and resid 826 and name H )) 2.200 0.600 0.600 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.99450E-02 ppm1 1.420 ppm2 8.214 CV 1 ASSI { 1677} (( segid " " and resid 825 and name HB3 )) (( segid " " and resid 826 and name H )) 4.300 2.300 1.700 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.49802E-03 ppm1 1.823 ppm2 8.216 CV 1 ASSI { 1680} (( segid " " and resid 863 and name HA )) (( segid " " and resid 864 and name H )) 3.500 1.500 1.500 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.81350E-03 ppm1 3.899 ppm2 8.506 CV 1 ASSI { 1681} (( segid " " and resid 825 and name HA )) (( segid " " and resid 825 and name H )) 2.700 0.900 0.900 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.21406E-02 ppm1 3.905 ppm2 8.433 CV 1 ASSI { 1683} (( segid " " and resid 797 and name HA )) (( segid " " and resid 798 and name H )) 2.900 1.100 1.100 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.25086E-02 ppm1 3.861 ppm2 8.368 CV 1 ASSI { 1684} (( segid " " and resid 857 and name HA )) (( segid " " and resid 857 and name H )) 2.500 0.800 0.800 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.42595E-02 ppm1 3.875 ppm2 8.258 CV 1 ASSI { 1688} (( segid " " and resid 891 and name HG3 )) (( segid " " and resid 892 and name H )) 4.000 2.000 2.000 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.92181E-03 ppm1 1.805 ppm2 8.435 CV 1 ASSI { 1689} (( segid " " and resid 825 and name HG2 )) (( segid " " and resid 825 and name H )) 2.700 0.900 0.900 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.15281E-02 ppm1 2.552 ppm2 8.431 CV 1 ASSI { 1690} (( segid " " and resid 825 and name HG3 )) (( segid " " and resid 825 and name H )) 4.100 2.100 1.900 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.14075E-02 ppm1 2.010 ppm2 8.431 CV 1 ASSI { 1691} (( segid " " and resid 863 and name HA )) (( segid " " and resid 863 and name H )) 2.700 0.900 0.900 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.28551E-02 ppm1 3.904 ppm2 7.883 CV 1 ASSI { 1692} (( segid " " and resid 825 and name HA )) (( segid " " and resid 828 and name H )) 3.100 1.200 1.200 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.14043E-02 ppm1 3.905 ppm2 7.581 CV 1 ASSI { 1693} (( segid " " and resid 825 and name HA )) (( segid " " and resid 825 and name HE22)) 4.200 2.200 1.800 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.32480E-03 ppm1 3.900 ppm2 7.380 CV 1 ASSI { 1694} (( segid " " and resid 825 and name HG2 )) (( segid " " and resid 825 and name HE22)) 3.800 1.800 1.800 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.11569E-02 ppm1 2.548 ppm2 7.381 CV 1 ASSI { 1695} (( segid " " and resid 825 and name HG3 )) (( segid " " and resid 825 and name HE22)) 3.800 1.800 1.800 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.11074E-02 ppm1 2.008 ppm2 7.380 CV 1 ASSI { 1696} (( segid " " and resid 825 and name HA )) (( segid " " and resid 825 and name HE21)) 3.900 1.900 1.900 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.32789E-03 ppm1 3.906 ppm2 6.263 CV 1 ASSI { 1697} (( segid " " and resid 825 and name HG2 )) (( segid " " and resid 825 and name HE21)) 3.400 1.400 1.400 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.87233E-03 ppm1 2.550 ppm2 6.261 CV 1 ASSI { 1698} (( segid " " and resid 825 and name HG3 )) (( segid " " and resid 825 and name HE21)) 3.200 1.300 1.300 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.73928E-03 ppm1 2.000 ppm2 6.261 CV 1 ASSI { 1700} (( segid " " and resid 825 and name HG3 )) (( segid " " and resid 825 and name HA )) 4.000 2.000 2.000 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.72383E-03 ppm1 2.011 ppm2 3.906 CV 1 ASSI { 1701} (( segid " " and resid 825 and name HG3 )) (( segid " " and resid 811 and name HB2 )) 3.700 1.700 1.700 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.45162E-03 ppm1 2.011 ppm2 3.110 CV 1 ASSI { 1702} (( segid " " and resid 825 and name HG3 )) (( segid " " and resid 811 and name HB3 )) 3.300 1.400 1.400 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.53514E-03 ppm1 1.999 ppm2 2.686 CV 1 ASSI { 1703} (( segid " " and resid 825 and name HG3 )) (( segid " " and resid 825 and name HG2 )) 2.100 0.600 0.600 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.40306E-02 ppm1 2.006 ppm2 2.552 CV 1 ASSI { 1706} (( segid " " and resid 825 and name HA )) (( segid " " and resid 825 and name HG2 )) 3.200 1.300 1.300 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.97129E-03 ppm1 3.908 ppm2 2.554 CV 1 ASSI { 1707} (( segid " " and resid 825 and name HG3 )) (( segid " " and resid 825 and name HB2 )) 2.900 1.100 1.100 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.13208E-02 ppm1 2.004 ppm2 2.105 CV 1 ASSI { 1708} (( segid " " and resid 825 and name HG2 )) (( segid " " and resid 825 and name HB2 )) 3.200 1.200 1.200 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.82279E-03 ppm1 2.550 ppm2 2.104 CV 1 ASSI { 1709} (( segid " " and resid 825 and name HB3 )) (( segid " " and resid 825 and name HB2 )) 2.400 0.700 0.700 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.15436E-02 ppm1 1.819 ppm2 2.106 CV 1 ASSI { 1710} (( segid " " and resid 825 and name HA )) (( segid " " and resid 825 and name HB2 )) 3.100 1.200 1.200 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.16332E-02 ppm1 3.904 ppm2 2.107 CV 1 ASSI { 1711} (( segid " " and resid 825 and name HG2 )) (( segid " " and resid 825 and name HB3 )) 3.600 1.600 1.600 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.10950E-02 ppm1 2.553 ppm2 1.829 CV 1 ASSI { 1713} (( segid " " and resid 825 and name HG3 )) (( segid " " and resid 825 and name HB3 )) 2.900 1.000 1.000 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.14817E-02 ppm1 2.009 ppm2 1.827 CV 1 ASSI { 1714} (( segid " " and resid 891 and name HG3 )) (( segid " " and resid 891 and name HB3 )) 3.100 1.200 1.200 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.26602E-02 ppm1 1.802 ppm2 2.009 CV 1 ASSI { 1716} (( segid " " and resid 825 and name HA )) (( segid " " and resid 828 and name HB )) 2.700 0.900 0.900 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.29819E-02 ppm1 3.907 ppm2 1.970 CV 1 ASSI { 1717} (( segid " " and resid 825 and name HA )) (( segid " " and resid 825 and name HB3 )) 2.700 0.900 0.900 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.15188E-02 ppm1 3.905 ppm2 1.836 CV 1 ASSI { 1719} (( segid " " and resid 863 and name HA )) (( segid " " and resid 863 and name HB2 )) 2.600 0.900 0.900 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.19426E-02 ppm1 3.902 ppm2 1.618 CV 1 ASSI { 1720} (( segid " " and resid 857 and name HA )) (( segid " " and resid 857 and name HB2 )) 3.000 1.100 1.100 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.23942E-02 ppm1 3.876 ppm2 1.798 CV 1 ASSI { 1727} (( segid " " and resid 825 and name HB2 )) ( segid " " and resid 808 and name HG1%) 4.400 2.400 1.600 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.73000E-03 ppm1 2.106 ppm2 1.004 CV 1 ASSI { 1732} (( segid " " and resid 825 and name HG3 )) ( segid " " and resid 808 and name HG2%) 4.500 2.600 1.500 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.39594E-03 ppm1 2.008 ppm2 1.003 CV 1 ASSI { 1734} (( segid " " and resid 824 and name HA )) (( segid " " and resid 824 and name HG3 )) 2.900 1.000 1.000 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.17291E-02 ppm1 3.860 ppm2 1.293 CV 1 ASSI { 1735} (( segid " " and resid 824 and name HA )) ( segid " " and resid 823 and name HG2%) 4.600 2.700 1.400 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.42996E-03 ppm1 3.863 ppm2 0.945 CV 1 ASSI { 1736} (( segid " " and resid 824 and name HA )) ( segid " " and resid 823 and name HG1%) 3.300 1.400 1.400 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.11012E-02 ppm1 3.860 ppm2 0.847 CV 1 ASSI { 1737} (( segid " " and resid 824 and name HA )) ( segid " " and resid 828 and name HD1%) 4.400 2.400 1.600 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.33717E-03 ppm1 3.859 ppm2 0.719 CV 1 ASSI { 1740} (( segid " " and resid 824 and name HD3 )) (( segid " " and resid 824 and name HG3 )) 2.800 1.000 1.000 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.21715E-02 ppm1 3.066 ppm2 1.292 CV 1 ASSI { 1741} (( segid " " and resid 824 and name HD3 )) ( segid " " and resid 828 and name HD1%) 3.400 3.400 2.600 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.38047E-03 ppm1 3.064 ppm2 0.720 CV 1 ASSI { 1742} (( segid " " and resid 824 and name HD2 )) (( segid " " and resid 824 and name HG3 )) 2.800 1.000 1.000 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.22921E-02 ppm1 3.222 ppm2 1.292 CV 1 ASSI { 1743} (( segid " " and resid 824 and name HD2 )) ( segid " " and resid 828 and name HD1%) 3.300 1.300 1.300 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.48255E-03 ppm1 3.226 ppm2 0.719 CV 1 ASSI { 1744} (( segid " " and resid 824 and name HG2 )) ( segid " " and resid 828 and name HD1%) 3.300 1.300 1.300 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.82590E-03 ppm1 1.650 ppm2 0.719 CV 1 ASSI { 1745} (( segid " " and resid 824 and name HG2 )) (( segid " " and resid 824 and name HG3 )) 2.000 0.500 0.500 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.69909E-02 ppm1 1.651 ppm2 1.292 CV 1 ASSI { 1747} (( segid " " and resid 824 and name HA )) (( segid " " and resid 823 and name HB )) 4.000 2.000 2.000 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.38975E-03 ppm1 3.853 ppm2 2.029 CV 1 ASSI { 1748} (( segid " " and resid 824 and name HA )) (( segid " " and resid 824 and name HB2 )) 2.400 0.700 0.700 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.54782E-02 ppm1 3.860 ppm2 1.887 CV 1 OR { 1748} (( segid " " and resid 824 and name HA )) (( segid " " and resid 824 and name HB3 )) ASSI { 1749} (( segid " " and resid 824 and name HA )) (( segid " " and resid 827 and name HG3 )) 3.400 1.400 1.400 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.63415E-03 ppm1 3.858 ppm2 1.768 CV 1 ASSI { 1750} (( segid " " and resid 824 and name HA )) (( segid " " and resid 824 and name HG2 )) 3.200 1.300 1.300 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.23756E-02 ppm1 3.861 ppm2 1.650 CV 1 ASSI { 1752} (( segid " " and resid 824 and name HD2 )) (( segid " " and resid 824 and name HB2 )) 3.000 1.200 1.200 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.16797E-02 ppm1 3.220 ppm2 1.880 CV 1 OR { 1752} (( segid " " and resid 824 and name HD2 )) (( segid " " and resid 824 and name HB3 )) ASSI { 1753} (( segid " " and resid 824 and name HD2 )) (( segid " " and resid 824 and name HG2 )) 2.800 1.000 1.000 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.25582E-02 ppm1 3.222 ppm2 1.651 CV 1 ASSI { 1754} (( segid " " and resid 824 and name HG2 )) (( segid " " and resid 824 and name HB3 )) 2.700 0.900 0.900 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.28551E-02 ppm1 1.653 ppm2 1.882 CV 1 OR { 1754} (( segid " " and resid 824 and name HG2 )) (( segid " " and resid 824 and name HB2 )) ASSI { 1755} (( segid " " and resid 824 and name HG3 )) (( segid " " and resid 824 and name HB2 )) 2.900 1.100 1.100 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.19766E-02 ppm1 1.293 ppm2 1.880 CV 1 OR { 1755} (( segid " " and resid 824 and name HG3 )) (( segid " " and resid 824 and name HB3 )) ASSI { 1757} (( segid " " and resid 824 and name HA )) (( segid " " and resid 824 and name HD2 )) 4.200 2.200 1.800 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.45162E-03 ppm1 3.862 ppm2 3.220 CV 1 ASSI { 1758} (( segid " " and resid 824 and name HA )) (( segid " " and resid 827 and name HD2 )) 3.200 1.200 1.200 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.12621E-02 ppm1 3.861 ppm2 3.090 CV 1 OR { 1758} (( segid " " and resid 824 and name HA )) (( segid " " and resid 827 and name HD3 )) ASSI { 1763} (( segid " " and resid 824 and name HD3 )) (( segid " " and resid 824 and name HD2 )) 1.800 0.400 0.400 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.10477E-01 ppm1 3.065 ppm2 3.219 CV 1 ASSI { 1771} (( segid " " and resid 824 and name HA )) (( segid " " and resid 821 and name HA )) 4.600 2.600 1.400 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.47327E-03 ppm1 3.859 ppm2 4.311 CV 1 ASSI { 1773} (( segid " " and resid 824 and name HD3 )) (( segid " " and resid 821 and name HA )) 4.000 2.000 2.000 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.42378E-03 ppm1 3.071 ppm2 4.308 CV 1 ASSI { 1777} (( segid " " and resid 824 and name HD3 )) (( segid " " and resid 824 and name HH21)) 4.300 2.300 1.700 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.79188E-03 ppm1 3.065 ppm2 6.847 CV 1 OR { 1777} (( segid " " and resid 824 and name HD3 )) (( segid " " and resid 824 and name HH22)) ASSI { 1778} (( segid " " and resid 824 and name HD2 )) (( segid " " and resid 824 and name HH21)) 4.100 2.100 1.900 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.10734E-02 ppm1 3.220 ppm2 6.845 CV 1 OR { 1778} (( segid " " and resid 824 and name HD2 )) (( segid " " and resid 824 and name HH22)) ASSI { 1779} (( segid " " and resid 824 and name HA )) (( segid " " and resid 824 and name H )) 2.500 0.800 0.800 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.45966E-02 ppm1 3.860 ppm2 7.863 CV 1 ASSI { 1780} (( segid " " and resid 824 and name HA )) (( segid " " and resid 828 and name H )) 4.000 2.000 2.000 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.43306E-03 ppm1 3.858 ppm2 7.581 CV 1 ASSI { 1782} (( segid " " and resid 824 and name HG2 )) (( segid " " and resid 824 and name H )) 4.300 2.300 1.700 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.86921E-03 ppm1 1.650 ppm2 7.862 CV 1 ASSI { 1783} (( segid " " and resid 824 and name HG3 )) (( segid " " and resid 824 and name H )) 4.600 2.600 1.400 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.52586E-03 ppm1 1.294 ppm2 7.860 CV 1 ASSI { 1784} (( segid " " and resid 824 and name HD2 )) (( segid " " and resid 824 and name HE )) 3.300 1.400 1.400 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.89084E-03 ppm1 3.224 ppm2 8.023 CV 1 ASSI { 1787} (( segid " " and resid 898 and name HA )) (( segid " " and resid 901 and name H )) 3.200 1.300 1.300 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.11353E-02 ppm1 3.775 ppm2 8.437 CV 1 ASSI { 1788} (( segid " " and resid 824 and name HA )) (( segid " " and resid 825 and name H )) 3.300 1.400 1.400 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.10672E-02 ppm1 3.861 ppm2 8.432 CV 1 ASSI { 1789} (( segid " " and resid 823 and name HA )) (( segid " " and resid 826 and name H )) 2.900 1.100 1.100 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.18684E-02 ppm1 3.469 ppm2 8.214 CV 1 ASSI { 1791} (( segid " " and resid 823 and name HA )) (( segid " " and resid 823 and name H )) 2.700 0.900 0.900 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.26169E-02 ppm1 3.468 ppm2 7.757 CV 1 ASSI { 1793} (( segid " " and resid 823 and name HB )) (( segid " " and resid 823 and name H )) 2.600 0.800 0.800 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.34181E-02 ppm1 2.034 ppm2 7.758 CV 1 ASSI { 1794} ( segid " " and resid 856 and name HD2%) (( segid " " and resid 857 and name H )) 3.900 1.900 1.900 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.16858E-02 ppm1 0.957 ppm2 8.255 CV 1 ASSI { 1796} ( segid " " and resid 856 and name HD2%) (( segid " " and resid 856 and name H )) 3.300 1.300 1.300 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.35480E-02 ppm1 0.956 ppm2 7.969 CV 1 ASSI { 1797} ( segid " " and resid 823 and name HG2%) (( segid " " and resid 824 and name H )) 3.400 1.500 1.500 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.26571E-02 ppm1 0.945 ppm2 7.863 CV 1 ASSI { 1798} ( segid " " and resid 823 and name HG2%) (( segid " " and resid 823 and name H )) 2.000 0.500 0.500 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.10573E-01 ppm1 0.945 ppm2 7.757 CV 1 ASSI { 1799} ( segid " " and resid 823 and name HG2%) (( segid " " and resid 822 and name H )) 4.000 2.000 2.000 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.10888E-02 ppm1 0.945 ppm2 8.481 CV 1 ASSI { 1800} ( segid " " and resid 823 and name HG2%) (( segid " " and resid 820 and name H )) 3.000 3.000 3.000 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.78571E-03 ppm1 0.945 ppm2 8.423 CV 1 ASSI { 1801} ( segid " " and resid 856 and name HD2%) ( segid " " and resid 798 and name HE% ) 2.600 0.900 0.900 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.35975E-02 ppm1 0.957 ppm2 6.537 CV 1 ASSI { 1802} ( segid " " and resid 856 and name HD2%) (( segid " " and resid 908 and name HA )) 2.900 1.100 1.100 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.20199E-02 ppm1 0.957 ppm2 4.262 CV 1 ASSI { 1803} ( segid " " and resid 856 and name HD2%) (( segid " " and resid 856 and name HA )) 2.100 0.500 0.500 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.12225E-01 ppm1 0.956 ppm2 3.955 CV 1 ASSI { 1804} ( segid " " and resid 823 and name HG2%) (( segid " " and resid 819 and name HA )) 3.400 1.400 1.400 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.29665E-02 ppm1 0.945 ppm2 3.860 CV 1 ASSI { 1805} ( segid " " and resid 823 and name HG2%) (( segid " " and resid 875 and name HA )) 2.500 0.800 0.800 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.30562E-02 ppm1 0.945 ppm2 3.758 CV 1 ASSI { 1806} ( segid " " and resid 823 and name HG2%) (( segid " " and resid 820 and name HA2 )) 2.900 1.000 1.000 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.16889E-02 ppm1 0.945 ppm2 3.673 CV 1 ASSI { 1807} ( segid " " and resid 823 and name HG2%) (( segid " " and resid 823 and name HA )) 2.200 0.600 0.600 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.10310E-01 ppm1 0.945 ppm2 3.468 CV 1 ASSI { 1811} ( segid " " and resid 856 and name HD2%) (( segid " " and resid 907 and name HB3 )) 2.700 0.900 0.900 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.33191E-02 ppm1 0.956 ppm2 2.717 CV 1 OR { 1811} ( segid " " and resid 856 and name HD2%) (( segid " " and resid 907 and name HB2 )) ASSI { 1812} ( segid " " and resid 856 and name HD2%) (( segid " " and resid 843 and name HB2 )) 2.900 2.900 3.100 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.87850E-03 ppm1 0.956 ppm2 3.013 CV 1 ASSI { 1813} (( segid " " and resid 823 and name HA )) (( segid " " and resid 823 and name HB )) 2.900 1.000 1.000 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.23663E-02 ppm1 3.468 ppm2 2.034 CV 1 ASSI { 1814} (( segid " " and resid 823 and name HA )) (( segid " " and resid 822 and name HB3 )) 3.800 1.800 1.800 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.49493E-03 ppm1 3.465 ppm2 1.884 CV 1 ASSI { 1817} ( segid " " and resid 823 and name HG2%) (( segid " " and resid 875 and name HG3 )) 3.600 1.700 1.700 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.16395E-02 ppm1 0.946 ppm2 1.588 CV 1 ASSI { 1819} ( segid " " and resid 856 and name HD2%) ( segid " " and resid 859 and name HB% ) 3.100 1.200 1.200 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.29943E-02 ppm1 0.957 ppm2 1.457 CV 1 ASSI { 1821} ( segid " " and resid 823 and name HG2%) ( segid " " and resid 874 and name HB% ) 3.000 1.200 1.200 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.23602E-02 ppm1 0.945 ppm2 1.308 CV 1 ASSI { 1822} ( segid " " and resid 856 and name HD2%) ( segid " " and resid 908 and name HB% ) 3.100 3.100 2.900 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.26448E-02 ppm1 0.954 ppm2 1.286 CV 1 ASSI { 1823} ( segid " " and resid 823 and name HG2%) (( segid " " and resid 875 and name HG2 )) 2.600 0.900 0.900 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.32294E-02 ppm1 0.945 ppm2 1.249 CV 1 ASSI { 1824} ( segid " " and resid 823 and name HG2%) (( segid " " and resid 822 and name HB2 )) 3.500 1.500 1.500 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.13796E-02 ppm1 0.945 ppm2 2.118 CV 1 ASSI { 1825} ( segid " " and resid 823 and name HG2%) (( segid " " and resid 823 and name HB )) 2.100 0.500 0.500 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.11680E-01 ppm1 0.945 ppm2 2.034 CV 1 ASSI { 1826} ( segid " " and resid 856 and name HD2%) (( segid " " and resid 856 and name HB2 )) 3.200 1.300 1.300 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.39408E-02 ppm1 0.957 ppm2 1.988 CV 1 ASSI { 1827} ( segid " " and resid 823 and name HG2%) (( segid " " and resid 822 and name HB3 )) 3.700 1.700 1.700 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.22272E-02 ppm1 0.945 ppm2 1.878 CV 1 OR { 1827} ( segid " " and resid 823 and name HG2%) ( segid " " and resid 822 and name HE% ) ASSI { 1828} ( segid " " and resid 856 and name HD2%) (( segid " " and resid 856 and name HG )) 2.100 0.600 0.600 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.10492E-01 ppm1 0.957 ppm2 1.791 CV 1 ASSI { 1829} ( segid " " and resid 823 and name HG2%) ( segid " " and resid 890 and name HD2%) 3.900 1.900 1.900 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.83519E-03 ppm1 0.944 ppm2 0.515 CV 1 ASSI { 1830} ( segid " " and resid 856 and name HD2%) ( segid " " and resid 840 and name HD1%) 3.500 1.600 1.600 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.18096E-02 ppm1 0.958 ppm2 0.318 CV 1 ASSI { 1840} ( segid " " and resid 822 and name HE% ) (( segid " " and resid 822 and name H )) 4.100 2.100 1.900 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.15806E-02 ppm1 1.873 ppm2 8.480 CV 1 ASSI { 1841} ( segid " " and resid 822 and name HE% ) (( segid " " and resid 817 and name H )) 3.100 1.200 1.200 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.23633E-02 ppm1 1.873 ppm2 8.113 CV 1 ASSI { 1842} ( segid " " and resid 822 and name HE% ) (( segid " " and resid 878 and name H )) 2.600 0.800 0.800 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.46616E-02 ppm1 1.873 ppm2 7.993 CV 1 ASSI { 1843} ( segid " " and resid 822 and name HE% ) (( segid " " and resid 823 and name H )) 4.200 2.200 1.800 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.11321E-02 ppm1 1.873 ppm2 7.758 CV 1 ASSI { 1844} (( segid " " and resid 822 and name HG3 )) (( segid " " and resid 822 and name H )) 2.600 0.800 0.800 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.20973E-02 ppm1 2.679 ppm2 8.479 CV 1 ASSI { 1845} (( segid " " and resid 822 and name HG3 )) (( segid " " and resid 818 and name H )) 3.500 1.500 1.500 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.51039E-03 ppm1 2.683 ppm2 8.215 CV 1 ASSI { 1847} (( segid " " and resid 822 and name HG2 )) (( segid " " and resid 822 and name H )) 3.900 1.900 1.900 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.12466E-02 ppm1 2.251 ppm2 8.481 CV 1 ASSI { 1848} (( segid " " and resid 822 and name HG2 )) (( segid " " and resid 818 and name H )) 4.400 2.400 1.600 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.34954E-03 ppm1 2.249 ppm2 8.213 CV 1 ASSI { 1849} (( segid " " and resid 822 and name HG2 )) (( segid " " and resid 823 and name H )) 4.800 2.800 1.200 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.50730E-03 ppm1 2.247 ppm2 7.759 CV 1 ASSI { 1857} ( segid " " and resid 822 and name HE% ) (( segid " " and resid 874 and name HA )) 2.400 0.700 0.700 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.71084E-02 ppm1 1.873 ppm2 3.853 CV 1 ASSI { 1858} ( segid " " and resid 822 and name HE% ) (( segid " " and resid 822 and name HA )) 3.700 1.700 1.700 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.22643E-02 ppm1 1.873 ppm2 3.702 CV 1 ASSI { 1859} ( segid " " and resid 822 and name HE% ) (( segid " " and resid 816 and name HA )) 2.400 0.700 0.700 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.56855E-02 ppm1 1.873 ppm2 4.459 CV 1 ASSI { 1864} (( segid " " and resid 822 and name HG2 )) (( segid " " and resid 819 and name HA )) 4.800 2.800 1.200 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.47946E-03 ppm1 2.247 ppm2 3.860 CV 1 ASSI { 1868} (( segid " " and resid 822 and name HG2 )) (( segid " " and resid 822 and name HG3 )) 2.000 0.500 0.500 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.64185E-02 ppm1 2.250 ppm2 2.679 CV 1 ASSI { 1869} ( segid " " and resid 822 and name HE% ) (( segid " " and resid 822 and name HG3 )) 3.100 1.200 1.200 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.41481E-02 ppm1 1.873 ppm2 2.679 CV 1 ASSI { 1870} ( segid " " and resid 822 and name HE% ) (( segid " " and resid 816 and name HG3 )) 2.600 0.900 0.900 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.44296E-02 ppm1 1.873 ppm2 2.604 CV 1 ASSI { 1871} (( segid " " and resid 822 and name HB3 )) (( segid " " and resid 822 and name HG3 )) 3.800 1.800 1.800 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.71143E-03 ppm1 1.886 ppm2 2.681 CV 1 ASSI { 1875} (( segid " " and resid 822 and name HB2 )) (( segid " " and resid 822 and name HB3 )) 2.100 0.600 0.600 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.36903E-02 ppm1 2.117 ppm2 1.882 CV 1 OR { 1875} (( segid " " and resid 822 and name HB2 )) ( segid " " and resid 822 and name HE% ) ASSI { 1876} (( segid " " and resid 822 and name HB3 )) (( segid " " and resid 822 and name HG2 )) 2.800 1.000 1.000 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.11847E-02 ppm1 1.888 ppm2 2.253 CV 1 ASSI { 1877} (( segid " " and resid 822 and name HB3 )) (( segid " " and resid 822 and name HB2 )) 2.100 0.500 0.500 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.32820E-02 ppm1 1.887 ppm2 2.115 CV 1 ASSI { 1878} (( segid " " and resid 822 and name HG3 )) (( segid " " and resid 822 and name HB3 )) 3.200 1.300 1.300 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.22302E-02 ppm1 2.680 ppm2 1.877 CV 1 OR { 1878} (( segid " " and resid 822 and name HG3 )) ( segid " " and resid 822 and name HE% ) ASSI { 1880} (( segid " " and resid 822 and name HG3 )) (( segid " " and resid 822 and name HB2 )) 2.700 0.900 0.900 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.15806E-02 ppm1 2.680 ppm2 2.116 CV 1 ASSI { 1881} (( segid " " and resid 822 and name HG2 )) (( segid " " and resid 822 and name HB3 )) 2.500 0.800 0.800 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.30005E-02 ppm1 2.250 ppm2 1.877 CV 1 OR { 1881} (( segid " " and resid 822 and name HG2 )) ( segid " " and resid 822 and name HE% ) ASSI { 1882} (( segid " " and resid 822 and name HG2 )) (( segid " " and resid 822 and name HB2 )) 3.200 1.300 1.300 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.17941E-02 ppm1 2.249 ppm2 2.115 CV 1 ASSI { 1883} ( segid " " and resid 822 and name HE% ) (( segid " " and resid 822 and name HG2 )) 2.300 0.700 0.700 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.70061E-02 ppm1 1.873 ppm2 2.252 CV 1 ASSI { 1884} ( segid " " and resid 822 and name HE% ) (( segid " " and resid 822 and name HB2 )) 2.800 1.000 1.000 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.52369E-02 ppm1 1.873 ppm2 2.108 CV 1 ASSI { 1886} (( segid " " and resid 822 and name HB3 )) ( segid " " and resid 878 and name HB% ) 3.800 1.800 1.800 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.10301E-02 ppm1 1.888 ppm2 1.399 CV 1 ASSI { 1887} ( segid " " and resid 822 and name HE% ) ( segid " " and resid 878 and name HB% ) 2.300 0.700 0.700 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.93198E-02 ppm1 1.873 ppm2 1.401 CV 1 ASSI { 1888} ( segid " " and resid 822 and name HE% ) ( segid " " and resid 874 and name HB% ) 2.600 0.900 0.900 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.54040E-02 ppm1 1.873 ppm2 1.311 CV 1 ASSI { 1889} ( segid " " and resid 822 and name HE% ) ( segid " " and resid 877 and name HB% ) 2.100 0.600 0.600 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.13765E-01 ppm1 1.873 ppm2 1.243 CV 1 ASSI { 1890} (( segid " " and resid 822 and name HG3 )) ( segid " " and resid 878 and name HB% ) 4.200 2.200 1.800 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.58772E-03 ppm1 2.676 ppm2 1.400 CV 1 ASSI { 1893} (( segid " " and resid 822 and name HB3 )) ( segid " " and resid 812 and name HG2%) 3.400 1.400 1.400 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.58154E-03 ppm1 1.888 ppm2 0.497 CV 1 ASSI { 1895} ( segid " " and resid 822 and name HE% ) ( segid " " and resid 812 and name HG2%) 1.900 0.500 0.500 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.23543E-01 ppm1 1.873 ppm2 0.499 CV 1 ASSI { 1896} ( segid " " and resid 822 and name HE% ) ( segid " " and resid 890 and name HD1%) 3.100 1.200 1.200 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.44482E-02 ppm1 1.873 ppm2 0.692 CV 1 ASSI { 1897} ( segid " " and resid 822 and name HE% ) ( segid " " and resid 823 and name HG2%) 4.100 2.100 1.900 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.11693E-02 ppm1 1.874 ppm2 0.945 CV 1 ASSI { 1898} ( segid " " and resid 822 and name HE% ) (( segid " " and resid 812 and name HG12)) 3.800 1.800 1.800 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.10734E-02 ppm1 1.873 ppm2 0.854 CV 1 ASSI { 1901} (( segid " " and resid 852 and name HA )) (( segid " " and resid 853 and name H )) 3.300 1.400 1.400 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.11012E-02 ppm1 4.500 ppm2 8.375 CV 1 ASSI { 1902} (( segid " " and resid 852 and name HA )) (( segid " " and resid 852 and name H )) 2.700 0.900 0.900 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.34211E-02 ppm1 4.500 ppm2 8.270 CV 1 ASSI { 1903} (( segid " " and resid 852 and name HA )) (( segid " " and resid 854 and name H )) 4.000 2.000 2.000 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.39285E-03 ppm1 4.505 ppm2 8.046 CV 1 ASSI { 1905} (( segid " " and resid 852 and name HA )) (( segid " " and resid 855 and name H )) 2.900 1.100 1.100 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.19054E-02 ppm1 4.499 ppm2 7.897 CV 1 ASSI { 1906} (( segid " " and resid 852 and name HB3 )) (( segid " " and resid 853 and name H )) 2.900 1.000 1.000 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.15219E-02 ppm1 2.635 ppm2 8.376 CV 1 ASSI { 1907} (( segid " " and resid 852 and name HB3 )) (( segid " " and resid 852 and name H )) 2.700 0.900 0.900 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.22767E-02 ppm1 2.633 ppm2 8.270 CV 1 ASSI { 1908} (( segid " " and resid 852 and name HB3 )) (( segid " " and resid 852 and name HD21)) 2.500 0.800 0.800 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.21622E-02 ppm1 2.633 ppm2 7.968 CV 1 ASSI { 1910} (( segid " " and resid 852 and name HB2 )) (( segid " " and resid 853 and name H )) 3.700 1.700 1.700 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.15899E-02 ppm1 2.829 ppm2 8.376 CV 1 ASSI { 1913} (( segid " " and resid 902 and name HB2 )) (( segid " " and resid 903 and name H )) 3.600 1.600 1.600 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.17817E-02 ppm1 2.802 ppm2 7.897 CV 1 ASSI { 1914} (( segid " " and resid 852 and name HB2 )) (( segid " " and resid 849 and name H )) 5.100 3.300 0.900 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.55061E-03 ppm1 2.828 ppm2 8.617 CV 1 ASSI { 1915} (( segid " " and resid 852 and name HA )) (( segid " " and resid 852 and name HD22)) 4.400 2.400 1.600 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.41450E-03 ppm1 4.499 ppm2 7.056 CV 1 ASSI { 1916} (( segid " " and resid 852 and name HB3 )) (( segid " " and resid 852 and name HD22)) 4.000 2.000 2.000 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.10981E-02 ppm1 2.635 ppm2 7.056 CV 1 ASSI { 1917} (( segid " " and resid 852 and name HB2 )) (( segid " " and resid 852 and name HD22)) 4.100 2.100 1.900 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.10239E-02 ppm1 2.829 ppm2 7.056 CV 1 ASSI { 1920} (( segid " " and resid 902 and name HB2 )) (( segid " " and resid 902 and name HA )) 2.500 0.800 0.800 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.30252E-02 ppm1 2.800 ppm2 4.430 CV 1 ASSI { 1922} (( segid " " and resid 852 and name HA )) (( segid " " and resid 852 and name HB2 )) 2.600 0.800 0.800 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.30221E-02 ppm1 4.499 ppm2 2.827 CV 1 ASSI { 1923} (( segid " " and resid 852 and name HA )) (( segid " " and resid 852 and name HB3 )) 2.900 1.000 1.000 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.32696E-02 ppm1 4.500 ppm2 2.636 CV 1 ASSI { 1924} (( segid " " and resid 852 and name HB3 )) (( segid " " and resid 852 and name HB2 )) 1.900 0.400 0.400 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.89613E-02 ppm1 2.634 ppm2 2.827 CV 1 ASSI { 1926} (( segid " " and resid 852 and name HB2 )) (( segid " " and resid 849 and name HB2 )) 4.100 2.100 1.900 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.79499E-03 ppm1 2.831 ppm2 2.492 CV 1 ASSI { 1927} (( segid " " and resid 852 and name HB3 )) (( segid " " and resid 849 and name HB2 )) 3.100 1.200 1.200 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.55989E-03 ppm1 2.633 ppm2 2.492 CV 1 ASSI { 1929} (( segid " " and resid 852 and name HB3 )) (( segid " " and resid 847 and name HG2 )) 3.000 1.100 1.100 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.92798E-03 ppm1 2.639 ppm2 2.209 CV 1 ASSI { 1932} (( segid " " and resid 852 and name HA )) (( segid " " and resid 855 and name HD2 )) 3.300 1.300 1.300 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.17260E-02 ppm1 4.498 ppm2 1.683 CV 1 ASSI { 1933} (( segid " " and resid 852 and name HA )) (( segid " " and resid 855 and name HB2 )) 2.600 0.900 0.900 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.28118E-02 ppm1 4.500 ppm2 1.960 CV 1 ASSI { 1934} (( segid " " and resid 852 and name HB3 )) (( segid " " and resid 847 and name HB3 )) 4.300 2.300 1.700 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.49183E-03 ppm1 2.638 ppm2 1.993 CV 1 ASSI { 1935} (( segid " " and resid 852 and name HB2 )) (( segid " " and resid 851 and name HB2 )) 3.800 1.800 1.800 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.44852E-03 ppm1 2.830 ppm2 1.992 CV 1 ASSI { 1936} (( segid " " and resid 852 and name HA )) (( segid " " and resid 855 and name HB3 )) 3.100 1.200 1.200 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.24406E-02 ppm1 4.500 ppm2 1.932 CV 1 ASSI { 1937} (( segid " " and resid 852 and name HA )) (( segid " " and resid 855 and name HG3 )) 3.700 1.700 1.700 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.59701E-03 ppm1 4.498 ppm2 1.412 CV 1 ASSI { 1939} (( segid " " and resid 852 and name HB3 )) ( segid " " and resid 856 and name HD1%) 3.900 1.900 1.900 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.53823E-03 ppm1 2.633 ppm2 0.824 CV 1 ASSI { 1940} (( segid " " and resid 891 and name HG3 )) (( segid " " and resid 891 and name H )) 2.600 0.800 0.800 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.20045E-02 ppm1 1.799 ppm2 8.070 CV 1 ASSI { 1941} (( segid " " and resid 854 and name HG3 )) (( segid " " and resid 854 and name H )) 2.600 0.800 0.800 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.22736E-02 ppm1 1.795 ppm2 8.052 CV 1 ASSI { 1942} (( segid " " and resid 889 and name HG3 )) (( segid " " and resid 889 and name H )) 2.600 0.800 0.800 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.22797E-02 ppm1 1.784 ppm2 8.030 CV 1 ASSI { 1944} (( segid " " and resid 854 and name HA )) (( segid " " and resid 855 and name H )) 3.300 1.400 1.400 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.11353E-02 ppm1 3.909 ppm2 7.897 CV 1 ASSI { 1945} (( segid " " and resid 854 and name HA )) (( segid " " and resid 857 and name H )) 2.900 1.100 1.100 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.19209E-02 ppm1 3.909 ppm2 8.258 CV 1 ASSI { 1946} (( segid " " and resid 854 and name HA )) (( segid " " and resid 854 and name H )) 2.600 0.800 0.800 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.38635E-02 ppm1 3.909 ppm2 8.047 CV 1 ASSI { 1948} (( segid " " and resid 854 and name HB3 )) (( segid " " and resid 855 and name H )) 3.600 1.600 1.600 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.12651E-02 ppm1 1.877 ppm2 7.896 CV 1 ASSI { 1949} (( segid " " and resid 854 and name HD2 )) (( segid " " and resid 851 and name H )) 3.300 3.300 2.700 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.45781E-03 ppm1 3.111 ppm2 8.233 CV 1 OR { 1949} (( segid " " and resid 854 and name HD3 )) (( segid " " and resid 851 and name H )) ASSI { 1950} (( segid " " and resid 854 and name HD3 )) (( segid " " and resid 854 and name HE )) 2.700 0.900 0.900 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.27066E-02 ppm1 3.124 ppm2 7.515 CV 1 OR { 1950} (( segid " " and resid 854 and name HD2 )) (( segid " " and resid 854 and name HE )) ASSI { 1951} (( segid " " and resid 889 and name HD2 )) (( segid " " and resid 889 and name HE )) 3.200 1.300 1.300 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.10332E-02 ppm1 3.134 ppm2 7.397 CV 1 OR { 1951} (( segid " " and resid 889 and name HD3 )) (( segid " " and resid 889 and name HE )) ASSI { 1953} (( segid " " and resid 898 and name HD3 )) (( segid " " and resid 895 and name HA )) 2.800 2.800 3.200 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.19364E-02 ppm1 3.125 ppm2 4.135 CV 1 ASSI { 1954} (( segid " " and resid 854 and name HD2 )) (( segid " " and resid 851 and name HA )) 2.800 1.000 1.000 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.21869E-02 ppm1 3.116 ppm2 4.083 CV 1 OR { 1954} (( segid " " and resid 854 and name HD3 )) (( segid " " and resid 851 and name HA )) ASSI { 1955} (( segid " " and resid 889 and name HD3 )) (( segid " " and resid 889 and name HA )) 3.800 1.800 1.800 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.18374E-02 ppm1 3.132 ppm2 4.048 CV 1 OR { 1955} (( segid " " and resid 889 and name HD2 )) (( segid " " and resid 889 and name HA )) ASSI { 1956} (( segid " " and resid 854 and name HD2 )) (( segid " " and resid 854 and name HA )) 4.000 2.000 2.000 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.14136E-02 ppm1 3.114 ppm2 3.909 CV 1 OR { 1956} (( segid " " and resid 854 and name HD3 )) (( segid " " and resid 854 and name HA )) ASSI { 1958} (( segid " " and resid 898 and name HB2 )) (( segid " " and resid 895 and name HA )) 3.500 1.500 1.500 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.11507E-02 ppm1 1.889 ppm2 4.138 CV 1 ASSI { 1959} (( segid " " and resid 854 and name HB2 )) (( segid " " and resid 851 and name HA )) 3.000 1.100 1.100 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.13116E-02 ppm1 1.927 ppm2 4.078 CV 1 ASSI { 1960} (( segid " " and resid 854 and name HB3 )) (( segid " " and resid 851 and name HA )) 3.900 1.900 1.900 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.11971E-02 ppm1 1.880 ppm2 4.081 CV 1 ASSI { 1964} (( segid " " and resid 827 and name HB2 )) (( segid " " and resid 824 and name HA )) 3.000 1.100 1.100 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.11569E-02 ppm1 1.911 ppm2 3.862 CV 1 ASSI { 1967} (( segid " " and resid 898 and name HD2 )) (( segid " " and resid 898 and name HA )) 4.200 2.200 1.800 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.81350E-03 ppm1 3.126 ppm2 3.778 CV 1 OR { 1967} (( segid " " and resid 898 and name HD3 )) (( segid " " and resid 898 and name HA )) ASSI { 1969} (( segid " " and resid 854 and name HA )) (( segid " " and resid 854 and name HB2 )) 2.900 1.000 1.000 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.34119E-02 ppm1 3.908 ppm2 1.917 CV 1 ASSI { 1970} (( segid " " and resid 854 and name HA )) (( segid " " and resid 854 and name HB3 )) 2.500 0.800 0.800 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.34830E-02 ppm1 3.908 ppm2 1.888 CV 1 ASSI { 1971} (( segid " " and resid 854 and name HA )) (( segid " " and resid 854 and name HG3 )) 2.800 1.000 1.000 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.40769E-02 ppm1 3.908 ppm2 1.795 CV 1 ASSI { 1972} (( segid " " and resid 854 and name HA )) (( segid " " and resid 857 and name HG )) 3.600 1.600 1.600 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.66195E-03 ppm1 3.907 ppm2 1.705 CV 1 ASSI { 1973} (( segid " " and resid 854 and name HA )) (( segid " " and resid 854 and name HG2 )) 2.700 0.900 0.900 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.24561E-02 ppm1 3.908 ppm2 1.569 CV 1 ASSI { 1974} (( segid " " and resid 854 and name HA )) (( segid " " and resid 857 and name HB3 )) 4.100 2.100 1.900 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.13363E-02 ppm1 3.909 ppm2 1.383 CV 1 ASSI { 1977} (( segid " " and resid 889 and name HB2 )) (( segid " " and resid 889 and name HB3 )) 2.000 0.500 0.500 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.67217E-02 ppm1 1.843 ppm2 1.950 CV 1 ASSI { 1978} (( segid " " and resid 891 and name HD2 )) (( segid " " and resid 891 and name HB3 )) 3.300 1.300 1.300 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.15157E-02 ppm1 3.166 ppm2 2.006 CV 1 ASSI { 1979} (( segid " " and resid 891 and name HD3 )) (( segid " " and resid 891 and name HB3 )) 2.900 1.100 1.100 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.16827E-02 ppm1 3.079 ppm2 2.004 CV 1 ASSI { 1980} (( segid " " and resid 889 and name HG3 )) (( segid " " and resid 889 and name HB3 )) 2.800 1.000 1.000 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.48688E-02 ppm1 1.782 ppm2 1.948 CV 1 ASSI { 1982} (( segid " " and resid 854 and name HD3 )) ( segid " " and resid 850 and name HD2%) 3.000 1.100 1.100 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.81662E-03 ppm1 3.116 ppm2 0.896 CV 1 OR { 1982} (( segid " " and resid 854 and name HD2 )) ( segid " " and resid 850 and name HD2%) ASSI { 1983} (( segid " " and resid 898 and name HD2 )) ( segid " " and resid 806 and name HD1%) 3.600 1.700 1.700 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.15930E-02 ppm1 3.121 ppm2 0.803 CV 1 OR { 1983} (( segid " " and resid 898 and name HD3 )) ( segid " " and resid 806 and name HD1%) ASSI { 1984} (( segid " " and resid 854 and name HA )) ( segid " " and resid 857 and name HD1%) 2.700 0.900 0.900 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.30500E-02 ppm1 3.908 ppm2 0.796 CV 1 ASSI { 1985} (( segid " " and resid 855 and name HE2 )) (( segid " " and resid 855 and name H )) 4.100 2.100 1.900 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.64338E-03 ppm1 2.939 ppm2 7.896 CV 1 OR { 1985} (( segid " " and resid 855 and name HE3 )) (( segid " " and resid 855 and name H )) ASSI { 1986} (( segid " " and resid 855 and name HB2 )) (( segid " " and resid 855 and name H )) 2.600 0.900 0.900 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.23911E-02 ppm1 1.963 ppm2 7.897 CV 1 ASSI { 1987} (( segid " " and resid 855 and name HB3 )) (( segid " " and resid 855 and name H )) 3.100 1.200 1.200 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.26664E-02 ppm1 1.923 ppm2 7.897 CV 1 ASSI { 1988} (( segid " " and resid 855 and name HB3 )) (( segid " " and resid 856 and name H )) 3.100 1.200 1.200 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.13023E-02 ppm1 1.924 ppm2 7.970 CV 1 ASSI { 1989} (( segid " " and resid 855 and name HE3 )) (( segid " " and resid 856 and name H )) 4.000 2.000 2.000 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.42378E-03 ppm1 2.940 ppm2 7.967 CV 1 ASSI { 1990} (( segid " " and resid 881 and name HB2 )) (( segid " " and resid 882 and name H )) 3.400 1.500 1.500 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.72071E-03 ppm1 1.911 ppm2 8.526 CV 1 ASSI { 1995} (( segid " " and resid 861 and name HB2 )) (( segid " " and resid 861 and name HA )) 2.500 0.800 0.800 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.38078E-02 ppm1 1.896 ppm2 3.979 CV 1 ASSI { 1998} (( segid " " and resid 885 and name HA )) (( segid " " and resid 888 and name HG2 )) 3.600 1.600 1.600 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.12714E-02 ppm1 3.993 ppm2 2.367 CV 1 ASSI { 1999} (( segid " " and resid 885 and name HA )) (( segid " " and resid 885 and name HG3 )) 2.700 0.900 0.900 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.39687E-02 ppm1 3.993 ppm2 2.190 CV 1 ASSI { 2001} (( segid " " and resid 855 and name HB2 )) (( segid " " and resid 855 and name HB3 )) 1.800 0.400 0.400 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.11513E-01 ppm1 1.963 ppm2 1.932 CV 1 ASSI { 2004} (( segid " " and resid 855 and name HB2 )) (( segid " " and resid 855 and name HG2 )) 3.500 1.500 1.500 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.12002E-02 ppm1 1.957 ppm2 1.640 CV 1 ASSI { 2005} (( segid " " and resid 855 and name HB2 )) (( segid " " and resid 855 and name HG3 )) 2.800 1.000 1.000 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.14971E-02 ppm1 1.971 ppm2 1.417 CV 1 ASSI { 2007} (( segid " " and resid 855 and name HA )) (( segid " " and resid 855 and name HG3 )) 2.700 0.900 0.900 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.37831E-02 ppm1 3.987 ppm2 1.407 CV 1 ASSI { 2011} (( segid " " and resid 856 and name HB3 )) (( segid " " and resid 857 and name H )) 3.900 1.900 1.900 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.78259E-03 ppm1 1.388 ppm2 8.262 CV 1 ASSI { 2013} (( segid " " and resid 863 and name HB3 )) (( segid " " and resid 863 and name H )) 2.600 0.800 0.800 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.21932E-02 ppm1 1.404 ppm2 7.885 CV 1 ASSI { 2018} ( segid " " and resid 856 and name HD1%) (( segid " " and resid 857 and name H )) 2.600 2.600 3.400 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.16765E-02 ppm1 0.827 ppm2 8.255 CV 1 ASSI { 2019} ( segid " " and resid 897 and name HD2%) (( segid " " and resid 897 and name H )) 3.600 1.600 1.600 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.21003E-02 ppm1 0.815 ppm2 8.079 CV 1 ASSI { 2021} ( segid " " and resid 856 and name HD1%) (( segid " " and resid 853 and name H )) 2.900 2.900 3.100 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.98986E-03 ppm1 0.826 ppm2 8.373 CV 1 ASSI { 2022} ( segid " " and resid 856 and name HD1%) (( segid " " and resid 844 and name H )) 3.200 1.300 1.300 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.19364E-02 ppm1 0.827 ppm2 8.792 CV 1 ASSI { 2025} ( segid " " and resid 856 and name HD2%) (( segid " " and resid 852 and name HD22)) 3.500 1.500 1.500 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.58154E-03 ppm1 0.957 ppm2 7.058 CV 1 ASSI { 2027} ( segid " " and resid 856 and name HD1%) (( segid " " and resid 847 and name H )) 3.200 1.200 1.200 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.59084E-03 ppm1 0.826 ppm2 7.153 CV 1 ASSI { 2028} ( segid " " and resid 856 and name HD1%) (( segid " " and resid 852 and name HD22)) 3.200 1.300 1.300 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.11167E-02 ppm1 0.827 ppm2 7.056 CV 1 ASSI { 2029} (( segid " " and resid 863 and name HB3 )) (( segid " " and resid 863 and name HA )) 3.100 1.200 1.200 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.19519E-02 ppm1 1.404 ppm2 3.906 CV 1 ASSI { 2030} (( segid " " and resid 863 and name HB3 )) (( segid " " and resid 860 and name HA )) 3.100 1.200 1.200 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.72071E-03 ppm1 1.402 ppm2 3.844 CV 1 ASSI { 2032} (( segid " " and resid 897 and name HB3 )) (( segid " " and resid 897 and name HA )) 3.100 1.200 1.200 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.13023E-02 ppm1 1.990 ppm2 4.116 CV 1 ASSI { 2033} (( segid " " and resid 856 and name HB2 )) (( segid " " and resid 856 and name HA )) 3.300 1.400 1.400 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.11723E-02 ppm1 1.983 ppm2 3.948 CV 1 ASSI { 2034} (( segid " " and resid 897 and name HB2 )) (( segid " " and resid 897 and name HA )) 2.600 0.800 0.800 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.15404E-02 ppm1 1.308 ppm2 4.113 CV 1 ASSI { 2035} ( segid " " and resid 897 and name HD2%) (( segid " " and resid 867 and name HB )) 4.100 2.100 1.900 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.77642E-03 ppm1 0.817 ppm2 4.275 CV 1 ASSI { 2037} ( segid " " and resid 897 and name HD2%) (( segid " " and resid 897 and name HA )) 2.000 0.500 0.500 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.10824E-01 ppm1 0.815 ppm2 4.116 CV 1 ASSI { 2039} ( segid " " and resid 856 and name HD1%) (( segid " " and resid 844 and name HA )) 2.200 0.600 0.600 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.77055E-02 ppm1 0.827 ppm2 3.910 CV 1 ASSI { 2040} ( segid " " and resid 897 and name HD2%) (( segid " " and resid 863 and name HA )) 2.700 2.700 3.300 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.54875E-02 ppm1 0.799 ppm2 3.903 CV 1 ASSI { 2041} ( segid " " and resid 844 and name HB% ) (( segid " " and resid 843 and name HB2 )) 4.600 2.700 1.400 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.50420E-03 ppm1 1.536 ppm2 3.011 CV 1 ASSI { 2042} ( segid " " and resid 894 and name HB% ) (( segid " " and resid 898 and name HD3 )) 3.800 1.800 1.800 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.69909E-03 ppm1 1.536 ppm2 3.130 CV 1 OR { 2042} ( segid " " and resid 894 and name HB% ) (( segid " " and resid 898 and name HD2 )) ASSI { 2043} ( segid " " and resid 856 and name HD1%) (( segid " " and resid 843 and name HB2 )) 3.600 1.600 1.600 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.14848E-02 ppm1 0.827 ppm2 3.012 CV 1 ASSI { 2044} ( segid " " and resid 856 and name HD2%) (( segid " " and resid 843 and name HB3 )) 3.200 1.300 1.300 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.98369E-03 ppm1 0.957 ppm2 2.578 CV 1 ASSI { 2045} ( segid " " and resid 856 and name HD1%) (( segid " " and resid 843 and name HB3 )) 2.700 0.900 0.900 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.21900E-02 ppm1 0.826 ppm2 2.580 CV 1 ASSI { 2047} ( segid " " and resid 856 and name HD1%) (( segid " " and resid 847 and name HG2 )) 2.700 0.900 0.900 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.23942E-02 ppm1 0.827 ppm2 2.216 CV 1 ASSI { 2048} ( segid " " and resid 856 and name HD1%) (( segid " " and resid 847 and name HB2 )) 3.000 1.100 1.100 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.12868E-02 ppm1 0.825 ppm2 2.092 CV 1 ASSI { 2049} ( segid " " and resid 856 and name HD1%) (( segid " " and resid 856 and name HB2 )) 2.300 0.600 0.600 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.67493E-02 ppm1 0.826 ppm2 1.988 CV 1 ASSI { 2051} (( segid " " and resid 856 and name HB3 )) (( segid " " and resid 856 and name HB2 )) 2.100 0.600 0.600 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.29850E-02 ppm1 1.384 ppm2 1.985 CV 1 ASSI { 2052} (( segid " " and resid 890 and name HB2 )) (( segid " " and resid 890 and name HB3 )) 2.100 0.600 0.600 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.32913E-02 ppm1 1.312 ppm2 2.096 CV 1 ASSI { 2053} (( segid " " and resid 897 and name HB2 )) (( segid " " and resid 897 and name HB3 )) 2.000 0.500 0.500 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.36284E-02 ppm1 1.308 ppm2 1.994 CV 1 ASSI { 2054} (( segid " " and resid 856 and name HB2 )) (( segid " " and resid 856 and name HG )) 2.900 1.100 1.100 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.11290E-02 ppm1 1.981 ppm2 1.792 CV 1 ASSI { 2055} (( segid " " and resid 856 and name HB2 )) ( segid " " and resid 844 and name HB% ) 2.900 1.000 1.000 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.14260E-02 ppm1 1.985 ppm2 1.537 CV 1 ASSI { 2059} (( segid " " and resid 863 and name HB3 )) (( segid " " and resid 863 and name HB2 )) 2.000 0.500 0.500 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.41697E-02 ppm1 1.405 ppm2 1.617 CV 1 ASSI { 2061} ( segid " " and resid 856 and name HD1%) ( segid " " and resid 844 and name HB% ) 2.800 1.000 1.000 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.49493E-02 ppm1 0.827 ppm2 1.537 CV 1 ASSI { 2063} ( segid " " and resid 897 and name HD2%) (( segid " " and resid 897 and name HB2 )) 2.500 0.800 0.800 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.40491E-02 ppm1 0.815 ppm2 1.305 CV 1 ASSI { 2064} ( segid " " and resid 856 and name HD1%) (( segid " " and resid 856 and name HG )) 2.200 0.600 0.600 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.75815E-02 ppm1 0.827 ppm2 1.791 CV 1 ASSI { 2065} (( segid " " and resid 856 and name HB3 )) ( segid " " and resid 856 and name HD2%) 3.000 1.100 1.100 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.13641E-02 ppm1 1.391 ppm2 0.960 CV 1 ASSI { 2066} (( segid " " and resid 856 and name HB3 )) ( segid " " and resid 856 and name HD1%) 2.900 1.100 1.100 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.18714E-02 ppm1 1.384 ppm2 0.823 CV 1 ASSI { 2067} (( segid " " and resid 856 and name HB3 )) ( segid " " and resid 840 and name HG2%) 2.700 0.900 0.900 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.17106E-02 ppm1 1.387 ppm2 0.786 CV 1 ASSI { 2068} (( segid " " and resid 863 and name HB3 )) ( segid " " and resid 863 and name HD2%) 2.600 0.900 0.900 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.26571E-02 ppm1 1.403 ppm2 0.683 CV 1 ASSI { 2072} ( segid " " and resid 856 and name HD1%) ( segid " " and resid 856 and name HD2%) 2.200 0.600 0.600 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.11723E-01 ppm1 0.827 ppm2 0.957 CV 1 ASSI { 2074} (( segid " " and resid 797 and name HA )) (( segid " " and resid 797 and name HB3 )) 2.700 0.900 0.900 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.35295E-02 ppm1 3.861 ppm2 1.140 CV 1 ASSI { 2075} (( segid " " and resid 797 and name HA )) (( segid " " and resid 797 and name HG3 )) 2.700 0.900 0.900 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.35356E-02 ppm1 3.860 ppm2 1.054 CV 1 OR { 2075} (( segid " " and resid 797 and name HA )) (( segid " " and resid 797 and name HG2 )) ASSI { 2077} (( segid " " and resid 857 and name HA )) ( segid " " and resid 860 and name HB% ) 2.500 0.800 0.800 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.40244E-02 ppm1 3.875 ppm2 1.462 CV 1 ASSI { 2078} (( segid " " and resid 857 and name HB2 )) (( segid " " and resid 857 and name HG )) 2.800 1.000 1.000 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.13456E-02 ppm1 1.798 ppm2 1.709 CV 1 ASSI { 2080} (( segid " " and resid 857 and name HB2 )) ( segid " " and resid 857 and name HD1%) 2.700 0.900 0.900 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.41450E-02 ppm1 1.798 ppm2 0.794 CV 1 OR { 2080} (( segid " " and resid 857 and name HB2 )) ( segid " " and resid 857 and name HD2%) ASSI { 2081} ( segid " " and resid 857 and name HD2%) (( segid " " and resid 841 and name HG3 )) 2.700 0.900 0.900 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.42347E-02 ppm1 0.789 ppm2 1.127 CV 1 ASSI { 2083} ( segid " " and resid 857 and name HD2%) (( segid " " and resid 857 and name HG )) 2.100 0.600 0.600 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.93139E-02 ppm1 0.789 ppm2 1.709 CV 1 ASSI { 2084} ( segid " " and resid 857 and name HD2%) (( segid " " and resid 841 and name HG2 )) 2.700 0.900 0.900 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.27561E-02 ppm1 0.789 ppm2 1.606 CV 1 ASSI { 2085} ( segid " " and resid 857 and name HD2%) ( segid " " and resid 844 and name HB% ) 2.200 0.600 0.600 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.11921E-01 ppm1 0.789 ppm2 1.537 CV 1 ASSI { 2086} ( segid " " and resid 857 and name HD2%) ( segid " " and resid 860 and name HB% ) 2.900 1.000 1.000 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.39347E-02 ppm1 0.789 ppm2 1.461 CV 1 ASSI { 2087} ( segid " " and resid 857 and name HD2%) (( segid " " and resid 857 and name HB3 )) 2.300 0.700 0.700 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.65766E-02 ppm1 0.789 ppm2 1.384 CV 1 ASSI { 2088} (( segid " " and resid 857 and name HG )) ( segid " " and resid 857 and name HD1%) 2.300 0.700 0.700 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.56824E-02 ppm1 1.709 ppm2 0.793 CV 1 OR { 2088} (( segid " " and resid 857 and name HG )) ( segid " " and resid 857 and name HD2%) ASSI { 2090} (( segid " " and resid 857 and name HG )) (( segid " " and resid 857 and name HB3 )) 3.300 1.400 1.400 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.12992E-02 ppm1 1.708 ppm2 1.383 CV 1 ASSI { 2091} ( segid " " and resid 857 and name HD2%) (( segid " " and resid 841 and name HE2 )) 3.400 1.400 1.400 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.10022E-02 ppm1 0.790 ppm2 2.831 CV 1 ASSI { 2094} (( segid " " and resid 857 and name HG )) (( segid " " and resid 857 and name HA )) 3.200 1.300 1.300 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.11909E-02 ppm1 1.710 ppm2 3.882 CV 1 ASSI { 2095} ( segid " " and resid 857 and name HD2%) (( segid " " and resid 857 and name HA )) 2.000 0.500 0.500 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.12748E-01 ppm1 0.789 ppm2 3.876 CV 1 ASSI { 2096} (( segid " " and resid 857 and name HB2 )) (( segid " " and resid 857 and name H )) 2.600 0.800 0.800 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.23602E-02 ppm1 1.799 ppm2 8.257 CV 1 ASSI { 2097} ( segid " " and resid 857 and name HD2%) (( segid " " and resid 857 and name H )) 3.100 1.200 1.200 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.42718E-02 ppm1 0.789 ppm2 8.259 CV 1 ASSI { 2098} (( segid " " and resid 857 and name HG )) (( segid " " and resid 857 and name H )) 2.600 0.800 0.800 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.24065E-02 ppm1 1.710 ppm2 8.263 CV 1 ASSI { 2099} ( segid " " and resid 857 and name HD2%) (( segid " " and resid 844 and name H )) 2.900 2.900 3.100 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.94655E-03 ppm1 0.789 ppm2 8.793 CV 1 ASSI { 2100} (( segid " " and resid 858 and name HA )) (( segid " " and resid 859 and name H )) 3.400 1.400 1.400 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.10641E-02 ppm1 4.198 ppm2 7.782 CV 1 ASSI { 2101} (( segid " " and resid 858 and name HA )) (( segid " " and resid 858 and name H )) 2.600 0.900 0.900 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.39254E-02 ppm1 4.199 ppm2 8.237 CV 1 ASSI { 2102} (( segid " " and resid 858 and name HA )) (( segid " " and resid 861 and name H )) 3.100 1.200 1.200 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.13920E-02 ppm1 4.198 ppm2 7.704 CV 1 ASSI { 2103} (( segid " " and resid 858 and name HB3 )) (( segid " " and resid 858 and name HA )) 2.600 0.800 0.800 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.46616E-02 ppm1 3.925 ppm2 4.199 CV 1 OR { 2103} (( segid " " and resid 858 and name HB2 )) (( segid " " and resid 858 and name HA )) ASSI { 2105} (( segid " " and resid 853 and name HB2 )) (( segid " " and resid 847 and name HB3 )) 3.000 1.100 1.100 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.13332E-02 ppm1 3.928 ppm2 1.988 CV 1 OR { 2105} (( segid " " and resid 853 and name HB3 )) (( segid " " and resid 847 and name HB3 )) ASSI { 2106} (( segid " " and resid 858 and name HA )) (( segid " " and resid 861 and name HB3 )) 2.800 1.000 1.000 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.20911E-02 ppm1 4.198 ppm2 1.992 CV 1 ASSI { 2107} (( segid " " and resid 858 and name HA )) (( segid " " and resid 861 and name HB2 )) 3.300 1.300 1.300 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.14786E-02 ppm1 4.199 ppm2 1.893 CV 1 ASSI { 2109} (( segid " " and resid 858 and name HB3 )) ( segid " " and resid 859 and name HB% ) 3.900 1.900 1.900 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.83830E-03 ppm1 3.948 ppm2 1.453 CV 1 OR { 2109} (( segid " " and resid 858 and name HB2 )) ( segid " " and resid 859 and name HB% ) ASSI { 2111} (( segid " " and resid 858 and name HB2 )) (( segid " " and resid 857 and name HB3 )) 4.100 2.100 1.900 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.78876E-03 ppm1 3.939 ppm2 1.394 CV 1 ASSI { 2112} (( segid " " and resid 859 and name HA )) (( segid " " and resid 859 and name H )) 2.700 0.900 0.900 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.36624E-02 ppm1 4.046 ppm2 7.783 CV 1 ASSI { 2113} (( segid " " and resid 859 and name HA )) (( segid " " and resid 862 and name H )) 3.100 1.200 1.200 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.14569E-02 ppm1 4.046 ppm2 7.995 CV 1 ASSI { 2114} ( segid " " and resid 868 and name HB% ) (( segid " " and resid 869 and name H )) 2.300 0.700 0.700 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.83860E-02 ppm1 1.490 ppm2 7.574 CV 1 ASSI { 2115} ( segid " " and resid 868 and name HB% ) (( segid " " and resid 865 and name HA )) 2.400 0.700 0.700 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.81015E-02 ppm1 1.490 ppm2 4.351 CV 1 ASSI { 2116} ( segid " " and resid 868 and name HB% ) (( segid " " and resid 867 and name HB )) 3.900 1.900 1.900 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.98986E-03 ppm1 1.490 ppm2 4.275 CV 1 ASSI { 2117} ( segid " " and resid 868 and name HB% ) (( segid " " and resid 868 and name HA )) 2.000 0.500 0.500 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.18309E-01 ppm1 1.490 ppm2 4.005 CV 1 ASSI { 2119} ( segid " " and resid 868 and name HB% ) (( segid " " and resid 871 and name HB )) 3.900 1.900 1.900 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.11909E-02 ppm1 1.491 ppm2 2.113 CV 1 ASSI { 2123} (( segid " " and resid 859 and name HA )) (( segid " " and resid 862 and name HG12)) 4.400 2.400 1.600 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.80733E-03 ppm1 4.045 ppm2 1.201 CV 1 ASSI { 2124} (( segid " " and resid 860 and name HA )) (( segid " " and resid 860 and name H )) 2.600 0.900 0.900 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.34521E-02 ppm1 3.842 ppm2 8.254 CV 1 ASSI { 2126} (( segid " " and resid 860 and name HA )) (( segid " " and resid 861 and name H )) 3.300 1.400 1.400 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.11662E-02 ppm1 3.843 ppm2 7.704 CV 1 ASSI { 2127} (( segid " " and resid 874 and name HA )) (( segid " " and resid 878 and name H )) 3.000 1.100 1.100 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.15312E-02 ppm1 3.843 ppm2 7.988 CV 1 ASSI { 2128} (( segid " " and resid 860 and name HA )) (( segid " " and resid 863 and name H )) 3.300 1.400 1.400 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.12435E-02 ppm1 3.842 ppm2 7.885 CV 1 ASSI { 2130} ( segid " " and resid 860 and name HB% ) (( segid " " and resid 840 and name HB )) 2.400 0.700 0.700 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.45348E-02 ppm1 1.465 ppm2 1.609 CV 1 ASSI { 2132} (( segid " " and resid 861 and name HG2 )) (( segid " " and resid 861 and name HA )) 3.200 1.200 1.200 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.17972E-02 ppm1 1.432 ppm2 3.978 CV 1 ASSI { 2133} (( segid " " and resid 861 and name HG3 )) (( segid " " and resid 861 and name HA )) 3.000 1.100 1.100 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.15095E-02 ppm1 1.342 ppm2 3.979 CV 1 ASSI { 2134} (( segid " " and resid 862 and name HA )) (( segid " " and resid 862 and name HG12)) 2.600 0.900 0.900 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.27499E-02 ppm1 3.795 ppm2 1.201 CV 1 ASSI { 2140} ( segid " " and resid 862 and name HD1%) ( segid " " and resid 862 and name HG2%) 2.200 0.600 0.600 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.10629E-01 ppm1 0.767 ppm2 0.911 CV 1 ASSI { 2141} ( segid " " and resid 862 and name HD1%) (( segid " " and resid 862 and name HG12)) 2.200 0.600 0.600 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.10836E-01 ppm1 0.766 ppm2 1.201 CV 1 ASSI { 2142} ( segid " " and resid 909 and name HD1%) (( segid " " and resid 909 and name HG13)) 2.200 0.600 0.600 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.95090E-02 ppm1 0.755 ppm2 1.403 CV 1 ASSI { 2143} ( segid " " and resid 862 and name HD1%) (( segid " " and resid 862 and name HG13)) 2.100 0.600 0.600 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.11346E-01 ppm1 0.766 ppm2 1.633 CV 1 ASSI { 2144} ( segid " " and resid 862 and name HD1%) (( segid " " and resid 862 and name HB )) 2.400 0.700 0.700 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.61899E-02 ppm1 0.766 ppm2 1.860 CV 1 ASSI { 2146} (( segid " " and resid 862 and name HA )) (( segid " " and resid 862 and name HB )) 2.900 1.100 1.100 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.23416E-02 ppm1 3.796 ppm2 1.859 CV 1 ASSI { 2147} (( segid " " and resid 862 and name HA )) (( segid " " and resid 862 and name HG13)) 2.900 1.100 1.100 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.25210E-02 ppm1 3.796 ppm2 1.634 CV 1 ASSI { 2150} (( segid " " and resid 862 and name HG13)) (( segid " " and resid 862 and name HG12)) 1.800 0.400 0.400 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.91564E-02 ppm1 1.635 ppm2 1.202 CV 1 ASSI { 2151} (( segid " " and resid 862 and name HG13)) (( segid " " and resid 862 and name HB )) 2.700 0.900 0.900 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.21065E-02 ppm1 1.631 ppm2 1.860 CV 1 ASSI { 2154} (( segid " " and resid 862 and name HG12)) (( segid " " and resid 862 and name HB )) 3.300 1.400 1.400 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.13827E-02 ppm1 1.201 ppm2 1.859 CV 1 ASSI { 2156} ( segid " " and resid 862 and name HG2%) (( segid " " and resid 862 and name HB )) 2.100 0.500 0.500 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.12550E-01 ppm1 0.911 ppm2 1.858 CV 1 ASSI { 2157} ( segid " " and resid 862 and name HG2%) (( segid " " and resid 862 and name HG13)) 3.100 1.200 1.200 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.50792E-02 ppm1 0.911 ppm2 1.632 CV 1 ASSI { 2158} ( segid " " and resid 862 and name HG2%) (( segid " " and resid 862 and name HG12)) 2.400 0.700 0.700 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.59172E-02 ppm1 0.911 ppm2 1.202 CV 1 ASSI { 2159} ( segid " " and resid 862 and name HG2%) ( segid " " and resid 900 and name HB% ) 2.000 0.500 0.500 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.14956E-01 ppm1 0.911 ppm2 1.391 CV 1 ASSI { 2161} ( segid " " and resid 862 and name HG2%) (( segid " " and resid 865 and name HB2 )) 4.100 2.100 1.900 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.79805E-03 ppm1 0.910 ppm2 2.715 CV 1 ASSI { 2162} ( segid " " and resid 862 and name HG2%) (( segid " " and resid 865 and name HB3 )) 3.800 1.800 1.800 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.58463E-03 ppm1 0.910 ppm2 2.568 CV 1 ASSI { 2163} (( segid " " and resid 862 and name HA )) (( segid " " and resid 865 and name HB2 )) 3.200 1.300 1.300 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.20973E-02 ppm1 3.795 ppm2 2.716 CV 1 ASSI { 2165} (( segid " " and resid 862 and name HB )) (( segid " " and resid 859 and name HA )) 2.900 1.000 1.000 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.17786E-02 ppm1 1.858 ppm2 4.047 CV 1 ASSI { 2167} ( segid " " and resid 862 and name HD1%) (( segid " " and resid 859 and name HA )) 2.500 0.800 0.800 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.53143E-02 ppm1 0.761 ppm2 4.043 CV 1 ASSI { 2168} ( segid " " and resid 862 and name HD1%) (( segid " " and resid 858 and name HB3 )) 2.900 1.000 1.000 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.16487E-02 ppm1 0.764 ppm2 3.932 CV 1 ASSI { 2169} ( segid " " and resid 862 and name HD1%) (( segid " " and resid 862 and name HA )) 3.600 1.600 1.600 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.30376E-02 ppm1 0.766 ppm2 3.796 CV 1 ASSI { 2173} ( segid " " and resid 862 and name HG2%) (( segid " " and resid 900 and name HA )) 2.600 0.900 0.900 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.55401E-02 ppm1 0.911 ppm2 4.063 CV 1 ASSI { 2174} ( segid " " and resid 862 and name HG2%) (( segid " " and resid 863 and name HA )) 3.000 1.200 1.200 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.19642E-02 ppm1 0.911 ppm2 3.904 CV 1 ASSI { 2175} ( segid " " and resid 862 and name HG2%) (( segid " " and resid 862 and name HA )) 2.400 0.700 0.700 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.75568E-02 ppm1 0.911 ppm2 3.796 CV 1 ASSI { 2176} (( segid " " and resid 862 and name HA )) (( segid " " and resid 866 and name H )) 3.500 1.600 1.600 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.68052E-03 ppm1 3.793 ppm2 8.358 CV 1 ASSI { 2177} (( segid " " and resid 862 and name HA )) (( segid " " and resid 862 and name H )) 2.700 0.900 0.900 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.31645E-02 ppm1 3.796 ppm2 7.997 CV 1 ASSI { 2178} (( segid " " and resid 862 and name HA )) (( segid " " and resid 863 and name H )) 3.400 1.400 1.400 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.96818E-03 ppm1 3.795 ppm2 7.883 CV 1 ASSI { 2181} ( segid " " and resid 862 and name HD1%) (( segid " " and resid 862 and name H )) 3.500 1.500 1.500 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.31149E-02 ppm1 0.766 ppm2 7.996 CV 1 ASSI { 2183} ( segid " " and resid 909 and name HD1%) (( segid " " and resid 910 and name H )) 2.800 2.800 3.200 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.11878E-02 ppm1 0.753 ppm2 8.375 CV 1 ASSI { 2184} (( segid " " and resid 862 and name HG13)) (( segid " " and resid 862 and name H )) 2.400 0.700 0.700 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.25582E-02 ppm1 1.634 ppm2 7.997 CV 1 ASSI { 2185} (( segid " " and resid 862 and name HG12)) (( segid " " and resid 862 and name H )) 3.900 1.900 1.900 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.16425E-02 ppm1 1.200 ppm2 7.997 CV 1 ASSI { 2186} ( segid " " and resid 862 and name HG2%) (( segid " " and resid 900 and name H )) 4.200 2.200 1.800 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.10734E-02 ppm1 0.911 ppm2 8.059 CV 1 ASSI { 2187} ( segid " " and resid 862 and name HG2%) (( segid " " and resid 862 and name H )) 3.300 1.400 1.400 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.40832E-02 ppm1 0.911 ppm2 7.997 CV 1 ASSI { 2188} ( segid " " and resid 862 and name HG2%) (( segid " " and resid 863 and name H )) 2.900 1.100 1.100 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.32758E-02 ppm1 0.911 ppm2 7.886 CV 1 ASSI { 2189} ( segid " " and resid 862 and name HG2%) (( segid " " and resid 904 and name H )) 3.800 3.800 2.200 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.69909E-03 ppm1 0.911 ppm2 7.714 CV 1 ASSI { 2190} ( segid " " and resid 862 and name HG2%) (( segid " " and resid 865 and name H )) 4.000 2.000 2.000 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.59701E-03 ppm1 0.911 ppm2 8.618 CV 1 ASSI { 2191} ( segid " " and resid 862 and name HG2%) (( segid " " and resid 864 and name H )) 4.100 2.100 1.900 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.54751E-03 ppm1 0.910 ppm2 8.510 CV 1 ASSI { 2192} ( segid " " and resid 862 and name HG2%) (( segid " " and resid 901 and name H )) 5.100 3.200 0.900 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.47018E-03 ppm1 0.911 ppm2 8.437 CV 1 ASSI { 2193} ( segid " " and resid 862 and name HG2%) (( segid " " and resid 866 and name H )) 3.500 1.500 1.500 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.90324E-03 ppm1 0.911 ppm2 8.359 CV 1 ASSI { 2194} (( segid " " and resid 863 and name HG )) (( segid " " and resid 863 and name HB2 )) 3.100 1.200 1.200 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.17167E-02 ppm1 1.362 ppm2 1.615 CV 1 ASSI { 2196} (( segid " " and resid 863 and name HB2 )) ( segid " " and resid 833 and name HG2%) 4.900 3.000 1.100 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.55370E-03 ppm1 1.619 ppm2 1.102 CV 1 ASSI { 2199} ( segid " " and resid 863 and name HD1%) ( segid " " and resid 897 and name HD2%) 2.300 0.700 0.700 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.62886E-02 ppm1 0.697 ppm2 0.812 CV 1 ASSI { 2201} ( segid " " and resid 863 and name HD1%) ( segid " " and resid 837 and name HG2%) 3.800 1.800 1.800 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.14353E-02 ppm1 0.698 ppm2 0.996 CV 1 ASSI { 2202} ( segid " " and resid 863 and name HD1%) (( segid " " and resid 863 and name HB2 )) 2.500 0.800 0.800 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.31613E-02 ppm1 0.698 ppm2 1.616 CV 1 ASSI { 2203} ( segid " " and resid 863 and name HD1%) (( segid " " and resid 863 and name HG )) 2.000 0.500 0.500 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.13713E-01 ppm1 0.698 ppm2 1.378 CV 1 ASSI { 2204} ( segid " " and resid 863 and name HD1%) ( segid " " and resid 904 and name HB% ) 3.000 1.100 1.100 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.33408E-02 ppm1 0.698 ppm2 1.301 CV 1 ASSI { 2205} ( segid " " and resid 863 and name HD2%) ( segid " " and resid 897 and name HD2%) 3.900 1.900 1.900 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.12126E-02 ppm1 0.668 ppm2 0.824 CV 1 ASSI { 2206} ( segid " " and resid 863 and name HD2%) (( segid " " and resid 836 and name HB2 )) 2.800 1.000 1.000 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.14012E-02 ppm1 0.672 ppm2 1.903 CV 1 ASSI { 2207} ( segid " " and resid 863 and name HD2%) (( segid " " and resid 863 and name HB2 )) 2.400 0.700 0.700 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.54535E-02 ppm1 0.673 ppm2 1.617 CV 1 ASSI { 2208} ( segid " " and resid 863 and name HD2%) (( segid " " and resid 836 and name HB3 )) 2.100 0.600 0.600 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.10545E-01 ppm1 0.672 ppm2 1.384 CV 1 ASSI { 2209} ( segid " " and resid 863 and name HD2%) ( segid " " and resid 904 and name HB% ) 2.500 0.800 0.800 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.48812E-02 ppm1 0.672 ppm2 1.301 CV 1 ASSI { 2210} ( segid " " and resid 863 and name HD2%) (( segid " " and resid 836 and name HG )) 3.600 1.700 1.700 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.16332E-02 ppm1 0.671 ppm2 1.231 CV 1 ASSI { 2211} ( segid " " and resid 863 and name HD2%) ( segid " " and resid 802 and name HG2%) 3.800 1.800 1.800 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.69909E-03 ppm1 0.672 ppm2 1.167 CV 1 ASSI { 2212} ( segid " " and resid 863 and name HD2%) ( segid " " and resid 833 and name HG2%) 2.500 0.800 0.800 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.61000E-02 ppm1 0.672 ppm2 1.098 CV 1 ASSI { 2213} ( segid " " and resid 863 and name HD2%) ( segid " " and resid 837 and name HG2%) 2.500 0.800 0.800 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.52957E-02 ppm1 0.673 ppm2 0.994 CV 1 ASSI { 2216} (( segid " " and resid 782 and name HG13)) (( segid " " and resid 782 and name HG12)) 1.900 0.500 0.500 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.82778E-02 ppm1 1.340 ppm2 1.058 CV 1 ASSI { 2217} ( segid " " and resid 863 and name HD2%) ( segid " " and resid 840 and name HD1%) 2.600 0.900 0.900 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.31087E-02 ppm1 0.672 ppm2 0.315 CV 1 ASSI { 2218} ( segid " " and resid 863 and name HD2%) (( segid " " and resid 901 and name HB )) 3.700 1.700 1.700 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.13796E-02 ppm1 0.672 ppm2 4.124 CV 1 ASSI { 2219} ( segid " " and resid 863 and name HD2%) (( segid " " and resid 833 and name HB )) 4.200 2.200 1.800 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.11847E-02 ppm1 0.672 ppm2 4.057 CV 1 ASSI { 2220} ( segid " " and resid 863 and name HD2%) (( segid " " and resid 863 and name HA )) 3.400 1.400 1.400 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.34861E-02 ppm1 0.672 ppm2 3.907 CV 1 ASSI { 2222} ( segid " " and resid 863 and name HD2%) (( segid " " and resid 901 and name HA )) 2.800 1.000 1.000 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.28675E-02 ppm1 0.672 ppm2 3.699 CV 1 ASSI { 2224} ( segid " " and resid 863 and name HD1%) (( segid " " and resid 901 and name HB )) 3.100 1.200 1.200 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.29602E-02 ppm1 0.698 ppm2 4.125 CV 1 ASSI { 2225} ( segid " " and resid 863 and name HD1%) (( segid " " and resid 833 and name HB )) 3.900 1.900 1.900 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.12559E-02 ppm1 0.697 ppm2 4.060 CV 1 ASSI { 2226} ( segid " " and resid 863 and name HD1%) (( segid " " and resid 863 and name HA )) 2.300 0.600 0.600 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.66477E-02 ppm1 0.698 ppm2 3.904 CV 1 ASSI { 2227} ( segid " " and resid 863 and name HD1%) (( segid " " and resid 833 and name HA )) 3.200 1.300 1.300 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.13672E-02 ppm1 0.698 ppm2 3.847 CV 1 ASSI { 2228} ( segid " " and resid 863 and name HD1%) (( segid " " and resid 901 and name HA )) 2.500 0.800 0.800 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.37460E-02 ppm1 0.698 ppm2 3.699 CV 1 ASSI { 2230} (( segid " " and resid 863 and name HB2 )) (( segid " " and resid 860 and name HA )) 3.800 1.800 1.800 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.11662E-02 ppm1 1.617 ppm2 3.843 CV 1 ASSI { 2233} (( segid " " and resid 863 and name HG )) (( segid " " and resid 863 and name H )) 4.000 2.000 2.000 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.90636E-03 ppm1 1.359 ppm2 7.886 CV 1 ASSI { 2234} ( segid " " and resid 863 and name HD2%) (( segid " " and resid 863 and name H )) 3.900 1.900 1.900 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.18869E-02 ppm1 0.673 ppm2 7.885 CV 1 ASSI { 2235} ( segid " " and resid 863 and name HD2%) (( segid " " and resid 904 and name H )) 3.900 1.900 1.900 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.65889E-03 ppm1 0.673 ppm2 7.722 CV 1 ASSI { 2236} ( segid " " and resid 863 and name HD2%) (( segid " " and resid 836 and name H )) 4.400 2.400 1.600 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.59701E-03 ppm1 0.673 ppm2 7.596 CV 1 ASSI { 2237} ( segid " " and resid 863 and name HD1%) (( segid " " and resid 901 and name H )) 3.200 1.300 1.300 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.14229E-02 ppm1 0.698 ppm2 8.444 CV 1 ASSI { 2238} ( segid " " and resid 863 and name HD1%) (( segid " " and resid 866 and name H )) 4.100 2.100 1.900 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.42996E-03 ppm1 0.696 ppm2 8.360 CV 1 ASSI { 2239} ( segid " " and resid 863 and name HD1%) (( segid " " and resid 900 and name H )) 4.300 2.300 1.700 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.59084E-03 ppm1 0.698 ppm2 8.059 CV 1 ASSI { 2241} ( segid " " and resid 863 and name HD1%) (( segid " " and resid 863 and name H )) 3.800 1.800 1.800 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.19147E-02 ppm1 0.697 ppm2 7.887 CV 1 ASSI { 2242} ( segid " " and resid 863 and name HD1%) (( segid " " and resid 904 and name H )) 4.000 2.000 2.000 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.64032E-03 ppm1 0.699 ppm2 7.725 CV 1 ASSI { 2243} ( segid " " and resid 863 and name HD2%) (( segid " " and resid 864 and name H )) 3.800 1.800 1.800 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.11136E-02 ppm1 0.673 ppm2 8.509 CV 1 ASSI { 2244} ( segid " " and resid 863 and name HD2%) (( segid " " and resid 901 and name H )) 4.000 2.000 2.000 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.77642E-03 ppm1 0.673 ppm2 8.440 CV 1 ASSI { 2248} (( segid " " and resid 864 and name HA )) (( segid " " and resid 864 and name H )) 2.600 0.900 0.900 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.33902E-02 ppm1 3.925 ppm2 8.509 CV 1 ASSI { 2249} ( segid " " and resid 864 and name HB% ) (( segid " " and resid 865 and name H )) 2.200 0.600 0.600 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.82931E-02 ppm1 1.487 ppm2 8.620 CV 1 ASSI { 2250} ( segid " " and resid 864 and name HB% ) (( segid " " and resid 864 and name H )) 2.000 0.500 0.500 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.14601E-01 ppm1 1.487 ppm2 8.511 CV 1 ASSI { 2251} ( segid " " and resid 864 and name HB% ) (( segid " " and resid 866 and name H )) 4.100 2.100 1.900 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.83830E-03 ppm1 1.487 ppm2 8.358 CV 1 ASSI { 2252} (( segid " " and resid 864 and name HA )) (( segid " " and resid 866 and name H )) 4.000 2.000 2.000 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.38666E-03 ppm1 3.923 ppm2 8.361 CV 1 ASSI { 2253} (( segid " " and resid 864 and name HA )) (( segid " " and resid 868 and name H )) 3.600 1.700 1.700 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.83830E-03 ppm1 3.924 ppm2 7.964 CV 1 ASSI { 2254} ( segid " " and resid 868 and name HB% ) (( segid " " and resid 868 and name H )) 2.000 0.500 0.500 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.17861E-01 ppm1 1.490 ppm2 7.962 CV 1 ASSI { 2255} ( segid " " and resid 864 and name HB% ) (( segid " " and resid 863 and name H )) 3.800 1.800 1.800 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.12930E-02 ppm1 1.486 ppm2 7.885 CV 1 ASSI { 2256} (( segid " " and resid 864 and name HA )) (( segid " " and resid 865 and name HA )) 3.000 3.000 3.000 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.22674E-02 ppm1 3.924 ppm2 4.342 CV 1 ASSI { 2257} (( segid " " and resid 864 and name HA )) (( segid " " and resid 867 and name HB )) 2.800 1.000 1.000 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.21436E-02 ppm1 3.924 ppm2 4.280 CV 1 ASSI { 2258} ( segid " " and resid 864 and name HB% ) (( segid " " and resid 864 and name HA )) 2.000 0.500 0.500 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.14585E-01 ppm1 1.487 ppm2 3.924 CV 1 ASSI { 2260} (( segid " " and resid 864 and name HA )) ( segid " " and resid 866 and name HB% ) 3.700 1.700 1.700 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.81973E-03 ppm1 3.924 ppm2 1.380 CV 1 ASSI { 2262} (( segid " " and resid 864 and name HA )) ( segid " " and resid 837 and name HG2%) 3.000 1.100 1.100 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.18343E-02 ppm1 3.925 ppm2 0.994 CV 1 ASSI { 2265} ( segid " " and resid 864 and name HB% ) ( segid " " and resid 837 and name HG1%) 2.600 0.800 0.800 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.53359E-02 ppm1 1.486 ppm2 0.848 CV 1 ASSI { 2266} (( segid " " and resid 864 and name HA )) ( segid " " and resid 837 and name HG1%) 4.300 2.400 1.700 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.59701E-03 ppm1 3.923 ppm2 0.847 CV 1 ASSI { 2267} ( segid " " and resid 864 and name HB% ) ( segid " " and resid 863 and name HD2%) 3.100 1.200 1.200 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.70837E-03 ppm1 1.485 ppm2 0.680 CV 1 ASSI { 2268} (( segid " " and resid 865 and name HA )) (( segid " " and resid 865 and name H )) 2.600 0.800 0.800 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.43708E-02 ppm1 4.350 ppm2 8.620 CV 1 ASSI { 2270} (( segid " " and resid 865 and name HB3 )) (( segid " " and resid 865 and name H )) 2.900 1.000 1.000 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.26788E-02 ppm1 2.566 ppm2 8.620 CV 1 ASSI { 2271} (( segid " " and resid 865 and name HB2 )) (( segid " " and resid 865 and name H )) 2.500 0.800 0.800 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.37089E-02 ppm1 2.717 ppm2 8.620 CV 1 ASSI { 2272} (( segid " " and resid 865 and name HB2 )) (( segid " " and resid 866 and name H )) 3.500 1.500 1.500 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.18838E-02 ppm1 2.717 ppm2 8.360 CV 1 ASSI { 2276} (( segid " " and resid 865 and name HB3 )) (( segid " " and resid 862 and name HA )) 3.100 1.200 1.200 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.12156E-02 ppm1 2.576 ppm2 3.795 CV 1 ASSI { 2277} (( segid " " and resid 865 and name HA )) (( segid " " and resid 865 and name HB2 )) 2.700 0.900 0.900 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.28830E-02 ppm1 4.350 ppm2 2.717 CV 1 ASSI { 2278} (( segid " " and resid 865 and name HA )) (( segid " " and resid 865 and name HB3 )) 2.800 1.000 1.000 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.39904E-02 ppm1 4.350 ppm2 2.570 CV 1 ASSI { 2279} (( segid " " and resid 865 and name HB3 )) (( segid " " and resid 865 and name HB2 )) 1.900 0.500 0.500 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.10753E-01 ppm1 2.568 ppm2 2.716 CV 1 ASSI { 2283} (( segid " " and resid 865 and name HB2 )) ( segid " " and resid 864 and name HB% ) 4.100 2.100 1.900 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.69597E-03 ppm1 2.720 ppm2 1.488 CV 1 ASSI { 2284} ( segid " " and resid 866 and name HB% ) (( segid " " and resid 865 and name H )) 3.800 1.800 1.800 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.12497E-02 ppm1 1.365 ppm2 8.620 CV 1 ASSI { 2285} ( segid " " and resid 866 and name HB% ) (( segid " " and resid 867 and name H )) 2.600 0.800 0.800 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.41233E-02 ppm1 1.366 ppm2 8.474 CV 1 ASSI { 2286} ( segid " " and resid 866 and name HB% ) (( segid " " and resid 866 and name H )) 2.100 0.600 0.600 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.10341E-01 ppm1 1.366 ppm2 8.360 CV 1 ASSI { 2287} (( segid " " and resid 900 and name HA )) (( segid " " and resid 901 and name H )) 3.400 1.400 1.400 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.12744E-02 ppm1 4.071 ppm2 8.450 CV 1 ASSI { 2288} (( segid " " and resid 866 and name HA )) (( segid " " and resid 866 and name H )) 2.700 0.900 0.900 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.34181E-02 ppm1 4.076 ppm2 8.360 CV 1 ASSI { 2289} ( segid " " and resid 873 and name HB% ) (( segid " " and resid 874 and name H )) 2.500 0.800 0.800 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.48967E-02 ppm1 1.353 ppm2 8.865 CV 1 ASSI { 2290} ( segid " " and resid 873 and name HB% ) (( segid " " and resid 873 and name H )) 2.200 0.600 0.600 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.10161E-01 ppm1 1.353 ppm2 8.133 CV 1 ASSI { 2291} ( segid " " and resid 866 and name HB% ) (( segid " " and resid 897 and name H )) 3.500 1.500 1.500 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.19457E-02 ppm1 1.366 ppm2 8.073 CV 1 ASSI { 2294} (( segid " " and resid 900 and name HA )) (( segid " " and resid 900 and name H )) 2.600 0.800 0.800 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.42626E-02 ppm1 4.068 ppm2 8.057 CV 1 ASSI { 2295} (( segid " " and resid 903 and name HA )) (( segid " " and resid 903 and name H )) 2.400 0.700 0.700 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.62827E-02 ppm1 4.075 ppm2 7.897 CV 1 ASSI { 2296} (( segid " " and resid 900 and name HA )) (( segid " " and resid 902 and name H )) 3.600 1.600 1.600 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.89084E-03 ppm1 4.073 ppm2 7.967 CV 1 ASSI { 2297} (( segid " " and resid 903 and name HA )) (( segid " " and resid 906 and name H )) 2.900 1.100 1.100 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.19426E-02 ppm1 4.077 ppm2 7.826 CV 1 ASSI { 2298} (( segid " " and resid 903 and name HA )) (( segid " " and resid 904 and name H )) 3.100 1.200 1.200 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.23293E-02 ppm1 4.075 ppm2 7.723 CV 1 ASSI { 2299} ( segid " " and resid 873 and name HB% ) (( segid " " and resid 890 and name H )) 3.200 1.300 1.300 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.14538E-02 ppm1 1.353 ppm2 7.837 CV 1 ASSI { 2300} ( segid " " and resid 873 and name HB% ) (( segid " " and resid 872 and name H )) 4.000 2.000 2.000 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.97129E-03 ppm1 1.353 ppm2 7.786 CV 1 ASSI { 2301} ( segid " " and resid 866 and name HB% ) (( segid " " and resid 869 and name H )) 3.900 1.900 1.900 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.64960E-03 ppm1 1.367 ppm2 7.574 CV 1 ASSI { 2302} (( segid " " and resid 866 and name HA )) (( segid " " and resid 869 and name H )) 3.100 1.200 1.200 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.14415E-02 ppm1 4.077 ppm2 7.574 CV 1 ASSI { 2303} ( segid " " and resid 866 and name HB% ) (( segid " " and resid 865 and name HA )) 3.600 1.600 1.600 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.15281E-02 ppm1 1.366 ppm2 4.344 CV 1 ASSI { 2304} ( segid " " and resid 873 and name HB% ) (( segid " " and resid 870 and name HA )) 2.600 0.800 0.800 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.47513E-02 ppm1 1.353 ppm2 4.178 CV 1 ASSI { 2306} ( segid " " and resid 873 and name HB% ) (( segid " " and resid 890 and name HA )) 2.200 0.600 0.600 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.73188E-02 ppm1 1.353 ppm2 3.986 CV 1 ASSI { 2307} ( segid " " and resid 866 and name HB% ) (( segid " " and resid 863 and name HA )) 2.400 0.700 0.700 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.45224E-02 ppm1 1.366 ppm2 3.904 CV 1 ASSI { 2309} ( segid " " and resid 866 and name HB% ) (( segid " " and resid 865 and name HB2 )) 3.000 1.100 1.100 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.78876E-03 ppm1 1.367 ppm2 2.718 CV 1 ASSI { 2310} ( segid " " and resid 866 and name HB% ) (( segid " " and resid 865 and name HB3 )) 3.700 1.700 1.700 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.85993E-03 ppm1 1.365 ppm2 2.571 CV 1 ASSI { 2311} (( segid " " and resid 903 and name HA )) (( segid " " and resid 906 and name HG3 )) 3.300 1.400 1.400 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.12992E-02 ppm1 4.077 ppm2 2.403 CV 1 OR { 2311} (( segid " " and resid 903 and name HA )) (( segid " " and resid 906 and name HG2 )) ASSI { 2312} ( segid " " and resid 893 and name HB% ) (( segid " " and resid 870 and name HB3 )) 4.000 2.000 2.000 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.14755E-02 ppm1 1.410 ppm2 2.407 CV 1 ASSI { 2313} (( segid " " and resid 903 and name HA )) (( segid " " and resid 906 and name HB2 )) 3.000 1.200 1.200 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.12744E-02 ppm1 4.075 ppm2 2.102 CV 1 ASSI { 2314} (( segid " " and resid 903 and name HA )) (( segid " " and resid 906 and name HB3 )) 3.700 1.700 1.700 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.18931E-02 ppm1 4.076 ppm2 2.030 CV 1 ASSI { 2315} ( segid " " and resid 873 and name HB% ) (( segid " " and resid 890 and name HB3 )) 4.000 2.000 2.000 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.13889E-02 ppm1 1.353 ppm2 2.100 CV 1 ASSI { 2316} ( segid " " and resid 873 and name HB% ) (( segid " " and resid 872 and name HB2 )) 3.400 1.400 1.400 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.16456E-02 ppm1 1.355 ppm2 2.011 CV 1 OR { 2316} ( segid " " and resid 873 and name HB% ) (( segid " " and resid 872 and name HB3 )) ASSI { 2317} ( segid " " and resid 866 and name HB% ) (( segid " " and resid 897 and name HB3 )) 4.200 2.200 1.800 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.13827E-02 ppm1 1.365 ppm2 1.996 CV 1 ASSI { 2318} ( segid " " and resid 873 and name HB% ) (( segid " " and resid 889 and name HB3 )) 3.000 1.100 1.100 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.21684E-02 ppm1 1.353 ppm2 1.951 CV 1 ASSI { 2319} ( segid " " and resid 873 and name HB% ) (( segid " " and resid 889 and name HB2 )) 2.800 1.000 1.000 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.19797E-02 ppm1 1.355 ppm2 1.849 CV 1 ASSI { 2322} (( segid " " and resid 900 and name HA )) (( segid " " and resid 863 and name HB2 )) 3.700 1.700 1.700 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.70220E-03 ppm1 4.071 ppm2 1.612 CV 1 ASSI { 2324} ( segid " " and resid 866 and name HB% ) ( segid " " and resid 862 and name HG2%) 2.900 1.100 1.100 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.20045E-02 ppm1 1.367 ppm2 0.909 CV 1 ASSI { 2325} ( segid " " and resid 866 and name HB% ) ( segid " " and resid 897 and name HD2%) 2.400 0.700 0.700 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.61123E-02 ppm1 1.366 ppm2 0.815 CV 1 ASSI { 2327} ( segid " " and resid 873 and name HB% ) ( segid " " and resid 890 and name HD2%) 4.000 2.000 2.000 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.10981E-02 ppm1 1.353 ppm2 0.514 CV 1 ASSI { 2328} ( segid " " and resid 867 and name HG2%) (( segid " " and resid 867 and name H )) 3.300 1.400 1.400 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.28737E-02 ppm1 1.111 ppm2 8.474 CV 1 ASSI { 2331} ( segid " " and resid 867 and name HG2%) (( segid " " and resid 830 and name H )) 3.700 1.700 1.700 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.10579E-02 ppm1 1.111 ppm2 8.178 CV 1 ASSI { 2333} ( segid " " and resid 867 and name HG2%) (( segid " " and resid 871 and name H )) 3.400 1.400 1.400 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.13456E-02 ppm1 1.111 ppm2 8.857 CV 1 ASSI { 2334} ( segid " " and resid 867 and name HG2%) (( segid " " and resid 833 and name H )) 2.700 2.700 3.300 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.14538E-02 ppm1 1.111 ppm2 8.711 CV 1 ASSI { 2336} ( segid " " and resid 867 and name HG2%) (( segid " " and resid 867 and name HB )) 2.300 0.700 0.700 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.65019E-02 ppm1 1.111 ppm2 4.281 CV 1 ASSI { 2337} ( segid " " and resid 804 and name HG2%) (( segid " " and resid 832 and name HA )) 2.600 2.600 3.400 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.76344E-02 ppm1 1.111 ppm2 4.208 CV 1 ASSI { 2338} ( segid " " and resid 867 and name HG2%) (( segid " " and resid 867 and name HA )) 2.400 0.700 0.700 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.51627E-02 ppm1 1.111 ppm2 3.720 CV 1 ASSI { 2339} ( segid " " and resid 867 and name HG2%) (( segid " " and resid 833 and name HB )) 2.600 0.800 0.800 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.42595E-02 ppm1 1.112 ppm2 4.049 CV 1 ASSI { 2341} ( segid " " and resid 867 and name HG2%) (( segid " " and resid 870 and name HB3 )) 3.600 1.700 1.700 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.71143E-03 ppm1 1.111 ppm2 2.406 CV 1 ASSI { 2343} ( segid " " and resid 867 and name HG2%) (( segid " " and resid 829 and name HB2 )) 3.400 1.500 1.500 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.74857E-03 ppm1 1.109 ppm2 2.025 CV 1 ASSI { 2344} ( segid " " and resid 867 and name HG2%) ( segid " " and resid 868 and name HB% ) 3.500 1.500 1.500 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.18498E-02 ppm1 1.111 ppm2 1.487 CV 1 ASSI { 2345} ( segid " " and resid 867 and name HG2%) ( segid " " and resid 830 and name HB% ) 2.800 1.000 1.000 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.73311E-02 ppm1 1.111 ppm2 1.395 CV 1 ASSI { 2348} ( segid " " and resid 867 and name HG2%) ( segid " " and resid 897 and name HD2%) 3.100 1.200 1.200 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.26819E-02 ppm1 1.110 ppm2 0.827 CV 1 ASSI { 2349} ( segid " " and resid 867 and name HG2%) ( segid " " and resid 829 and name HD1%) 2.900 1.000 1.000 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.35325E-02 ppm1 1.111 ppm2 0.755 CV 1 ASSI { 2350} (( segid " " and resid 868 and name HA )) (( segid " " and resid 868 and name H )) 2.600 0.800 0.800 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.42378E-02 ppm1 4.004 ppm2 7.962 CV 1 ASSI { 2351} (( segid " " and resid 868 and name HA )) (( segid " " and resid 872 and name H )) 3.500 1.500 1.500 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.90013E-03 ppm1 4.003 ppm2 7.788 CV 1 ASSI { 2352} (( segid " " and resid 868 and name HA )) (( segid " " and resid 869 and name H )) 3.400 1.500 1.500 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.11600E-02 ppm1 4.005 ppm2 7.574 CV 1 ASSI { 2353} (( segid " " and resid 868 and name HA )) (( segid " " and resid 871 and name H )) 3.100 1.200 1.200 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.16271E-02 ppm1 4.004 ppm2 8.857 CV 1 ASSI { 2354} ( segid " " and resid 868 and name HB% ) (( segid " " and resid 871 and name H )) 3.900 1.900 1.900 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.94038E-03 ppm1 1.490 ppm2 8.857 CV 1 ASSI { 2355} (( segid " " and resid 868 and name HA )) (( segid " " and resid 871 and name HB )) 2.600 0.800 0.800 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.32047E-02 ppm1 4.003 ppm2 2.112 CV 1 ASSI { 2357} (( segid " " and resid 868 and name HA )) ( segid " " and resid 867 and name HG2%) 3.200 1.300 1.300 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.12930E-02 ppm1 4.004 ppm2 1.110 CV 1 ASSI { 2359} (( segid " " and resid 868 and name HA )) ( segid " " and resid 871 and name HG1%) 3.700 1.700 1.700 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.13084E-02 ppm1 4.003 ppm2 0.846 CV 1 ASSI { 2361} (( segid " " and resid 869 and name HA )) (( segid " " and resid 869 and name HG2 )) 2.800 1.000 1.000 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.23323E-02 ppm1 4.026 ppm2 1.366 CV 1 ASSI { 2362} (( segid " " and resid 869 and name HB2 )) (( segid " " and resid 869 and name HG2 )) 2.900 1.000 1.000 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.22704E-02 ppm1 1.853 ppm2 1.370 CV 1 OR { 2362} (( segid " " and resid 869 and name HB3 )) (( segid " " and resid 869 and name HG2 )) ASSI { 2363} (( segid " " and resid 869 and name HB2 )) (( segid " " and resid 869 and name HG2 )) 3.100 1.200 1.200 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.21993E-02 ppm1 1.871 ppm2 1.366 CV 1 ASSI { 2364} (( segid " " and resid 875 and name HB3 )) (( segid " " and resid 875 and name HG2 )) 2.700 0.900 0.900 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.23045E-02 ppm1 1.818 ppm2 1.258 CV 1 OR { 2364} (( segid " " and resid 875 and name HB2 )) (( segid " " and resid 875 and name HG2 )) ASSI { 2365} (( segid " " and resid 869 and name HG2 )) (( segid " " and resid 869 and name HB3 )) 2.700 0.900 0.900 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.22272E-02 ppm1 1.367 ppm2 1.849 CV 1 ASSI { 2367} (( segid " " and resid 869 and name HG2 )) (( segid " " and resid 869 and name HG3 )) 2.100 0.600 0.600 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.49833E-02 ppm1 1.355 ppm2 1.556 CV 1 ASSI { 2369} (( segid " " and resid 869 and name HG3 )) (( segid " " and resid 869 and name HB3 )) 2.900 1.100 1.100 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.17601E-02 ppm1 1.554 ppm2 1.854 CV 1 OR { 2369} (( segid " " and resid 869 and name HG3 )) (( segid " " and resid 869 and name HB2 )) ASSI { 2370} (( segid " " and resid 869 and name HG3 )) (( segid " " and resid 869 and name HD3 )) 2.400 0.700 0.700 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.57350E-02 ppm1 1.553 ppm2 1.695 CV 1 OR { 2370} (( segid " " and resid 869 and name HG3 )) (( segid " " and resid 869 and name HD2 )) ASSI { 2372} (( segid " " and resid 794 and name HB2 )) (( segid " " and resid 794 and name HB3 )) 1.700 0.400 0.500 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.16927E-01 ppm1 1.850 ppm2 2.167 CV 1 ASSI { 2374} (( segid " " and resid 869 and name HG2 )) (( segid " " and resid 869 and name HE3 )) 3.100 1.200 1.200 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.16951E-02 ppm1 1.366 ppm2 2.890 CV 1 OR { 2374} (( segid " " and resid 869 and name HG2 )) (( segid " " and resid 869 and name HE2 )) ASSI { 2375} (( segid " " and resid 869 and name HG3 )) (( segid " " and resid 869 and name HE3 )) 3.300 1.400 1.400 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.14631E-02 ppm1 1.555 ppm2 2.891 CV 1 OR { 2375} (( segid " " and resid 869 and name HG3 )) (( segid " " and resid 869 and name HE2 )) ASSI { 2376} (( segid " " and resid 794 and name HB2 )) (( segid " " and resid 794 and name HD3 )) 3.800 1.800 1.800 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.15714E-02 ppm1 1.852 ppm2 3.513 CV 1 OR { 2376} (( segid " " and resid 794 and name HB2 )) (( segid " " and resid 794 and name HD2 )) ASSI { 2377} (( segid " " and resid 869 and name HB3 )) (( segid " " and resid 869 and name HA )) 2.700 0.900 0.900 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.32387E-02 ppm1 1.848 ppm2 4.026 CV 1 OR { 2377} (( segid " " and resid 869 and name HB2 )) (( segid " " and resid 869 and name HA )) ASSI { 2381} (( segid " " and resid 861 and name HB2 )) (( segid " " and resid 862 and name H )) 3.700 1.700 1.700 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.15838E-02 ppm1 1.894 ppm2 7.995 CV 1 ASSI { 2382} (( segid " " and resid 875 and name HB2 )) (( segid " " and resid 875 and name H )) 2.600 0.800 0.800 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.36377E-02 ppm1 1.819 ppm2 7.966 CV 1 OR { 2382} (( segid " " and resid 875 and name HB3 )) (( segid " " and resid 875 and name H )) ASSI { 2383} (( segid " " and resid 869 and name HB2 )) (( segid " " and resid 870 and name H )) 3.000 1.100 1.100 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.16116E-02 ppm1 1.844 ppm2 7.722 CV 1 OR { 2383} (( segid " " and resid 869 and name HB3 )) (( segid " " and resid 870 and name H )) ASSI { 2385} (( segid " " and resid 869 and name HB2 )) (( segid " " and resid 869 and name H )) 2.500 0.800 0.800 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.40182E-02 ppm1 1.848 ppm2 7.575 CV 1 OR { 2385} (( segid " " and resid 869 and name HB3 )) (( segid " " and resid 869 and name H )) ASSI { 2386} (( segid " " and resid 869 and name HG3 )) (( segid " " and resid 869 and name H )) 3.000 1.100 1.100 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.16456E-02 ppm1 1.555 ppm2 7.573 CV 1 ASSI { 2389} (( segid " " and resid 870 and name HA )) (( segid " " and resid 870 and name HB2 )) 2.600 0.800 0.800 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.19952E-02 ppm1 4.179 ppm2 1.718 CV 1 ASSI { 2391} (( segid " " and resid 870 and name HA )) ( segid " " and resid 870 and name HE% ) 3.800 1.800 1.800 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.64649E-03 ppm1 4.179 ppm2 1.950 CV 1 ASSI { 2392} (( segid " " and resid 870 and name HA )) (( segid " " and resid 870 and name HG3 )) 3.300 1.300 1.300 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.11909E-02 ppm1 4.180 ppm2 2.116 CV 1 ASSI { 2393} (( segid " " and resid 870 and name HA )) (( segid " " and resid 870 and name HG2 )) 3.700 1.700 1.700 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.83207E-03 ppm1 4.178 ppm2 2.589 CV 1 ASSI { 2394} (( segid " " and resid 870 and name HA )) (( segid " " and resid 870 and name HB3 )) 3.300 1.300 1.300 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.13487E-02 ppm1 4.179 ppm2 2.408 CV 1 ASSI { 2397} (( segid " " and resid 870 and name HB3 )) (( segid " " and resid 870 and name HB2 )) 2.300 0.600 0.600 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.17075E-02 ppm1 2.405 ppm2 1.717 CV 1 ASSI { 2399} (( segid " " and resid 870 and name HB2 )) ( segid " " and resid 893 and name HB% ) 3.800 1.800 1.800 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.67435E-03 ppm1 1.713 ppm2 1.408 CV 1 ASSI { 2402} (( segid " " and resid 870 and name HB2 )) (( segid " " and resid 870 and name HG3 )) 3.300 1.300 1.300 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.13517E-02 ppm1 1.714 ppm2 2.113 CV 1 ASSI { 2403} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 870 and name HG3 )) 2.400 0.700 0.700 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.58432E-02 ppm1 1.948 ppm2 2.119 CV 1 ASSI { 2404} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 870 and name HG2 )) 2.300 0.600 0.600 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.68175E-02 ppm1 1.950 ppm2 2.590 CV 1 ASSI { 2405} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 870 and name HB3 )) 3.300 1.400 1.400 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.31768E-02 ppm1 1.950 ppm2 2.409 CV 1 ASSI { 2406} (( segid " " and resid 870 and name HG2 )) (( segid " " and resid 870 and name HB3 )) 3.200 1.300 1.300 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.77331E-03 ppm1 2.591 ppm2 2.409 CV 1 ASSI { 2407} (( segid " " and resid 870 and name HG3 )) (( segid " " and resid 870 and name HB3 )) 2.900 1.100 1.100 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.10579E-02 ppm1 2.120 ppm2 2.409 CV 1 ASSI { 2410} (( segid " " and resid 870 and name HG2 )) (( segid " " and resid 870 and name HG3 )) 2.100 0.500 0.500 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.43615E-02 ppm1 2.592 ppm2 2.118 CV 1 ASSI { 2411} (( segid " " and resid 870 and name HG2 )) (( segid " " and resid 870 and name HB2 )) 2.900 1.000 1.000 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.10517E-02 ppm1 2.591 ppm2 1.719 CV 1 ASSI { 2414} ( segid " " and resid 870 and name HE% ) ( segid " " and resid 874 and name HB% ) 2.400 0.700 0.700 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.63321E-02 ppm1 1.949 ppm2 1.310 CV 1 ASSI { 2415} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 812 and name HG12)) 2.100 0.600 0.600 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.67834E-02 ppm1 1.949 ppm2 0.863 CV 1 ASSI { 2416} ( segid " " and resid 870 and name HE% ) ( segid " " and resid 829 and name HD1%) 2.400 0.700 0.700 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.57380E-02 ppm1 1.949 ppm2 0.759 CV 1 ASSI { 2417} ( segid " " and resid 870 and name HE% ) ( segid " " and resid 890 and name HD1%) 1.900 0.500 0.500 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.19073E-01 ppm1 1.949 ppm2 0.692 CV 1 ASSI { 2418} ( segid " " and resid 870 and name HE% ) ( segid " " and resid 812 and name HD1%) 2.100 0.600 0.600 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.11421E-01 ppm1 1.949 ppm2 0.637 CV 1 ASSI { 2419} ( segid " " and resid 870 and name HE% ) ( segid " " and resid 812 and name HG2%) 2.100 0.600 0.600 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.13681E-01 ppm1 1.949 ppm2 0.496 CV 1 ASSI { 2423} (( segid " " and resid 870 and name HG3 )) ( segid " " and resid 890 and name HD1%) 4.000 2.000 2.000 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.50420E-03 ppm1 2.122 ppm2 0.696 CV 1 ASSI { 2424} (( segid " " and resid 870 and name HG2 )) ( segid " " and resid 897 and name HD1%) 3.200 1.300 1.300 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.13208E-02 ppm1 2.593 ppm2 0.862 CV 1 ASSI { 2427} (( segid " " and resid 870 and name HB2 )) ( segid " " and resid 897 and name HD1%) 4.700 2.800 1.300 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.55370E-03 ppm1 1.719 ppm2 0.860 CV 1 ASSI { 2429} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 871 and name HA )) 3.200 1.300 1.300 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.14601E-02 ppm1 1.949 ppm2 3.370 CV 1 ASSI { 2430} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 809 and name HA )) 2.800 1.000 1.000 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.32077E-02 ppm1 1.949 ppm2 3.568 CV 1 ASSI { 2431} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 826 and name HA )) 2.700 0.900 0.900 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.36656E-02 ppm1 1.949 ppm2 3.868 CV 1 ASSI { 2435} (( segid " " and resid 870 and name HB3 )) (( segid " " and resid 867 and name HA )) 3.200 1.200 1.200 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.50730E-03 ppm1 2.402 ppm2 3.723 CV 1 ASSI { 2438} ( segid " " and resid 870 and name HE% ) ( segid " " and resid 813 and name HD% ) 3.400 1.500 1.500 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.12559E-02 ppm1 1.949 ppm2 7.329 CV 1 ASSI { 2439} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 813 and name H )) 3.000 3.000 3.000 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.77331E-03 ppm1 1.950 ppm2 7.274 CV 1 ASSI { 2440} ( segid " " and resid 870 and name HE% ) ( segid " " and resid 813 and name HE% ) 3.000 1.100 1.100 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.33902E-02 ppm1 1.950 ppm2 7.120 CV 1 ASSI { 2441} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 813 and name HZ )) 3.700 1.700 1.700 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.26571E-02 ppm1 1.950 ppm2 7.025 CV 1 ASSI { 2442} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 870 and name H )) 4.000 2.000 2.000 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.14043E-02 ppm1 1.950 ppm2 7.722 CV 1 ASSI { 2443} (( segid " " and resid 870 and name HG2 )) (( segid " " and resid 870 and name H )) 4.800 2.900 1.200 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.47327E-03 ppm1 2.595 ppm2 7.721 CV 1 ASSI { 2444} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 812 and name H )) 2.600 2.600 3.400 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.18900E-02 ppm1 1.949 ppm2 8.066 CV 1 ASSI { 2446} (( segid " " and resid 870 and name HA )) (( segid " " and resid 870 and name H )) 2.800 1.000 1.000 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.21622E-02 ppm1 4.179 ppm2 7.723 CV 1 ASSI { 2447} (( segid " " and resid 870 and name HA )) (( segid " " and resid 873 and name H )) 3.200 1.300 1.300 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.10765E-02 ppm1 4.178 ppm2 8.132 CV 1 ASSI { 2448} (( segid " " and resid 870 and name HG3 )) (( segid " " and resid 870 and name H )) 4.500 2.500 1.500 peak 2448 spectrum 1 weight 0.10000E+01 volume 0.50420E-03 ppm1 2.118 ppm2 7.720 CV 1 ASSI { 2449} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 894 and name H )) 3.200 1.300 1.300 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.27561E-02 ppm1 1.949 ppm2 8.615 CV 1 ASSI { 2453} (( segid " " and resid 870 and name HB2 )) (( segid " " and resid 871 and name H )) 4.300 2.300 1.700 peak 2453 spectrum 1 weight 0.10000E+01 volume 0.56298E-03 ppm1 1.711 ppm2 8.858 CV 1 ASSI { 2455} (( segid " " and resid 871 and name HA )) (( segid " " and resid 873 and name H )) 4.000 2.000 2.000 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.38666E-03 ppm1 3.376 ppm2 8.132 CV 1 ASSI { 2456} (( segid " " and resid 871 and name HA )) (( segid " " and resid 875 and name H )) 3.700 1.700 1.700 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.55061E-03 ppm1 3.375 ppm2 7.963 CV 1 ASSI { 2457} (( segid " " and resid 871 and name HA )) (( segid " " and resid 872 and name H )) 3.400 1.400 1.400 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.94038E-03 ppm1 3.371 ppm2 7.786 CV 1 ASSI { 2462} (( segid " " and resid 871 and name HA )) (( segid " " and resid 871 and name HB )) 2.900 1.100 1.100 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.20045E-02 ppm1 3.371 ppm2 2.113 CV 1 ASSI { 2469} ( segid " " and resid 782 and name HG2%) (( segid " " and resid 782 and name HB )) 2.300 0.700 0.700 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.76220E-02 ppm1 0.766 ppm2 1.704 CV 1 ASSI { 2470} (( segid " " and resid 782 and name HB )) (( segid " " and resid 782 and name HG12)) 3.700 1.700 1.700 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.75785E-03 ppm1 1.706 ppm2 1.062 CV 1 ASSI { 2472} (( segid " " and resid 782 and name HA )) ( segid " " and resid 782 and name HG2%) 2.900 1.000 1.000 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.27437E-02 ppm1 4.110 ppm2 0.762 CV 1 ASSI { 2473} (( segid " " and resid 782 and name HA )) (( segid " " and resid 782 and name HB )) 2.700 0.900 0.900 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.28675E-02 ppm1 4.110 ppm2 1.707 CV 1 ASSI { 2474} (( segid " " and resid 782 and name HA )) (( segid " " and resid 782 and name HG13)) 3.600 1.600 1.600 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.65266E-03 ppm1 4.111 ppm2 1.323 CV 1 ASSI { 2475} (( segid " " and resid 782 and name HA )) (( segid " " and resid 782 and name HG12)) 3.300 1.400 1.400 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.94344E-03 ppm1 4.110 ppm2 1.058 CV 1 ASSI { 2478} (( segid " " and resid 782 and name HA )) (( segid " " and resid 783 and name H )) 2.300 0.700 0.700 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.77548E-02 ppm1 4.110 ppm2 8.399 CV 1 ASSI { 2479} (( segid " " and resid 783 and name HB2 )) (( segid " " and resid 784 and name HD3 )) 4.200 2.200 1.800 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.88467E-03 ppm1 2.678 ppm2 3.665 CV 1 ASSI { 2480} (( segid " " and resid 783 and name HB3 )) (( segid " " and resid 783 and name H )) 3.300 1.300 1.300 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.14322E-02 ppm1 2.480 ppm2 8.399 CV 1 ASSI { 2481} (( segid " " and resid 783 and name HB2 )) (( segid " " and resid 783 and name H )) 3.300 1.400 1.400 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.10795E-02 ppm1 2.687 ppm2 8.400 CV 1 ASSI { 2482} (( segid " " and resid 784 and name HA )) (( segid " " and resid 784 and name HB2 )) 3.100 1.200 1.200 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.24406E-02 ppm1 4.244 ppm2 1.560 CV 1 ASSI { 2483} (( segid " " and resid 784 and name HA )) (( segid " " and resid 784 and name HB3 )) 2.200 0.600 0.600 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.71113E-02 ppm1 4.243 ppm2 2.074 CV 1 ASSI { 2484} (( segid " " and resid 784 and name HA )) (( segid " " and resid 784 and name HG2 )) 4.000 2.000 2.000 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.97441E-03 ppm1 4.244 ppm2 1.821 CV 1 ASSI { 2485} (( segid " " and resid 784 and name HB3 )) (( segid " " and resid 784 and name HB2 )) 1.900 0.400 0.400 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.10947E-01 ppm1 2.074 ppm2 1.560 CV 1 ASSI { 2486} (( segid " " and resid 784 and name HB2 )) (( segid " " and resid 784 and name HG3 )) 3.400 1.400 1.400 peak 2486 spectrum 1 weight 0.10000E+01 volume 0.15219E-02 ppm1 1.550 ppm2 1.655 CV 1 ASSI { 2489} (( segid " " and resid 784 and name HD2 )) (( segid " " and resid 784 and name HB3 )) 4.100 2.100 1.900 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.89707E-03 ppm1 3.785 ppm2 2.073 CV 1 ASSI { 2490} (( segid " " and resid 784 and name HD3 )) (( segid " " and resid 784 and name HB3 )) 4.100 2.100 1.900 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.42069E-03 ppm1 3.665 ppm2 2.073 CV 1 ASSI { 2491} (( segid " " and resid 784 and name HD2 )) (( segid " " and resid 784 and name HG2 )) 2.500 0.800 0.800 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.30438E-02 ppm1 3.784 ppm2 1.820 CV 1 ASSI { 2492} (( segid " " and resid 784 and name HD3 )) (( segid " " and resid 784 and name HG2 )) 3.400 1.500 1.500 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.15095E-02 ppm1 3.665 ppm2 1.819 CV 1 ASSI { 2493} (( segid " " and resid 784 and name HD2 )) (( segid " " and resid 784 and name HG3 )) 3.300 1.400 1.400 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.16271E-02 ppm1 3.784 ppm2 1.654 CV 1 ASSI { 2494} (( segid " " and resid 784 and name HD3 )) (( segid " " and resid 784 and name HG3 )) 2.500 0.800 0.800 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.32510E-02 ppm1 3.667 ppm2 1.652 CV 1 ASSI { 2495} (( segid " " and resid 784 and name HD2 )) (( segid " " and resid 784 and name HB2 )) 4.300 2.300 1.700 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.48255E-03 ppm1 3.782 ppm2 1.558 CV 1 ASSI { 2496} (( segid " " and resid 784 and name HD3 )) (( segid " " and resid 784 and name HB2 )) 4.100 2.100 1.900 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.88779E-03 ppm1 3.666 ppm2 1.560 CV 1 ASSI { 2497} (( segid " " and resid 784 and name HD2 )) (( segid " " and resid 783 and name HB3 )) 4.100 2.100 1.900 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.39904E-03 ppm1 3.783 ppm2 2.487 CV 1 ASSI { 2498} (( segid " " and resid 784 and name HD3 )) (( segid " " and resid 783 and name HB3 )) 4.400 2.400 1.600 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.64960E-03 ppm1 3.665 ppm2 2.489 CV 1 ASSI { 2499} (( segid " " and resid 784 and name HG2 )) (( segid " " and resid 784 and name HB3 )) 3.400 1.400 1.400 peak 2499 spectrum 1 weight 0.10000E+01 volume 0.17291E-02 ppm1 1.823 ppm2 2.064 CV 1 ASSI { 2500} (( segid " " and resid 784 and name HG2 )) (( segid " " and resid 784 and name HB2 )) 3.000 1.200 1.200 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.99603E-03 ppm1 1.823 ppm2 1.571 CV 1 ASSI { 2501} (( segid " " and resid 784 and name HD2 )) (( segid " " and resid 783 and name HB2 )) 4.100 2.100 1.900 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.38666E-03 ppm1 3.782 ppm2 2.681 CV 1 ASSI { 2505} (( segid " " and resid 784 and name HA )) (( segid " " and resid 784 and name HD2 )) 4.000 2.000 2.000 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.53204E-03 ppm1 4.243 ppm2 3.783 CV 1 ASSI { 2506} (( segid " " and resid 784 and name HD3 )) (( segid " " and resid 784 and name HD2 )) 1.500 0.300 0.700 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.39266E-01 ppm1 3.666 ppm2 3.783 CV 1 ASSI { 2515} (( segid " " and resid 784 and name HD3 )) (( segid " " and resid 784 and name HA )) 3.900 1.900 1.900 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.43306E-03 ppm1 3.667 ppm2 4.245 CV 1 ASSI { 2519} (( segid " " and resid 784 and name HD3 )) (( segid " " and resid 785 and name H )) 2.900 2.900 3.100 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.10765E-02 ppm1 3.665 ppm2 8.207 CV 1 ASSI { 2520} (( segid " " and resid 784 and name HB2 )) (( segid " " and resid 785 and name H )) 3.900 1.900 1.900 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.52895E-03 ppm1 1.556 ppm2 8.206 CV 1 ASSI { 2521} (( segid " " and resid 784 and name HA )) (( segid " " and resid 785 and name H )) 2.400 0.700 0.700 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.57442E-02 ppm1 4.243 ppm2 8.208 CV 1 ASSI { 2522} (( segid " " and resid 786 and name HA )) (( segid " " and resid 787 and name H )) 2.500 0.800 0.800 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.54658E-02 ppm1 4.133 ppm2 8.052 CV 1 ASSI { 2523} (( segid " " and resid 786 and name HA )) (( segid " " and resid 786 and name H )) 3.000 1.100 1.100 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.20632E-02 ppm1 4.136 ppm2 7.706 CV 1 ASSI { 2524} (( segid " " and resid 786 and name HB )) (( segid " " and resid 787 and name H )) 3.800 1.800 1.800 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.81045E-03 ppm1 4.053 ppm2 8.052 CV 1 ASSI { 2525} (( segid " " and resid 786 and name HB )) (( segid " " and resid 786 and name H )) 3.300 1.300 1.300 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.13920E-02 ppm1 4.053 ppm2 7.702 CV 1 ASSI { 2526} ( segid " " and resid 786 and name HG2%) (( segid " " and resid 787 and name H )) 3.800 1.800 1.800 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.78876E-03 ppm1 1.076 ppm2 8.052 CV 1 ASSI { 2527} ( segid " " and resid 786 and name HG2%) (( segid " " and resid 786 and name H )) 3.200 1.300 1.300 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.16271E-02 ppm1 1.077 ppm2 7.702 CV 1 ASSI { 2528} (( segid " " and resid 786 and name HA )) (( segid " " and resid 786 and name HB )) 2.600 0.800 0.800 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.45007E-02 ppm1 4.132 ppm2 4.048 CV 1 ASSI { 2530} ( segid " " and resid 786 and name HG2%) (( segid " " and resid 786 and name HA )) 2.700 0.900 0.900 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.47451E-02 ppm1 1.076 ppm2 4.134 CV 1 ASSI { 2531} ( segid " " and resid 786 and name HG2%) (( segid " " and resid 786 and name HB )) 2.400 0.700 0.700 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.75133E-02 ppm1 1.076 ppm2 4.049 CV 1 ASSI { 2534} (( segid " " and resid 787 and name HA )) (( segid " " and resid 788 and name H )) 3.000 1.100 1.100 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.16951E-02 ppm1 4.117 ppm2 8.184 CV 1 ASSI { 2535} (( segid " " and resid 787 and name HA )) (( segid " " and resid 787 and name H )) 3.100 1.200 1.200 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.17044E-02 ppm1 4.117 ppm2 8.053 CV 1 ASSI { 2536} ( segid " " and resid 787 and name HB% ) (( segid " " and resid 788 and name H )) 3.900 1.900 1.900 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.69909E-03 ppm1 1.230 ppm2 8.186 CV 1 ASSI { 2537} ( segid " " and resid 787 and name HB% ) (( segid " " and resid 787 and name H )) 2.700 0.900 0.900 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.45409E-02 ppm1 1.229 ppm2 8.053 CV 1 ASSI { 2538} ( segid " " and resid 787 and name HB% ) (( segid " " and resid 787 and name HA )) 2.300 0.600 0.600 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.10563E-01 ppm1 1.229 ppm2 4.117 CV 1 ASSI { 2541} (( segid " " and resid 789 and name HA )) (( segid " " and resid 789 and name H )) 3.700 1.700 1.700 peak 2541 spectrum 1 weight 0.10000E+01 volume 0.57226E-03 ppm1 4.288 ppm2 8.247 CV 1 ASSI { 2542} ( segid " " and resid 789 and name HB% ) (( segid " " and resid 789 and name H )) 3.100 1.200 1.200 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.19271E-02 ppm1 1.296 ppm2 8.246 CV 1 ASSI { 2543} ( segid " " and resid 792 and name HB% ) (( segid " " and resid 792 and name H )) 2.500 0.800 0.800 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.62422E-02 ppm1 1.290 ppm2 8.128 CV 1 ASSI { 2547} (( segid " " and resid 790 and name HA )) ( segid " " and resid 790 and name HG2%) 2.700 0.900 0.900 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.43708E-02 ppm1 4.248 ppm2 1.128 CV 1 ASSI { 2550} ( segid " " and resid 790 and name HG2%) (( segid " " and resid 790 and name HB )) 2.400 0.700 0.700 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.77983E-02 ppm1 1.129 ppm2 4.158 CV 1 ASSI { 2551} (( segid " " and resid 790 and name HB )) (( segid " " and resid 790 and name HA )) 2.400 0.700 0.700 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.68580E-02 ppm1 4.160 ppm2 4.254 CV 1 ASSI { 2553} (( segid " " and resid 790 and name HA )) (( segid " " and resid 791 and name H )) 2.700 0.900 0.900 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.33624E-02 ppm1 4.248 ppm2 8.325 CV 1 ASSI { 2554} (( segid " " and resid 790 and name HA )) (( segid " " and resid 790 and name H )) 3.100 1.200 1.200 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.14445E-02 ppm1 4.249 ppm2 8.140 CV 1 ASSI { 2555} (( segid " " and resid 790 and name HB )) (( segid " " and resid 790 and name H )) 3.600 1.700 1.700 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.71454E-03 ppm1 4.162 ppm2 8.144 CV 1 ASSI { 2556} ( segid " " and resid 790 and name HG2%) (( segid " " and resid 790 and name H )) 3.400 1.400 1.400 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.11816E-02 ppm1 1.129 ppm2 8.144 CV 1 ASSI { 2557} ( segid " " and resid 790 and name HG2%) (( segid " " and resid 791 and name H )) 4.000 2.000 2.000 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.54132E-03 ppm1 1.128 ppm2 8.324 CV 1 ASSI { 2558} (( segid " " and resid 791 and name HA2 )) (( segid " " and resid 791 and name H )) 2.700 0.900 0.900 peak 2558 spectrum 1 weight 0.10000E+01 volume 0.37707E-02 ppm1 3.888 ppm2 8.325 CV 1 OR { 2558} (( segid " " and resid 791 and name HA3 )) (( segid " " and resid 791 and name H )) ASSI { 2559} (( segid " " and resid 791 and name HA3 )) (( segid " " and resid 792 and name H )) 2.600 0.800 0.800 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.50142E-02 ppm1 3.888 ppm2 8.124 CV 1 OR { 2559} (( segid " " and resid 791 and name HA2 )) (( segid " " and resid 792 and name H )) ASSI { 2560} (( segid " " and resid 793 and name HA2 )) (( segid " " and resid 794 and name HD2 )) 2.300 0.700 0.700 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.77983E-02 ppm1 4.033 ppm2 3.511 CV 1 OR { 2560} (( segid " " and resid 793 and name HA2 )) (( segid " " and resid 794 and name HD3 )) ASSI { 2562} (( segid " " and resid 793 and name HA3 )) (( segid " " and resid 794 and name HD3 )) 2.300 0.700 0.700 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.90477E-02 ppm1 3.930 ppm2 3.511 CV 1 OR { 2562} (( segid " " and resid 793 and name HA3 )) (( segid " " and resid 794 and name HD2 )) ASSI { 2564} (( segid " " and resid 793 and name HA2 )) (( segid " " and resid 793 and name HA3 )) 1.600 0.300 0.600 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.29235E-01 ppm1 4.032 ppm2 3.924 CV 1 ASSI { 2567} (( segid " " and resid 793 and name HA2 )) (( segid " " and resid 793 and name H )) 2.900 1.100 1.100 peak 2567 spectrum 1 weight 0.10000E+01 volume 0.26231E-02 ppm1 4.013 ppm2 8.151 CV 1 ASSI { 2568} (( segid " " and resid 793 and name HA3 )) (( segid " " and resid 793 and name H )) 2.700 0.900 0.900 peak 2568 spectrum 1 weight 0.10000E+01 volume 0.32480E-02 ppm1 3.931 ppm2 8.152 CV 1 ASSI { 2569} (( segid " " and resid 794 and name HA )) (( segid " " and resid 794 and name HB3 )) 2.100 0.600 0.600 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.90447E-02 ppm1 4.310 ppm2 2.167 CV 1 ASSI { 2570} (( segid " " and resid 794 and name HA )) (( segid " " and resid 794 and name HG2 )) 3.500 1.500 1.500 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.21034E-02 ppm1 4.311 ppm2 1.915 CV 1 ASSI { 2571} (( segid " " and resid 794 and name HA )) (( segid " " and resid 794 and name HB2 )) 2.700 0.900 0.900 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.45409E-02 ppm1 4.310 ppm2 1.853 CV 1 ASSI { 2572} (( segid " " and resid 794 and name HA )) ( segid " " and resid 795 and name HB% ) 3.800 1.800 1.800 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.14353E-02 ppm1 4.311 ppm2 1.314 CV 1 ASSI { 2575} (( segid " " and resid 794 and name HD3 )) (( segid " " and resid 794 and name HB3 )) 3.300 1.300 1.300 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.15497E-02 ppm1 3.513 ppm2 2.165 CV 1 OR { 2575} (( segid " " and resid 794 and name HD2 )) (( segid " " and resid 794 and name HB3 )) ASSI { 2576} (( segid " " and resid 794 and name HD2 )) (( segid " " and resid 794 and name HG2 )) 2.100 0.600 0.600 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.11757E-01 ppm1 3.513 ppm2 1.912 CV 1 OR { 2576} (( segid " " and resid 794 and name HD3 )) (( segid " " and resid 794 and name HG3 )) OR { 2576} (( segid " " and resid 794 and name HD2 )) (( segid " " and resid 794 and name HG3 )) OR { 2576} (( segid " " and resid 794 and name HD3 )) (( segid " " and resid 794 and name HG2 )) ASSI { 2578} (( segid " " and resid 794 and name HG3 )) (( segid " " and resid 794 and name HB3 )) 2.500 0.800 0.800 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.50018E-02 ppm1 1.912 ppm2 2.161 CV 1 OR { 2578} (( segid " " and resid 794 and name HG2 )) (( segid " " and resid 794 and name HB3 )) ASSI { 2579} (( segid " " and resid 794 and name HA )) (( segid " " and resid 794 and name HD3 )) 3.300 1.400 1.400 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.14260E-02 ppm1 4.310 ppm2 3.510 CV 1 OR { 2579} (( segid " " and resid 794 and name HA )) (( segid " " and resid 794 and name HD2 )) ASSI { 2586} (( segid " " and resid 794 and name HG2 )) (( segid " " and resid 794 and name HA )) 3.700 1.700 1.700 peak 2586 spectrum 1 weight 0.10000E+01 volume 0.16611E-02 ppm1 1.913 ppm2 4.311 CV 1 OR { 2586} (( segid " " and resid 794 and name HG3 )) (( segid " " and resid 794 and name HA )) ASSI { 2587} (( segid " " and resid 794 and name HG2 )) (( segid " " and resid 793 and name HA2 )) 4.900 3.000 1.100 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.57535E-03 ppm1 1.914 ppm2 4.018 CV 1 OR { 2587} (( segid " " and resid 794 and name HG3 )) (( segid " " and resid 793 and name HA2 )) ASSI { 2588} (( segid " " and resid 794 and name HG3 )) (( segid " " and resid 793 and name HA3 )) 4.800 2.900 1.200 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.58463E-03 ppm1 1.910 ppm2 3.926 CV 1 OR { 2588} (( segid " " and resid 794 and name HG2 )) (( segid " " and resid 793 and name HA3 )) ASSI { 2590} (( segid " " and resid 794 and name HA )) (( segid " " and resid 795 and name H )) 2.100 0.500 0.500 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.14823E-01 ppm1 4.310 ppm2 8.361 CV 1 ASSI { 2591} (( segid " " and resid 794 and name HB3 )) (( segid " " and resid 795 and name H )) 3.900 1.900 1.900 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.97441E-03 ppm1 2.169 ppm2 8.360 CV 1 ASSI { 2593} (( segid " " and resid 899 and name HB2 )) (( segid " " and resid 899 and name H )) 2.700 0.900 0.900 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.24406E-02 ppm1 2.094 ppm2 8.056 CV 1 ASSI { 2594} (( segid " " and resid 794 and name HB2 )) (( segid " " and resid 795 and name H )) 3.200 1.300 1.300 peak 2594 spectrum 1 weight 0.10000E+01 volume 0.11786E-02 ppm1 1.853 ppm2 8.361 CV 1 ASSI { 2595} (( segid " " and resid 794 and name HD2 )) (( segid " " and resid 795 and name H )) 3.100 3.100 2.900 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.65266E-03 ppm1 3.511 ppm2 8.360 CV 1 OR { 2595} (( segid " " and resid 794 and name HD3 )) (( segid " " and resid 795 and name H )) ASSI { 2596} (( segid " " and resid 794 and name HD2 )) (( segid " " and resid 793 and name H )) 4.600 2.600 1.400 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.64960E-03 ppm1 3.509 ppm2 8.149 CV 1 OR { 2596} (( segid " " and resid 794 and name HD3 )) (( segid " " and resid 793 and name H )) ASSI { 2597} (( segid " " and resid 794 and name HG2 )) (( segid " " and resid 795 and name H )) 4.100 2.100 1.900 peak 2597 spectrum 1 weight 0.10000E+01 volume 0.73928E-03 ppm1 1.912 ppm2 8.362 CV 1 ASSI { 2598} (( segid " " and resid 795 and name HA )) (( segid " " and resid 796 and name H )) 2.200 0.600 0.600 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.10666E-01 ppm1 4.231 ppm2 8.446 CV 1 ASSI { 2599} (( segid " " and resid 795 and name HA )) (( segid " " and resid 795 and name H )) 2.700 0.900 0.900 peak 2599 spectrum 1 weight 0.10000E+01 volume 0.33902E-02 ppm1 4.231 ppm2 8.361 CV 1 ASSI { 2600} ( segid " " and resid 795 and name HB% ) (( segid " " and resid 796 and name H )) 2.800 1.000 1.000 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.48472E-02 ppm1 1.316 ppm2 8.446 CV 1 ASSI { 2601} ( segid " " and resid 795 and name HB% ) (( segid " " and resid 795 and name H )) 2.200 0.600 0.600 peak 2601 spectrum 1 weight 0.10000E+01 volume 0.12126E-01 ppm1 1.316 ppm2 8.361 CV 1 ASSI { 2602} ( segid " " and resid 795 and name HB% ) (( segid " " and resid 795 and name HA )) 2.100 0.600 0.600 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.14501E-01 ppm1 1.316 ppm2 4.232 CV 1 ASSI { 2603} (( segid " " and resid 795 and name HA )) (( segid " " and resid 796 and name HA2 )) 4.300 2.300 1.700 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.69597E-03 ppm1 4.231 ppm2 3.773 CV 1 ASSI { 2604} ( segid " " and resid 795 and name HB% ) (( segid " " and resid 796 and name HA2 )) 4.000 2.000 2.000 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.65889E-03 ppm1 1.316 ppm2 3.771 CV 1 ASSI { 2606} (( segid " " and resid 796 and name HA3 )) (( segid " " and resid 796 and name H )) 2.800 0.900 0.900 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.26262E-02 ppm1 4.072 ppm2 8.446 CV 1 ASSI { 2607} (( segid " " and resid 796 and name HA3 )) (( segid " " and resid 797 and name H )) 2.700 0.900 0.900 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.27809E-02 ppm1 4.072 ppm2 8.136 CV 1 ASSI { 2608} (( segid " " and resid 796 and name HA2 )) (( segid " " and resid 796 and name H )) 2.800 1.000 1.000 peak 2608 spectrum 1 weight 0.10000E+01 volume 0.33346E-02 ppm1 3.777 ppm2 8.447 CV 1 ASSI { 2609} (( segid " " and resid 796 and name HA2 )) (( segid " " and resid 797 and name H )) 3.100 1.200 1.200 peak 2609 spectrum 1 weight 0.10000E+01 volume 0.24282E-02 ppm1 3.764 ppm2 8.135 CV 1 ASSI { 2610} (( segid " " and resid 796 and name HA2 )) (( segid " " and resid 798 and name H )) 3.900 1.900 1.900 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.50420E-03 ppm1 3.762 ppm2 8.365 CV 1 ASSI { 2611} (( segid " " and resid 796 and name HA2 )) (( segid " " and resid 796 and name HA3 )) 2.000 0.500 0.500 peak 2611 spectrum 1 weight 0.10000E+01 volume 0.10273E-01 ppm1 3.777 ppm2 4.067 CV 1 ASSI { 2615} (( segid " " and resid 797 and name HD2 )) (( segid " " and resid 797 and name HE )) 3.100 1.200 1.200 peak 2615 spectrum 1 weight 0.10000E+01 volume 0.11971E-02 ppm1 2.937 ppm2 7.372 CV 1 ASSI { 2616} (( segid " " and resid 797 and name HD3 )) (( segid " " and resid 797 and name HE )) 3.200 1.300 1.300 peak 2616 spectrum 1 weight 0.10000E+01 volume 0.11878E-02 ppm1 2.855 ppm2 7.372 CV 1 ASSI { 2617} (( segid " " and resid 797 and name HD2 )) (( segid " " and resid 797 and name HH21)) 4.500 2.600 1.500 peak 2617 spectrum 1 weight 0.10000E+01 volume 0.55061E-03 ppm1 2.939 ppm2 6.709 CV 1 OR { 2617} (( segid " " and resid 797 and name HD2 )) (( segid " " and resid 797 and name HH22)) ASSI { 2618} (( segid " " and resid 797 and name HD3 )) ( segid " " and resid 798 and name HE% ) 3.400 1.400 1.400 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.59389E-03 ppm1 2.855 ppm2 6.538 CV 1 ASSI { 2619} (( segid " " and resid 797 and name HD2 )) ( segid " " and resid 798 and name HE% ) 3.300 1.300 1.300 peak 2619 spectrum 1 weight 0.10000E+01 volume 0.47327E-03 ppm1 2.938 ppm2 6.533 CV 1 ASSI { 2620} (( segid " " and resid 797 and name HG2 )) ( segid " " and resid 798 and name HD% ) 3.500 1.600 1.600 peak 2620 spectrum 1 weight 0.10000E+01 volume 0.72694E-03 ppm1 1.056 ppm2 6.926 CV 1 ASSI { 2621} (( segid " " and resid 797 and name HG2 )) ( segid " " and resid 798 and name HE% ) 3.500 1.600 1.600 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.73000E-03 ppm1 1.049 ppm2 6.535 CV 1 OR { 2621} (( segid " " and resid 797 and name HG3 )) ( segid " " and resid 798 and name HE% ) ASSI { 2622} (( segid " " and resid 797 and name HG2 )) (( segid " " and resid 797 and name HE )) 3.600 1.600 1.600 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.57226E-03 ppm1 1.049 ppm2 7.370 CV 1 OR { 2622} (( segid " " and resid 797 and name HG3 )) (( segid " " and resid 797 and name HE )) ASSI { 2623} (( segid " " and resid 797 and name HG3 )) (( segid " " and resid 798 and name H )) 3.800 1.800 1.800 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.78571E-03 ppm1 1.054 ppm2 8.370 CV 1 OR { 2623} (( segid " " and resid 797 and name HG2 )) (( segid " " and resid 798 and name H )) ASSI { 2624} (( segid " " and resid 797 and name HG3 )) (( segid " " and resid 797 and name H )) 3.400 1.500 1.500 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.15683E-02 ppm1 1.053 ppm2 8.136 CV 1 ASSI { 2625} (( segid " " and resid 797 and name HB2 )) (( segid " " and resid 797 and name H )) 2.900 1.000 1.000 peak 2625 spectrum 1 weight 0.10000E+01 volume 0.19642E-02 ppm1 1.385 ppm2 8.135 CV 1 ASSI { 2626} (( segid " " and resid 797 and name HB2 )) (( segid " " and resid 798 and name H )) 3.800 1.800 1.800 peak 2626 spectrum 1 weight 0.10000E+01 volume 0.69597E-03 ppm1 1.387 ppm2 8.365 CV 1 ASSI { 2627} (( segid " " and resid 797 and name HB3 )) (( segid " " and resid 798 and name H )) 3.300 1.300 1.300 peak 2627 spectrum 1 weight 0.10000E+01 volume 0.74857E-03 ppm1 1.142 ppm2 8.367 CV 1 ASSI { 2629} (( segid " " and resid 797 and name HA )) (( segid " " and resid 797 and name H )) 2.700 0.900 0.900 peak 2629 spectrum 1 weight 0.10000E+01 volume 0.33655E-02 ppm1 3.861 ppm2 8.135 CV 1 ASSI { 2631} (( segid " " and resid 797 and name HB2 )) (( segid " " and resid 797 and name HA )) 2.800 1.000 1.000 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.24221E-02 ppm1 1.384 ppm2 3.861 CV 1 ASSI { 2632} (( segid " " and resid 797 and name HD2 )) (( segid " " and resid 797 and name HA )) 4.100 2.100 1.900 peak 2632 spectrum 1 weight 0.10000E+01 volume 0.55989E-03 ppm1 2.938 ppm2 3.858 CV 1 ASSI { 2633} (( segid " " and resid 797 and name HD3 )) (( segid " " and resid 797 and name HA )) 3.800 1.800 1.800 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.55061E-03 ppm1 2.858 ppm2 3.861 CV 1 ASSI { 2640} (( segid " " and resid 797 and name HD2 )) (( segid " " and resid 797 and name HD3 )) 1.700 0.300 0.500 peak 2640 spectrum 1 weight 0.10000E+01 volume 0.18578E-01 ppm1 2.939 ppm2 2.857 CV 1 ASSI { 2644} (( segid " " and resid 797 and name HD2 )) (( segid " " and resid 797 and name HB3 )) 3.400 1.500 1.500 peak 2644 spectrum 1 weight 0.10000E+01 volume 0.13301E-02 ppm1 2.939 ppm2 1.137 CV 1 ASSI { 2645} (( segid " " and resid 797 and name HD3 )) (( segid " " and resid 797 and name HB3 )) 3.200 1.300 1.300 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.13672E-02 ppm1 2.858 ppm2 1.138 CV 1 ASSI { 2646} (( segid " " and resid 797 and name HD2 )) (( segid " " and resid 797 and name HG3 )) 2.600 0.900 0.900 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.34490E-02 ppm1 2.938 ppm2 1.052 CV 1 OR { 2646} (( segid " " and resid 797 and name HD2 )) (( segid " " and resid 797 and name HG2 )) ASSI { 2647} (( segid " " and resid 797 and name HD3 )) (( segid " " and resid 797 and name HG2 )) 2.700 0.900 0.900 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.33469E-02 ppm1 2.858 ppm2 1.052 CV 1 OR { 2647} (( segid " " and resid 797 and name HD3 )) (( segid " " and resid 797 and name HG3 )) ASSI { 2648} (( segid " " and resid 797 and name HD2 )) (( segid " " and resid 797 and name HB2 )) 3.000 1.100 1.100 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.15869E-02 ppm1 2.938 ppm2 1.381 CV 1 ASSI { 2649} (( segid " " and resid 797 and name HD3 )) (( segid " " and resid 797 and name HB2 )) 3.200 1.200 1.200 peak 2649 spectrum 1 weight 0.10000E+01 volume 0.14538E-02 ppm1 2.858 ppm2 1.384 CV 1 ASSI { 2650} (( segid " " and resid 797 and name HB2 )) (( segid " " and resid 797 and name HB3 )) 2.000 0.500 0.500 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.63938E-02 ppm1 1.384 ppm2 1.139 CV 1 ASSI { 2653} (( segid " " and resid 797 and name HG2 )) (( segid " " and resid 797 and name HB3 )) 2.800 1.000 1.000 peak 2653 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 1.051 ppm2 1.142 CV 1 OR { 2653} (( segid " " and resid 797 and name HG3 )) (( segid " " and resid 797 and name HB3 )) ASSI { 2654} (( segid " " and resid 797 and name HG3 )) (( segid " " and resid 797 and name HB2 )) 2.800 0.900 0.900 peak 2654 spectrum 1 weight 0.10000E+01 volume 0.30562E-02 ppm1 1.052 ppm2 1.381 CV 1 OR { 2654} (( segid " " and resid 797 and name HG2 )) (( segid " " and resid 797 and name HB2 )) ASSI { 2655} (( segid " " and resid 872 and name HA )) (( segid " " and resid 872 and name H )) 2.600 0.800 0.800 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.41512E-02 ppm1 3.953 ppm2 7.787 CV 1 ASSI { 2656} (( segid " " and resid 872 and name HA )) (( segid " " and resid 874 and name H )) 3.700 1.700 1.700 peak 2656 spectrum 1 weight 0.10000E+01 volume 0.77331E-03 ppm1 3.954 ppm2 8.863 CV 1 ASSI { 2657} (( segid " " and resid 884 and name HA )) (( segid " " and resid 884 and name H )) 2.900 1.100 1.100 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.19178E-02 ppm1 3.959 ppm2 9.245 CV 1 ASSI { 2658} (( segid " " and resid 872 and name HB2 )) (( segid " " and resid 871 and name H )) 3.900 1.900 1.900 peak 2658 spectrum 1 weight 0.10000E+01 volume 0.94967E-03 ppm1 2.018 ppm2 8.862 CV 1 ASSI { 2659} (( segid " " and resid 884 and name HB2 )) (( segid " " and resid 884 and name H )) 2.900 1.000 1.000 peak 2659 spectrum 1 weight 0.10000E+01 volume 0.18962E-02 ppm1 2.018 ppm2 9.244 CV 1 ASSI { 2660} (( segid " " and resid 884 and name HB3 )) (( segid " " and resid 884 and name H )) 3.000 1.100 1.100 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.20230E-02 ppm1 1.972 ppm2 9.244 CV 1 ASSI { 2661} (( segid " " and resid 884 and name HG2 )) (( segid " " and resid 884 and name H )) 3.500 1.500 1.500 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.99603E-03 ppm1 2.300 ppm2 9.244 CV 1 ASSI { 2662} (( segid " " and resid 884 and name HG3 )) (( segid " " and resid 884 and name H )) 3.600 1.600 1.600 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.11290E-02 ppm1 2.249 ppm2 9.243 CV 1 ASSI { 2666} (( segid " " and resid 884 and name HA )) (( segid " " and resid 887 and name HB2 )) 2.600 0.900 0.900 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.30809E-02 ppm1 3.960 ppm2 2.169 CV 1 ASSI { 2667} (( segid " " and resid 888 and name HA )) (( segid " " and resid 888 and name HB2 )) 2.500 0.800 0.800 peak 2667 spectrum 1 weight 0.10000E+01 volume 0.39037E-02 ppm1 3.970 ppm2 2.176 CV 1 ASSI { 2668} (( segid " " and resid 888 and name HA )) (( segid " " and resid 888 and name HB3 )) 3.000 1.100 1.100 peak 2668 spectrum 1 weight 0.10000E+01 volume 0.30562E-02 ppm1 3.969 ppm2 2.085 CV 1 ASSI { 2670} (( segid " " and resid 884 and name HA )) (( segid " " and resid 887 and name HG2 )) 3.300 1.400 1.400 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.10362E-02 ppm1 3.959 ppm2 2.594 CV 1 ASSI { 2672} (( segid " " and resid 887 and name HA )) (( segid " " and resid 887 and name HG2 )) 2.900 1.100 1.100 peak 2672 spectrum 1 weight 0.10000E+01 volume 0.17879E-02 ppm1 3.868 ppm2 2.594 CV 1 ASSI { 2673} (( segid " " and resid 887 and name HA )) (( segid " " and resid 887 and name HG3 )) 3.400 1.400 1.400 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.22488E-02 ppm1 3.870 ppm2 2.411 CV 1 ASSI { 2674} (( segid " " and resid 887 and name HA )) (( segid " " and resid 887 and name HB3 )) 2.500 0.800 0.800 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.34243E-02 ppm1 3.869 ppm2 2.178 CV 1 ASSI { 2675} (( segid " " and resid 887 and name HA )) (( segid " " and resid 890 and name HB3 )) 2.700 0.900 0.900 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.20199E-02 ppm1 3.869 ppm2 2.098 CV 1 ASSI { 2676} (( segid " " and resid 887 and name HA )) ( segid " " and resid 816 and name HE% ) 3.600 1.700 1.700 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.66506E-03 ppm1 3.870 ppm2 1.995 CV 1 ASSI { 2678} (( segid " " and resid 872 and name HG2 )) ( segid " " and resid 871 and name HG1%) 3.400 1.500 1.500 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.11786E-02 ppm1 2.263 ppm2 0.847 CV 1 OR { 2678} (( segid " " and resid 872 and name HG3 )) ( segid " " and resid 871 and name HG1%) ASSI { 2679} (( segid " " and resid 872 and name HB2 )) ( segid " " and resid 871 and name HG1%) 4.300 2.300 1.700 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.64649E-03 ppm1 2.015 ppm2 0.847 CV 1 ASSI { 2682} (( segid " " and resid 872 and name HG3 )) ( segid " " and resid 868 and name HB% ) 3.200 1.300 1.300 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.77025E-03 ppm1 2.263 ppm2 1.489 CV 1 OR { 2682} (( segid " " and resid 872 and name HG2 )) ( segid " " and resid 868 and name HB% ) ASSI { 2683} (( segid " " and resid 873 and name HA )) (( segid " " and resid 874 and name H )) 3.300 1.400 1.400 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.12064E-02 ppm1 4.103 ppm2 8.865 CV 1 ASSI { 2684} (( segid " " and resid 873 and name HA )) (( segid " " and resid 873 and name H )) 2.700 0.900 0.900 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.36748E-02 ppm1 4.104 ppm2 8.132 CV 1 ASSI { 2686} (( segid " " and resid 873 and name HA )) (( segid " " and resid 886 and name HE22)) 3.200 1.300 1.300 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.12311E-02 ppm1 4.105 ppm2 6.862 CV 1 ASSI { 2688} ( segid " " and resid 873 and name HB% ) (( segid " " and resid 886 and name HE21)) 3.800 1.800 1.800 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.60629E-03 ppm1 1.353 ppm2 7.288 CV 1 ASSI { 2689} ( segid " " and resid 873 and name HB% ) (( segid " " and resid 886 and name HE22)) 4.000 2.000 2.000 peak 2689 spectrum 1 weight 0.10000E+01 volume 0.61863E-03 ppm1 1.354 ppm2 6.862 CV 1 ASSI { 2690} ( segid " " and resid 873 and name HB% ) (( segid " " and resid 889 and name HD3 )) 3.600 1.600 1.600 peak 2690 spectrum 1 weight 0.10000E+01 volume 0.80428E-03 ppm1 1.353 ppm2 3.135 CV 1 OR { 2690} ( segid " " and resid 873 and name HB% ) (( segid " " and resid 889 and name HD2 )) ASSI { 2692} (( segid " " and resid 873 and name HA )) ( segid " " and resid 890 and name HD1%) 4.300 2.300 1.700 peak 2692 spectrum 1 weight 0.10000E+01 volume 0.54751E-03 ppm1 4.103 ppm2 0.690 CV 1 ASSI { 2693} ( segid " " and resid 874 and name HB% ) (( segid " " and resid 874 and name H )) 2.100 0.600 0.600 peak 2693 spectrum 1 weight 0.10000E+01 volume 0.11693E-01 ppm1 1.310 ppm2 8.865 CV 1 ASSI { 2694} ( segid " " and resid 874 and name HB% ) (( segid " " and resid 826 and name H )) 3.600 1.600 1.600 peak 2694 spectrum 1 weight 0.10000E+01 volume 0.13425E-02 ppm1 1.310 ppm2 8.221 CV 1 ASSI { 2695} ( segid " " and resid 874 and name HB% ) (( segid " " and resid 873 and name H )) 3.900 1.900 1.900 peak 2695 spectrum 1 weight 0.10000E+01 volume 0.12280E-02 ppm1 1.310 ppm2 8.134 CV 1 ASSI { 2696} ( segid " " and resid 874 and name HB% ) (( segid " " and resid 875 and name H )) 2.400 0.700 0.700 peak 2696 spectrum 1 weight 0.10000E+01 volume 0.57380E-02 ppm1 1.310 ppm2 7.964 CV 1 ASSI { 2697} ( segid " " and resid 904 and name HB% ) (( segid " " and resid 903 and name H )) 3.600 1.600 1.600 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.13363E-02 ppm1 1.302 ppm2 7.895 CV 1 ASSI { 2698} ( segid " " and resid 904 and name HB% ) (( segid " " and resid 905 and name H )) 2.500 0.800 0.800 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.65113E-02 ppm1 1.302 ppm2 7.824 CV 1 ASSI { 2699} ( segid " " and resid 904 and name HB% ) (( segid " " and resid 904 and name H )) 2.100 0.600 0.600 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.11925E-01 ppm1 1.302 ppm2 7.725 CV 1 ASSI { 2700} ( segid " " and resid 904 and name HB% ) ( segid " " and resid 798 and name HE% ) 4.000 2.000 2.000 peak 2700 spectrum 1 weight 0.10000E+01 volume 0.48565E-03 ppm1 1.304 ppm2 6.536 CV 1 ASSI { 2702} ( segid " " and resid 904 and name HB% ) (( segid " " and resid 904 and name HA )) 2.000 0.500 0.500 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.12936E-01 ppm1 1.302 ppm2 3.926 CV 1 ASSI { 2704} ( segid " " and resid 874 and name HB% ) (( segid " " and resid 875 and name HA )) 3.500 1.500 1.500 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.89084E-03 ppm1 1.311 ppm2 3.756 CV 1 ASSI { 2705} ( segid " " and resid 904 and name HB% ) (( segid " " and resid 901 and name HA )) 2.600 0.800 0.800 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.39904E-02 ppm1 1.302 ppm2 3.699 CV 1 ASSI { 2706} ( segid " " and resid 874 and name HB% ) (( segid " " and resid 823 and name HA )) 3.300 1.400 1.400 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.10579E-02 ppm1 1.309 ppm2 3.468 CV 1 ASSI { 2707} ( segid " " and resid 874 and name HB% ) (( segid " " and resid 871 and name HA )) 2.500 0.800 0.800 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.47977E-02 ppm1 1.310 ppm2 3.372 CV 1 ASSI { 2711} ( segid " " and resid 874 and name HB% ) (( segid " " and resid 822 and name HG2 )) 4.100 2.100 1.900 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.54132E-03 ppm1 1.313 ppm2 2.256 CV 1 ASSI { 2712} ( segid " " and resid 904 and name HB% ) (( segid " " and resid 907 and name HB2 )) 3.900 1.900 1.900 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.97441E-03 ppm1 1.302 ppm2 2.716 CV 1 ASSI { 2713} ( segid " " and resid 874 and name HB% ) (( segid " " and resid 870 and name HG2 )) 4.100 2.100 1.900 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.57535E-03 ppm1 1.307 ppm2 2.586 CV 1 ASSI { 2716} ( segid " " and resid 874 and name HB% ) ( segid " " and resid 890 and name HD1%) 2.200 0.600 0.600 peak 2716 spectrum 1 weight 0.10000E+01 volume 0.98739E-02 ppm1 1.306 ppm2 0.687 CV 1 ASSI { 2718} ( segid " " and resid 874 and name HB% ) ( segid " " and resid 871 and name HG2%) 2.900 1.100 1.100 peak 2718 spectrum 1 weight 0.10000E+01 volume 0.93415E-03 ppm1 1.311 ppm2 0.999 CV 1 ASSI { 2728} (( segid " " and resid 875 and name HG3 )) (( segid " " and resid 875 and name HE2 )) 3.900 1.900 1.900 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.60012E-03 ppm1 1.590 ppm2 2.808 CV 1 ASSI { 2729} (( segid " " and resid 875 and name HG3 )) (( segid " " and resid 875 and name HE3 )) 3.800 1.800 1.800 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.60935E-03 ppm1 1.589 ppm2 2.731 CV 1 ASSI { 2734} (( segid " " and resid 875 and name HA )) (( segid " " and resid 875 and name HB3 )) 2.400 0.700 0.700 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.48286E-02 ppm1 3.759 ppm2 1.816 CV 1 OR { 2734} (( segid " " and resid 875 and name HA )) (( segid " " and resid 875 and name HB2 )) ASSI { 2735} (( segid " " and resid 875 and name HA )) (( segid " " and resid 875 and name HG3 )) 2.800 1.000 1.000 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.28953E-02 ppm1 3.758 ppm2 1.589 CV 1 ASSI { 2737} (( segid " " and resid 875 and name HA )) (( segid " " and resid 875 and name HG2 )) 2.500 0.800 0.800 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.28737E-02 ppm1 3.758 ppm2 1.257 CV 1 ASSI { 2739} (( segid " " and resid 875 and name HE3 )) (( segid " " and resid 875 and name HB3 )) 3.300 1.400 1.400 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.10610E-02 ppm1 2.734 ppm2 1.816 CV 1 OR { 2739} (( segid " " and resid 875 and name HE3 )) (( segid " " and resid 875 and name HB2 )) ASSI { 2741} (( segid " " and resid 875 and name HG2 )) (( segid " " and resid 875 and name HG3 )) 1.900 0.400 0.400 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.89366E-02 ppm1 1.259 ppm2 1.590 CV 1 OR { 2741} (( segid " " and resid 875 and name HG2 )) (( segid " " and resid 875 and name HD2 )) ASSI { 2742} (( segid " " and resid 875 and name HG3 )) (( segid " " and resid 875 and name HG2 )) 1.900 0.500 0.500 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.60012E-02 ppm1 1.590 ppm2 1.258 CV 1 ASSI { 2751} (( segid " " and resid 875 and name HE2 )) (( segid " " and resid 872 and name HA )) 3.900 1.900 1.900 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.51967E-03 ppm1 2.804 ppm2 3.956 CV 1 ASSI { 2752} (( segid " " and resid 875 and name HE3 )) (( segid " " and resid 872 and name HA )) 4.000 2.000 2.000 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.50420E-03 ppm1 2.731 ppm2 3.957 CV 1 ASSI { 2753} (( segid " " and resid 875 and name HA )) (( segid " " and resid 875 and name H )) 2.500 0.800 0.800 peak 2753 spectrum 1 weight 0.10000E+01 volume 0.37707E-02 ppm1 3.758 ppm2 7.968 CV 1 ASSI { 2754} (( segid " " and resid 875 and name HG2 )) (( segid " " and resid 875 and name H )) 3.900 1.900 1.900 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.11445E-02 ppm1 1.260 ppm2 7.963 CV 1 ASSI { 2756} (( segid " " and resid 876 and name HA3 )) (( segid " " and resid 877 and name H )) 2.900 1.000 1.000 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.22704E-02 ppm1 3.869 ppm2 8.226 CV 1 OR { 2756} (( segid " " and resid 876 and name HA2 )) (( segid " " and resid 877 and name H )) ASSI { 2757} (( segid " " and resid 896 and name HA3 )) (( segid " " and resid 896 and name H )) 2.500 0.800 0.800 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 3.930 ppm2 8.114 CV 1 ASSI { 2758} (( segid " " and resid 896 and name HA2 )) (( segid " " and resid 896 and name H )) 2.900 1.000 1.000 peak 2758 spectrum 1 weight 0.10000E+01 volume 0.37522E-02 ppm1 3.867 ppm2 8.113 CV 1 ASSI { 2759} (( segid " " and resid 876 and name HA3 )) (( segid " " and resid 876 and name H )) 2.300 0.700 0.700 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.70772E-02 ppm1 3.870 ppm2 8.002 CV 1 OR { 2759} (( segid " " and resid 876 and name HA2 )) (( segid " " and resid 876 and name H )) ASSI { 2760} (( segid " " and resid 896 and name HA2 )) (( segid " " and resid 895 and name HA )) 3.700 1.700 1.700 peak 2760 spectrum 1 weight 0.10000E+01 volume 0.73311E-03 ppm1 3.875 ppm2 4.141 CV 1 ASSI { 2761} (( segid " " and resid 876 and name HA3 )) (( segid " " and resid 873 and name HA )) 3.400 1.500 1.500 peak 2761 spectrum 1 weight 0.10000E+01 volume 0.80116E-03 ppm1 3.870 ppm2 4.104 CV 1 ASSI { 2763} (( segid " " and resid 876 and name HA3 )) ( segid " " and resid 877 and name HB% ) 4.300 2.300 1.700 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.58772E-03 ppm1 3.867 ppm2 1.246 CV 1 ASSI { 2765} (( segid " " and resid 876 and name HA2 )) (( segid " " and resid 875 and name HB2 )) 4.000 2.000 2.000 peak 2765 spectrum 1 weight 0.10000E+01 volume 0.60318E-03 ppm1 3.869 ppm2 1.819 CV 1 OR { 2765} (( segid " " and resid 876 and name HA3 )) (( segid " " and resid 875 and name HB2 )) OR { 2765} (( segid " " and resid 876 and name HA3 )) (( segid " " and resid 875 and name HB3 )) ASSI { 2767} (( segid " " and resid 904 and name HA )) (( segid " " and resid 904 and name H )) 2.500 0.800 0.800 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.36532E-02 ppm1 3.926 ppm2 7.725 CV 1 ASSI { 2768} (( segid " " and resid 877 and name HA )) (( segid " " and resid 877 and name H )) 2.700 0.900 0.900 peak 2768 spectrum 1 weight 0.10000E+01 volume 0.27283E-02 ppm1 3.933 ppm2 8.226 CV 1 ASSI { 2769} (( segid " " and resid 878 and name HA )) (( segid " " and resid 878 and name H )) 2.600 0.800 0.800 peak 2769 spectrum 1 weight 0.10000E+01 volume 0.43894E-02 ppm1 3.964 ppm2 7.993 CV 1 ASSI { 2770} ( segid " " and resid 877 and name HB% ) (( segid " " and resid 877 and name H )) 2.200 0.600 0.600 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.99791E-02 ppm1 1.244 ppm2 8.226 CV 1 ASSI { 2771} ( segid " " and resid 877 and name HB% ) (( segid " " and resid 878 and name H )) 2.500 0.800 0.800 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.53947E-02 ppm1 1.244 ppm2 7.994 CV 1 ASSI { 2772} ( segid " " and resid 877 and name HB% ) (( segid " " and resid 890 and name H )) 3.500 1.500 1.500 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.10765E-02 ppm1 1.244 ppm2 7.833 CV 1 ASSI { 2773} ( segid " " and resid 877 and name HB% ) (( segid " " and resid 887 and name HE21)) 3.800 1.800 1.800 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.56607E-03 ppm1 1.244 ppm2 7.337 CV 1 ASSI { 2774} ( segid " " and resid 877 and name HB% ) (( segid " " and resid 886 and name HE21)) 3.700 1.700 1.700 peak 2774 spectrum 1 weight 0.10000E+01 volume 0.10734E-02 ppm1 1.244 ppm2 7.280 CV 1 ASSI { 2775} ( segid " " and resid 877 and name HB% ) (( segid " " and resid 879 and name H )) 4.300 2.300 1.700 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.64338E-03 ppm1 1.246 ppm2 7.193 CV 1 ASSI { 2776} (( segid " " and resid 904 and name HA )) (( segid " " and resid 907 and name HD21)) 2.800 1.000 1.000 peak 2776 spectrum 1 weight 0.10000E+01 volume 0.12219E-02 ppm1 3.928 ppm2 7.416 CV 1 ASSI { 2777} (( segid " " and resid 877 and name HA )) (( segid " " and resid 886 and name HE21)) 3.600 1.600 1.600 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.14631E-02 ppm1 3.933 ppm2 7.276 CV 1 ASSI { 2778} (( segid " " and resid 877 and name HA )) (( segid " " and resid 879 and name H )) 3.900 1.900 1.900 peak 2778 spectrum 1 weight 0.10000E+01 volume 0.49802E-03 ppm1 3.935 ppm2 7.191 CV 1 ASSI { 2779} (( segid " " and resid 904 and name HA )) (( segid " " and resid 907 and name HD22)) 4.200 2.200 1.800 peak 2779 spectrum 1 weight 0.10000E+01 volume 0.83519E-03 ppm1 3.925 ppm2 6.874 CV 1 ASSI { 2780} ( segid " " and resid 877 and name HB% ) (( segid " " and resid 887 and name HE22)) 3.500 1.500 1.500 peak 2780 spectrum 1 weight 0.10000E+01 volume 0.65266E-03 ppm1 1.244 ppm2 6.739 CV 1 ASSI { 2781} ( segid " " and resid 877 and name HB% ) (( segid " " and resid 881 and name HA )) 3.700 1.700 1.700 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.88467E-03 ppm1 1.244 ppm2 4.458 CV 1 ASSI { 2782} ( segid " " and resid 877 and name HB% ) (( segid " " and resid 877 and name HA )) 2.100 0.600 0.600 peak 2782 spectrum 1 weight 0.10000E+01 volume 0.10041E-01 ppm1 1.244 ppm2 3.934 CV 1 ASSI { 2783} ( segid " " and resid 877 and name HB% ) (( segid " " and resid 874 and name HA )) 2.400 0.700 0.700 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.53514E-02 ppm1 1.244 ppm2 3.851 CV 1 ASSI { 2784} (( segid " " and resid 904 and name HA )) (( segid " " and resid 907 and name HB2 )) 3.200 1.300 1.300 peak 2784 spectrum 1 weight 0.10000E+01 volume 0.12682E-02 ppm1 3.925 ppm2 2.717 CV 1 OR { 2784} (( segid " " and resid 904 and name HA )) (( segid " " and resid 907 and name HB3 )) ASSI { 2785} (( segid " " and resid 877 and name HA )) (( segid " " and resid 886 and name HG2 )) 4.300 2.300 1.700 peak 2785 spectrum 1 weight 0.10000E+01 volume 0.10548E-02 ppm1 3.934 ppm2 2.410 CV 1 ASSI { 2786} (( segid " " and resid 877 and name HA )) (( segid " " and resid 886 and name HG3 )) 3.700 1.700 1.700 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.10269E-02 ppm1 3.932 ppm2 2.316 CV 1 ASSI { 2787} ( segid " " and resid 877 and name HB% ) (( segid " " and resid 887 and name HG2 )) 3.500 1.500 1.500 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.72071E-03 ppm1 1.244 ppm2 2.602 CV 1 ASSI { 2788} ( segid " " and resid 877 and name HB% ) (( segid " " and resid 887 and name HG3 )) 3.800 1.800 1.800 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.12095E-02 ppm1 1.244 ppm2 2.411 CV 1 ASSI { 2789} ( segid " " and resid 877 and name HB% ) (( segid " " and resid 886 and name HG3 )) 4.200 2.200 1.800 peak 2789 spectrum 1 weight 0.10000E+01 volume 0.10486E-02 ppm1 1.244 ppm2 2.316 CV 1 ASSI { 2790} (( segid " " and resid 877 and name HA )) (( segid " " and resid 886 and name HB3 )) 2.800 1.000 1.000 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.12404E-02 ppm1 3.931 ppm2 2.173 CV 1 ASSI { 2791} (( segid " " and resid 877 and name HA )) (( segid " " and resid 886 and name HB2 )) 2.700 0.900 0.900 peak 2791 spectrum 1 weight 0.10000E+01 volume 0.17693E-02 ppm1 3.934 ppm2 2.024 CV 1 ASSI { 2793} ( segid " " and resid 877 and name HB% ) (( segid " " and resid 886 and name HB3 )) 3.100 1.200 1.200 peak 2793 spectrum 1 weight 0.10000E+01 volume 0.13734E-02 ppm1 1.244 ppm2 2.174 CV 1 ASSI { 2794} ( segid " " and resid 877 and name HB% ) (( segid " " and resid 890 and name HB3 )) 3.400 1.400 1.400 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.13858E-02 ppm1 1.244 ppm2 2.096 CV 1 ASSI { 2795} ( segid " " and resid 877 and name HB% ) ( segid " " and resid 816 and name HE% ) 3.100 1.200 1.200 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.23262E-02 ppm1 1.244 ppm2 2.001 CV 1 ASSI { 2800} ( segid " " and resid 877 and name HB% ) ( segid " " and resid 890 and name HD1%) 3.100 1.200 1.200 peak 2800 spectrum 1 weight 0.10000E+01 volume 0.33778E-02 ppm1 1.244 ppm2 0.692 CV 1 ASSI { 2801} ( segid " " and resid 877 and name HB% ) ( segid " " and resid 890 and name HD2%) 2.300 0.700 0.700 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.66970E-02 ppm1 1.244 ppm2 0.516 CV 1 ASSI { 2802} (( segid " " and resid 878 and name HA )) (( segid " " and resid 879 and name H )) 3.400 1.500 1.500 peak 2802 spectrum 1 weight 0.10000E+01 volume 0.12373E-02 ppm1 3.964 ppm2 7.194 CV 1 ASSI { 2803} (( segid " " and resid 878 and name HA )) ( segid " " and resid 823 and name HG2%) 4.200 2.300 1.800 peak 2803 spectrum 1 weight 0.10000E+01 volume 0.10981E-02 ppm1 3.965 ppm2 0.944 CV 1 ASSI { 2804} (( segid " " and resid 878 and name HA )) ( segid " " and resid 822 and name HE% ) 2.900 1.100 1.100 peak 2804 spectrum 1 weight 0.10000E+01 volume 0.23230E-02 ppm1 3.965 ppm2 1.874 CV 1 ASSI { 2805} ( segid " " and resid 879 and name HB% ) ( segid " " and resid 878 and name HB% ) 2.500 2.500 3.500 peak 2805 spectrum 1 weight 0.10000E+01 volume 0.21993E-02 ppm1 1.165 ppm2 1.398 CV 1 ASSI { 2806} (( segid " " and resid 879 and name HA )) ( segid " " and resid 878 and name HB% ) 3.700 1.700 1.700 peak 2806 spectrum 1 weight 0.10000E+01 volume 0.89084E-03 ppm1 3.973 ppm2 1.398 CV 1 ASSI { 2808} ( segid " " and resid 879 and name HB% ) (( segid " " and resid 879 and name HA )) 2.000 0.500 0.500 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.18173E-01 ppm1 1.163 ppm2 3.971 CV 1 ASSI { 2809} ( segid " " and resid 879 and name HB% ) (( segid " " and resid 876 and name HA2 )) 2.600 0.800 0.800 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.36903E-02 ppm1 1.163 ppm2 3.869 CV 1 ASSI { 2810} (( segid " " and resid 879 and name HA )) (( segid " " and resid 878 and name H )) 4.700 2.800 1.300 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.36810E-03 ppm1 3.971 ppm2 7.995 CV 1 ASSI { 2812} (( segid " " and resid 879 and name HA )) (( segid " " and resid 879 and name H )) 2.500 0.800 0.800 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.45255E-02 ppm1 3.971 ppm2 7.194 CV 1 ASSI { 2813} ( segid " " and resid 879 and name HB% ) (( segid " " and resid 877 and name H )) 4.200 2.200 1.800 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.48874E-03 ppm1 1.163 ppm2 8.224 CV 1 ASSI { 2814} ( segid " " and resid 879 and name HB% ) (( segid " " and resid 878 and name H )) 3.400 1.500 1.500 peak 2814 spectrum 1 weight 0.10000E+01 volume 0.23633E-02 ppm1 1.163 ppm2 7.995 CV 1 ASSI { 2815} ( segid " " and resid 879 and name HB% ) (( segid " " and resid 880 and name H )) 2.300 0.700 0.700 peak 2815 spectrum 1 weight 0.10000E+01 volume 0.85129E-02 ppm1 1.163 ppm2 7.276 CV 1 ASSI { 2816} ( segid " " and resid 879 and name HB% ) (( segid " " and resid 879 and name H )) 2.100 0.500 0.500 peak 2816 spectrum 1 weight 0.10000E+01 volume 0.15370E-01 ppm1 1.163 ppm2 7.194 CV 1 ASSI { 2817} (( segid " " and resid 880 and name HA )) (( segid " " and resid 880 and name H )) 2.800 1.000 1.000 peak 2817 spectrum 1 weight 0.10000E+01 volume 0.24963E-02 ppm1 5.059 ppm2 7.275 CV 1 OR { 2817} (( segid " " and resid 880 and name HA )) (( segid " " and resid 880 and name HD2 )) ASSI { 2819} (( segid " " and resid 880 and name HB2 )) (( segid " " and resid 883 and name H )) 4.600 2.600 1.400 peak 2819 spectrum 1 weight 0.10000E+01 volume 0.40213E-03 ppm1 3.089 ppm2 7.402 CV 1 ASSI { 2820} (( segid " " and resid 880 and name HB2 )) (( segid " " and resid 880 and name H )) 2.900 1.100 1.100 peak 2820 spectrum 1 weight 0.10000E+01 volume 0.15126E-02 ppm1 3.090 ppm2 7.277 CV 1 OR { 2820} (( segid " " and resid 880 and name HB2 )) (( segid " " and resid 880 and name HD2 )) ASSI { 2821} (( segid " " and resid 880 and name HB3 )) (( segid " " and resid 880 and name HD2 )) 3.500 1.600 1.600 peak 2821 spectrum 1 weight 0.10000E+01 volume 0.13023E-02 ppm1 3.026 ppm2 7.278 CV 1 OR { 2821} (( segid " " and resid 880 and name HB3 )) (( segid " " and resid 880 and name H )) ASSI { 2825} (( segid " " and resid 880 and name HB2 )) (( segid " " and resid 883 and name HB3 )) 3.900 1.900 1.900 peak 2825 spectrum 1 weight 0.10000E+01 volume 0.49802E-03 ppm1 3.085 ppm2 4.001 CV 1 ASSI { 2826} (( segid " " and resid 880 and name HB3 )) (( segid " " and resid 883 and name HB3 )) 4.000 2.000 2.000 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.44543E-03 ppm1 3.025 ppm2 4.002 CV 1 ASSI { 2829} (( segid " " and resid 880 and name HA )) (( segid " " and resid 881 and name HD2 )) 2.300 0.700 0.700 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.42471E-02 ppm1 5.059 ppm2 3.538 CV 1 ASSI { 2830} (( segid " " and resid 880 and name HA )) (( segid " " and resid 881 and name HD3 )) 2.900 1.100 1.100 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.29479E-02 ppm1 5.059 ppm2 3.297 CV 1 ASSI { 2831} (( segid " " and resid 880 and name HA )) (( segid " " and resid 880 and name HB2 )) 3.100 1.200 1.200 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.19024E-02 ppm1 5.060 ppm2 3.088 CV 1 ASSI { 2832} (( segid " " and resid 880 and name HA )) (( segid " " and resid 880 and name HB3 )) 2.800 1.000 1.000 peak 2832 spectrum 1 weight 0.10000E+01 volume 0.14538E-02 ppm1 5.058 ppm2 3.025 CV 1 ASSI { 2833} (( segid " " and resid 880 and name HB2 )) (( segid " " and resid 886 and name HG2 )) 4.400 2.500 1.600 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.43924E-03 ppm1 3.085 ppm2 2.408 CV 1 ASSI { 2834} (( segid " " and resid 880 and name HB3 )) (( segid " " and resid 886 and name HG2 )) 5.200 3.400 0.800 peak 2834 spectrum 1 weight 0.10000E+01 volume 0.27530E-03 ppm1 3.022 ppm2 2.415 CV 1 ASSI { 2835} (( segid " " and resid 880 and name HA )) (( segid " " and resid 881 and name HG3 )) 5.100 3.300 0.900 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.53514E-03 ppm1 5.062 ppm2 1.980 CV 1 ASSI { 2836} (( segid " " and resid 880 and name HA )) (( segid " " and resid 881 and name HG2 )) 4.800 2.900 1.200 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.54442E-03 ppm1 5.061 ppm2 1.872 CV 1 ASSI { 2837} (( segid " " and resid 880 and name HB2 )) (( segid " " and resid 886 and name HG3 )) 3.200 1.300 1.300 peak 2837 spectrum 1 weight 0.10000E+01 volume 0.54442E-03 ppm1 3.087 ppm2 2.319 CV 1 ASSI { 2838} (( segid " " and resid 880 and name HB3 )) (( segid " " and resid 886 and name HG3 )) 4.300 2.400 1.700 peak 2838 spectrum 1 weight 0.10000E+01 volume 0.45162E-03 ppm1 3.022 ppm2 2.319 CV 1 ASSI { 2839} (( segid " " and resid 880 and name HA )) ( segid " " and resid 879 and name HB% ) 4.100 2.100 1.900 peak 2839 spectrum 1 weight 0.10000E+01 volume 0.38975E-03 ppm1 5.063 ppm2 1.165 CV 1 ASSI { 2840} (( segid " " and resid 881 and name HA )) (( segid " " and resid 881 and name HB3 )) 2.400 0.700 0.700 peak 2840 spectrum 1 weight 0.10000E+01 volume 0.45038E-02 ppm1 4.455 ppm2 2.272 CV 1 ASSI { 2841} (( segid " " and resid 881 and name HA )) (( segid " " and resid 881 and name HG3 )) 3.800 1.800 1.800 peak 2841 spectrum 1 weight 0.10000E+01 volume 0.12064E-02 ppm1 4.456 ppm2 1.986 CV 1 ASSI { 2842} (( segid " " and resid 881 and name HA )) (( segid " " and resid 881 and name HB2 )) 2.900 1.000 1.000 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.34954E-02 ppm1 4.456 ppm2 1.910 CV 1 ASSI { 2844} (( segid " " and resid 881 and name HA )) (( segid " " and resid 881 and name HD2 )) 4.000 2.000 2.000 peak 2844 spectrum 1 weight 0.10000E+01 volume 0.54442E-03 ppm1 4.454 ppm2 3.537 CV 1 ASSI { 2845} (( segid " " and resid 881 and name HA )) (( segid " " and resid 881 and name HD3 )) 3.500 1.600 1.600 peak 2845 spectrum 1 weight 0.10000E+01 volume 0.75474E-03 ppm1 4.459 ppm2 3.299 CV 1 ASSI { 2846} (( segid " " and resid 881 and name HB3 )) (( segid " " and resid 881 and name HD2 )) 4.400 2.400 1.600 peak 2846 spectrum 1 weight 0.10000E+01 volume 0.52895E-03 ppm1 2.271 ppm2 3.534 CV 1 ASSI { 2847} (( segid " " and resid 881 and name HB3 )) (( segid " " and resid 881 and name HD3 )) 3.500 1.500 1.500 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.78259E-03 ppm1 2.273 ppm2 3.296 CV 1 ASSI { 2848} (( segid " " and resid 881 and name HB2 )) (( segid " " and resid 881 and name HD2 )) 4.200 2.300 1.800 peak 2848 spectrum 1 weight 0.10000E+01 volume 0.62486E-03 ppm1 1.911 ppm2 3.534 CV 1 ASSI { 2849} (( segid " " and resid 881 and name HB2 )) (( segid " " and resid 881 and name HD3 )) 4.200 2.200 1.800 peak 2849 spectrum 1 weight 0.10000E+01 volume 0.76714E-03 ppm1 1.912 ppm2 3.297 CV 1 ASSI { 2850} (( segid " " and resid 881 and name HD3 )) (( segid " " and resid 881 and name HD2 )) 1.900 0.500 0.500 peak 2850 spectrum 1 weight 0.10000E+01 volume 0.76496E-02 ppm1 3.296 ppm2 3.538 CV 1 ASSI { 2853} (( segid " " and resid 881 and name HD3 )) (( segid " " and resid 881 and name HG2 )) 3.400 1.400 1.400 peak 2853 spectrum 1 weight 0.10000E+01 volume 0.16704E-02 ppm1 3.296 ppm2 1.866 CV 1 ASSI { 2854} (( segid " " and resid 881 and name HB2 )) (( segid " " and resid 881 and name HB3 )) 1.900 0.500 0.500 peak 2854 spectrum 1 weight 0.10000E+01 volume 0.81973E-02 ppm1 1.912 ppm2 2.272 CV 1 ASSI { 2857} (( segid " " and resid 881 and name HD2 )) (( segid " " and resid 881 and name HG3 )) 3.100 1.200 1.200 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.19549E-02 ppm1 3.537 ppm2 1.981 CV 1 ASSI { 2858} (( segid " " and resid 881 and name HG3 )) (( segid " " and resid 881 and name HG2 )) 1.900 0.400 0.400 peak 2858 spectrum 1 weight 0.10000E+01 volume 0.96171E-02 ppm1 1.981 ppm2 1.865 CV 1 ASSI { 2860} (( segid " " and resid 881 and name HG2 )) (( segid " " and resid 881 and name HB3 )) 3.500 1.500 1.500 peak 2860 spectrum 1 weight 0.10000E+01 volume 0.14848E-02 ppm1 1.865 ppm2 2.271 CV 1 ASSI { 2861} (( segid " " and resid 881 and name HG3 )) (( segid " " and resid 881 and name HB3 )) 2.600 0.800 0.800 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.25674E-02 ppm1 1.982 ppm2 2.271 CV 1 ASSI { 2862} (( segid " " and resid 881 and name HG3 )) (( segid " " and resid 881 and name HD3 )) 2.600 0.800 0.800 peak 2862 spectrum 1 weight 0.10000E+01 volume 0.23540E-02 ppm1 1.981 ppm2 3.297 CV 1 ASSI { 2866} (( segid " " and resid 881 and name HA )) (( segid " " and resid 877 and name HA )) 3.600 1.700 1.700 peak 2866 spectrum 1 weight 0.10000E+01 volume 0.59701E-03 ppm1 4.456 ppm2 3.940 CV 1 ASSI { 2870} (( segid " " and resid 881 and name HD3 )) (( segid " " and resid 879 and name HA )) 3.400 1.400 1.400 peak 2870 spectrum 1 weight 0.10000E+01 volume 0.56917E-03 ppm1 3.300 ppm2 3.969 CV 1 ASSI { 2871} (( segid " " and resid 881 and name HD2 )) (( segid " " and resid 879 and name HA )) 3.300 3.300 2.700 peak 2871 spectrum 1 weight 0.10000E+01 volume 0.44543E-03 ppm1 3.535 ppm2 3.969 CV 1 ASSI { 2874} (( segid " " and resid 881 and name HG2 )) (( segid " " and resid 881 and name HA )) 4.200 2.200 1.800 peak 2874 spectrum 1 weight 0.10000E+01 volume 0.67740E-03 ppm1 1.866 ppm2 4.454 CV 1 ASSI { 2880} (( segid " " and resid 881 and name HA )) (( segid " " and resid 887 and name HE21)) 3.700 1.700 1.700 peak 2880 spectrum 1 weight 0.10000E+01 volume 0.63103E-03 ppm1 4.456 ppm2 7.337 CV 1 ASSI { 2881} (( segid " " and resid 881 and name HA )) (( segid " " and resid 880 and name H )) 3.900 1.900 1.900 peak 2881 spectrum 1 weight 0.10000E+01 volume 0.38357E-03 ppm1 4.458 ppm2 7.274 CV 1 ASSI { 2883} (( segid " " and resid 881 and name HD3 )) (( segid " " and resid 880 and name H )) 3.300 1.400 1.400 peak 2883 spectrum 1 weight 0.10000E+01 volume 0.10672E-02 ppm1 3.300 ppm2 7.274 CV 1 ASSI { 2884} (( segid " " and resid 881 and name HD2 )) (( segid " " and resid 880 and name H )) 4.000 2.000 2.000 peak 2884 spectrum 1 weight 0.10000E+01 volume 0.90941E-03 ppm1 3.537 ppm2 7.274 CV 1 OR { 2884} (( segid " " and resid 881 and name HD2 )) (( segid " " and resid 880 and name HD2 )) ASSI { 2885} (( segid " " and resid 881 and name HA )) (( segid " " and resid 882 and name H )) 3.100 1.200 1.200 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.17199E-02 ppm1 4.457 ppm2 8.526 CV 1 ASSI { 2886} (( segid " " and resid 881 and name HB3 )) (( segid " " and resid 882 and name H )) 4.600 2.600 1.400 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.44543E-03 ppm1 2.272 ppm2 8.527 CV 1 ASSI { 2887} (( segid " " and resid 881 and name HD3 )) (( segid " " and resid 882 and name H )) 4.400 2.400 1.600 peak 2887 spectrum 1 weight 0.10000E+01 volume 0.62486E-03 ppm1 3.294 ppm2 8.527 CV 1 ASSI { 2888} (( segid " " and resid 881 and name HD2 )) (( segid " " and resid 882 and name H )) 3.100 1.200 1.200 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.10022E-02 ppm1 3.537 ppm2 8.527 CV 1 ASSI { 2889} (( segid " " and resid 881 and name HG3 )) (( segid " " and resid 882 and name H )) 4.400 2.400 1.600 peak 2889 spectrum 1 weight 0.10000E+01 volume 0.83207E-03 ppm1 1.981 ppm2 8.526 CV 1 ASSI { 2891} (( segid " " and resid 806 and name HG )) (( segid " " and resid 806 and name H )) 3.400 1.500 1.500 peak 2891 spectrum 1 weight 0.10000E+01 volume 0.23416E-02 ppm1 1.859 ppm2 8.462 CV 1 ASSI { 2892} (( segid " " and resid 882 and name HA )) (( segid " " and resid 883 and name H )) 3.100 1.200 1.200 peak 2892 spectrum 1 weight 0.10000E+01 volume 0.18498E-02 ppm1 4.523 ppm2 7.403 CV 1 ASSI { 2893} (( segid " " and resid 882 and name HA )) (( segid " " and resid 882 and name H )) 2.600 0.900 0.900 peak 2893 spectrum 1 weight 0.10000E+01 volume 0.40306E-02 ppm1 4.524 ppm2 8.527 CV 1 ASSI { 2894} (( segid " " and resid 882 and name HB2 )) (( segid " " and resid 882 and name H )) 2.400 0.700 0.700 peak 2894 spectrum 1 weight 0.10000E+01 volume 0.62951E-02 ppm1 2.667 ppm2 8.526 CV 1 OR { 2894} (( segid " " and resid 882 and name HB3 )) (( segid " " and resid 882 and name H )) ASSI { 2895} (( segid " " and resid 882 and name HB2 )) (( segid " " and resid 883 and name H )) 3.300 1.400 1.400 peak 2895 spectrum 1 weight 0.10000E+01 volume 0.14043E-02 ppm1 2.667 ppm2 7.402 CV 1 OR { 2895} (( segid " " and resid 882 and name HB3 )) (( segid " " and resid 883 and name H )) ASSI { 2896} (( segid " " and resid 882 and name HB3 )) (( segid " " and resid 882 and name HA )) 2.200 0.600 0.600 peak 2896 spectrum 1 weight 0.10000E+01 volume 0.11754E-01 ppm1 2.667 ppm2 4.525 CV 1 OR { 2896} (( segid " " and resid 882 and name HB2 )) (( segid " " and resid 882 and name HA )) ASSI { 2900} (( segid " " and resid 883 and name HB2 )) (( segid " " and resid 882 and name H )) 4.700 2.700 1.300 peak 2900 spectrum 1 weight 0.10000E+01 volume 0.36500E-03 ppm1 3.867 ppm2 8.520 CV 1 ASSI { 2901} (( segid " " and resid 883 and name HA )) (( segid " " and resid 884 and name H )) 2.500 0.800 0.800 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.39099E-02 ppm1 4.566 ppm2 9.244 CV 1 ASSI { 2902} (( segid " " and resid 883 and name HA )) (( segid " " and resid 885 and name H )) 4.100 2.100 1.900 peak 2902 spectrum 1 weight 0.10000E+01 volume 0.81662E-03 ppm1 4.566 ppm2 8.507 CV 1 ASSI { 2904} (( segid " " and resid 883 and name HA )) (( segid " " and resid 883 and name HB2 )) 2.900 1.100 1.100 peak 2904 spectrum 1 weight 0.10000E+01 volume 0.17384E-02 ppm1 4.567 ppm2 3.869 CV 1 ASSI { 2905} (( segid " " and resid 883 and name HA )) (( segid " " and resid 883 and name HB3 )) 3.100 1.200 1.200 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.12837E-02 ppm1 4.567 ppm2 4.002 CV 1 ASSI { 2908} (( segid " " and resid 883 and name HB2 )) (( segid " " and resid 883 and name HB3 )) 2.200 0.600 0.600 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.30314E-02 ppm1 3.867 ppm2 4.006 CV 1 ASSI { 2909} (( segid " " and resid 883 and name HA )) (( segid " " and resid 884 and name HB2 )) 4.500 2.500 1.500 peak 2909 spectrum 1 weight 0.10000E+01 volume 0.54751E-03 ppm1 4.561 ppm2 2.022 CV 1 ASSI { 2910} (( segid " " and resid 883 and name HB2 )) (( segid " " and resid 886 and name HG2 )) 4.000 2.000 2.000 peak 2910 spectrum 1 weight 0.10000E+01 volume 0.42378E-03 ppm1 3.871 ppm2 2.410 CV 1 ASSI { 2911} (( segid " " and resid 883 and name HB2 )) (( segid " " and resid 886 and name HG3 )) 4.100 2.100 1.900 peak 2911 spectrum 1 weight 0.10000E+01 volume 0.36500E-03 ppm1 3.865 ppm2 2.315 CV 1 ASSI { 2912} (( segid " " and resid 883 and name HB2 )) (( segid " " and resid 886 and name HB3 )) 4.700 2.800 1.300 peak 2912 spectrum 1 weight 0.10000E+01 volume 0.44543E-03 ppm1 3.866 ppm2 2.178 CV 1 ASSI { 2913} (( segid " " and resid 883 and name HB2 )) (( segid " " and resid 886 and name HB2 )) 3.800 1.800 1.800 peak 2913 spectrum 1 weight 0.10000E+01 volume 0.40522E-03 ppm1 3.870 ppm2 2.024 CV 1 ASSI { 2915} (( segid " " and resid 883 and name HB3 )) (( segid " " and resid 886 and name HG3 )) 3.900 1.900 1.900 peak 2915 spectrum 1 weight 0.10000E+01 volume 0.43924E-03 ppm1 4.013 ppm2 2.317 CV 1 ASSI { 2917} (( segid " " and resid 883 and name HB2 )) (( segid " " and resid 880 and name HB2 )) 3.700 1.700 1.700 peak 2917 spectrum 1 weight 0.10000E+01 volume 0.61558E-03 ppm1 3.866 ppm2 3.092 CV 1 ASSI { 2918} (( segid " " and resid 883 and name HB2 )) (( segid " " and resid 880 and name HB3 )) 3.300 1.300 1.300 peak 2918 spectrum 1 weight 0.10000E+01 volume 0.51348E-03 ppm1 3.871 ppm2 3.026 CV 1 ASSI { 2919} (( segid " " and resid 884 and name HG2 )) (( segid " " and resid 884 and name HA )) 3.100 1.200 1.200 peak 2919 spectrum 1 weight 0.10000E+01 volume 0.18745E-02 ppm1 2.302 ppm2 3.962 CV 1 ASSI { 2922} (( segid " " and resid 892 and name HB2 )) (( segid " " and resid 892 and name HG3 )) 2.600 0.800 0.800 peak 2922 spectrum 1 weight 0.10000E+01 volume 0.32541E-02 ppm1 1.992 ppm2 2.196 CV 1 ASSI { 2923} (( segid " " and resid 884 and name HG2 )) (( segid " " and resid 884 and name HB2 )) 3.000 1.200 1.200 peak 2923 spectrum 1 weight 0.10000E+01 volume 0.21251E-02 ppm1 2.302 ppm2 2.017 CV 1 ASSI { 2924} (( segid " " and resid 884 and name HG2 )) (( segid " " and resid 884 and name HB3 )) 2.700 0.900 0.900 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.29943E-02 ppm1 2.302 ppm2 1.977 CV 1 ASSI { 2925} (( segid " " and resid 890 and name HA )) (( segid " " and resid 893 and name H )) 3.200 1.200 1.200 peak 2925 spectrum 1 weight 0.10000E+01 volume 0.11445E-02 ppm1 3.988 ppm2 8.434 CV 1 ASSI { 2926} (( segid " " and resid 886 and name HA )) (( segid " " and resid 888 and name H )) 4.000 2.000 2.000 peak 2926 spectrum 1 weight 0.10000E+01 volume 0.34335E-03 ppm1 3.993 ppm2 8.303 CV 1 ASSI { 2932} (( segid " " and resid 887 and name HB2 )) (( segid " " and resid 887 and name H )) 2.900 1.100 1.100 peak 2932 spectrum 1 weight 0.10000E+01 volume 0.21065E-02 ppm1 2.184 ppm2 7.819 CV 1 OR { 2932} (( segid " " and resid 887 and name HB3 )) (( segid " " and resid 887 and name H )) ASSI { 2933} (( segid " " and resid 890 and name HA )) (( segid " " and resid 890 and name H )) 2.600 0.800 0.800 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.34057E-02 ppm1 3.988 ppm2 7.839 CV 1 ASSI { 2934} (( segid " " and resid 886 and name HA )) (( segid " " and resid 886 and name HE21)) 3.500 1.500 1.500 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.52276E-03 ppm1 3.990 ppm2 7.287 CV 1 ASSI { 2935} (( segid " " and resid 886 and name HA )) (( segid " " and resid 886 and name HE22)) 4.200 2.200 1.800 peak 2935 spectrum 1 weight 0.10000E+01 volume 0.44543E-03 ppm1 3.984 ppm2 6.864 CV 1 ASSI { 2936} (( segid " " and resid 887 and name HG3 )) (( segid " " and resid 887 and name HE21)) 3.100 1.200 1.200 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.13858E-02 ppm1 2.412 ppm2 7.336 CV 1 ASSI { 2937} (( segid " " and resid 886 and name HG2 )) (( segid " " and resid 886 and name HE21)) 3.400 1.500 1.500 peak 2937 spectrum 1 weight 0.10000E+01 volume 0.15188E-02 ppm1 2.408 ppm2 7.286 CV 1 ASSI { 2938} (( segid " " and resid 886 and name HG3 )) (( segid " " and resid 886 and name HE21)) 2.900 1.000 1.000 peak 2938 spectrum 1 weight 0.10000E+01 volume 0.17044E-02 ppm1 2.317 ppm2 7.286 CV 1 ASSI { 2939} (( segid " " and resid 886 and name HG2 )) (( segid " " and resid 886 and name HE22)) 4.200 2.200 1.800 peak 2939 spectrum 1 weight 0.10000E+01 volume 0.69292E-03 ppm1 2.411 ppm2 6.862 CV 1 ASSI { 2940} (( segid " " and resid 886 and name HG3 )) (( segid " " and resid 886 and name HE22)) 4.000 2.000 2.000 peak 2940 spectrum 1 weight 0.10000E+01 volume 0.82279E-03 ppm1 2.317 ppm2 6.862 CV 1 ASSI { 2941} (( segid " " and resid 886 and name HG3 )) (( segid " " and resid 886 and name H )) 4.100 2.100 1.900 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.13982E-02 ppm1 2.316 ppm2 7.872 CV 1 ASSI { 2942} (( segid " " and resid 886 and name HG2 )) (( segid " " and resid 886 and name H )) 2.700 0.900 0.900 peak 2942 spectrum 1 weight 0.10000E+01 volume 0.15714E-02 ppm1 2.411 ppm2 7.871 CV 1 ASSI { 2944} (( segid " " and resid 888 and name HG3 )) (( segid " " and resid 888 and name HE21)) 2.400 0.700 0.700 peak 2944 spectrum 1 weight 0.10000E+01 volume 0.43120E-02 ppm1 2.368 ppm2 7.729 CV 1 OR { 2944} (( segid " " and resid 888 and name HG2 )) (( segid " " and resid 888 and name HE21)) ASSI { 2946} (( segid " " and resid 888 and name HB3 )) (( segid " " and resid 888 and name H )) 2.700 0.900 0.900 peak 2946 spectrum 1 weight 0.10000E+01 volume 0.28087E-02 ppm1 2.084 ppm2 8.302 CV 1 ASSI { 2950} (( segid " " and resid 887 and name HB3 )) (( segid " " and resid 887 and name HA )) 2.900 1.100 1.100 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.17663E-02 ppm1 2.166 ppm2 3.869 CV 1 OR { 2950} (( segid " " and resid 887 and name HB2 )) (( segid " " and resid 887 and name HA )) ASSI { 2952} (( segid " " and resid 888 and name HG3 )) (( segid " " and resid 889 and name HA )) 3.300 1.400 1.400 peak 2952 spectrum 1 weight 0.10000E+01 volume 0.74857E-03 ppm1 2.369 ppm2 4.044 CV 1 ASSI { 2954} (( segid " " and resid 888 and name HG3 )) (( segid " " and resid 888 and name HA )) 2.400 0.700 0.700 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.62733E-02 ppm1 2.368 ppm2 3.974 CV 1 ASSI { 2955} (( segid " " and resid 887 and name HG3 )) (( segid " " and resid 884 and name HA )) 3.100 1.200 1.200 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.11693E-02 ppm1 2.414 ppm2 3.962 CV 1 ASSI { 2961} (( segid " " and resid 886 and name HB2 )) (( segid " " and resid 886 and name HB3 )) 2.100 0.600 0.600 peak 2961 spectrum 1 weight 0.10000E+01 volume 0.26076E-02 ppm1 2.020 ppm2 2.174 CV 1 ASSI { 2962} (( segid " " and resid 888 and name HB2 )) (( segid " " and resid 888 and name HB3 )) 1.800 0.400 0.400 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.98428E-02 ppm1 2.175 ppm2 2.084 CV 1 ASSI { 2964} (( segid " " and resid 887 and name HG3 )) (( segid " " and resid 887 and name HB3 )) 2.600 0.900 0.900 peak 2964 spectrum 1 weight 0.10000E+01 volume 0.35913E-02 ppm1 2.412 ppm2 2.177 CV 1 ASSI { 2965} (( segid " " and resid 886 and name HG2 )) (( segid " " and resid 886 and name HB2 )) 2.900 1.100 1.100 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.13270E-02 ppm1 2.413 ppm2 2.024 CV 1 ASSI { 2966} (( segid " " and resid 886 and name HG3 )) (( segid " " and resid 886 and name HB2 )) 2.700 0.900 0.900 peak 2966 spectrum 1 weight 0.10000E+01 volume 0.18065E-02 ppm1 2.320 ppm2 2.024 CV 1 ASSI { 2967} (( segid " " and resid 886 and name HG2 )) (( segid " " and resid 886 and name HG3 )) 2.000 0.500 0.500 peak 2967 spectrum 1 weight 0.10000E+01 volume 0.66659E-02 ppm1 2.412 ppm2 2.316 CV 1 ASSI { 2969} (( segid " " and resid 886 and name HB2 )) ( segid " " and resid 877 and name HB% ) 4.200 2.200 1.800 peak 2969 spectrum 1 weight 0.10000E+01 volume 0.53204E-03 ppm1 2.034 ppm2 1.244 CV 1 ASSI { 2970} (( segid " " and resid 886 and name HG2 )) ( segid " " and resid 877 and name HB% ) 4.700 2.700 1.300 peak 2970 spectrum 1 weight 0.10000E+01 volume 0.73311E-03 ppm1 2.410 ppm2 1.243 CV 1 ASSI { 2975} (( segid " " and resid 887 and name HA )) (( segid " " and resid 890 and name HG )) 4.800 2.900 1.200 peak 2975 spectrum 1 weight 0.10000E+01 volume 0.32480E-03 ppm1 3.869 ppm2 1.422 CV 1 ASSI { 2976} (( segid " " and resid 887 and name HA )) (( segid " " and resid 890 and name HB2 )) 3.400 1.400 1.400 peak 2976 spectrum 1 weight 0.10000E+01 volume 0.12373E-02 ppm1 3.869 ppm2 1.312 CV 1 ASSI { 2977} (( segid " " and resid 887 and name HA )) ( segid " " and resid 877 and name HB% ) 3.200 1.300 1.300 peak 2977 spectrum 1 weight 0.10000E+01 volume 0.96201E-03 ppm1 3.870 ppm2 1.243 CV 1 ASSI { 2978} (( segid " " and resid 887 and name HA )) ( segid " " and resid 822 and name HE% ) 4.200 2.200 1.800 peak 2978 spectrum 1 weight 0.10000E+01 volume 0.48565E-03 ppm1 3.870 ppm2 1.872 CV 1 ASSI { 2979} (( segid " " and resid 887 and name HG2 )) (( segid " " and resid 887 and name HE21)) 2.500 0.800 0.800 peak 2979 spectrum 1 weight 0.10000E+01 volume 0.25643E-02 ppm1 2.597 ppm2 7.338 CV 1 ASSI { 2982} (( segid " " and resid 887 and name HG2 )) (( segid " " and resid 887 and name H )) 2.400 0.700 0.700 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.25674E-02 ppm1 2.597 ppm2 7.819 CV 1 ASSI { 2985} (( segid " " and resid 887 and name HA )) (( segid " " and resid 887 and name HE21)) 4.200 2.200 1.800 peak 2985 spectrum 1 weight 0.10000E+01 volume 0.39594E-03 ppm1 3.873 ppm2 7.339 CV 1 ASSI { 2988} (( segid " " and resid 887 and name HA )) (( segid " " and resid 888 and name HA )) 3.400 1.500 1.500 peak 2988 spectrum 1 weight 0.10000E+01 volume 0.10393E-02 ppm1 3.871 ppm2 3.976 CV 1 ASSI { 2989} (( segid " " and resid 887 and name HG2 )) (( segid " " and resid 887 and name HG3 )) 1.800 0.400 0.400 peak 2989 spectrum 1 weight 0.10000E+01 volume 0.99974E-02 ppm1 2.597 ppm2 2.413 CV 1 ASSI { 2990} (( segid " " and resid 887 and name HG2 )) (( segid " " and resid 887 and name HB3 )) 2.900 1.000 1.000 peak 2990 spectrum 1 weight 0.10000E+01 volume 0.33376E-02 ppm1 2.597 ppm2 2.178 CV 1 ASSI { 2992} (( segid " " and resid 887 and name HB2 )) (( segid " " and resid 887 and name HG2 )) 3.100 1.200 1.200 peak 2992 spectrum 1 weight 0.10000E+01 volume 0.15064E-02 ppm1 2.184 ppm2 2.595 CV 1 OR { 2992} (( segid " " and resid 887 and name HB3 )) (( segid " " and resid 887 and name HG2 )) ASSI { 2993} (( segid " " and resid 887 and name HB2 )) (( segid " " and resid 887 and name HG2 )) 3.000 1.100 1.100 peak 2993 spectrum 1 weight 0.10000E+01 volume 0.14971E-02 ppm1 2.156 ppm2 2.594 CV 1 ASSI { 2994} (( segid " " and resid 888 and name HB2 )) (( segid " " and resid 888 and name HG2 )) 2.400 0.700 0.700 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.69509E-02 ppm1 2.175 ppm2 2.368 CV 1 OR { 2994} (( segid " " and resid 888 and name HB2 )) (( segid " " and resid 888 and name HG3 )) ASSI { 2996} (( segid " " and resid 906 and name HG2 )) ( segid " " and resid 905 and name HB% ) 3.500 1.500 1.500 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.97746E-03 ppm1 2.401 ppm2 1.511 CV 1 OR { 2996} (( segid " " and resid 906 and name HG3 )) ( segid " " and resid 905 and name HB% ) ASSI { 2997} (( segid " " and resid 887 and name HA )) ( segid " " and resid 890 and name HD1%) 4.800 2.800 1.200 peak 2997 spectrum 1 weight 0.10000E+01 volume 0.42996E-03 ppm1 3.869 ppm2 0.692 CV 1 ASSI { 2998} (( segid " " and resid 887 and name HA )) ( segid " " and resid 890 and name HD2%) 3.500 1.500 1.500 peak 2998 spectrum 1 weight 0.10000E+01 volume 0.98058E-03 ppm1 3.870 ppm2 0.515 CV 1 ASSI { 3000} (( segid " " and resid 888 and name HG3 )) (( segid " " and resid 888 and name HE22)) 3.700 1.700 1.700 peak 3000 spectrum 1 weight 0.10000E+01 volume 0.19797E-02 ppm1 2.367 ppm2 6.767 CV 1 OR { 3000} (( segid " " and resid 888 and name HG2 )) (( segid " " and resid 888 and name HE22)) ASSI { 3001} (( segid " " and resid 888 and name HG3 )) (( segid " " and resid 889 and name H )) 3.100 1.200 1.200 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.17786E-02 ppm1 2.369 ppm2 8.024 CV 1 ASSI { 3002} (( segid " " and resid 888 and name HG3 )) (( segid " " and resid 892 and name H )) 3.500 1.600 1.600 peak 3002 spectrum 1 weight 0.10000E+01 volume 0.66817E-03 ppm1 2.367 ppm2 8.443 CV 1 ASSI { 3003} (( segid " " and resid 888 and name HG2 )) (( segid " " and resid 888 and name HB2 )) 2.000 0.500 0.500 peak 3003 spectrum 1 weight 0.10000E+01 volume 0.15117E-01 ppm1 2.368 ppm2 2.177 CV 1 ASSI { 3004} (( segid " " and resid 888 and name HG2 )) (( segid " " and resid 888 and name HB3 )) 2.100 0.600 0.600 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.11201E-01 ppm1 2.368 ppm2 2.084 CV 1 OR { 3004} (( segid " " and resid 888 and name HG3 )) (( segid " " and resid 888 and name HB3 )) ASSI { 3005} (( segid " " and resid 888 and name HG3 )) (( segid " " and resid 892 and name HB2 )) 3.200 3.200 2.800 peak 3005 spectrum 1 weight 0.10000E+01 volume 0.14043E-02 ppm1 2.366 ppm2 1.992 CV 1 ASSI { 3009} (( segid " " and resid 889 and name HA )) (( segid " " and resid 889 and name H )) 2.600 0.800 0.800 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.37089E-02 ppm1 4.047 ppm2 8.024 CV 1 ASSI { 3010} (( segid " " and resid 889 and name HB2 )) (( segid " " and resid 889 and name HA )) 3.200 1.300 1.300 peak 3010 spectrum 1 weight 0.10000E+01 volume 0.17725E-02 ppm1 1.847 ppm2 4.048 CV 1 ASSI { 3012} (( segid " " and resid 891 and name HD2 )) (( segid " " and resid 891 and name HD3 )) 1.600 0.300 0.600 peak 3012 spectrum 1 weight 0.10000E+01 volume 0.21254E-01 ppm1 3.168 ppm2 3.079 CV 1 ASSI { 3014} (( segid " " and resid 889 and name HB2 )) (( segid " " and resid 889 and name HG2 )) 3.200 1.300 1.300 peak 3014 spectrum 1 weight 0.10000E+01 volume 0.21065E-02 ppm1 1.846 ppm2 1.648 CV 1 ASSI { 3019} (( segid " " and resid 890 and name HB2 )) ( segid " " and resid 890 and name HD1%) 2.900 1.000 1.000 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.14445E-02 ppm1 1.314 ppm2 0.692 CV 1 ASSI { 3020} (( segid " " and resid 890 and name HB2 )) ( segid " " and resid 890 and name HD2%) 2.900 1.100 1.100 peak 3020 spectrum 1 weight 0.10000E+01 volume 0.15621E-02 ppm1 1.311 ppm2 0.515 CV 1 ASSI { 3021} (( segid " " and resid 890 and name HB3 )) ( segid " " and resid 890 and name HD1%) 3.900 1.900 1.900 peak 3021 spectrum 1 weight 0.10000E+01 volume 0.10795E-02 ppm1 2.097 ppm2 0.691 CV 1 ASSI { 3023} ( segid " " and resid 890 and name HD1%) ( segid " " and resid 890 and name HD2%) 2.100 0.500 0.500 peak 3023 spectrum 1 weight 0.10000E+01 volume 0.13681E-01 ppm1 0.692 ppm2 0.513 CV 1 ASSI { 3028} ( segid " " and resid 890 and name HD2%) (( segid " " and resid 890 and name HG )) 2.100 0.600 0.600 peak 3028 spectrum 1 weight 0.10000E+01 volume 0.92022E-02 ppm1 0.517 ppm2 1.423 CV 1 ASSI { 3032} ( segid " " and resid 890 and name HD1%) (( segid " " and resid 890 and name HG )) 2.100 0.600 0.600 peak 3032 spectrum 1 weight 0.10000E+01 volume 0.95272E-02 ppm1 0.692 ppm2 1.418 CV 1 ASSI { 3035} (( segid " " and resid 890 and name HB3 )) (( segid " " and resid 890 and name HG )) 2.800 1.000 1.000 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.14693E-02 ppm1 2.097 ppm2 1.421 CV 1 ASSI { 3037} (( segid " " and resid 890 and name HA )) ( segid " " and resid 893 and name HB% ) 2.500 0.800 0.800 peak 3037 spectrum 1 weight 0.10000E+01 volume 0.34892E-02 ppm1 3.984 ppm2 1.410 CV 1 ASSI { 3038} (( segid " " and resid 890 and name HG )) (( segid " " and resid 890 and name HB2 )) 3.700 1.700 1.700 peak 3038 spectrum 1 weight 0.10000E+01 volume 0.82279E-03 ppm1 1.424 ppm2 1.311 CV 1 ASSI { 3040} (( segid " " and resid 886 and name HA )) (( segid " " and resid 889 and name HB3 )) 3.300 1.300 1.300 peak 3040 spectrum 1 weight 0.10000E+01 volume 0.27469E-02 ppm1 3.989 ppm2 1.953 CV 1 ASSI { 3043} ( segid " " and resid 890 and name HD2%) (( segid " " and resid 890 and name HB3 )) 2.400 0.700 0.700 peak 3043 spectrum 1 weight 0.10000E+01 volume 0.44729E-02 ppm1 0.518 ppm2 2.097 CV 1 ASSI { 3044} ( segid " " and resid 890 and name HD2%) ( segid " " and resid 816 and name HE% ) 2.700 0.900 0.900 peak 3044 spectrum 1 weight 0.10000E+01 volume 0.31087E-02 ppm1 0.518 ppm2 1.992 CV 1 ASSI { 3045} ( segid " " and resid 890 and name HD2%) ( segid " " and resid 870 and name HE% ) 2.600 2.600 3.400 peak 3045 spectrum 1 weight 0.10000E+01 volume 0.17786E-02 ppm1 0.518 ppm2 1.953 CV 1 ASSI { 3046} ( segid " " and resid 890 and name HD2%) ( segid " " and resid 822 and name HE% ) 2.400 0.700 0.700 peak 3046 spectrum 1 weight 0.10000E+01 volume 0.47451E-02 ppm1 0.517 ppm2 1.874 CV 1 ASSI { 3048} (( segid " " and resid 886 and name HA )) (( segid " " and resid 886 and name HG2 )) 3.200 1.200 1.200 peak 3048 spectrum 1 weight 0.10000E+01 volume 0.11909E-02 ppm1 3.988 ppm2 2.409 CV 1 ASSI { 3049} (( segid " " and resid 886 and name HA )) (( segid " " and resid 886 and name HG3 )) 3.800 1.800 1.800 peak 3049 spectrum 1 weight 0.10000E+01 volume 0.10579E-02 ppm1 3.991 ppm2 2.316 CV 1 ASSI { 3050} ( segid " " and resid 890 and name HD1%) (( segid " " and resid 870 and name HG2 )) 3.500 1.500 1.500 peak 3050 spectrum 1 weight 0.10000E+01 volume 0.12651E-02 ppm1 0.692 ppm2 2.593 CV 1 ASSI { 3051} ( segid " " and resid 890 and name HD1%) (( segid " " and resid 870 and name HB3 )) 4.200 2.200 1.800 peak 3051 spectrum 1 weight 0.10000E+01 volume 0.52895E-03 ppm1 0.689 ppm2 2.410 CV 1 ASSI { 3052} ( segid " " and resid 890 and name HD2%) (( segid " " and resid 816 and name HG3 )) 3.000 1.100 1.100 peak 3052 spectrum 1 weight 0.10000E+01 volume 0.79805E-03 ppm1 0.518 ppm2 2.600 CV 1 ASSI { 3053} (( segid " " and resid 890 and name HB2 )) (( segid " " and resid 890 and name HA )) 2.700 0.900 0.900 peak 3053 spectrum 1 weight 0.10000E+01 volume 0.15188E-02 ppm1 1.310 ppm2 3.985 CV 1 ASSI { 3055} (( segid " " and resid 890 and name HB3 )) (( segid " " and resid 890 and name HA )) 3.300 1.400 1.400 peak 3055 spectrum 1 weight 0.10000E+01 volume 0.12744E-02 ppm1 2.096 ppm2 3.983 CV 1 ASSI { 3057} ( segid " " and resid 890 and name HD1%) (( segid " " and resid 890 and name HA )) 2.200 0.600 0.600 peak 3057 spectrum 1 weight 0.10000E+01 volume 0.75785E-02 ppm1 0.692 ppm2 3.986 CV 1 ASSI { 3058} ( segid " " and resid 890 and name HD1%) (( segid " " and resid 874 and name HA )) 2.200 0.600 0.600 peak 3058 spectrum 1 weight 0.10000E+01 volume 0.66259E-02 ppm1 0.692 ppm2 3.846 CV 1 ASSI { 3059} ( segid " " and resid 890 and name HD2%) (( segid " " and resid 890 and name HA )) 3.700 1.700 1.700 peak 3059 spectrum 1 weight 0.10000E+01 volume 0.20354E-02 ppm1 0.517 ppm2 3.983 CV 1 ASSI { 3060} ( segid " " and resid 890 and name HD2%) (( segid " " and resid 874 and name HA )) 2.600 0.800 0.800 peak 3060 spectrum 1 weight 0.10000E+01 volume 0.28860E-02 ppm1 0.518 ppm2 3.852 CV 1 ASSI { 3062} ( segid " " and resid 890 and name HD1%) ( segid " " and resid 813 and name HE% ) 4.200 2.200 1.800 peak 3062 spectrum 1 weight 0.10000E+01 volume 0.60318E-03 ppm1 0.690 ppm2 7.118 CV 1 ASSI { 3063} ( segid " " and resid 890 and name HD1%) (( segid " " and resid 813 and name HZ )) 4.100 2.100 1.900 peak 3063 spectrum 1 weight 0.10000E+01 volume 0.79499E-03 ppm1 0.692 ppm2 7.025 CV 1 ASSI { 3066} ( segid " " and resid 890 and name HD1%) ( segid " " and resid 813 and name HD% ) 4.200 2.200 1.800 peak 3066 spectrum 1 weight 0.10000E+01 volume 0.38975E-03 ppm1 0.692 ppm2 7.329 CV 1 ASSI { 3068} ( segid " " and resid 890 and name HD1%) (( segid " " and resid 891 and name H )) 3.900 1.900 1.900 peak 3068 spectrum 1 weight 0.10000E+01 volume 0.80428E-03 ppm1 0.693 ppm2 8.072 CV 1 ASSI { 3070} ( segid " " and resid 890 and name HD1%) (( segid " " and resid 890 and name H )) 3.800 1.800 1.800 peak 3070 spectrum 1 weight 0.10000E+01 volume 0.17291E-02 ppm1 0.692 ppm2 7.836 CV 1 ASSI { 3075} (( segid " " and resid 890 and name HA )) (( segid " " and resid 891 and name H )) 3.400 1.500 1.500 peak 3075 spectrum 1 weight 0.10000E+01 volume 0.66506E-03 ppm1 3.988 ppm2 8.073 CV 1 ASSI { 3076} (( segid " " and resid 886 and name HA )) (( segid " " and resid 889 and name H )) 3.000 1.100 1.100 peak 3076 spectrum 1 weight 0.10000E+01 volume 0.16982E-02 ppm1 3.991 ppm2 8.024 CV 1 ASSI { 3077} ( segid " " and resid 890 and name HD1%) (( segid " " and resid 893 and name H )) 4.000 2.000 2.000 peak 3077 spectrum 1 weight 0.10000E+01 volume 0.66195E-03 ppm1 0.692 ppm2 8.434 CV 1 ASSI { 3079} ( segid " " and resid 890 and name HD1%) (( segid " " and resid 873 and name H )) 4.000 2.000 2.000 peak 3079 spectrum 1 weight 0.10000E+01 volume 0.78259E-03 ppm1 0.692 ppm2 8.133 CV 1 ASSI { 3080} ( segid " " and resid 890 and name HD1%) (( segid " " and resid 894 and name H )) 3.400 1.500 1.500 peak 3080 spectrum 1 weight 0.10000E+01 volume 0.74545E-03 ppm1 0.692 ppm2 8.619 CV 1 ASSI { 3081} ( segid " " and resid 890 and name HD2%) (( segid " " and resid 877 and name H )) 3.200 1.200 1.200 peak 3081 spectrum 1 weight 0.10000E+01 volume 0.58772E-03 ppm1 0.518 ppm2 8.223 CV 1 ASSI { 3082} (( segid " " and resid 890 and name HA )) (( segid " " and resid 894 and name H )) 3.700 1.800 1.800 peak 3082 spectrum 1 weight 0.10000E+01 volume 0.42687E-03 ppm1 3.983 ppm2 8.618 CV 1 ASSI { 3083} ( segid " " and resid 890 and name HD1%) (( segid " " and resid 874 and name H )) 2.700 0.900 0.900 peak 3083 spectrum 1 weight 0.10000E+01 volume 0.30623E-02 ppm1 0.692 ppm2 8.865 CV 1 ASSI { 3084} ( segid " " and resid 890 and name HD2%) (( segid " " and resid 874 and name H )) 3.200 1.300 1.300 peak 3084 spectrum 1 weight 0.10000E+01 volume 0.52586E-03 ppm1 0.518 ppm2 8.866 CV 1 ASSI { 3086} (( segid " " and resid 891 and name HA )) (( segid " " and resid 891 and name H )) 2.600 0.800 0.800 peak 3086 spectrum 1 weight 0.10000E+01 volume 0.32727E-02 ppm1 3.978 ppm2 8.072 CV 1 ASSI { 3088} (( segid " " and resid 891 and name HA )) (( segid " " and resid 813 and name HZ )) 2.500 0.800 0.800 peak 3088 spectrum 1 weight 0.10000E+01 volume 0.29479E-02 ppm1 3.978 ppm2 7.024 CV 1 ASSI { 3092} (( segid " " and resid 891 and name HA )) (( segid " " and resid 891 and name HD3 )) 4.600 2.600 1.400 peak 3092 spectrum 1 weight 0.10000E+01 volume 0.49493E-03 ppm1 3.977 ppm2 3.079 CV 1 ASSI { 3093} (( segid " " and resid 891 and name HA )) (( segid " " and resid 891 and name HB3 )) 2.600 0.800 0.800 peak 3093 spectrum 1 weight 0.10000E+01 volume 0.25489E-02 ppm1 3.977 ppm2 2.009 CV 1 ASSI { 3094} (( segid " " and resid 891 and name HA )) (( segid " " and resid 891 and name HB2 )) 3.000 1.100 1.100 peak 3094 spectrum 1 weight 0.10000E+01 volume 0.23787E-02 ppm1 3.976 ppm2 1.915 CV 1 ASSI { 3095} (( segid " " and resid 891 and name HA )) (( segid " " and resid 891 and name HG3 )) 3.200 1.300 1.300 peak 3095 spectrum 1 weight 0.10000E+01 volume 0.16178E-02 ppm1 3.977 ppm2 1.798 CV 1 ASSI { 3097} (( segid " " and resid 891 and name HA )) (( segid " " and resid 890 and name HG )) 3.700 1.700 1.700 peak 3097 spectrum 1 weight 0.10000E+01 volume 0.39594E-03 ppm1 3.970 ppm2 1.423 CV 1 ASSI { 3099} (( segid " " and resid 827 and name HB2 )) (( segid " " and resid 827 and name H )) 2.600 0.900 0.900 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.34645E-02 ppm1 1.908 ppm2 7.869 CV 1 OR { 3099} (( segid " " and resid 827 and name HB3 )) (( segid " " and resid 827 and name H )) ASSI { 3100} (( segid " " and resid 891 and name HD2 )) (( segid " " and resid 891 and name H )) 4.500 2.600 1.500 peak 3100 spectrum 1 weight 0.10000E+01 volume 0.54751E-03 ppm1 3.174 ppm2 8.074 CV 1 ASSI { 3103} (( segid " " and resid 891 and name HG2 )) (( segid " " and resid 891 and name HB3 )) 2.800 1.000 1.000 peak 3103 spectrum 1 weight 0.10000E+01 volume 0.14755E-02 ppm1 1.529 ppm2 2.008 CV 1 ASSI { 3104} (( segid " " and resid 891 and name HA )) ( segid " " and resid 812 and name HG2%) 3.200 3.200 2.800 peak 3104 spectrum 1 weight 0.10000E+01 volume 0.55989E-03 ppm1 3.975 ppm2 0.497 CV 1 ASSI { 3105} (( segid " " and resid 892 and name HA )) (( segid " " and resid 892 and name H )) 2.500 0.800 0.800 peak 3105 spectrum 1 weight 0.10000E+01 volume 0.48163E-02 ppm1 4.018 ppm2 8.441 CV 1 ASSI { 3106} (( segid " " and resid 893 and name HA )) (( segid " " and resid 894 and name H )) 3.400 1.500 1.500 peak 3106 spectrum 1 weight 0.10000E+01 volume 0.11105E-02 ppm1 4.147 ppm2 8.619 CV 1 ASSI { 3107} (( segid " " and resid 893 and name HA )) (( segid " " and resid 893 and name H )) 2.600 0.900 0.900 peak 3107 spectrum 1 weight 0.10000E+01 volume 0.39439E-02 ppm1 4.148 ppm2 8.432 CV 1 ASSI { 3108} (( segid " " and resid 893 and name HA )) (( segid " " and resid 896 and name H )) 3.000 1.200 1.200 peak 3108 spectrum 1 weight 0.10000E+01 volume 0.14910E-02 ppm1 4.148 ppm2 8.114 CV 1 ASSI { 3109} ( segid " " and resid 893 and name HB% ) (( segid " " and resid 869 and name HE2 )) 3.000 1.200 1.200 peak 3109 spectrum 1 weight 0.10000E+01 volume 0.72071E-03 ppm1 1.407 ppm2 2.889 CV 1 OR { 3109} ( segid " " and resid 893 and name HB% ) (( segid " " and resid 869 and name HE3 )) ASSI { 3112} (( segid " " and resid 894 and name HA )) (( segid " " and resid 897 and name HB2 )) 3.400 1.400 1.400 peak 3112 spectrum 1 weight 0.10000E+01 volume 0.12373E-02 ppm1 4.163 ppm2 1.305 CV 1 ASSI { 3113} (( segid " " and resid 894 and name HA )) ( segid " " and resid 809 and name HG2%) 3.200 1.300 1.300 peak 3113 spectrum 1 weight 0.10000E+01 volume 0.13734E-02 ppm1 4.161 ppm2 1.166 CV 1 ASSI { 3114} (( segid " " and resid 894 and name HA )) ( segid " " and resid 897 and name HD1%) 3.700 1.700 1.700 peak 3114 spectrum 1 weight 0.10000E+01 volume 0.99603E-03 ppm1 4.163 ppm2 0.859 CV 1 ASSI { 3115} (( segid " " and resid 895 and name HG2 )) (( segid " " and resid 895 and name H )) 2.700 0.900 0.900 peak 3115 spectrum 1 weight 0.10000E+01 volume 0.36872E-02 ppm1 2.285 ppm2 8.055 CV 1 OR { 3115} (( segid " " and resid 895 and name HG3 )) (( segid " " and resid 895 and name H )) ASSI { 3116} (( segid " " and resid 895 and name HB2 )) (( segid " " and resid 896 and name H )) 2.900 1.100 1.100 peak 3116 spectrum 1 weight 0.10000E+01 volume 0.15095E-02 ppm1 2.142 ppm2 8.119 CV 1 ASSI { 3117} (( segid " " and resid 895 and name HB3 )) (( segid " " and resid 896 and name H )) 3.500 1.500 1.500 peak 3117 spectrum 1 weight 0.10000E+01 volume 0.13487E-02 ppm1 2.059 ppm2 8.117 CV 1 ASSI { 3118} (( segid " " and resid 895 and name HB2 )) (( segid " " and resid 895 and name H )) 2.500 0.800 0.800 peak 3118 spectrum 1 weight 0.10000E+01 volume 0.32480E-02 ppm1 2.143 ppm2 8.055 CV 1 ASSI { 3119} (( segid " " and resid 895 and name HB3 )) (( segid " " and resid 895 and name H )) 3.400 1.500 1.500 peak 3119 spectrum 1 weight 0.10000E+01 volume 0.33160E-02 ppm1 2.060 ppm2 8.054 CV 1 ASSI { 3121} (( segid " " and resid 810 and name HA )) (( segid " " and resid 811 and name H )) 3.300 1.300 1.300 peak 3121 spectrum 1 weight 0.10000E+01 volume 0.11445E-02 ppm1 4.142 ppm2 8.150 CV 1 ASSI { 3122} (( segid " " and resid 895 and name HA )) (( segid " " and resid 896 and name H )) 3.400 1.400 1.400 peak 3122 spectrum 1 weight 0.10000E+01 volume 0.10393E-02 ppm1 4.136 ppm2 8.125 CV 1 ASSI { 3123} (( segid " " and resid 895 and name HA )) (( segid " " and resid 895 and name H )) 2.500 0.800 0.800 peak 3123 spectrum 1 weight 0.10000E+01 volume 0.44791E-02 ppm1 4.137 ppm2 8.055 CV 1 ASSI { 3124} (( segid " " and resid 810 and name HA )) (( segid " " and resid 810 and name H )) 2.600 0.900 0.900 peak 3124 spectrum 1 weight 0.10000E+01 volume 0.32758E-02 ppm1 4.141 ppm2 7.444 CV 1 ASSI { 3125} (( segid " " and resid 810 and name HB2 )) (( segid " " and resid 810 and name H )) 2.800 1.000 1.000 peak 3125 spectrum 1 weight 0.10000E+01 volume 0.27623E-02 ppm1 2.117 ppm2 7.445 CV 1 ASSI { 3127} (( segid " " and resid 810 and name HG2 )) (( segid " " and resid 810 and name H )) 2.500 0.800 0.800 peak 3127 spectrum 1 weight 0.10000E+01 volume 0.27252E-02 ppm1 2.362 ppm2 7.445 CV 1 ASSI { 3128} (( segid " " and resid 810 and name HG3 )) (( segid " " and resid 810 and name H )) 3.200 1.300 1.300 peak 3128 spectrum 1 weight 0.10000E+01 volume 0.26602E-02 ppm1 2.323 ppm2 7.445 CV 1 ASSI { 3129} (( segid " " and resid 810 and name HA )) (( segid " " and resid 814 and name H )) 3.900 1.900 1.900 peak 3129 spectrum 1 weight 0.10000E+01 volume 0.52586E-03 ppm1 4.140 ppm2 8.524 CV 1 ASSI { 3131} (( segid " " and resid 810 and name HA )) ( segid " " and resid 813 and name HD% ) 2.700 0.900 0.900 peak 3131 spectrum 1 weight 0.10000E+01 volume 0.24344E-02 ppm1 4.141 ppm2 7.329 CV 1 ASSI { 3132} (( segid " " and resid 810 and name HA )) (( segid " " and resid 813 and name H )) 3.200 1.300 1.300 peak 3132 spectrum 1 weight 0.10000E+01 volume 0.13549E-02 ppm1 4.141 ppm2 7.272 CV 1 ASSI { 3133} (( segid " " and resid 810 and name HA )) ( segid " " and resid 813 and name HE% ) 3.800 1.800 1.800 peak 3133 spectrum 1 weight 0.10000E+01 volume 0.65266E-03 ppm1 4.140 ppm2 7.116 CV 1 ASSI { 3134} (( segid " " and resid 895 and name HG3 )) (( segid " " and resid 813 and name HZ )) 3.700 1.700 1.700 peak 3134 spectrum 1 weight 0.10000E+01 volume 0.38666E-03 ppm1 2.287 ppm2 7.021 CV 1 ASSI { 3135} (( segid " " and resid 895 and name HG3 )) ( segid " " and resid 813 and name HE% ) 3.600 1.600 1.600 peak 3135 spectrum 1 weight 0.10000E+01 volume 0.28149E-03 ppm1 2.291 ppm2 7.117 CV 1 ASSI { 3136} (( segid " " and resid 895 and name HG3 )) (( segid " " and resid 895 and name HA )) 2.700 0.900 0.900 peak 3136 spectrum 1 weight 0.10000E+01 volume 0.35047E-02 ppm1 2.298 ppm2 4.138 CV 1 OR { 3136} (( segid " " and resid 895 and name HG2 )) (( segid " " and resid 895 and name HA )) ASSI { 3137} (( segid " " and resid 895 and name HB2 )) (( segid " " and resid 892 and name HA )) 2.900 1.100 1.100 peak 3137 spectrum 1 weight 0.10000E+01 volume 0.13270E-02 ppm1 2.143 ppm2 4.017 CV 1 ASSI { 3142} (( segid " " and resid 845 and name HB2 )) (( segid " " and resid 845 and name HG3 )) 2.400 0.700 0.700 peak 3142 spectrum 1 weight 0.10000E+01 volume 0.45873E-02 ppm1 2.080 ppm2 2.250 CV 1 ASSI { 3145} (( segid " " and resid 899 and name HA )) (( segid " " and resid 899 and name HB3 )) 2.800 1.000 1.000 peak 3145 spectrum 1 weight 0.10000E+01 volume 0.36500E-02 ppm1 4.156 ppm2 2.165 CV 1 ASSI { 3146} (( segid " " and resid 895 and name HA )) (( segid " " and resid 895 and name HB2 )) 2.600 0.900 0.900 peak 3146 spectrum 1 weight 0.10000E+01 volume 0.57752E-02 ppm1 4.138 ppm2 2.140 CV 1 ASSI { 3148} (( segid " " and resid 895 and name HA )) (( segid " " and resid 898 and name HB3 )) 2.700 0.900 0.900 peak 3148 spectrum 1 weight 0.10000E+01 volume 0.18684E-02 ppm1 4.136 ppm2 1.938 CV 1 ASSI { 3150} (( segid " " and resid 895 and name HB2 )) (( segid " " and resid 895 and name HB3 )) 1.900 0.400 0.400 peak 3150 spectrum 1 weight 0.10000E+01 volume 0.99668E-02 ppm1 2.142 ppm2 2.060 CV 1 ASSI { 3151} (( segid " " and resid 810 and name HG3 )) (( segid " " and resid 810 and name HB3 )) 2.600 0.900 0.900 peak 3151 spectrum 1 weight 0.10000E+01 volume 0.59143E-02 ppm1 2.320 ppm2 2.161 CV 1 ASSI { 3152} (( segid " " and resid 895 and name HG2 )) (( segid " " and resid 895 and name HB2 )) 2.200 0.600 0.600 peak 3152 spectrum 1 weight 0.10000E+01 volume 0.91564E-02 ppm1 2.296 ppm2 2.141 CV 1 OR { 3152} (( segid " " and resid 895 and name HG3 )) (( segid " " and resid 895 and name HB2 )) ASSI { 3153} (( segid " " and resid 810 and name HG3 )) (( segid " " and resid 810 and name HB2 )) 2.300 0.700 0.700 peak 3153 spectrum 1 weight 0.10000E+01 volume 0.59977E-02 ppm1 2.320 ppm2 2.128 CV 1 ASSI { 3154} (( segid " " and resid 895 and name HG3 )) (( segid " " and resid 895 and name HB3 )) 2.400 0.700 0.700 peak 3154 spectrum 1 weight 0.10000E+01 volume 0.76931E-02 ppm1 2.284 ppm2 2.060 CV 1 OR { 3154} (( segid " " and resid 895 and name HG2 )) (( segid " " and resid 895 and name HB3 )) ASSI { 3156} (( segid " " and resid 895 and name HA )) ( segid " " and resid 894 and name HB% ) 3.600 1.600 1.600 peak 3156 spectrum 1 weight 0.10000E+01 volume 0.81973E-03 ppm1 4.135 ppm2 1.535 CV 1 ASSI { 3157} (( segid " " and resid 895 and name HG2 )) ( segid " " and resid 894 and name HB% ) 3.800 1.800 1.800 peak 3157 spectrum 1 weight 0.10000E+01 volume 0.71454E-03 ppm1 2.286 ppm2 1.534 CV 1 OR { 3157} (( segid " " and resid 895 and name HG3 )) ( segid " " and resid 894 and name HB% ) ASSI { 3160} (( segid " " and resid 810 and name HG2 )) ( segid " " and resid 807 and name HG2%) 3.900 2.000 2.000 peak 3160 spectrum 1 weight 0.10000E+01 volume 0.60012E-03 ppm1 2.362 ppm2 1.168 CV 1 ASSI { 3161} (( segid " " and resid 810 and name HG3 )) ( segid " " and resid 807 and name HG2%) 3.900 1.900 1.900 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.57535E-03 ppm1 2.323 ppm2 1.167 CV 1 ASSI { 3162} (( segid " " and resid 896 and name HA3 )) (( segid " " and resid 893 and name HA )) 3.500 1.500 1.500 peak 3162 spectrum 1 weight 0.10000E+01 volume 0.66195E-03 ppm1 3.929 ppm2 4.145 CV 1 ASSI { 3163} (( segid " " and resid 896 and name HA3 )) ( segid " " and resid 899 and name HE% ) 4.600 2.700 1.400 peak 3163 spectrum 1 weight 0.10000E+01 volume 0.43306E-03 ppm1 3.922 ppm2 2.037 CV 1 ASSI { 3164} (( segid " " and resid 896 and name HA3 )) (( segid " " and resid 899 and name HB3 )) 4.600 2.700 1.400 peak 3164 spectrum 1 weight 0.10000E+01 volume 0.61246E-03 ppm1 3.926 ppm2 2.162 CV 1 ASSI { 3165} (( segid " " and resid 896 and name HA3 )) ( segid " " and resid 866 and name HB% ) 3.900 1.900 1.900 peak 3165 spectrum 1 weight 0.10000E+01 volume 0.42069E-03 ppm1 3.923 ppm2 1.379 CV 1 ASSI { 3166} (( segid " " and resid 897 and name HB2 )) (( segid " " and resid 898 and name H )) 4.300 2.300 1.700 peak 3166 spectrum 1 weight 0.10000E+01 volume 0.59701E-03 ppm1 1.303 ppm2 8.684 CV 1 ASSI { 3167} (( segid " " and resid 897 and name HG )) (( segid " " and resid 897 and name H )) 5.200 3.300 0.800 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.31552E-03 ppm1 1.382 ppm2 8.075 CV 1 ASSI { 3169} ( segid " " and resid 897 and name HD1%) (( segid " " and resid 897 and name H )) 3.800 1.800 1.800 peak 3169 spectrum 1 weight 0.10000E+01 volume 0.15559E-02 ppm1 0.861 ppm2 8.084 CV 1 ASSI { 3170} ( segid " " and resid 897 and name HD1%) (( segid " " and resid 809 and name H )) 3.200 3.200 2.800 peak 3170 spectrum 1 weight 0.10000E+01 volume 0.59084E-03 ppm1 0.861 ppm2 7.968 CV 1 ASSI { 3171} ( segid " " and resid 897 and name HD1%) (( segid " " and resid 898 and name H )) 3.400 1.500 1.500 peak 3171 spectrum 1 weight 0.10000E+01 volume 0.83830E-03 ppm1 0.862 ppm2 8.686 CV 1 ASSI { 3172} ( segid " " and resid 897 and name HD1%) (( segid " " and resid 870 and name H )) 3.000 3.000 3.000 peak 3172 spectrum 1 weight 0.10000E+01 volume 0.74545E-03 ppm1 0.861 ppm2 7.722 CV 1 ASSI { 3173} (( segid " " and resid 897 and name HA )) (( segid " " and resid 897 and name H )) 2.600 0.900 0.900 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.25612E-02 ppm1 4.108 ppm2 8.078 CV 1 ASSI { 3174} (( segid " " and resid 897 and name HA )) (( segid " " and resid 901 and name H )) 3.800 1.800 1.800 peak 3174 spectrum 1 weight 0.10000E+01 volume 0.42687E-03 ppm1 4.108 ppm2 8.440 CV 1 ASSI { 3175} (( segid " " and resid 897 and name HA )) (( segid " " and resid 898 and name H )) 3.400 1.500 1.500 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.64960E-03 ppm1 4.109 ppm2 8.687 CV 1 ASSI { 3176} ( segid " " and resid 897 and name HD2%) (( segid " " and resid 867 and name H )) 2.800 1.000 1.000 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.26293E-02 ppm1 0.815 ppm2 8.468 CV 1 ASSI { 3177} ( segid " " and resid 897 and name HD2%) (( segid " " and resid 870 and name H )) 3.000 3.000 3.000 peak 3177 spectrum 1 weight 0.10000E+01 volume 0.81973E-03 ppm1 0.815 ppm2 7.724 CV 1 ASSI { 3178} ( segid " " and resid 897 and name HD2%) (( segid " " and resid 898 and name H )) 3.800 1.800 1.800 peak 3178 spectrum 1 weight 0.10000E+01 volume 0.88467E-03 ppm1 0.815 ppm2 8.688 CV 1 ASSI { 3180} (( segid " " and resid 897 and name HG )) (( segid " " and resid 897 and name HA )) 3.800 1.800 1.800 peak 3180 spectrum 1 weight 0.10000E+01 volume 0.78259E-03 ppm1 1.384 ppm2 4.123 CV 1 ASSI { 3182} ( segid " " and resid 897 and name HD1%) (( segid " " and resid 870 and name HB3 )) 4.000 2.000 2.000 peak 3182 spectrum 1 weight 0.10000E+01 volume 0.13549E-02 ppm1 0.861 ppm2 2.411 CV 1 ASSI { 3183} ( segid " " and resid 897 and name HD1%) (( segid " " and resid 870 and name HG3 )) 3.700 1.700 1.700 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.16487E-02 ppm1 0.861 ppm2 2.116 CV 1 ASSI { 3184} ( segid " " and resid 897 and name HD1%) (( segid " " and resid 897 and name HB3 )) 2.300 0.700 0.700 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.40708E-02 ppm1 0.861 ppm2 1.990 CV 1 ASSI { 3185} ( segid " " and resid 897 and name HD1%) (( segid " " and resid 805 and name HB )) 4.200 2.200 1.800 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.67123E-03 ppm1 0.861 ppm2 1.856 CV 1 ASSI { 3187} (( segid " " and resid 897 and name HG )) (( segid " " and resid 897 and name HB3 )) 3.200 1.300 1.300 peak 3187 spectrum 1 weight 0.10000E+01 volume 0.81045E-03 ppm1 1.378 ppm2 1.991 CV 1 ASSI { 3188} (( segid " " and resid 897 and name HA )) ( segid " " and resid 866 and name HB% ) 2.100 0.600 0.600 peak 3188 spectrum 1 weight 0.10000E+01 volume 0.67869E-02 ppm1 4.109 ppm2 1.375 CV 1 ASSI { 3190} (( segid " " and resid 911 and name HA )) (( segid " " and resid 911 and name HG2 )) 3.000 1.100 1.100 peak 3190 spectrum 1 weight 0.10000E+01 volume 0.22674E-02 ppm1 4.070 ppm2 1.299 CV 1 OR { 3190} (( segid " " and resid 911 and name HA )) (( segid " " and resid 911 and name HG3 )) ASSI { 3192} ( segid " " and resid 897 and name HD1%) ( segid " " and resid 894 and name HB% ) 3.100 1.200 1.200 peak 3192 spectrum 1 weight 0.10000E+01 volume 0.71143E-03 ppm1 0.861 ppm2 1.541 CV 1 ASSI { 3193} ( segid " " and resid 897 and name HD1%) (( segid " " and resid 897 and name HG )) 2.000 0.500 0.500 peak 3193 spectrum 1 weight 0.10000E+01 volume 0.12259E-01 ppm1 0.861 ppm2 1.380 CV 1 ASSI { 3194} ( segid " " and resid 897 and name HD1%) (( segid " " and resid 897 and name HB2 )) 3.100 1.200 1.200 peak 3194 spectrum 1 weight 0.10000E+01 volume 0.39285E-02 ppm1 0.861 ppm2 1.307 CV 1 ASSI { 3196} ( segid " " and resid 897 and name HD1%) ( segid " " and resid 809 and name HG2%) 2.900 1.100 1.100 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.25241E-02 ppm1 0.861 ppm2 1.167 CV 1 ASSI { 3198} ( segid " " and resid 897 and name HD1%) ( segid " " and resid 805 and name HG2%) 2.400 0.700 0.700 peak 3198 spectrum 1 weight 0.10000E+01 volume 0.43028E-02 ppm1 0.860 ppm2 0.731 CV 1 ASSI { 3200} (( segid " " and resid 898 and name HA )) (( segid " " and resid 898 and name HB3 )) 3.000 1.100 1.100 peak 3200 spectrum 1 weight 0.10000E+01 volume 0.25984E-02 ppm1 3.776 ppm2 1.936 CV 1 ASSI { 3201} (( segid " " and resid 898 and name HA )) (( segid " " and resid 898 and name HB2 )) 2.500 0.800 0.800 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.25582E-02 ppm1 3.776 ppm2 1.897 CV 1 ASSI { 3202} (( segid " " and resid 898 and name HA )) (( segid " " and resid 898 and name HG3 )) 2.800 1.000 1.000 peak 3202 spectrum 1 weight 0.10000E+01 volume 0.18127E-02 ppm1 3.776 ppm2 1.734 CV 1 ASSI { 3203} (( segid " " and resid 898 and name HA )) (( segid " " and resid 898 and name HG2 )) 3.000 1.200 1.200 peak 3203 spectrum 1 weight 0.10000E+01 volume 0.20138E-02 ppm1 3.775 ppm2 1.455 CV 1 ASSI { 3204} (( segid " " and resid 898 and name HA )) ( segid " " and resid 809 and name HG2%) 4.300 2.400 1.700 peak 3204 spectrum 1 weight 0.10000E+01 volume 0.52895E-03 ppm1 3.776 ppm2 1.166 CV 1 ASSI { 3205} (( segid " " and resid 898 and name HA )) ( segid " " and resid 901 and name HG2%) 3.800 1.800 1.800 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.10208E-02 ppm1 3.775 ppm2 1.086 CV 1 ASSI { 3206} (( segid " " and resid 898 and name HA )) ( segid " " and resid 897 and name HD1%) 3.300 1.400 1.400 peak 3206 spectrum 1 weight 0.10000E+01 volume 0.74240E-03 ppm1 3.775 ppm2 0.866 CV 1 ASSI { 3208} (( segid " " and resid 898 and name HA )) ( segid " " and resid 805 and name HG2%) 3.600 1.700 1.700 peak 3208 spectrum 1 weight 0.10000E+01 volume 0.53823E-03 ppm1 3.778 ppm2 0.720 CV 1 ASSI { 3210} (( segid " " and resid 898 and name HA )) (( segid " " and resid 901 and name HB )) 2.500 0.800 0.800 peak 3210 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 3.776 ppm2 4.128 CV 1 ASSI { 3212} (( segid " " and resid 898 and name HA )) (( segid " " and resid 898 and name H )) 2.700 0.900 0.900 peak 3212 spectrum 1 weight 0.10000E+01 volume 0.27623E-02 ppm1 3.775 ppm2 8.685 CV 1 ASSI { 3213} (( segid " " and resid 898 and name HB2 )) (( segid " " and resid 898 and name HG2 )) 3.500 1.500 1.500 peak 3213 spectrum 1 weight 0.10000E+01 volume 0.99915E-03 ppm1 1.893 ppm2 1.452 CV 1 ASSI { 3215} (( segid " " and resid 898 and name HG2 )) (( segid " " and resid 899 and name H )) 4.000 2.000 2.000 peak 3215 spectrum 1 weight 0.10000E+01 volume 0.34645E-03 ppm1 1.455 ppm2 8.057 CV 1 ASSI { 3216} (( segid " " and resid 898 and name HG2 )) (( segid " " and resid 898 and name H )) 4.200 2.200 1.800 peak 3216 spectrum 1 weight 0.10000E+01 volume 0.78876E-03 ppm1 1.454 ppm2 8.683 CV 1 ASSI { 3218} (( segid " " and resid 898 and name HG3 )) (( segid " " and resid 899 and name H )) 4.400 2.400 1.600 peak 3218 spectrum 1 weight 0.10000E+01 volume 0.55061E-03 ppm1 1.731 ppm2 8.060 CV 1 ASSI { 3221} (( segid " " and resid 898 and name HG3 )) (( segid " " and resid 895 and name HA )) 4.500 2.500 1.500 peak 3221 spectrum 1 weight 0.10000E+01 volume 0.60629E-03 ppm1 1.738 ppm2 4.138 CV 1 ASSI { 3222} (( segid " " and resid 898 and name HG2 )) (( segid " " and resid 895 and name HA )) 4.400 2.400 1.600 peak 3222 spectrum 1 weight 0.10000E+01 volume 0.49493E-03 ppm1 1.455 ppm2 4.145 CV 1 ASSI { 3224} (( segid " " and resid 898 and name HG2 )) (( segid " " and resid 898 and name HB3 )) 2.700 0.900 0.900 peak 3224 spectrum 1 weight 0.10000E+01 volume 0.15869E-02 ppm1 1.454 ppm2 1.938 CV 1 ASSI { 3225} (( segid " " and resid 898 and name HG2 )) (( segid " " and resid 898 and name HG3 )) 2.000 0.500 0.500 peak 3225 spectrum 1 weight 0.10000E+01 volume 0.52648E-02 ppm1 1.455 ppm2 1.734 CV 1 ASSI { 3228} (( segid " " and resid 889 and name HD3 )) ( segid " " and resid 873 and name HB% ) 3.200 1.300 1.300 peak 3228 spectrum 1 weight 0.10000E+01 volume 0.92798E-03 ppm1 3.134 ppm2 1.351 CV 1 ASSI { 3229} (( segid " " and resid 898 and name HG2 )) ( segid " " and resid 806 and name HD1%) 3.300 1.300 1.300 peak 3229 spectrum 1 weight 0.10000E+01 volume 0.15590E-02 ppm1 1.457 ppm2 0.804 CV 1 ASSI { 3231} (( segid " " and resid 898 and name HB2 )) ( segid " " and resid 806 and name HD1%) 4.200 2.200 1.800 peak 3231 spectrum 1 weight 0.10000E+01 volume 0.51039E-03 ppm1 1.891 ppm2 0.815 CV 1 ASSI { 3232} (( segid " " and resid 898 and name HB3 )) ( segid " " and resid 806 and name HD1%) 4.400 2.500 1.600 peak 3232 spectrum 1 weight 0.10000E+01 volume 0.55061E-03 ppm1 1.936 ppm2 0.803 CV 1 ASSI { 3234} (( segid " " and resid 899 and name HA )) (( segid " " and resid 899 and name HB2 )) 2.600 0.800 0.800 peak 3234 spectrum 1 weight 0.10000E+01 volume 0.33717E-02 ppm1 4.160 ppm2 2.092 CV 1 ASSI { 3235} (( segid " " and resid 899 and name HA )) (( segid " " and resid 902 and name HB2 )) 3.300 1.400 1.400 peak 3235 spectrum 1 weight 0.10000E+01 volume 0.18776E-02 ppm1 4.159 ppm2 2.801 CV 1 ASSI { 3237} (( segid " " and resid 899 and name HA )) (( segid " " and resid 899 and name HG3 )) 3.000 1.100 1.100 peak 3237 spectrum 1 weight 0.10000E+01 volume 0.19457E-02 ppm1 4.159 ppm2 2.563 CV 1 ASSI { 3238} (( segid " " and resid 899 and name HB3 )) (( segid " " and resid 899 and name HG2 )) 2.600 0.800 0.800 peak 3238 spectrum 1 weight 0.10000E+01 volume 0.34923E-02 ppm1 2.166 ppm2 2.724 CV 1 ASSI { 3240} (( segid " " and resid 899 and name HG2 )) (( segid " " and resid 899 and name HG3 )) 2.000 0.500 0.500 peak 3240 spectrum 1 weight 0.10000E+01 volume 0.87633E-02 ppm1 2.731 ppm2 2.564 CV 1 ASSI { 3243} (( segid " " and resid 899 and name HG2 )) (( segid " " and resid 899 and name HB2 )) 2.800 1.000 1.000 peak 3243 spectrum 1 weight 0.10000E+01 volume 0.42502E-02 ppm1 2.726 ppm2 2.092 CV 1 ASSI { 3244} (( segid " " and resid 899 and name HG3 )) (( segid " " and resid 899 and name HB3 )) 2.900 1.000 1.000 peak 3244 spectrum 1 weight 0.10000E+01 volume 0.34985E-02 ppm1 2.565 ppm2 2.164 CV 1 ASSI { 3245} (( segid " " and resid 899 and name HG3 )) (( segid " " and resid 899 and name HB2 )) 2.500 0.800 0.800 peak 3245 spectrum 1 weight 0.10000E+01 volume 0.42285E-02 ppm1 2.566 ppm2 2.094 CV 1 ASSI { 3246} (( segid " " and resid 899 and name HB3 )) (( segid " " and resid 899 and name HB2 )) 2.300 0.600 0.600 peak 3246 spectrum 1 weight 0.10000E+01 volume 0.31273E-02 ppm1 2.167 ppm2 2.086 CV 1 ASSI { 3249} (( segid " " and resid 899 and name HG2 )) (( segid " " and resid 899 and name HA )) 3.100 1.200 1.200 peak 3249 spectrum 1 weight 0.10000E+01 volume 0.18034E-02 ppm1 2.724 ppm2 4.159 CV 1 ASSI { 3251} (( segid " " and resid 899 and name HA )) (( segid " " and resid 902 and name HD22)) 4.700 2.700 1.300 peak 3251 spectrum 1 weight 0.10000E+01 volume 0.54751E-03 ppm1 4.160 ppm2 6.715 CV 1 ASSI { 3253} (( segid " " and resid 899 and name HA )) (( segid " " and resid 902 and name H )) 3.300 1.300 1.300 peak 3253 spectrum 1 weight 0.10000E+01 volume 0.12033E-02 ppm1 4.159 ppm2 7.961 CV 1 ASSI { 3257} ( segid " " and resid 900 and name HB% ) (( segid " " and resid 863 and name HB2 )) 3.500 1.600 1.600 peak 3257 spectrum 1 weight 0.10000E+01 volume 0.85993E-03 ppm1 1.392 ppm2 1.624 CV 1 ASSI { 3258} (( segid " " and resid 901 and name HA )) (( segid " " and resid 902 and name H )) 3.400 1.400 1.400 peak 3258 spectrum 1 weight 0.10000E+01 volume 0.91253E-03 ppm1 3.696 ppm2 7.962 CV 1 ASSI { 3259} (( segid " " and resid 901 and name HA )) (( segid " " and resid 901 and name H )) 2.800 1.000 1.000 peak 3259 spectrum 1 weight 0.10000E+01 volume 0.21777E-02 ppm1 3.697 ppm2 8.437 CV 1 ASSI { 3260} (( segid " " and resid 901 and name HA )) (( segid " " and resid 904 and name H )) 3.100 1.200 1.200 peak 3260 spectrum 1 weight 0.10000E+01 volume 0.11847E-02 ppm1 3.696 ppm2 7.724 CV 1 ASSI { 3261} (( segid " " and resid 901 and name HA )) (( segid " " and resid 901 and name HB )) 2.600 0.900 0.900 peak 3261 spectrum 1 weight 0.10000E+01 volume 0.33655E-02 ppm1 3.696 ppm2 4.125 CV 1 ASSI { 3263} (( segid " " and resid 901 and name HA )) ( segid " " and resid 900 and name HB% ) 3.600 1.600 1.600 peak 3263 spectrum 1 weight 0.10000E+01 volume 0.94967E-03 ppm1 3.696 ppm2 1.393 CV 1 ASSI { 3265} (( segid " " and resid 901 and name HA )) ( segid " " and resid 802 and name HG2%) 3.700 1.700 1.700 peak 3265 spectrum 1 weight 0.10000E+01 volume 0.76097E-03 ppm1 3.697 ppm2 1.163 CV 1 ASSI { 3268} ( segid " " and resid 901 and name HG2%) (( segid " " and resid 901 and name H )) 3.000 1.100 1.100 peak 3268 spectrum 1 weight 0.10000E+01 volume 0.47420E-02 ppm1 1.085 ppm2 8.440 CV 1 ASSI { 3269} ( segid " " and resid 901 and name HG2%) (( segid " " and resid 902 and name H )) 3.100 1.200 1.200 peak 3269 spectrum 1 weight 0.10000E+01 volume 0.22828E-02 ppm1 1.085 ppm2 7.962 CV 1 ASSI { 3270} ( segid " " and resid 901 and name HG2%) (( segid " " and resid 903 and name H )) 3.600 1.600 1.600 peak 3270 spectrum 1 weight 0.10000E+01 volume 0.10795E-02 ppm1 1.086 ppm2 7.888 CV 1 ASSI { 3272} ( segid " " and resid 901 and name HG2%) (( segid " " and resid 901 and name HA )) 2.200 0.600 0.600 peak 3272 spectrum 1 weight 0.10000E+01 volume 0.81785E-02 ppm1 1.085 ppm2 3.704 CV 1 ASSI { 3273} ( segid " " and resid 901 and name HG2%) (( segid " " and resid 805 and name HB )) 2.100 0.500 0.500 peak 3273 spectrum 1 weight 0.10000E+01 volume 0.58401E-02 ppm1 1.085 ppm2 1.855 CV 1 ASSI { 3274} (( segid " " and resid 902 and name HA )) (( segid " " and resid 902 and name H )) 2.500 0.800 0.800 peak 3274 spectrum 1 weight 0.10000E+01 volume 0.38759E-02 ppm1 4.429 ppm2 7.962 CV 1 ASSI { 3275} (( segid " " and resid 902 and name HA )) (( segid " " and resid 903 and name H )) 3.200 1.300 1.300 peak 3275 spectrum 1 weight 0.10000E+01 volume 0.13487E-02 ppm1 4.429 ppm2 7.898 CV 1 ASSI { 3276} (( segid " " and resid 902 and name HA )) (( segid " " and resid 905 and name H )) 3.000 1.100 1.100 peak 3276 spectrum 1 weight 0.10000E+01 volume 0.18560E-02 ppm1 4.430 ppm2 7.824 CV 1 ASSI { 3277} (( segid " " and resid 902 and name HA )) (( segid " " and resid 904 and name H )) 4.000 2.000 2.000 peak 3277 spectrum 1 weight 0.10000E+01 volume 0.46399E-03 ppm1 4.428 ppm2 7.724 CV 1 ASSI { 3278} (( segid " " and resid 902 and name HA )) (( segid " " and resid 902 and name HD21)) 3.800 1.800 1.800 peak 3278 spectrum 1 weight 0.10000E+01 volume 0.66195E-03 ppm1 4.430 ppm2 7.412 CV 1 ASSI { 3279} (( segid " " and resid 902 and name HB2 )) (( segid " " and resid 902 and name HD21)) 2.600 0.800 0.800 peak 3279 spectrum 1 weight 0.10000E+01 volume 0.18096E-02 ppm1 2.802 ppm2 7.413 CV 1 ASSI { 3280} (( segid " " and resid 902 and name HB3 )) (( segid " " and resid 902 and name HD21)) 3.300 1.300 1.300 peak 3280 spectrum 1 weight 0.10000E+01 volume 0.18745E-02 ppm1 2.710 ppm2 7.413 CV 1 ASSI { 3281} (( segid " " and resid 902 and name HB3 )) (( segid " " and resid 902 and name H )) 2.700 0.900 0.900 peak 3281 spectrum 1 weight 0.10000E+01 volume 0.36500E-02 ppm1 2.708 ppm2 7.962 CV 1 ASSI { 3282} (( segid " " and resid 902 and name HB3 )) (( segid " " and resid 903 and name H )) 2.800 1.000 1.000 peak 3282 spectrum 1 weight 0.10000E+01 volume 0.19147E-02 ppm1 2.709 ppm2 7.897 CV 1 ASSI { 3283} (( segid " " and resid 902 and name HA )) (( segid " " and resid 901 and name H )) 4.500 2.600 1.500 peak 3283 spectrum 1 weight 0.10000E+01 volume 0.48874E-03 ppm1 4.429 ppm2 8.434 CV 1 ASSI { 3284} (( segid " " and resid 902 and name HB2 )) (( segid " " and resid 902 and name HD22)) 4.100 2.100 1.900 peak 3284 spectrum 1 weight 0.10000E+01 volume 0.10269E-02 ppm1 2.803 ppm2 6.716 CV 1 ASSI { 3285} (( segid " " and resid 902 and name HB3 )) (( segid " " and resid 902 and name HD22)) 4.100 2.100 1.900 peak 3285 spectrum 1 weight 0.10000E+01 volume 0.10734E-02 ppm1 2.709 ppm2 6.717 CV 1 ASSI { 3286} (( segid " " and resid 902 and name HB3 )) (( segid " " and resid 902 and name HA )) 2.800 1.000 1.000 peak 3286 spectrum 1 weight 0.10000E+01 volume 0.34923E-02 ppm1 2.707 ppm2 4.430 CV 1 ASSI { 3288} (( segid " " and resid 902 and name HB3 )) (( segid " " and resid 899 and name HA )) 2.900 1.000 1.000 peak 3288 spectrum 1 weight 0.10000E+01 volume 0.15590E-02 ppm1 2.709 ppm2 4.158 CV 1 ASSI { 3289} (( segid " " and resid 902 and name HB3 )) (( segid " " and resid 902 and name HB2 )) 1.700 0.400 0.500 peak 3289 spectrum 1 weight 0.10000E+01 volume 0.14857E-01 ppm1 2.709 ppm2 2.800 CV 1 ASSI { 3293} ( segid " " and resid 903 and name HB% ) (( segid " " and resid 907 and name HD21)) 3.700 1.700 1.700 peak 3293 spectrum 1 weight 0.10000E+01 volume 0.99603E-03 ppm1 1.420 ppm2 7.414 CV 1 ASSI { 3294} ( segid " " and resid 903 and name HB% ) (( segid " " and resid 907 and name HD22)) 3.400 1.400 1.400 peak 3294 spectrum 1 weight 0.10000E+01 volume 0.77642E-03 ppm1 1.419 ppm2 6.876 CV 1 ASSI { 3296} (( segid " " and resid 904 and name HA )) ( segid " " and resid 863 and name HD2%) 4.000 2.000 2.000 peak 3296 spectrum 1 weight 0.10000E+01 volume 0.50420E-03 ppm1 3.925 ppm2 0.685 CV 1 ASSI { 3298} ( segid " " and resid 905 and name HB% ) (( segid " " and resid 904 and name H )) 3.900 1.900 1.900 peak 3298 spectrum 1 weight 0.10000E+01 volume 0.11754E-02 ppm1 1.510 ppm2 7.723 CV 1 ASSI { 3299} ( segid " " and resid 905 and name HB% ) (( segid " " and resid 902 and name H )) 3.100 1.200 1.200 peak 3299 spectrum 1 weight 0.10000E+01 volume 0.59389E-03 ppm1 1.511 ppm2 7.964 CV 1 ASSI { 3300} ( segid " " and resid 905 and name HB% ) (( segid " " and resid 906 and name HE21)) 3.400 1.500 1.500 peak 3300 spectrum 1 weight 0.10000E+01 volume 0.74857E-03 ppm1 1.510 ppm2 7.400 CV 1 ASSI { 3301} (( segid " " and resid 905 and name HA )) (( segid " " and resid 905 and name H )) 2.400 0.700 0.700 peak 3301 spectrum 1 weight 0.10000E+01 volume 0.60688E-02 ppm1 4.168 ppm2 7.825 CV 1 ASSI { 3302} (( segid " " and resid 905 and name HA )) ( segid " " and resid 798 and name HD% ) 3.400 1.400 1.400 peak 3302 spectrum 1 weight 0.10000E+01 volume 0.14755E-02 ppm1 4.169 ppm2 6.926 CV 1 ASSI { 3303} ( segid " " and resid 905 and name HB% ) ( segid " " and resid 798 and name HD% ) 4.000 2.000 2.000 peak 3303 spectrum 1 weight 0.10000E+01 volume 0.10517E-02 ppm1 1.511 ppm2 6.925 CV 1 ASSI { 3304} ( segid " " and resid 905 and name HB% ) (( segid " " and resid 902 and name HA )) 2.400 0.700 0.700 peak 3304 spectrum 1 weight 0.10000E+01 volume 0.57350E-02 ppm1 1.511 ppm2 4.430 CV 1 ASSI { 3305} ( segid " " and resid 905 and name HB% ) (( segid " " and resid 905 and name HA )) 2.000 0.500 0.500 peak 3305 spectrum 1 weight 0.10000E+01 volume 0.15262E-01 ppm1 1.511 ppm2 4.169 CV 1 ASSI { 3306} (( segid " " and resid 905 and name HA )) (( segid " " and resid 798 and name HB2 )) 3.400 1.400 1.400 peak 3306 spectrum 1 weight 0.10000E+01 volume 0.56298E-03 ppm1 4.170 ppm2 3.344 CV 1 ASSI { 3307} ( segid " " and resid 905 and name HB% ) (( segid " " and resid 902 and name HB2 )) 3.100 3.100 2.900 peak 3307 spectrum 1 weight 0.10000E+01 volume 0.62792E-03 ppm1 1.512 ppm2 2.798 CV 1 ASSI { 3308} ( segid " " and resid 905 and name HB% ) (( segid " " and resid 902 and name HB3 )) 2.700 2.700 3.300 peak 3308 spectrum 1 weight 0.10000E+01 volume 0.15899E-02 ppm1 1.511 ppm2 2.723 CV 1 ASSI { 3309} (( segid " " and resid 905 and name HA )) (( segid " " and resid 798 and name HB3 )) 3.400 1.500 1.500 peak 3309 spectrum 1 weight 0.10000E+01 volume 0.11290E-02 ppm1 4.169 ppm2 2.736 CV 1 ASSI { 3313} (( segid " " and resid 905 and name HA )) ( segid " " and resid 802 and name HG2%) 3.200 1.300 1.300 peak 3313 spectrum 1 weight 0.10000E+01 volume 0.90941E-03 ppm1 4.168 ppm2 1.160 CV 1 ASSI { 3316} (( segid " " and resid 906 and name HA )) ( segid " " and resid 905 and name HB% ) 3.500 1.500 1.500 peak 3316 spectrum 1 weight 0.10000E+01 volume 0.10301E-02 ppm1 4.109 ppm2 1.509 CV 1 ASSI { 3317} (( segid " " and resid 906 and name HG2 )) (( segid " " and resid 906 and name HE21)) 2.800 1.000 1.000 peak 3317 spectrum 1 weight 0.10000E+01 volume 0.21653E-02 ppm1 2.405 ppm2 7.395 CV 1 OR { 3317} (( segid " " and resid 906 and name HG3 )) (( segid " " and resid 906 and name HE21)) ASSI { 3318} (( segid " " and resid 906 and name HA )) (( segid " " and resid 906 and name H )) 2.300 0.700 0.700 peak 3318 spectrum 1 weight 0.10000E+01 volume 0.85435E-02 ppm1 4.109 ppm2 7.828 CV 1 ASSI { 3321} (( segid " " and resid 906 and name HG2 )) (( segid " " and resid 906 and name HA )) 2.700 0.900 0.900 peak 3321 spectrum 1 weight 0.10000E+01 volume 0.44141E-02 ppm1 2.405 ppm2 4.106 CV 1 OR { 3321} (( segid " " and resid 906 and name HG3 )) (( segid " " and resid 906 and name HA )) ASSI { 3322} (( segid " " and resid 906 and name HB2 )) (( segid " " and resid 906 and name HA )) 2.900 1.000 1.000 peak 3322 spectrum 1 weight 0.10000E+01 volume 0.35851E-02 ppm1 2.107 ppm2 4.116 CV 1 ASSI { 3325} (( segid " " and resid 906 and name HA )) (( segid " " and resid 906 and name HB3 )) 2.600 0.800 0.800 peak 3325 spectrum 1 weight 0.10000E+01 volume 0.35604E-02 ppm1 4.108 ppm2 2.032 CV 1 ASSI { 3327} (( segid " " and resid 906 and name HB2 )) (( segid " " and resid 906 and name HB3 )) 1.800 0.400 0.400 peak 3327 spectrum 1 weight 0.10000E+01 volume 0.13252E-01 ppm1 2.103 ppm2 2.031 CV 1 ASSI { 3329} (( segid " " and resid 906 and name HG3 )) (( segid " " and resid 906 and name HB2 )) 2.500 0.800 0.800 peak 3329 spectrum 1 weight 0.10000E+01 volume 0.51998E-02 ppm1 2.403 ppm2 2.106 CV 1 OR { 3329} (( segid " " and resid 906 and name HG2 )) (( segid " " and resid 906 and name HB2 )) ASSI { 3330} (( segid " " and resid 906 and name HG3 )) (( segid " " and resid 906 and name HB3 )) 2.600 0.900 0.900 peak 3330 spectrum 1 weight 0.10000E+01 volume 0.43677E-02 ppm1 2.403 ppm2 2.032 CV 1 OR { 3330} (( segid " " and resid 906 and name HG2 )) (( segid " " and resid 906 and name HB3 )) ASSI { 3331} (( segid " " and resid 907 and name HA )) (( segid " " and resid 907 and name H )) 2.500 0.800 0.800 peak 3331 spectrum 1 weight 0.10000E+01 volume 0.47853E-02 ppm1 4.601 ppm2 7.825 CV 1 ASSI { 3332} (( segid " " and resid 907 and name HA )) (( segid " " and resid 908 and name H )) 2.700 0.900 0.900 peak 3332 spectrum 1 weight 0.10000E+01 volume 0.44915E-02 ppm1 4.601 ppm2 7.792 CV 1 ASSI { 3333} (( segid " " and resid 907 and name HB2 )) (( segid " " and resid 907 and name H )) 2.300 0.700 0.700 peak 3333 spectrum 1 weight 0.10000E+01 volume 0.55586E-02 ppm1 2.717 ppm2 7.828 CV 1 ASSI { 3334} (( segid " " and resid 907 and name HB2 )) (( segid " " and resid 907 and name HD21)) 2.400 0.700 0.700 peak 3334 spectrum 1 weight 0.10000E+01 volume 0.37429E-02 ppm1 2.716 ppm2 7.417 CV 1 OR { 3334} (( segid " " and resid 907 and name HB3 )) (( segid " " and resid 907 and name HD21)) ASSI { 3335} (( segid " " and resid 907 and name HA )) (( segid " " and resid 907 and name HD21)) 4.200 2.200 1.800 peak 3335 spectrum 1 weight 0.10000E+01 volume 0.70220E-03 ppm1 4.602 ppm2 7.416 CV 1 ASSI { 3336} (( segid " " and resid 907 and name HA )) (( segid " " and resid 907 and name HD22)) 4.200 2.200 1.800 peak 3336 spectrum 1 weight 0.10000E+01 volume 0.62792E-03 ppm1 4.601 ppm2 6.875 CV 1 ASSI { 3337} (( segid " " and resid 907 and name HB2 )) (( segid " " and resid 907 and name HD22)) 3.700 1.700 1.700 peak 3337 spectrum 1 weight 0.10000E+01 volume 0.20075E-02 ppm1 2.717 ppm2 6.876 CV 1 OR { 3337} (( segid " " and resid 907 and name HB3 )) (( segid " " and resid 907 and name HD22)) ASSI { 3340} (( segid " " and resid 907 and name HA )) (( segid " " and resid 907 and name HB3 )) 2.400 0.700 0.700 peak 3340 spectrum 1 weight 0.10000E+01 volume 0.78201E-02 ppm1 4.601 ppm2 2.716 CV 1 OR { 3340} (( segid " " and resid 907 and name HA )) (( segid " " and resid 907 and name HB2 )) ASSI { 3341} (( segid " " and resid 907 and name HA )) ( segid " " and resid 908 and name HB% ) 4.100 2.100 1.900 peak 3341 spectrum 1 weight 0.10000E+01 volume 0.77025E-03 ppm1 4.600 ppm2 1.282 CV 1 ASSI { 3344} (( segid " " and resid 908 and name HA )) (( segid " " and resid 908 and name H )) 2.700 0.900 0.900 peak 3344 spectrum 1 weight 0.10000E+01 volume 0.32820E-02 ppm1 4.261 ppm2 7.787 CV 1 ASSI { 3345} (( segid " " and resid 908 and name HA )) (( segid " " and resid 909 and name H )) 2.200 0.600 0.600 peak 3345 spectrum 1 weight 0.10000E+01 volume 0.88749E-02 ppm1 4.261 ppm2 7.738 CV 1 ASSI { 3346} ( segid " " and resid 908 and name HB% ) (( segid " " and resid 908 and name H )) 2.200 0.600 0.600 peak 3346 spectrum 1 weight 0.10000E+01 volume 0.11900E-01 ppm1 1.281 ppm2 7.787 CV 1 ASSI { 3347} ( segid " " and resid 908 and name HB% ) (( segid " " and resid 909 and name H )) 3.100 1.200 1.200 peak 3347 spectrum 1 weight 0.10000E+01 volume 0.47977E-02 ppm1 1.281 ppm2 7.738 CV 1 ASSI { 3348} ( segid " " and resid 908 and name HB% ) (( segid " " and resid 798 and name H )) 3.100 1.200 1.200 peak 3348 spectrum 1 weight 0.10000E+01 volume 0.16704E-02 ppm1 1.282 ppm2 8.372 CV 1 ASSI { 3349} (( segid " " and resid 908 and name HA )) ( segid " " and resid 798 and name HE% ) 3.200 1.300 1.300 peak 3349 spectrum 1 weight 0.10000E+01 volume 0.11229E-02 ppm1 4.261 ppm2 6.536 CV 1 ASSI { 3350} ( segid " " and resid 908 and name HB% ) ( segid " " and resid 798 and name HD% ) 2.700 0.900 0.900 peak 3350 spectrum 1 weight 0.10000E+01 volume 0.30593E-02 ppm1 1.281 ppm2 6.924 CV 1 ASSI { 3351} ( segid " " and resid 908 and name HB% ) ( segid " " and resid 798 and name HE% ) 3.300 1.400 1.400 peak 3351 spectrum 1 weight 0.10000E+01 volume 0.25025E-02 ppm1 1.281 ppm2 6.536 CV 1 ASSI { 3352} ( segid " " and resid 908 and name HB% ) (( segid " " and resid 908 and name HA )) 2.000 0.500 0.500 peak 3352 spectrum 1 weight 0.10000E+01 volume 0.16543E-01 ppm1 1.282 ppm2 4.263 CV 1 ASSI { 3353} ( segid " " and resid 908 and name HB% ) (( segid " " and resid 905 and name HA )) 3.100 1.200 1.200 peak 3353 spectrum 1 weight 0.10000E+01 volume 0.15652E-02 ppm1 1.281 ppm2 4.167 CV 1 ASSI { 3354} ( segid " " and resid 908 and name HB% ) (( segid " " and resid 907 and name HB2 )) 2.700 2.700 3.300 peak 3354 spectrum 1 weight 0.10000E+01 volume 0.14229E-02 ppm1 1.282 ppm2 2.721 CV 1 OR { 3354} ( segid " " and resid 908 and name HB% ) (( segid " " and resid 907 and name HB3 )) ASSI { 3355} (( segid " " and resid 908 and name HA )) (( segid " " and resid 907 and name HB2 )) 3.700 1.700 1.700 peak 3355 spectrum 1 weight 0.10000E+01 volume 0.51658E-03 ppm1 4.262 ppm2 2.716 CV 1 OR { 3355} (( segid " " and resid 908 and name HA )) (( segid " " and resid 907 and name HB3 )) ASSI { 3357} ( segid " " and resid 909 and name HD1%) (( segid " " and resid 909 and name HB )) 2.600 0.900 0.900 peak 3357 spectrum 1 weight 0.10000E+01 volume 0.59049E-02 ppm1 0.753 ppm2 1.793 CV 1 ASSI { 3358} (( segid " " and resid 909 and name HA )) (( segid " " and resid 909 and name HG13)) 3.200 1.300 1.300 peak 3358 spectrum 1 weight 0.10000E+01 volume 0.18219E-02 ppm1 4.028 ppm2 1.402 CV 1 ASSI { 3359} (( segid " " and resid 909 and name HA )) ( segid " " and resid 908 and name HB% ) 3.000 3.000 3.000 peak 3359 spectrum 1 weight 0.10000E+01 volume 0.77331E-03 ppm1 4.029 ppm2 1.284 CV 1 ASSI { 3360} (( segid " " and resid 909 and name HA )) (( segid " " and resid 909 and name HG12)) 2.700 0.900 0.900 peak 3360 spectrum 1 weight 0.10000E+01 volume 0.21684E-02 ppm1 4.029 ppm2 1.108 CV 1 ASSI { 3361} (( segid " " and resid 909 and name HA )) ( segid " " and resid 909 and name HG2%) 2.400 0.700 0.700 peak 3361 spectrum 1 weight 0.10000E+01 volume 0.66600E-02 ppm1 4.029 ppm2 0.798 CV 1 ASSI { 3362} (( segid " " and resid 909 and name HA )) ( segid " " and resid 909 and name HD1%) 3.400 1.400 1.400 peak 3362 spectrum 1 weight 0.10000E+01 volume 0.18065E-02 ppm1 4.029 ppm2 0.751 CV 1 ASSI { 3363} (( segid " " and resid 909 and name HA )) (( segid " " and resid 909 and name HB )) 2.600 0.800 0.800 peak 3363 spectrum 1 weight 0.10000E+01 volume 0.46492E-02 ppm1 4.029 ppm2 1.794 CV 1 ASSI { 3364} (( segid " " and resid 909 and name HB )) (( segid " " and resid 909 and name HG13)) 2.700 0.900 0.900 peak 3364 spectrum 1 weight 0.10000E+01 volume 0.24994E-02 ppm1 1.795 ppm2 1.404 CV 1 ASSI { 3365} (( segid " " and resid 909 and name HB )) (( segid " " and resid 909 and name HG12)) 3.200 1.300 1.300 peak 3365 spectrum 1 weight 0.10000E+01 volume 0.16611E-02 ppm1 1.796 ppm2 1.107 CV 1 ASSI { 3368} ( segid " " and resid 909 and name HD1%) (( segid " " and resid 909 and name HG12)) 2.400 0.700 0.700 peak 3368 spectrum 1 weight 0.10000E+01 volume 0.61834E-02 ppm1 0.754 ppm2 1.103 CV 1 ASSI { 3372} (( segid " " and resid 909 and name HG12)) (( segid " " and resid 909 and name HG13)) 1.800 0.400 0.400 peak 3372 spectrum 1 weight 0.10000E+01 volume 0.14133E-01 ppm1 1.106 ppm2 1.404 CV 1 ASSI { 3375} ( segid " " and resid 909 and name HG2%) (( segid " " and resid 909 and name HG12)) 2.600 0.800 0.800 peak 3375 spectrum 1 weight 0.10000E+01 volume 0.49926E-02 ppm1 0.799 ppm2 1.108 CV 1 ASSI { 3376} ( segid " " and resid 909 and name HG2%) (( segid " " and resid 909 and name HG13)) 2.900 1.000 1.000 peak 3376 spectrum 1 weight 0.10000E+01 volume 0.51534E-02 ppm1 0.798 ppm2 1.403 CV 1 ASSI { 3377} ( segid " " and resid 909 and name HG2%) (( segid " " and resid 909 and name HB )) 2.100 0.500 0.500 peak 3377 spectrum 1 weight 0.10000E+01 volume 0.15191E-01 ppm1 0.799 ppm2 1.793 CV 1 ASSI { 3383} ( segid " " and resid 909 and name HG2%) (( segid " " and resid 910 and name HA )) 3.200 1.300 1.300 peak 3383 spectrum 1 weight 0.10000E+01 volume 0.14167E-02 ppm1 0.799 ppm2 4.255 CV 1 ASSI { 3384} (( segid " " and resid 909 and name HA )) (( segid " " and resid 910 and name H )) 2.000 0.500 0.500 peak 3384 spectrum 1 weight 0.10000E+01 volume 0.15138E-01 ppm1 4.029 ppm2 8.376 CV 1 ASSI { 3385} (( segid " " and resid 909 and name HA )) (( segid " " and resid 911 and name H )) 4.000 2.000 2.000 peak 3385 spectrum 1 weight 0.10000E+01 volume 0.10332E-02 ppm1 4.028 ppm2 7.969 CV 1 ASSI { 3386} (( segid " " and resid 909 and name HA )) (( segid " " and resid 909 and name H )) 2.500 0.800 0.800 peak 3386 spectrum 1 weight 0.10000E+01 volume 0.40058E-02 ppm1 4.029 ppm2 7.739 CV 1 ASSI { 3387} (( segid " " and resid 909 and name HB )) (( segid " " and resid 910 and name H )) 3.600 1.600 1.600 peak 3387 spectrum 1 weight 0.10000E+01 volume 0.13951E-02 ppm1 1.795 ppm2 8.376 CV 1 ASSI { 3388} (( segid " " and resid 909 and name HB )) (( segid " " and resid 909 and name H )) 2.500 0.800 0.800 peak 3388 spectrum 1 weight 0.10000E+01 volume 0.42966E-02 ppm1 1.795 ppm2 7.738 CV 1 ASSI { 3389} ( segid " " and resid 909 and name HD1%) (( segid " " and resid 909 and name H )) 3.500 1.600 1.600 peak 3389 spectrum 1 weight 0.10000E+01 volume 0.17693E-02 ppm1 0.754 ppm2 7.738 CV 1 ASSI { 3390} (( segid " " and resid 909 and name HG12)) (( segid " " and resid 909 and name H )) 3.000 1.100 1.100 peak 3390 spectrum 1 weight 0.10000E+01 volume 0.23169E-02 ppm1 1.107 ppm2 7.738 CV 1 ASSI { 3391} (( segid " " and resid 909 and name HG13)) (( segid " " and resid 909 and name H )) 2.800 1.000 1.000 peak 3391 spectrum 1 weight 0.10000E+01 volume 0.23045E-02 ppm1 1.407 ppm2 7.738 CV 1 ASSI { 3392} ( segid " " and resid 909 and name HG2%) (( segid " " and resid 910 and name H )) 2.700 0.900 0.900 peak 3392 spectrum 1 weight 0.10000E+01 volume 0.43584E-02 ppm1 0.798 ppm2 8.376 CV 1 ASSI { 3393} ( segid " " and resid 909 and name HG2%) (( segid " " and resid 911 and name H )) 3.100 1.200 1.200 peak 3393 spectrum 1 weight 0.10000E+01 volume 0.16549E-02 ppm1 0.798 ppm2 7.972 CV 1 ASSI { 3394} ( segid " " and resid 909 and name HG2%) (( segid " " and resid 909 and name H )) 3.300 1.300 1.300 peak 3394 spectrum 1 weight 0.10000E+01 volume 0.33810E-02 ppm1 0.799 ppm2 7.738 CV 1 ASSI { 3395} (( segid " " and resid 910 and name HA )) (( segid " " and resid 910 and name HB2 )) 2.500 0.800 0.800 peak 3395 spectrum 1 weight 0.10000E+01 volume 0.46709E-02 ppm1 4.253 ppm2 1.753 CV 1 ASSI { 3396} (( segid " " and resid 910 and name HA )) (( segid " " and resid 910 and name HB3 )) 2.700 0.900 0.900 peak 3396 spectrum 1 weight 0.10000E+01 volume 0.31521E-02 ppm1 4.254 ppm2 1.663 CV 1 ASSI { 3397} (( segid " " and resid 910 and name HA )) (( segid " " and resid 910 and name HD2 )) 3.500 1.500 1.500 peak 3397 spectrum 1 weight 0.10000E+01 volume 0.13517E-02 ppm1 4.253 ppm2 1.585 CV 1 OR { 3397} (( segid " " and resid 910 and name HA )) (( segid " " and resid 910 and name HD3 )) ASSI { 3398} (( segid " " and resid 910 and name HA )) (( segid " " and resid 910 and name HG2 )) 3.200 1.300 1.300 peak 3398 spectrum 1 weight 0.10000E+01 volume 0.14445E-02 ppm1 4.253 ppm2 1.364 CV 1 ASSI { 3399} (( segid " " and resid 910 and name HA )) (( segid " " and resid 910 and name HG3 )) 3.000 1.100 1.100 peak 3399 spectrum 1 weight 0.10000E+01 volume 0.20138E-02 ppm1 4.253 ppm2 1.319 CV 1 ASSI { 3401} (( segid " " and resid 910 and name HB3 )) (( segid " " and resid 910 and name HG2 )) 3.000 1.200 1.200 peak 3401 spectrum 1 weight 0.10000E+01 volume 0.12466E-02 ppm1 1.662 ppm2 1.368 CV 1 ASSI { 3402} (( segid " " and resid 910 and name HB2 )) (( segid " " and resid 910 and name HG3 )) 3.000 1.100 1.100 peak 3402 spectrum 1 weight 0.10000E+01 volume 0.12992E-02 ppm1 1.752 ppm2 1.323 CV 1 ASSI { 3403} (( segid " " and resid 910 and name HB2 )) (( segid " " and resid 910 and name HB3 )) 1.600 0.300 0.600 peak 3403 spectrum 1 weight 0.10000E+01 volume 0.24644E-01 ppm1 1.754 ppm2 1.663 CV 1 ASSI { 3405} (( segid " " and resid 910 and name HG2 )) (( segid " " and resid 910 and name HB2 )) 3.300 1.300 1.300 peak 3405 spectrum 1 weight 0.10000E+01 volume 0.13487E-02 ppm1 1.368 ppm2 1.750 CV 1 ASSI { 3407} (( segid " " and resid 911 and name HG3 )) (( segid " " and resid 911 and name HB2 )) 3.000 1.100 1.100 peak 3407 spectrum 1 weight 0.10000E+01 volume 0.16889E-02 ppm1 1.303 ppm2 1.720 CV 1 OR { 3407} (( segid " " and resid 911 and name HG2 )) (( segid " " and resid 911 and name HB2 )) ASSI { 3412} (( segid " " and resid 911 and name HB3 )) (( segid " " and resid 911 and name HG2 )) 3.100 1.200 1.200 peak 3412 spectrum 1 weight 0.10000E+01 volume 0.14445E-02 ppm1 1.611 ppm2 1.310 CV 1 OR { 3412} (( segid " " and resid 911 and name HB3 )) (( segid " " and resid 911 and name HG3 )) ASSI { 3415} (( segid " " and resid 911 and name HB2 )) (( segid " " and resid 911 and name HB3 )) 1.600 0.300 0.600 peak 3415 spectrum 1 weight 0.10000E+01 volume 0.24623E-01 ppm1 1.725 ppm2 1.611 CV 1 ASSI { 3421} (( segid " " and resid 911 and name HB3 )) (( segid " " and resid 911 and name H )) 3.200 1.200 1.200 peak 3421 spectrum 1 weight 0.10000E+01 volume 0.19982E-02 ppm1 1.610 ppm2 7.974 CV 1 ASSI { 3422} (( segid " " and resid 911 and name HG3 )) (( segid " " and resid 911 and name H )) 3.100 1.200 1.200 peak 3422 spectrum 1 weight 0.10000E+01 volume 0.17013E-02 ppm1 1.302 ppm2 7.974 CV 1 OR { 3422} (( segid " " and resid 911 and name HG2 )) (( segid " " and resid 911 and name H )) ASSI { 3423} (( segid " " and resid 892 and name HG2 )) (( segid " " and resid 888 and name HE21)) 3.200 1.300 1.300 peak 3423 spectrum 1 weight 0.10000E+01 volume 0.10208E-02 ppm1 2.438 ppm2 7.729 CV 1 ASSI { 3424} (( segid " " and resid 892 and name HG3 )) (( segid " " and resid 892 and name H )) 3.000 1.100 1.100 peak 3424 spectrum 1 weight 0.10000E+01 volume 0.19178E-02 ppm1 2.193 ppm2 8.440 CV 1 ASSI { 3429} (( segid " " and resid 885 and name HG3 )) (( segid " " and resid 885 and name HB3 )) 2.700 0.900 0.900 peak 3429 spectrum 1 weight 0.10000E+01 volume 0.52957E-02 ppm1 2.200 ppm2 1.966 CV 1 ASSI { 3430} (( segid " " and resid 892 and name HA )) (( segid " " and resid 892 and name HG2 )) 2.900 1.100 1.100 peak 3430 spectrum 1 weight 0.10000E+01 volume 0.18498E-02 ppm1 4.019 ppm2 2.436 CV 1 ASSI { 3431} (( segid " " and resid 892 and name HA )) (( segid " " and resid 895 and name HG2 )) 3.300 1.400 1.400 peak 3431 spectrum 1 weight 0.10000E+01 volume 0.14384E-02 ppm1 4.020 ppm2 2.275 CV 1 OR { 3431} (( segid " " and resid 892 and name HA )) (( segid " " and resid 895 and name HG3 )) ASSI { 3433} (( segid " " and resid 885 and name HB3 )) (( segid " " and resid 885 and name HG2 )) 2.400 0.700 0.700 peak 3433 spectrum 1 weight 0.10000E+01 volume 0.53792E-02 ppm1 1.959 ppm2 2.100 CV 1 ASSI { 3434} (( segid " " and resid 855 and name HG2 )) (( segid " " and resid 855 and name H )) 3.500 1.500 1.500 peak 3434 spectrum 1 weight 0.10000E+01 volume 0.15899E-02 ppm1 1.634 ppm2 7.898 CV 1 ASSI { 3435} (( segid " " and resid 855 and name HG3 )) (( segid " " and resid 855 and name H )) 3.400 1.400 1.400 peak 3435 spectrum 1 weight 0.10000E+01 volume 0.88467E-03 ppm1 1.411 ppm2 7.896 CV 1 ASSI { 3436} (( segid " " and resid 855 and name HE2 )) (( segid " " and resid 852 and name HA )) 3.200 1.300 1.300 peak 3436 spectrum 1 weight 0.10000E+01 volume 0.13517E-02 ppm1 2.939 ppm2 4.502 CV 1 OR { 3436} (( segid " " and resid 855 and name HE3 )) (( segid " " and resid 852 and name HA )) ASSI { 3437} (( segid " " and resid 855 and name HG2 )) (( segid " " and resid 852 and name HA )) 4.300 2.300 1.700 peak 3437 spectrum 1 weight 0.10000E+01 volume 0.50111E-03 ppm1 1.633 ppm2 4.501 CV 1 ASSI { 3439} (( segid " " and resid 855 and name HE3 )) (( segid " " and resid 855 and name HA )) 3.600 1.600 1.600 peak 3439 spectrum 1 weight 0.10000E+01 volume 0.94655E-03 ppm1 2.938 ppm2 3.980 CV 1 ASSI { 3442} (( segid " " and resid 855 and name HG2 )) (( segid " " and resid 855 and name HE2 )) 3.300 1.300 1.300 peak 3442 spectrum 1 weight 0.10000E+01 volume 0.12961E-02 ppm1 1.635 ppm2 2.939 CV 1 OR { 3442} (( segid " " and resid 855 and name HG2 )) (( segid " " and resid 855 and name HE3 )) ASSI { 3444} (( segid " " and resid 855 and name HE3 )) (( segid " " and resid 855 and name HB2 )) 3.100 1.200 1.200 peak 3444 spectrum 1 weight 0.10000E+01 volume 0.14941E-02 ppm1 2.939 ppm2 1.974 CV 1 OR { 3444} (( segid " " and resid 855 and name HE2 )) (( segid " " and resid 855 and name HB2 )) ASSI { 3445} (( segid " " and resid 855 and name HE3 )) (( segid " " and resid 855 and name HB3 )) 3.100 1.200 1.200 peak 3445 spectrum 1 weight 0.10000E+01 volume 0.13734E-02 ppm1 2.939 ppm2 1.929 CV 1 OR { 3445} (( segid " " and resid 855 and name HE2 )) (( segid " " and resid 855 and name HB3 )) ASSI { 3446} (( segid " " and resid 855 and name HG2 )) (( segid " " and resid 855 and name HB3 )) 2.800 1.000 1.000 peak 3446 spectrum 1 weight 0.10000E+01 volume 0.14817E-02 ppm1 1.636 ppm2 1.924 CV 1 ASSI { 3447} (( segid " " and resid 855 and name HG2 )) (( segid " " and resid 855 and name HG3 )) 2.000 0.500 0.500 peak 3447 spectrum 1 weight 0.10000E+01 volume 0.68580E-02 ppm1 1.636 ppm2 1.413 CV 1 ASSI { 3449} (( segid " " and resid 855 and name HG3 )) (( segid " " and resid 855 and name HB3 )) 3.200 1.300 1.300 peak 3449 spectrum 1 weight 0.10000E+01 volume 0.19982E-02 ppm1 1.414 ppm2 1.927 CV 1 ASSI { 3450} (( segid " " and resid 855 and name HE3 )) (( segid " " and resid 855 and name HG3 )) 2.800 1.000 1.000 peak 3450 spectrum 1 weight 0.10000E+01 volume 0.44203E-02 ppm1 2.939 ppm2 1.419 CV 1 OR { 3450} (( segid " " and resid 855 and name HE2 )) (( segid " " and resid 855 and name HG3 )) ASSI { 3451} (( segid " " and resid 910 and name HE2 )) (( segid " " and resid 910 and name HD2 )) 2.700 0.900 0.900 peak 3451 spectrum 1 weight 0.10000E+01 volume 0.31613E-02 ppm1 2.936 ppm2 1.570 CV 1 OR { 3451} (( segid " " and resid 910 and name HE3 )) (( segid " " and resid 910 and name HD2 )) OR { 3451} (( segid " " and resid 910 and name HE2 )) (( segid " " and resid 910 and name HD3 )) OR { 3451} (( segid " " and resid 910 and name HE3 )) (( segid " " and resid 910 and name HD3 )) ASSI { 3452} (( segid " " and resid 855 and name HD2 )) (( segid " " and resid 855 and name H )) 3.900 1.900 1.900 peak 3452 spectrum 1 weight 0.10000E+01 volume 0.93110E-03 ppm1 1.685 ppm2 7.898 CV 1 OR { 3452} (( segid " " and resid 855 and name HD3 )) (( segid " " and resid 855 and name H )) ASSI { 3454} (( segid " " and resid 855 and name HD2 )) (( segid " " and resid 855 and name HA )) 4.100 2.100 1.900 peak 3454 spectrum 1 weight 0.10000E+01 volume 0.97746E-03 ppm1 1.683 ppm2 3.982 CV 1 OR { 3454} (( segid " " and resid 855 and name HD3 )) (( segid " " and resid 855 and name HA )) ASSI { 3455} (( segid " " and resid 855 and name HD2 )) (( segid " " and resid 855 and name HE2 )) 2.600 0.800 0.800 peak 3455 spectrum 1 weight 0.10000E+01 volume 0.40739E-02 ppm1 1.685 ppm2 2.939 CV 1 OR { 3455} (( segid " " and resid 855 and name HD3 )) (( segid " " and resid 855 and name HE3 )) OR { 3455} (( segid " " and resid 855 and name HD3 )) (( segid " " and resid 855 and name HE2 )) OR { 3455} (( segid " " and resid 855 and name HD2 )) (( segid " " and resid 855 and name HE3 )) ASSI { 3456} (( segid " " and resid 855 and name HD3 )) (( segid " " and resid 855 and name HB3 )) 2.900 1.100 1.100 peak 3456 spectrum 1 weight 0.10000E+01 volume 0.26757E-02 ppm1 1.684 ppm2 1.941 CV 1 OR { 3456} (( segid " " and resid 855 and name HD2 )) (( segid " " and resid 855 and name HB3 )) ASSI { 3457} (( segid " " and resid 855 and name HD3 )) (( segid " " and resid 855 and name HG3 )) 2.500 0.800 0.800 peak 3457 spectrum 1 weight 0.10000E+01 volume 0.47637E-02 ppm1 1.685 ppm2 1.415 CV 1 OR { 3457} (( segid " " and resid 855 and name HD2 )) (( segid " " and resid 855 and name HG3 )) ASSI { 3458} (( segid " " and resid 861 and name HB3 )) (( segid " " and resid 861 and name HG3 )) 3.200 1.300 1.300 peak 3458 spectrum 1 weight 0.10000E+01 volume 0.14786E-02 ppm1 1.991 ppm2 1.343 CV 1 ASSI { 3459} (( segid " " and resid 841 and name HG2 )) (( segid " " and resid 841 and name HB3 )) 2.500 0.800 0.800 peak 3459 spectrum 1 weight 0.10000E+01 volume 0.39532E-02 ppm1 1.595 ppm2 1.799 CV 1 OR { 3459} (( segid " " and resid 841 and name HG2 )) (( segid " " and resid 841 and name HB2 )) ASSI { 3462} (( segid " " and resid 841 and name HG2 )) (( segid " " and resid 841 and name H )) 3.600 1.600 1.600 peak 3462 spectrum 1 weight 0.10000E+01 volume 0.15436E-02 ppm1 1.605 ppm2 8.501 CV 1 ASSI { 3463} (( segid " " and resid 829 and name HA )) (( segid " " and resid 829 and name H )) 2.700 0.900 0.900 peak 3463 spectrum 1 weight 0.10000E+01 volume 0.23942E-02 ppm1 3.818 ppm2 8.602 CV 1 ASSI { 3464} (( segid " " and resid 829 and name HA )) (( segid " " and resid 832 and name H )) 3.300 1.400 1.400 peak 3464 spectrum 1 weight 0.10000E+01 volume 0.89707E-03 ppm1 3.817 ppm2 8.366 CV 1 ASSI { 3465} (( segid " " and resid 829 and name HA )) (( segid " " and resid 830 and name H )) 3.300 1.400 1.400 peak 3465 spectrum 1 weight 0.10000E+01 volume 0.98675E-03 ppm1 3.821 ppm2 8.179 CV 1 ASSI { 3469} ( segid " " and resid 829 and name HD1%) (( segid " " and resid 830 and name H )) 4.100 2.100 1.900 peak 3469 spectrum 1 weight 0.10000E+01 volume 0.10084E-02 ppm1 0.759 ppm2 8.177 CV 1 ASSI { 3470} ( segid " " and resid 829 and name HD1%) (( segid " " and resid 829 and name H )) 3.800 1.800 1.800 peak 3470 spectrum 1 weight 0.10000E+01 volume 0.12899E-02 ppm1 0.759 ppm2 8.603 CV 1 ASSI { 3471} ( segid " " and resid 829 and name HD1%) (( segid " " and resid 871 and name H )) 3.900 1.900 1.900 peak 3471 spectrum 1 weight 0.10000E+01 volume 0.66506E-03 ppm1 0.759 ppm2 8.857 CV 1 ASSI { 3472} ( segid " " and resid 829 and name HD2%) (( segid " " and resid 830 and name H )) 4.100 2.100 1.900 peak 3472 spectrum 1 weight 0.10000E+01 volume 0.99292E-03 ppm1 0.891 ppm2 8.176 CV 1 ASSI { 3474} ( segid " " and resid 829 and name HD2%) (( segid " " and resid 809 and name H )) 2.900 1.100 1.100 peak 3474 spectrum 1 weight 0.10000E+01 volume 0.18405E-02 ppm1 0.891 ppm2 7.973 CV 1 ASSI { 3475} ( segid " " and resid 829 and name HD2%) (( segid " " and resid 805 and name H )) 4.200 2.200 1.800 peak 3475 spectrum 1 weight 0.10000E+01 volume 0.74857E-03 ppm1 0.891 ppm2 7.880 CV 1 ASSI { 3476} ( segid " " and resid 829 and name HD2%) (( segid " " and resid 808 and name H )) 3.900 1.900 1.900 peak 3476 spectrum 1 weight 0.10000E+01 volume 0.89396E-03 ppm1 0.891 ppm2 8.542 CV 1 ASSI { 3477} (( segid " " and resid 829 and name HB3 )) (( segid " " and resid 826 and name HA )) 4.200 2.200 1.800 peak 3477 spectrum 1 weight 0.10000E+01 volume 0.10672E-02 ppm1 1.557 ppm2 3.879 CV 1 ASSI { 3481} ( segid " " and resid 829 and name HD1%) (( segid " " and resid 826 and name HA )) 2.800 1.000 1.000 peak 3481 spectrum 1 weight 0.10000E+01 volume 0.19673E-02 ppm1 0.759 ppm2 3.874 CV 1 ASSI { 3482} ( segid " " and resid 829 and name HD1%) (( segid " " and resid 829 and name HA )) 4.000 2.000 2.000 peak 3482 spectrum 1 weight 0.10000E+01 volume 0.13332E-02 ppm1 0.758 ppm2 3.823 CV 1 ASSI { 3483} ( segid " " and resid 829 and name HD1%) (( segid " " and resid 809 and name HA )) 3.300 1.300 1.300 peak 3483 spectrum 1 weight 0.10000E+01 volume 0.75785E-03 ppm1 0.760 ppm2 3.568 CV 1 ASSI { 3484} ( segid " " and resid 829 and name HD2%) (( segid " " and resid 809 and name HA )) 3.200 1.300 1.300 peak 3484 spectrum 1 weight 0.10000E+01 volume 0.93727E-03 ppm1 0.891 ppm2 3.568 CV 1 ASSI { 3485} ( segid " " and resid 829 and name HD1%) (( segid " " and resid 870 and name HG2 )) 2.800 1.000 1.000 peak 3485 spectrum 1 weight 0.10000E+01 volume 0.20138E-02 ppm1 0.759 ppm2 2.590 CV 1 ASSI { 3486} ( segid " " and resid 829 and name HD1%) (( segid " " and resid 870 and name HB3 )) 3.600 1.600 1.600 peak 3486 spectrum 1 weight 0.10000E+01 volume 0.10393E-02 ppm1 0.759 ppm2 2.411 CV 1 ASSI { 3487} ( segid " " and resid 829 and name HD1%) (( segid " " and resid 870 and name HG3 )) 2.800 1.000 1.000 peak 3487 spectrum 1 weight 0.10000E+01 volume 0.22860E-02 ppm1 0.758 ppm2 2.116 CV 1 ASSI { 3488} ( segid " " and resid 829 and name HD1%) (( segid " " and resid 829 and name HB2 )) 2.600 0.800 0.800 peak 3488 spectrum 1 weight 0.10000E+01 volume 0.31119E-02 ppm1 0.758 ppm2 2.032 CV 1 ASSI { 3490} (( segid " " and resid 829 and name HB3 )) (( segid " " and resid 829 and name HB2 )) 2.300 0.700 0.700 peak 3490 spectrum 1 weight 0.10000E+01 volume 0.22767E-02 ppm1 1.555 ppm2 2.032 CV 1 ASSI { 3492} (( segid " " and resid 829 and name HA )) (( segid " " and resid 829 and name HB2 )) 3.200 1.300 1.300 peak 3492 spectrum 1 weight 0.10000E+01 volume 0.14538E-02 ppm1 3.818 ppm2 2.033 CV 1 ASSI { 3494} ( segid " " and resid 829 and name HD2%) (( segid " " and resid 829 and name HB2 )) 3.400 1.400 1.400 peak 3494 spectrum 1 weight 0.10000E+01 volume 0.25798E-02 ppm1 0.891 ppm2 2.032 CV 1 ASSI { 3495} ( segid " " and resid 829 and name HD2%) (( segid " " and resid 808 and name HB )) 2.300 0.700 0.700 peak 3495 spectrum 1 weight 0.10000E+01 volume 0.46987E-02 ppm1 0.891 ppm2 1.961 CV 1 ASSI { 3496} (( segid " " and resid 829 and name HA )) (( segid " " and resid 829 and name HB3 )) 2.700 0.900 0.900 peak 3496 spectrum 1 weight 0.10000E+01 volume 0.20632E-02 ppm1 3.818 ppm2 1.557 CV 1 ASSI { 3500} ( segid " " and resid 829 and name HD1%) (( segid " " and resid 829 and name HB3 )) 2.600 0.900 0.900 peak 3500 spectrum 1 weight 0.10000E+01 volume 0.32974E-02 ppm1 0.758 ppm2 1.554 CV 1 ASSI { 3502} ( segid " " and resid 829 and name HD2%) ( segid " " and resid 832 and name HB% ) 2.500 0.800 0.800 peak 3502 spectrum 1 weight 0.10000E+01 volume 0.92022E-02 ppm1 0.891 ppm2 1.419 CV 1 ASSI { 3503} (( segid " " and resid 829 and name HB2 )) (( segid " " and resid 829 and name HG )) 2.900 1.000 1.000 peak 3503 spectrum 1 weight 0.10000E+01 volume 0.13147E-02 ppm1 2.035 ppm2 1.004 CV 1 ASSI { 3507} (( segid " " and resid 829 and name HB3 )) ( segid " " and resid 829 and name HD2%) 2.900 1.000 1.000 peak 3507 spectrum 1 weight 0.10000E+01 volume 0.14167E-02 ppm1 1.555 ppm2 0.889 CV 1 ASSI { 3509} (( segid " " and resid 829 and name HB3 )) ( segid " " and resid 812 and name HD1%) 4.900 2.900 1.100 peak 3509 spectrum 1 weight 0.10000E+01 volume 0.52276E-03 ppm1 1.560 ppm2 0.640 CV 1 ASSI { 3514} ( segid " " and resid 829 and name HD1%) ( segid " " and resid 809 and name HG2%) 3.400 1.400 1.400 peak 3514 spectrum 1 weight 0.10000E+01 volume 0.13425E-02 ppm1 0.758 ppm2 1.168 CV 1 ASSI { 3516} ( segid " " and resid 829 and name HD1%) (( segid " " and resid 829 and name HG )) 2.400 0.700 0.700 peak 3516 spectrum 1 weight 0.10000E+01 volume 0.42563E-02 ppm1 0.758 ppm2 1.000 CV 1 ASSI { 3517} ( segid " " and resid 829 and name HD1%) ( segid " " and resid 829 and name HD2%) 2.200 0.600 0.600 peak 3517 spectrum 1 weight 0.10000E+01 volume 0.94967E-02 ppm1 0.758 ppm2 0.887 CV 1 ASSI { 3520} ( segid " " and resid 829 and name HD2%) ( segid " " and resid 812 and name HD1%) 3.800 1.800 1.800 peak 3520 spectrum 1 weight 0.10000E+01 volume 0.77331E-03 ppm1 0.890 ppm2 0.637 CV 1 ASSI { 3521} ( segid " " and resid 829 and name HD2%) ( segid " " and resid 809 and name HG2%) 3.600 1.600 1.600 peak 3521 spectrum 1 weight 0.10000E+01 volume 0.13363E-02 ppm1 0.890 ppm2 1.169 CV 1 ASSI { 3522} ( segid " " and resid 829 and name HD2%) ( segid " " and resid 867 and name HG2%) 3.100 1.200 1.200 peak 3522 spectrum 1 weight 0.10000E+01 volume 0.42595E-02 ppm1 0.891 ppm2 1.105 CV 1 ASSI { 3523} (( segid " " and resid 810 and name HB2 )) (( segid " " and resid 811 and name H )) 3.000 1.200 1.200 peak 3523 spectrum 1 weight 0.10000E+01 volume 0.14662E-02 ppm1 2.118 ppm2 8.157 CV 1 ASSI { 3524} (( segid " " and resid 810 and name HB3 )) (( segid " " and resid 811 and name H )) 3.500 1.500 1.500 peak 3524 spectrum 1 weight 0.10000E+01 volume 0.13208E-02 ppm1 2.170 ppm2 8.155 CV 1 ASSI { 3525} (( segid " " and resid 810 and name HG2 )) (( segid " " and resid 811 and name H )) 3.800 1.800 1.800 peak 3525 spectrum 1 weight 0.10000E+01 volume 0.72694E-03 ppm1 2.362 ppm2 8.155 CV 1 ASSI { 3526} (( segid " " and resid 810 and name HG3 )) (( segid " " and resid 811 and name H )) 3.800 1.800 1.800 peak 3526 spectrum 1 weight 0.10000E+01 volume 0.64338E-03 ppm1 2.324 ppm2 8.156 CV 1 ASSI { 3527} (( segid " " and resid 810 and name HG2 )) (( segid " " and resid 810 and name HA )) 3.100 1.200 1.200 peak 3527 spectrum 1 weight 0.10000E+01 volume 0.21499E-02 ppm1 2.362 ppm2 4.141 CV 1 ASSI { 3530} (( segid " " and resid 810 and name HG2 )) (( segid " " and resid 810 and name HB3 )) 2.400 0.700 0.700 peak 3530 spectrum 1 weight 0.10000E+01 volume 0.55091E-02 ppm1 2.361 ppm2 2.169 CV 1 ASSI { 3531} (( segid " " and resid 810 and name HG2 )) (( segid " " and resid 810 and name HB2 )) 2.600 0.900 0.900 peak 3531 spectrum 1 weight 0.10000E+01 volume 0.54349E-02 ppm1 2.362 ppm2 2.121 CV 1 ASSI { 3534} (( segid " " and resid 881 and name HG2 )) (( segid " " and resid 881 and name HD2 )) 2.700 0.900 0.900 peak 3534 spectrum 1 weight 0.10000E+01 volume 0.15776E-02 ppm1 1.862 ppm2 3.536 CV 1 ASSI { 3536} (( segid " " and resid 806 and name HG )) ( segid " " and resid 802 and name HG2%) 4.400 2.400 1.600 peak 3536 spectrum 1 weight 0.10000E+01 volume 0.64649E-03 ppm1 1.859 ppm2 1.163 CV 1 ASSI { 3537} (( segid " " and resid 806 and name HG )) ( segid " " and resid 901 and name HG2%) 3.800 1.800 1.800 peak 3537 spectrum 1 weight 0.10000E+01 volume 0.12714E-02 ppm1 1.861 ppm2 1.084 CV 1 ASSI { 3540} (( segid " " and resid 806 and name HG )) ( segid " " and resid 805 and name HG2%) 4.500 2.500 1.500 peak 3540 spectrum 1 weight 0.10000E+01 volume 0.46090E-03 ppm1 1.860 ppm2 0.722 CV 1 OR { 3540} (( segid " " and resid 806 and name HG )) ( segid " " and resid 805 and name HD1%) ASSI { 3543} (( segid " " and resid 861 and name HG3 )) (( segid " " and resid 861 and name HD3 )) 2.400 0.700 0.700 peak 3543 spectrum 1 weight 0.10000E+01 volume 0.64091E-02 ppm1 1.316 ppm2 1.569 CV 1 ASSI { 3548} (( segid " " and resid 910 and name HB2 )) (( segid " " and resid 910 and name H )) 2.900 1.000 1.000 peak 3548 spectrum 1 weight 0.10000E+01 volume 0.21251E-02 ppm1 1.753 ppm2 8.376 CV 1 ASSI { 3549} (( segid " " and resid 910 and name HB3 )) (( segid " " and resid 910 and name H )) 2.900 1.000 1.000 peak 3549 spectrum 1 weight 0.10000E+01 volume 0.25891E-02 ppm1 1.664 ppm2 8.376 CV 1 ASSI { 3551} (( segid " " and resid 910 and name HG3 )) (( segid " " and resid 910 and name H )) 3.700 1.700 1.700 peak 3551 spectrum 1 weight 0.10000E+01 volume 0.79499E-03 ppm1 1.320 ppm2 8.376 CV 1 ASSI { 3552} (( segid " " and resid 910 and name HD3 )) (( segid " " and resid 910 and name H )) 3.900 1.900 1.900 peak 3552 spectrum 1 weight 0.10000E+01 volume 0.55370E-03 ppm1 1.588 ppm2 8.379 CV 1 OR { 3552} (( segid " " and resid 910 and name HD2 )) (( segid " " and resid 910 and name H )) ASSI { 3553} (( segid " " and resid 911 and name HD3 )) (( segid " " and resid 911 and name H )) 3.700 1.700 1.700 peak 3553 spectrum 1 weight 0.10000E+01 volume 0.86610E-03 ppm1 1.585 ppm2 7.974 CV 1 OR { 3553} (( segid " " and resid 911 and name HD2 )) (( segid " " and resid 911 and name H )) ASSI { 3554} (( segid " " and resid 910 and name HB2 )) (( segid " " and resid 911 and name H )) 4.100 2.100 1.900 peak 3554 spectrum 1 weight 0.10000E+01 volume 0.93110E-03 ppm1 1.753 ppm2 7.973 CV 1 ASSI { 3555} (( segid " " and resid 910 and name HB3 )) (( segid " " and resid 911 and name H )) 4.200 2.200 1.800 peak 3555 spectrum 1 weight 0.10000E+01 volume 0.68363E-03 ppm1 1.659 ppm2 7.973 CV 1 ASSI { 3556} (( segid " " and resid 840 and name HG12)) (( segid " " and resid 840 and name HA )) 3.300 1.400 1.400 peak 3556 spectrum 1 weight 0.10000E+01 volume 0.62486E-03 ppm1 0.366 ppm2 3.728 CV 1 ASSI { 3557} (( segid " " and resid 840 and name HG12)) (( segid " " and resid 840 and name H )) 4.400 2.400 1.600 peak 3557 spectrum 1 weight 0.10000E+01 volume 0.73311E-03 ppm1 0.361 ppm2 8.560 CV 1 ASSI { 3558} (( segid " " and resid 840 and name HG12)) (( segid " " and resid 840 and name HB )) 3.800 1.800 1.800 peak 3558 spectrum 1 weight 0.10000E+01 volume 0.53823E-03 ppm1 0.359 ppm2 1.600 CV 1 ASSI { 3559} (( segid " " and resid 840 and name HG12)) (( segid " " and resid 840 and name HG13)) 2.400 0.700 0.700 peak 3559 spectrum 1 weight 0.10000E+01 volume 0.17415E-02 ppm1 0.362 ppm2 1.378 CV 1 ASSI { 3560} (( segid " " and resid 840 and name HG12)) ( segid " " and resid 840 and name HG2%) 3.200 1.300 1.300 peak 3560 spectrum 1 weight 0.10000E+01 volume 0.80428E-03 ppm1 0.361 ppm2 0.779 CV 1 ASSI { 3561} (( segid " " and resid 840 and name HG12)) ( segid " " and resid 836 and name HD2%) 3.900 1.900 1.900 peak 3561 spectrum 1 weight 0.10000E+01 volume 0.55370E-03 ppm1 0.350 ppm2 0.689 CV 1 ASSI { 3562} (( segid " " and resid 805 and name HG13)) ( segid " " and resid 804 and name HG2%) 3.800 1.800 1.800 peak 3562 spectrum 1 weight 0.10000E+01 volume 0.68669E-03 ppm1 1.691 ppm2 1.095 CV 1 ASSI { 3563} (( segid " " and resid 805 and name HG13)) (( segid " " and resid 805 and name HG12)) 2.200 0.600 0.600 peak 3563 spectrum 1 weight 0.10000E+01 volume 0.26138E-02 ppm1 1.693 ppm2 0.857 CV 1 ASSI { 3564} (( segid " " and resid 805 and name HG13)) ( segid " " and resid 805 and name HD1%) 2.500 0.800 0.800 peak 3564 spectrum 1 weight 0.10000E+01 volume 0.36130E-02 ppm1 1.693 ppm2 0.717 CV 1 OR { 3564} (( segid " " and resid 805 and name HG13)) ( segid " " and resid 805 and name HG2%) ASSI { 3566} (( segid " " and resid 805 and name HG13)) (( segid " " and resid 805 and name HB )) 2.900 1.100 1.100 peak 3566 spectrum 1 weight 0.10000E+01 volume 0.90941E-03 ppm1 1.695 ppm2 1.849 CV 1 ASSI { 3569} (( segid " " and resid 812 and name HG13)) (( segid " " and resid 825 and name HB2 )) 2.900 1.000 1.000 peak 3569 spectrum 1 weight 0.10000E+01 volume 0.77025E-03 ppm1 1.842 ppm2 2.103 CV 1 ASSI { 3570} (( segid " " and resid 812 and name HG13)) ( segid " " and resid 808 and name HG2%) 4.400 2.400 1.600 peak 3570 spectrum 1 weight 0.10000E+01 volume 0.57844E-03 ppm1 1.845 ppm2 1.003 CV 1 ASSI { 3571} (( segid " " and resid 812 and name HG13)) ( segid " " and resid 812 and name HG2%) 3.400 1.400 1.400 peak 3571 spectrum 1 weight 0.10000E+01 volume 0.10795E-02 ppm1 1.845 ppm2 0.492 CV 1 ASSI { 3574} (( segid " " and resid 889 and name HB2 )) (( segid " " and resid 890 and name H )) 3.100 1.200 1.200 peak 3574 spectrum 1 weight 0.10000E+01 volume 0.95272E-03 ppm1 1.843 ppm2 7.836 CV 1 ASSI { 3575} (( segid " " and resid 812 and name HG13)) (( segid " " and resid 812 and name H )) 3.300 1.400 1.400 peak 3575 spectrum 1 weight 0.10000E+01 volume 0.13177E-02 ppm1 1.840 ppm2 8.063 CV 1 ASSI { 3576} (( segid " " and resid 889 and name HB2 )) (( segid " " and resid 889 and name H )) 2.800 1.000 1.000 peak 3576 spectrum 1 weight 0.10000E+01 volume 0.19086E-02 ppm1 1.847 ppm2 8.027 CV 1 ASSI { 3577} (( segid " " and resid 856 and name HG )) (( segid " " and resid 856 and name HB3 )) 3.400 1.400 1.400 peak 3577 spectrum 1 weight 0.10000E+01 volume 0.11229E-02 ppm1 1.788 ppm2 1.390 CV 1 ASSI { 3580} (( segid " " and resid 785 and name HB3 )) (( segid " " and resid 785 and name HA )) 2.800 1.000 1.000 peak 3580 spectrum 1 weight 0.10000E+01 volume 0.30005E-02 ppm1 3.000 ppm2 4.490 CV 1 ASSI { 3581} (( segid " " and resid 785 and name HA )) (( segid " " and resid 785 and name HB2 )) 2.700 0.900 0.900 peak 3581 spectrum 1 weight 0.10000E+01 volume 0.35202E-02 ppm1 4.489 ppm2 3.085 CV 1 ASSI { 3583} (( segid " " and resid 785 and name HB2 )) (( segid " " and resid 785 and name HB3 )) 1.400 0.300 0.800 peak 3583 spectrum 1 weight 0.10000E+01 volume 0.57343E-01 ppm1 3.083 ppm2 3.000 CV 1 ASSI { 3585} (( segid " " and resid 785 and name HA )) ( segid " " and resid 785 and name HD% ) 3.000 1.200 1.200 peak 3585 spectrum 1 weight 0.10000E+01 volume 0.21343E-02 ppm1 4.488 ppm2 7.196 CV 1 ASSI { 3586} (( segid " " and resid 785 and name HB2 )) ( segid " " and resid 785 and name HD% ) 2.900 1.100 1.100 peak 3586 spectrum 1 weight 0.10000E+01 volume 0.20663E-02 ppm1 3.080 ppm2 7.196 CV 1 ASSI { 3587} (( segid " " and resid 785 and name HB3 )) ( segid " " and resid 785 and name HD% ) 2.900 1.100 1.100 peak 3587 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 3.000 ppm2 7.196 CV 1 ASSI { 3588} (( segid " " and resid 785 and name HB2 )) (( segid " " and resid 786 and name H )) 3.900 1.900 1.900 peak 3588 spectrum 1 weight 0.10000E+01 volume 0.51039E-03 ppm1 3.076 ppm2 7.703 CV 1 ASSI { 3589} (( segid " " and resid 785 and name HB3 )) (( segid " " and resid 786 and name H )) 3.700 1.700 1.700 peak 3589 spectrum 1 weight 0.10000E+01 volume 0.55679E-03 ppm1 2.998 ppm2 7.703 CV 1 ASSI { 3590} (( segid " " and resid 785 and name HA )) (( segid " " and resid 786 and name H )) 2.700 0.900 0.900 peak 3590 spectrum 1 weight 0.10000E+01 volume 0.41759E-02 ppm1 4.489 ppm2 7.702 CV 1 ASSI { 3592} (( segid " " and resid 785 and name HB2 )) (( segid " " and resid 785 and name H )) 3.000 1.100 1.100 peak 3592 spectrum 1 weight 0.10000E+01 volume 0.20508E-02 ppm1 3.081 ppm2 8.207 CV 1 ASSI { 3594} (( segid " " and resid 800 and name HG2 )) (( segid " " and resid 800 and name HE21)) 3.400 1.400 1.400 peak 3594 spectrum 1 weight 0.10000E+01 volume 0.82590E-03 ppm1 2.368 ppm2 7.475 CV 1 ASSI { 3595} (( segid " " and resid 800 and name HG3 )) (( segid " " and resid 800 and name HE21)) 3.200 1.300 1.300 peak 3595 spectrum 1 weight 0.10000E+01 volume 0.83830E-03 ppm1 2.302 ppm2 7.475 CV 1 ASSI { 3596} (( segid " " and resid 800 and name HG2 )) (( segid " " and resid 800 and name HE22)) 4.600 2.600 1.400 peak 3596 spectrum 1 weight 0.10000E+01 volume 0.46709E-03 ppm1 2.366 ppm2 6.799 CV 1 ASSI { 3597} (( segid " " and resid 800 and name HG3 )) (( segid " " and resid 800 and name HE22)) 4.700 2.700 1.300 peak 3597 spectrum 1 weight 0.10000E+01 volume 0.39594E-03 ppm1 2.289 ppm2 6.799 CV 1 ASSI { 3598} (( segid " " and resid 889 and name HG2 )) (( segid " " and resid 889 and name HB3 )) 2.700 0.900 0.900 peak 3598 spectrum 1 weight 0.10000E+01 volume 0.19054E-02 ppm1 1.645 ppm2 1.953 CV 1 ASSI { 3599} ( segid " " and resid 870 and name HE% ) ( segid " " and resid 871 and name HG2%) 2.900 2.900 3.100 peak 3599 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 1.950 ppm2 0.998 CV 1 ASSI { 3600} ( segid " " and resid 897 and name HD1%) (( segid " " and resid 867 and name HA )) 3.700 1.700 1.700 peak 3600 spectrum 1 weight 0.10000E+01 volume 0.17786E-02 ppm1 0.861 ppm2 3.719 CV 1 ASSI { 3605} ( segid " " and resid 812 and name HG2%) ( segid " " and resid 894 and name HB% ) 3.100 1.200 1.200 peak 3605 spectrum 1 weight 0.10000E+01 volume 0.22457E-02 ppm1 0.493 ppm2 1.537 CV 1 ASSI { 3607} ( segid " " and resid 805 and name HG2%) (( segid " " and resid 902 and name HA )) 3.600 3.600 2.400 peak 3607 spectrum 1 weight 0.10000E+01 volume 0.25117E-02 ppm1 0.729 ppm2 4.449 CV 1 ASSI { 3610} (( segid " " and resid 806 and name HA )) (( segid " " and resid 902 and name HA )) 4.400 2.400 1.600 peak 3610 spectrum 1 weight 0.10000E+01 volume 0.18096E-02 ppm1 3.950 ppm2 4.450 CV 1 ASSI { 3611} ( segid " " and resid 806 and name HD1%) (( segid " " and resid 902 and name HA )) 3.000 1.100 1.100 peak 3611 spectrum 1 weight 0.10000E+01 volume 0.15404E-02 ppm1 0.804 ppm2 4.448 CV 1 ASSI { 3615} ( segid " " and resid 808 and name HG2%) (( segid " " and resid 811 and name HA )) 4.100 2.100 1.900 peak 3615 spectrum 1 weight 0.10000E+01 volume 0.86304E-03 ppm1 1.003 ppm2 4.453 CV 1 OR { 3615} ( segid " " and resid 808 and name HG1%) (( segid " " and resid 811 and name HA )) ASSI { 3625} (( segid " " and resid 851 and name HG3 )) (( segid " " and resid 849 and name HB3 )) 3.900 1.900 1.900 peak 3625 spectrum 1 weight 0.10000E+01 volume 0.62792E-03 ppm1 2.247 ppm2 2.939 CV 1 OR { 3625} (( segid " " and resid 851 and name HG2 )) (( segid " " and resid 849 and name HB3 )) ASSI { 3627} (( segid " " and resid 910 and name HE3 )) (( segid " " and resid 910 and name HA )) 3.700 1.700 1.700 peak 3627 spectrum 1 weight 0.10000E+01 volume 0.82590E-03 ppm1 2.898 ppm2 4.257 CV 1 OR { 3627} (( segid " " and resid 910 and name HE2 )) (( segid " " and resid 910 and name HA )) ASSI { 3628} (( segid " " and resid 833 and name HB )) (( segid " " and resid 832 and name HA )) 3.400 3.400 2.600 peak 3628 spectrum 1 weight 0.10000E+01 volume 0.26788E-02 ppm1 4.053 ppm2 4.209 CV 1 ASSI { 3634} ( segid " " and resid 828 and name HG2%) (( segid " " and resid 828 and name HG12)) 2.600 0.900 0.900 peak 3634 spectrum 1 weight 0.10000E+01 volume 0.33129E-02 ppm1 0.842 ppm2 0.938 CV 1 ASSI { 3635} ( segid " " and resid 822 and name HE% ) (( segid " " and resid 877 and name H )) 3.100 1.200 1.200 peak 3635 spectrum 1 weight 0.10000E+01 volume 0.24128E-02 ppm1 1.873 ppm2 8.222 CV 1 ASSI { 3638} ( segid " " and resid 806 and name HD2%) (( segid " " and resid 803 and name HA )) 2.700 0.900 0.900 peak 3638 spectrum 1 weight 0.10000E+01 volume 0.36006E-02 ppm1 0.815 ppm2 4.342 CV 1 ASSI { 3641} ( segid " " and resid 897 and name HD2%) (( segid " " and resid 829 and name HB3 )) 2.400 2.400 3.600 peak 3641 spectrum 1 weight 0.10000E+01 volume 0.51318E-02 ppm1 0.799 ppm2 1.538 CV 1 ASSI { 3643} ( segid " " and resid 897 and name HD2%) (( segid " " and resid 870 and name HB2 )) 2.700 2.700 3.300 peak 3643 spectrum 1 weight 0.10000E+01 volume 0.94285E-02 ppm1 0.798 ppm2 1.709 CV 1 ASSI { 3646} ( segid " " and resid 863 and name HD1%) ( segid " " and resid 840 and name HD1%) 3.400 1.400 1.400 peak 3646 spectrum 1 weight 0.10000E+01 volume 0.25984E-02 ppm1 0.698 ppm2 0.315 CV 1 ASSI { 3647} ( segid " " and resid 863 and name HD1%) (( segid " " and resid 865 and name HA )) 3.000 3.000 3.000 peak 3647 spectrum 1 weight 0.10000E+01 volume 0.23138E-02 ppm1 0.698 ppm2 4.341 CV 1 ASSI { 3651} (( segid " " and resid 867 and name HA )) (( segid " " and resid 865 and name HA )) 3.500 3.500 2.500 peak 3651 spectrum 1 weight 0.10000E+01 volume 0.14878E-02 ppm1 3.718 ppm2 4.340 CV 1 ASSI { 3652} (( segid " " and resid 867 and name HA )) (( segid " " and resid 867 and name HB )) 3.000 1.100 1.100 peak 3652 spectrum 1 weight 0.10000E+01 volume 0.14941E-02 ppm1 3.718 ppm2 4.280 CV 1 ASSI { 3653} (( segid " " and resid 867 and name HB )) (( segid " " and resid 865 and name HA )) 3.400 1.500 1.500 peak 3653 spectrum 1 weight 0.10000E+01 volume 0.14477E-02 ppm1 4.282 ppm2 4.342 CV 1 ASSI { 3656} (( segid " " and resid 867 and name HA )) ( segid " " and resid 897 and name HD2%) 3.200 1.300 1.300 peak 3656 spectrum 1 weight 0.10000E+01 volume 0.10455E-02 ppm1 3.718 ppm2 0.817 CV 1 ASSI { 3657} ( segid " " and resid 870 and name HE% ) ( segid " " and resid 867 and name HG2%) 3.200 3.200 2.800 peak 3657 spectrum 1 weight 0.10000E+01 volume 0.24004E-02 ppm1 1.949 ppm2 1.105 CV 1 ASSI { 3659} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 867 and name HA )) 3.700 1.700 1.700 peak 3659 spectrum 1 weight 0.10000E+01 volume 0.13487E-02 ppm1 1.949 ppm2 3.718 CV 1 ASSI { 3663} (( segid " " and resid 784 and name HA )) ( segid " " and resid 787 and name HB% ) 3.700 1.700 1.700 peak 3663 spectrum 1 weight 0.10000E+01 volume 0.69597E-03 ppm1 4.244 ppm2 1.228 CV 1 ASSI { 3665} (( segid " " and resid 872 and name HG3 )) (( segid " " and resid 871 and name H )) 4.000 2.000 2.000 peak 3665 spectrum 1 weight 0.10000E+01 volume 0.98058E-03 ppm1 2.263 ppm2 8.861 CV 1 OR { 3665} (( segid " " and resid 872 and name HG2 )) (( segid " " and resid 871 and name H )) ASSI { 3666} (( segid " " and resid 872 and name HG3 )) (( segid " " and resid 873 and name H )) 3.500 1.600 1.600 peak 3666 spectrum 1 weight 0.10000E+01 volume 0.22364E-02 ppm1 2.264 ppm2 8.131 CV 1 OR { 3666} (( segid " " and resid 872 and name HG2 )) (( segid " " and resid 873 and name H )) ASSI { 3669} ( segid " " and resid 877 and name HB% ) ( segid " " and resid 823 and name HG2%) 3.700 1.700 1.700 peak 3669 spectrum 1 weight 0.10000E+01 volume 0.14693E-02 ppm1 1.243 ppm2 0.944 CV 1 ASSI { 3670} ( segid " " and resid 879 and name HB% ) (( segid " " and resid 820 and name H )) 3.100 3.100 2.900 peak 3670 spectrum 1 weight 0.10000E+01 volume 0.68363E-03 ppm1 1.164 ppm2 8.386 CV 1 ASSI { 3671} (( segid " " and resid 881 and name HA )) ( segid " " and resid 819 and name HB% ) 3.200 1.300 1.300 peak 3671 spectrum 1 weight 0.10000E+01 volume 0.13796E-02 ppm1 4.455 ppm2 1.392 CV 1 ASSI { 3672} (( segid " " and resid 882 and name HA )) (( segid " " and resid 887 and name HE21)) 3.400 3.400 2.600 peak 3672 spectrum 1 weight 0.10000E+01 volume 0.87850E-03 ppm1 4.521 ppm2 7.338 CV 1 ASSI { 3673} (( segid " " and resid 882 and name HA )) (( segid " " and resid 887 and name HE22)) 3.800 3.800 2.200 peak 3673 spectrum 1 weight 0.10000E+01 volume 0.81662E-03 ppm1 4.522 ppm2 6.739 CV 1 ASSI { 3674} (( segid " " and resid 888 and name HG3 )) (( segid " " and resid 888 and name H )) 3.300 1.400 1.400 peak 3674 spectrum 1 weight 0.10000E+01 volume 0.45224E-02 ppm1 2.368 ppm2 8.302 CV 1 OR { 3674} (( segid " " and resid 888 and name HG2 )) (( segid " " and resid 888 and name H )) ASSI { 3677} (( segid " " and resid 895 and name HA )) (( segid " " and resid 898 and name HB3 )) 2.900 1.100 1.100 peak 3677 spectrum 1 weight 0.10000E+01 volume 0.17415E-02 ppm1 4.136 ppm2 1.898 CV 1 OR { 3677} (( segid " " and resid 895 and name HA )) (( segid " " and resid 898 and name HB2 )) ASSI { 3679} (( segid " " and resid 910 and name HB3 )) (( segid " " and resid 910 and name HG2 )) 3.200 1.300 1.300 peak 3679 spectrum 1 weight 0.10000E+01 volume 0.11136E-02 ppm1 1.662 ppm2 1.338 CV 1 OR { 3679} (( segid " " and resid 910 and name HB3 )) (( segid " " and resid 910 and name HG3 )) ASSI { 3680} (( segid " " and resid 849 and name HB3 )) (( segid " " and resid 847 and name HG3 )) 4.100 2.100 1.900 peak 3680 spectrum 1 weight 0.10000E+01 volume 0.81350E-03 ppm1 2.939 ppm2 2.238 CV 1 OR { 3680} (( segid " " and resid 849 and name HB3 )) (( segid " " and resid 847 and name HG2 )) ASSI { 2} (( segid " " and resid 785 and name H )) (( segid " " and resid 784 and name HG3 )) 3.300 3.300 2.700 peak 2 spectrum 1 weight 0.10000E+01 volume 0.46894E-03 ppm1 8.205 ppm2 1.655 CV 1 ASSI { 6} (( segid " " and resid 785 and name H )) (( segid " " and resid 785 and name HB3 )) 2.900 1.000 1.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.24717E-02 ppm1 8.205 ppm2 3.003 CV 1 ASSI { 7} (( segid " " and resid 785 and name H )) (( segid " " and resid 785 and name HA )) 2.800 1.000 1.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.25716E-02 ppm1 8.205 ppm2 4.495 CV 1 ASSI { 9} (( segid " " and resid 785 and name H )) (( segid " " and resid 786 and name H )) 3.300 1.300 1.300 peak 9 spectrum 1 weight 0.10000E+01 volume 0.11427E-02 ppm1 8.205 ppm2 7.704 CV 1 ASSI { 10} (( segid " " and resid 785 and name H )) ( segid " " and resid 785 and name HD% ) 3.900 1.900 1.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.56883E-03 ppm1 8.205 ppm2 7.199 CV 1 ASSI { 12} (( segid " " and resid 786 and name H )) (( segid " " and resid 787 and name H )) 3.700 1.700 1.700 peak 12 spectrum 1 weight 0.10000E+01 volume 0.62469E-03 ppm1 7.703 ppm2 8.051 CV 1 ASSI { 13} (( segid " " and resid 786 and name H )) ( segid " " and resid 785 and name HD% ) 4.600 2.700 1.400 peak 13 spectrum 1 weight 0.10000E+01 volume 0.17945E-03 ppm1 7.704 ppm2 7.199 CV 1 ASSI { 25} (( segid " " and resid 789 and name H )) (( segid " " and resid 788 and name HA )) 3.800 1.800 1.800 peak 25 spectrum 1 weight 0.10000E+01 volume 0.43678E-03 ppm1 8.222 ppm2 4.525 CV 1 ASSI { 29} (( segid " " and resid 790 and name H )) ( segid " " and resid 789 and name HB% ) 4.100 2.100 1.900 peak 29 spectrum 1 weight 0.10000E+01 volume 0.41816E-03 ppm1 8.133 ppm2 1.293 CV 1 ASSI { 31} (( segid " " and resid 790 and name H )) (( segid " " and resid 789 and name HA )) 3.100 1.200 1.200 peak 31 spectrum 1 weight 0.10000E+01 volume 0.15930E-02 ppm1 8.133 ppm2 4.283 CV 1 ASSI { 36} (( segid " " and resid 792 and name H )) (( segid " " and resid 792 and name HA )) 3.200 1.300 1.300 peak 36 spectrum 1 weight 0.10000E+01 volume 0.12832E-02 ppm1 8.117 ppm2 4.295 CV 1 ASSI { 39} (( segid " " and resid 793 and name H )) (( segid " " and resid 792 and name HA )) 2.700 0.900 0.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.33114E-02 ppm1 8.150 ppm2 4.295 CV 1 ASSI { 41} (( segid " " and resid 793 and name H )) ( segid " " and resid 792 and name HB% ) 3.400 1.400 1.400 peak 41 spectrum 1 weight 0.10000E+01 volume 0.11224E-02 ppm1 8.151 ppm2 1.291 CV 1 ASSI { 48} (( segid " " and resid 796 and name H )) (( segid " " and resid 795 and name H )) 3.800 1.800 1.800 peak 48 spectrum 1 weight 0.10000E+01 volume 0.83631E-03 ppm1 8.445 ppm2 8.363 CV 1 ASSI { 49} (( segid " " and resid 796 and name H )) (( segid " " and resid 797 and name H )) 3.600 1.600 1.600 peak 49 spectrum 1 weight 0.10000E+01 volume 0.82443E-03 ppm1 8.445 ppm2 8.138 CV 1 ASSI { 54} (( segid " " and resid 796 and name H )) (( segid " " and resid 799 and name HB2 )) 4.100 2.100 1.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.34705E-03 ppm1 8.445 ppm2 2.646 CV 1 ASSI { 55} (( segid " " and resid 796 and name H )) (( segid " " and resid 799 and name HB3 )) 3.900 1.900 1.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.38260E-03 ppm1 8.445 ppm2 2.597 CV 1 ASSI { 56} (( segid " " and resid 796 and name H )) (( segid " " and resid 794 and name HB2 )) 4.000 2.000 2.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.14052E-03 ppm1 8.444 ppm2 1.856 CV 1 ASSI { 59} (( segid " " and resid 797 and name H )) ( segid " " and resid 908 and name HB% ) 3.800 1.800 1.800 peak 59 spectrum 1 weight 0.10000E+01 volume 0.58068E-03 ppm1 8.136 ppm2 1.283 CV 1 ASSI { 60} (( segid " " and resid 797 and name H )) (( segid " " and resid 797 and name HB3 )) 3.100 1.200 1.200 peak 60 spectrum 1 weight 0.10000E+01 volume 0.18758E-02 ppm1 8.136 ppm2 1.139 CV 1 ASSI { 61} (( segid " " and resid 797 and name H )) (( segid " " and resid 797 and name HG3 )) 3.500 1.500 1.500 peak 61 spectrum 1 weight 0.10000E+01 volume 0.16100E-02 ppm1 8.136 ppm2 1.055 CV 1 OR { 61} (( segid " " and resid 797 and name H )) (( segid " " and resid 797 and name HG2 )) ASSI { 62} (( segid " " and resid 797 and name H )) (( segid " " and resid 797 and name HD2 )) 5.200 3.300 0.800 peak 62 spectrum 1 weight 0.10000E+01 volume 0.19469E-03 ppm1 8.136 ppm2 2.939 CV 1 ASSI { 63} (( segid " " and resid 797 and name H )) (( segid " " and resid 797 and name HD3 )) 5.000 3.200 1.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.20823E-03 ppm1 8.135 ppm2 2.858 CV 1 ASSI { 64} (( segid " " and resid 797 and name H )) (( segid " " and resid 795 and name HA )) 4.700 2.800 1.300 peak 64 spectrum 1 weight 0.10000E+01 volume 0.28780E-03 ppm1 8.135 ppm2 4.244 CV 1 ASSI { 68} (( segid " " and resid 797 and name H )) (( segid " " and resid 799 and name H )) 4.000 2.000 2.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.31997E-03 ppm1 8.136 ppm2 7.567 CV 1 ASSI { 69} (( segid " " and resid 797 and name H )) ( segid " " and resid 798 and name HD% ) 5.000 3.100 1.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.22008E-03 ppm1 8.136 ppm2 6.926 CV 1 ASSI { 71} (( segid " " and resid 797 and name H )) (( segid " " and resid 798 and name H )) 3.000 1.200 1.200 peak 71 spectrum 1 weight 0.10000E+01 volume 0.15711E-02 ppm1 8.136 ppm2 8.369 CV 1 ASSI { 75} (( segid " " and resid 798 and name H )) ( segid " " and resid 905 and name HB% ) 4.900 2.900 1.100 peak 75 spectrum 1 weight 0.10000E+01 volume 0.22177E-03 ppm1 8.367 ppm2 1.522 CV 1 ASSI { 80} (( segid " " and resid 798 and name H )) (( segid " " and resid 798 and name HB3 )) 3.600 1.600 1.600 peak 80 spectrum 1 weight 0.10000E+01 volume 0.17471E-02 ppm1 8.367 ppm2 2.739 CV 1 ASSI { 81} (( segid " " and resid 798 and name H )) (( segid " " and resid 799 and name HB3 )) 5.000 3.100 1.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.24378E-03 ppm1 8.367 ppm2 2.597 CV 1 ASSI { 82} (( segid " " and resid 798 and name H )) (( segid " " and resid 905 and name HA )) 4.700 2.800 1.300 peak 82 spectrum 1 weight 0.10000E+01 volume 0.24209E-03 ppm1 8.365 ppm2 4.169 CV 1 ASSI { 83} (( segid " " and resid 798 and name H )) (( segid " " and resid 796 and name HA3 )) 4.300 2.300 1.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.34197E-03 ppm1 8.366 ppm2 4.065 CV 1 ASSI { 86} (( segid " " and resid 798 and name H )) (( segid " " and resid 798 and name HB2 )) 3.000 1.100 1.100 peak 86 spectrum 1 weight 0.10000E+01 volume 0.11952E-02 ppm1 8.367 ppm2 3.343 CV 1 ASSI { 87} (( segid " " and resid 798 and name H )) (( segid " " and resid 799 and name HA )) 4.300 2.300 1.700 peak 87 spectrum 1 weight 0.10000E+01 volume 0.44355E-03 ppm1 8.366 ppm2 4.236 CV 1 ASSI { 89} (( segid " " and resid 798 and name H )) ( segid " " and resid 798 and name HD% ) 3.200 1.300 1.300 peak 89 spectrum 1 weight 0.10000E+01 volume 0.14695E-02 ppm1 8.367 ppm2 6.927 CV 1 ASSI { 90} (( segid " " and resid 798 and name H )) ( segid " " and resid 798 and name HE% ) 4.600 2.700 1.400 peak 90 spectrum 1 weight 0.10000E+01 volume 0.28272E-03 ppm1 8.368 ppm2 6.537 CV 1 ASSI { 93} (( segid " " and resid 799 and name H )) (( segid " " and resid 800 and name H )) 2.800 1.000 1.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.18199E-02 ppm1 7.565 ppm2 8.449 CV 1 ASSI { 94} (( segid " " and resid 799 and name H )) (( segid " " and resid 798 and name H )) 2.600 0.800 0.800 peak 94 spectrum 1 weight 0.10000E+01 volume 0.35484E-02 ppm1 7.565 ppm2 8.368 CV 1 ASSI { 95} (( segid " " and resid 799 and name H )) (( segid " " and resid 801 and name H )) 4.400 2.400 1.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.34197E-03 ppm1 7.565 ppm2 8.235 CV 1 ASSI { 97} (( segid " " and resid 799 and name H )) ( segid " " and resid 798 and name HD% ) 4.400 2.400 1.600 peak 97 spectrum 1 weight 0.10000E+01 volume 0.47741E-03 ppm1 7.566 ppm2 6.926 CV 1 ASSI { 100} (( segid " " and resid 799 and name H )) (( segid " " and resid 796 and name HA3 )) 3.800 1.900 1.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.41985E-03 ppm1 7.565 ppm2 4.069 CV 1 ASSI { 101} (( segid " " and resid 799 and name H )) (( segid " " and resid 797 and name HA )) 3.800 1.800 1.800 peak 101 spectrum 1 weight 0.10000E+01 volume 0.48588E-03 ppm1 7.565 ppm2 3.862 CV 1 ASSI { 102} (( segid " " and resid 799 and name H )) (( segid " " and resid 796 and name HA2 )) 4.600 2.700 1.400 peak 102 spectrum 1 weight 0.10000E+01 volume 0.29457E-03 ppm1 7.565 ppm2 3.773 CV 1 ASSI { 103} (( segid " " and resid 799 and name H )) (( segid " " and resid 798 and name HB2 )) 3.900 1.900 1.900 peak 103 spectrum 1 weight 0.10000E+01 volume 0.47571E-03 ppm1 7.565 ppm2 3.342 CV 1 ASSI { 104} (( segid " " and resid 799 and name H )) (( segid " " and resid 798 and name HB3 )) 4.100 2.100 1.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.58575E-03 ppm1 7.565 ppm2 2.739 CV 1 ASSI { 107} (( segid " " and resid 799 and name H )) (( segid " " and resid 800 and name HB2 )) 5.200 3.400 0.800 peak 107 spectrum 1 weight 0.10000E+01 volume 0.29288E-03 ppm1 7.565 ppm2 2.032 CV 1 OR { 107} (( segid " " and resid 799 and name H )) (( segid " " and resid 800 and name HB3 )) ASSI { 108} (( segid " " and resid 799 and name H )) ( segid " " and resid 801 and name HB% ) 4.800 2.900 1.200 peak 108 spectrum 1 weight 0.10000E+01 volume 0.24547E-03 ppm1 7.565 ppm2 1.528 CV 1 ASSI { 109} (( segid " " and resid 799 and name H )) ( segid " " and resid 795 and name HB% ) 3.700 1.700 1.700 peak 109 spectrum 1 weight 0.10000E+01 volume 0.21839E-03 ppm1 7.566 ppm2 1.310 CV 1 ASSI { 112} (( segid " " and resid 800 and name H )) ( segid " " and resid 801 and name HB% ) 4.100 2.100 1.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.92263E-03 ppm1 8.446 ppm2 1.536 CV 1 ASSI { 113} (( segid " " and resid 800 and name H )) (( segid " " and resid 799 and name HB2 )) 3.800 1.800 1.800 peak 113 spectrum 1 weight 0.10000E+01 volume 0.11055E-02 ppm1 8.449 ppm2 2.644 CV 1 ASSI { 114} (( segid " " and resid 800 and name H )) (( segid " " and resid 799 and name HB3 )) 3.100 1.200 1.200 peak 114 spectrum 1 weight 0.10000E+01 volume 0.12206E-02 ppm1 8.449 ppm2 2.599 CV 1 ASSI { 119} (( segid " " and resid 800 and name H )) (( segid " " and resid 798 and name HA )) 4.300 2.300 1.700 peak 119 spectrum 1 weight 0.10000E+01 volume 0.30304E-03 ppm1 8.448 ppm2 5.009 CV 1 ASSI { 124} (( segid " " and resid 800 and name HE21)) (( segid " " and resid 800 and name HB3 )) 4.600 2.700 1.400 peak 124 spectrum 1 weight 0.10000E+01 volume 0.19469E-03 ppm1 7.473 ppm2 2.034 CV 1 OR { 124} (( segid " " and resid 800 and name HE21)) (( segid " " and resid 800 and name HB2 )) ASSI { 125} (( segid " " and resid 800 and name HE21)) (( segid " " and resid 800 and name HE22)) 1.500 0.300 0.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.53874E-01 ppm1 7.474 ppm2 6.799 CV 1 ASSI { 131} (( segid " " and resid 803 and name H )) ( segid " " and resid 901 and name HG2%) 5.000 3.100 1.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.23363E-03 ppm1 8.237 ppm2 1.087 CV 1 ASSI { 133} (( segid " " and resid 801 and name H )) (( segid " " and resid 800 and name HB3 )) 2.700 0.900 0.900 peak 133 spectrum 1 weight 0.10000E+01 volume 0.33165E-02 ppm1 8.238 ppm2 2.034 CV 1 OR { 133} (( segid " " and resid 801 and name H )) (( segid " " and resid 800 and name HB2 )) ASSI { 138} (( segid " " and resid 803 and name H )) (( segid " " and resid 804 and name HB )) 4.900 3.000 1.100 peak 138 spectrum 1 weight 0.10000E+01 volume 0.28103E-03 ppm1 8.238 ppm2 4.331 CV 1 ASSI { 141} (( segid " " and resid 801 and name H )) (( segid " " and resid 800 and name HA )) 3.200 1.300 1.300 peak 141 spectrum 1 weight 0.10000E+01 volume 0.14035E-02 ppm1 8.238 ppm2 4.072 CV 1 ASSI { 145} (( segid " " and resid 801 and name H )) (( segid " " and resid 800 and name H )) 2.500 0.800 0.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.37380E-02 ppm1 8.238 ppm2 8.435 CV 1 ASSI { 147} (( segid " " and resid 802 and name H )) (( segid " " and resid 804 and name H )) 4.300 2.300 1.700 peak 147 spectrum 1 weight 0.10000E+01 volume 0.32504E-03 ppm1 8.413 ppm2 7.945 CV 1 ASSI { 148} (( segid " " and resid 802 and name H )) (( segid " " and resid 803 and name HA )) 5.100 3.200 0.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.25056E-03 ppm1 8.414 ppm2 4.376 CV 1 ASSI { 149} (( segid " " and resid 802 and name H )) (( segid " " and resid 804 and name HB )) 5.000 3.200 1.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.13543E-03 ppm1 8.413 ppm2 4.331 CV 1 ASSI { 150} (( segid " " and resid 802 and name H )) (( segid " " and resid 799 and name HA )) 3.500 1.500 1.500 peak 150 spectrum 1 weight 0.10000E+01 volume 0.92775E-03 ppm1 8.413 ppm2 4.234 CV 1 ASSI { 151} (( segid " " and resid 802 and name H )) (( segid " " and resid 802 and name HB )) 3.300 1.400 1.400 peak 151 spectrum 1 weight 0.10000E+01 volume 0.16912E-02 ppm1 8.414 ppm2 4.137 CV 1 ASSI { 153} (( segid " " and resid 802 and name H )) (( segid " " and resid 803 and name HB3 )) 5.100 3.200 0.900 peak 153 spectrum 1 weight 0.10000E+01 volume 0.26410E-03 ppm1 8.414 ppm2 2.634 CV 1 ASSI { 154} (( segid " " and resid 802 and name H )) (( segid " " and resid 803 and name HB2 )) 5.000 3.100 1.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.31997E-03 ppm1 8.413 ppm2 2.804 CV 1 ASSI { 155} (( segid " " and resid 802 and name H )) (( segid " " and resid 800 and name HB3 )) 3.700 1.700 1.700 peak 155 spectrum 1 weight 0.10000E+01 volume 0.21839E-03 ppm1 8.413 ppm2 2.031 CV 1 ASSI { 156} (( segid " " and resid 802 and name H )) (( segid " " and resid 805 and name HB )) 5.200 3.300 0.800 peak 156 spectrum 1 weight 0.10000E+01 volume 0.21162E-03 ppm1 8.413 ppm2 1.851 CV 1 ASSI { 159} (( segid " " and resid 802 and name H )) ( segid " " and resid 901 and name HG2%) 4.900 3.100 1.100 peak 159 spectrum 1 weight 0.10000E+01 volume 0.37244E-03 ppm1 8.413 ppm2 1.084 CV 1 ASSI { 160} (( segid " " and resid 802 and name H )) ( segid " " and resid 805 and name HD1%) 4.300 2.300 1.700 peak 160 spectrum 1 weight 0.10000E+01 volume 0.53666E-03 ppm1 8.413 ppm2 0.706 CV 1 ASSI { 164} (( segid " " and resid 818 and name H )) (( segid " " and resid 821 and name HB2 )) 5.500 3.800 0.500 peak 164 spectrum 1 weight 0.10000E+01 volume 0.18284E-03 ppm1 8.216 ppm2 1.824 CV 1 ASSI { 165} (( segid " " and resid 818 and name H )) (( segid " " and resid 818 and name HB3 )) 3.400 1.400 1.400 peak 165 spectrum 1 weight 0.10000E+01 volume 0.20891E-02 ppm1 8.214 ppm2 2.301 CV 1 ASSI { 166} (( segid " " and resid 818 and name H )) (( segid " " and resid 818 and name HB2 )) 2.800 1.000 1.000 peak 166 spectrum 1 weight 0.10000E+01 volume 0.20789E-02 ppm1 8.214 ppm2 3.108 CV 1 ASSI { 167} (( segid " " and resid 818 and name H )) (( segid " " and resid 817 and name HA2 )) 3.500 1.500 1.500 peak 167 spectrum 1 weight 0.10000E+01 volume 0.16134E-02 ppm1 8.216 ppm2 4.226 CV 1 ASSI { 168} (( segid " " and resid 818 and name H )) (( segid " " and resid 815 and name HB2 )) 4.200 2.200 1.800 peak 168 spectrum 1 weight 0.10000E+01 volume 0.31997E-03 ppm1 8.213 ppm2 3.947 CV 1 ASSI { 169} (( segid " " and resid 818 and name H )) (( segid " " and resid 819 and name HA )) 4.100 2.100 1.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.34367E-03 ppm1 8.218 ppm2 3.862 CV 1 ASSI { 170} (( segid " " and resid 818 and name H )) (( segid " " and resid 815 and name HB3 )) 4.600 2.700 1.400 peak 170 spectrum 1 weight 0.10000E+01 volume 0.17268E-03 ppm1 8.214 ppm2 3.785 CV 1 ASSI { 175} (( segid " " and resid 818 and name H )) (( segid " " and resid 816 and name H )) 4.600 2.700 1.400 peak 175 spectrum 1 weight 0.10000E+01 volume 0.22855E-03 ppm1 8.214 ppm2 7.042 CV 1 ASSI { 176} (( segid " " and resid 818 and name H )) (( segid " " and resid 817 and name H )) 2.800 1.000 1.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.22042E-02 ppm1 8.214 ppm2 8.117 CV 1 ASSI { 177} (( segid " " and resid 818 and name H )) (( segid " " and resid 819 and name H )) 4.200 2.200 1.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.66870E-03 ppm1 8.215 ppm2 8.589 CV 1 ASSI { 178} (( segid " " and resid 818 and name H )) (( segid " " and resid 822 and name H )) 4.200 2.200 1.800 peak 178 spectrum 1 weight 0.10000E+01 volume 0.47402E-03 ppm1 8.218 ppm2 8.469 CV 1 ASSI { 179} (( segid " " and resid 804 and name H )) (( segid " " and resid 803 and name H )) 2.700 0.900 0.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.24751E-02 ppm1 7.944 ppm2 8.222 CV 1 ASSI { 180} (( segid " " and resid 804 and name H )) (( segid " " and resid 806 and name H )) 4.000 2.000 2.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.40631E-03 ppm1 7.944 ppm2 8.462 CV 1 ASSI { 182} (( segid " " and resid 804 and name H )) (( segid " " and resid 804 and name HB )) 2.500 0.800 0.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.43001E-02 ppm1 7.944 ppm2 4.329 CV 1 ASSI { 184} (( segid " " and resid 804 and name H )) (( segid " " and resid 800 and name HA )) 3.300 3.300 2.700 peak 184 spectrum 1 weight 0.10000E+01 volume 0.48588E-03 ppm1 7.943 ppm2 4.072 CV 1 ASSI { 186} (( segid " " and resid 804 and name H )) (( segid " " and resid 802 and name HA )) 3.900 1.900 1.900 peak 186 spectrum 1 weight 0.10000E+01 volume 0.34874E-03 ppm1 7.943 ppm2 3.728 CV 1 ASSI { 187} (( segid " " and resid 804 and name H )) (( segid " " and resid 805 and name HA )) 5.200 3.400 0.800 peak 187 spectrum 1 weight 0.10000E+01 volume 0.21670E-03 ppm1 7.944 ppm2 3.294 CV 1 ASSI { 190} (( segid " " and resid 804 and name H )) (( segid " " and resid 805 and name HB )) 4.500 2.600 1.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.36060E-03 ppm1 7.943 ppm2 1.852 CV 1 ASSI { 191} (( segid " " and resid 804 and name H )) (( segid " " and resid 805 and name HG13)) 4.900 3.000 1.100 peak 191 spectrum 1 weight 0.10000E+01 volume 0.27595E-03 ppm1 7.943 ppm2 1.695 CV 1 ASSI { 193} (( segid " " and resid 804 and name H )) ( segid " " and resid 832 and name HB% ) 5.300 3.500 0.700 peak 193 spectrum 1 weight 0.10000E+01 volume 0.19638E-03 ppm1 7.944 ppm2 1.428 CV 1 ASSI { 194} (( segid " " and resid 804 and name H )) ( segid " " and resid 802 and name HG2%) 4.900 3.000 1.100 peak 194 spectrum 1 weight 0.10000E+01 volume 0.26918E-03 ppm1 7.944 ppm2 1.168 CV 1 ASSI { 195} (( segid " " and resid 804 and name H )) ( segid " " and resid 804 and name HG2%) 3.800 1.800 1.800 peak 195 spectrum 1 weight 0.10000E+01 volume 0.16066E-02 ppm1 7.944 ppm2 1.091 CV 1 ASSI { 196} (( segid " " and resid 804 and name H )) ( segid " " and resid 806 and name HD2%) 4.600 2.600 1.400 peak 196 spectrum 1 weight 0.10000E+01 volume 0.26579E-03 ppm1 7.944 ppm2 0.859 CV 1 ASSI { 197} (( segid " " and resid 804 and name H )) ( segid " " and resid 805 and name HD1%) 4.700 2.800 1.300 peak 197 spectrum 1 weight 0.10000E+01 volume 0.34367E-03 ppm1 7.944 ppm2 0.721 CV 1 ASSI { 198} (( segid " " and resid 805 and name H )) (( segid " " and resid 805 and name HG12)) 3.800 1.800 1.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.13408E-02 ppm1 7.881 ppm2 0.858 CV 1 ASSI { 201} (( segid " " and resid 805 and name H )) ( segid " " and resid 801 and name HB% ) 4.700 2.700 1.300 peak 201 spectrum 1 weight 0.10000E+01 volume 0.19638E-03 ppm1 7.881 ppm2 1.536 CV 1 ASSI { 203} (( segid " " and resid 805 and name H )) ( segid " " and resid 802 and name HG2%) 5.100 3.200 0.900 peak 203 spectrum 1 weight 0.10000E+01 volume 0.26579E-03 ppm1 7.881 ppm2 1.164 CV 1 ASSI { 204} (( segid " " and resid 805 and name H )) ( segid " " and resid 808 and name HG1%) 5.200 3.400 0.800 peak 204 spectrum 1 weight 0.10000E+01 volume 0.19299E-03 ppm1 7.881 ppm2 1.004 CV 1 ASSI { 205} (( segid " " and resid 805 and name H )) (( segid " " and resid 805 and name HB )) 2.400 0.700 0.700 peak 205 spectrum 1 weight 0.10000E+01 volume 0.28458E-02 ppm1 7.881 ppm2 1.850 CV 1 ASSI { 206} (( segid " " and resid 805 and name H )) (( segid " " and resid 805 and name HG13)) 2.600 0.800 0.800 peak 206 spectrum 1 weight 0.10000E+01 volume 0.18419E-02 ppm1 7.881 ppm2 1.694 CV 1 ASSI { 212} (( segid " " and resid 805 and name H )) (( segid " " and resid 804 and name H )) 2.900 1.100 1.100 peak 212 spectrum 1 weight 0.10000E+01 volume 0.15711E-02 ppm1 7.880 ppm2 7.946 CV 1 ASSI { 214} (( segid " " and resid 805 and name H )) (( segid " " and resid 807 and name H )) 4.400 2.400 1.600 peak 214 spectrum 1 weight 0.10000E+01 volume 0.21670E-03 ppm1 7.881 ppm2 8.289 CV 1 ASSI { 215} (( segid " " and resid 805 and name H )) (( segid " " and resid 803 and name H )) 4.600 2.700 1.400 peak 215 spectrum 1 weight 0.10000E+01 volume 0.23870E-03 ppm1 7.880 ppm2 8.223 CV 1 ASSI { 216} (( segid " " and resid 806 and name H )) (( segid " " and resid 807 and name H )) 2.900 1.000 1.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.18623E-02 ppm1 8.463 ppm2 8.291 CV 1 ASSI { 218} (( segid " " and resid 806 and name H )) (( segid " " and resid 805 and name H )) 2.900 1.000 1.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.15473E-02 ppm1 8.462 ppm2 7.881 CV 1 ASSI { 220} (( segid " " and resid 806 and name H )) (( segid " " and resid 807 and name HB )) 4.800 2.800 1.200 peak 220 spectrum 1 weight 0.10000E+01 volume 0.32504E-03 ppm1 8.463 ppm2 4.310 CV 1 ASSI { 221} (( segid " " and resid 806 and name H )) (( segid " " and resid 809 and name HB )) 4.600 2.700 1.400 peak 221 spectrum 1 weight 0.10000E+01 volume 0.21839E-03 ppm1 8.462 ppm2 4.226 CV 1 ASSI { 222} (( segid " " and resid 806 and name H )) (( segid " " and resid 802 and name HB )) 4.300 2.300 1.700 peak 222 spectrum 1 weight 0.10000E+01 volume 0.24378E-03 ppm1 8.463 ppm2 4.132 CV 1 ASSI { 224} (( segid " " and resid 806 and name H )) (( segid " " and resid 804 and name HA )) 4.200 2.200 1.800 peak 224 spectrum 1 weight 0.10000E+01 volume 0.30642E-03 ppm1 8.463 ppm2 3.882 CV 1 ASSI { 225} (( segid " " and resid 806 and name H )) (( segid " " and resid 802 and name HA )) 3.700 1.700 1.700 peak 225 spectrum 1 weight 0.10000E+01 volume 0.55190E-03 ppm1 8.462 ppm2 3.729 CV 1 ASSI { 229} (( segid " " and resid 806 and name H )) ( segid " " and resid 805 and name HG2%) 3.300 1.400 1.400 peak 229 spectrum 1 weight 0.10000E+01 volume 0.14593E-02 ppm1 8.463 ppm2 0.726 CV 1 OR { 229} (( segid " " and resid 806 and name H )) ( segid " " and resid 805 and name HD1%) ASSI { 230} (( segid " " and resid 806 and name H )) (( segid " " and resid 806 and name HB2 )) 2.500 0.800 0.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.24040E-02 ppm1 8.463 ppm2 1.958 CV 1 ASSI { 232} (( segid " " and resid 806 and name H )) (( segid " " and resid 805 and name HG13)) 4.700 2.700 1.300 peak 232 spectrum 1 weight 0.10000E+01 volume 0.30642E-03 ppm1 8.463 ppm2 1.696 CV 1 ASSI { 233} (( segid " " and resid 806 and name H )) (( segid " " and resid 806 and name HB3 )) 3.900 1.900 1.900 peak 233 spectrum 1 weight 0.10000E+01 volume 0.16235E-02 ppm1 8.463 ppm2 1.482 CV 1 ASSI { 234} (( segid " " and resid 806 and name H )) ( segid " " and resid 901 and name HG2%) 3.900 1.900 1.900 peak 234 spectrum 1 weight 0.10000E+01 volume 0.82614E-03 ppm1 8.462 ppm2 1.087 CV 1 ASSI { 235} (( segid " " and resid 807 and name H )) (( segid " " and resid 806 and name HB3 )) 3.500 1.500 1.500 peak 235 spectrum 1 weight 0.10000E+01 volume 0.96665E-03 ppm1 8.290 ppm2 1.482 CV 1 ASSI { 237} (( segid " " and resid 807 and name H )) ( segid " " and resid 804 and name HG2%) 4.500 2.500 1.500 peak 237 spectrum 1 weight 0.10000E+01 volume 0.34705E-03 ppm1 8.290 ppm2 1.090 CV 1 ASSI { 239} (( segid " " and resid 807 and name H )) ( segid " " and resid 806 and name HD2%) 4.400 2.400 1.600 peak 239 spectrum 1 weight 0.10000E+01 volume 0.62134E-03 ppm1 8.290 ppm2 0.864 CV 1 ASSI { 241} (( segid " " and resid 807 and name H )) ( segid " " and resid 805 and name HG2%) 4.500 2.600 1.500 peak 241 spectrum 1 weight 0.10000E+01 volume 0.27426E-03 ppm1 8.290 ppm2 0.726 CV 1 ASSI { 242} (( segid " " and resid 807 and name H )) (( segid " " and resid 806 and name HB2 )) 2.900 1.000 1.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.16777E-02 ppm1 8.290 ppm2 1.960 CV 1 ASSI { 246} (( segid " " and resid 807 and name H )) (( segid " " and resid 808 and name HA )) 5.200 3.300 0.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.22347E-03 ppm1 8.290 ppm2 3.642 CV 1 ASSI { 247} (( segid " " and resid 807 and name H )) (( segid " " and resid 805 and name HA )) 4.300 2.300 1.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.24209E-03 ppm1 8.292 ppm2 3.293 CV 1 ASSI { 250} (( segid " " and resid 807 and name H )) (( segid " " and resid 809 and name H )) 3.900 1.900 1.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.45371E-03 ppm1 8.289 ppm2 7.970 CV 1 ASSI { 252} (( segid " " and resid 807 and name H )) (( segid " " and resid 810 and name H )) 4.700 2.700 1.300 peak 252 spectrum 1 weight 0.10000E+01 volume 0.18623E-03 ppm1 8.290 ppm2 7.443 CV 1 ASSI { 253} (( segid " " and resid 807 and name H )) (( segid " " and resid 808 and name H )) 2.700 0.900 0.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.25868E-02 ppm1 8.290 ppm2 8.541 CV 1 ASSI { 255} (( segid " " and resid 808 and name H )) (( segid " " and resid 809 and name H )) 2.800 1.000 1.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.19875E-02 ppm1 8.539 ppm2 7.973 CV 1 ASSI { 257} (( segid " " and resid 808 and name H )) (( segid " " and resid 806 and name H )) 4.100 2.100 1.900 peak 257 spectrum 1 weight 0.10000E+01 volume 0.36906E-03 ppm1 8.538 ppm2 8.473 CV 1 ASSI { 261} (( segid " " and resid 808 and name H )) (( segid " " and resid 809 and name HA )) 5.000 3.200 1.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.19299E-03 ppm1 8.538 ppm2 3.570 CV 1 ASSI { 263} (( segid " " and resid 808 and name H )) (( segid " " and resid 809 and name HB )) 4.900 3.000 1.100 peak 263 spectrum 1 weight 0.10000E+01 volume 0.26071E-03 ppm1 8.539 ppm2 4.220 CV 1 ASSI { 265} (( segid " " and resid 808 and name H )) (( segid " " and resid 808 and name HB )) 2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.34096E-02 ppm1 8.539 ppm2 1.967 CV 1 ASSI { 270} (( segid " " and resid 808 and name H )) ( segid " " and resid 805 and name HG2%) 4.700 2.700 1.300 peak 270 spectrum 1 weight 0.10000E+01 volume 0.27087E-03 ppm1 8.539 ppm2 0.728 CV 1 ASSI { 271} (( segid " " and resid 809 and name H )) ( segid " " and resid 808 and name HG2%) 3.900 1.900 1.900 peak 271 spectrum 1 weight 0.10000E+01 volume 0.13272E-02 ppm1 7.971 ppm2 1.004 CV 1 ASSI { 273} (( segid " " and resid 809 and name H )) ( segid " " and resid 806 and name HD1%) 4.700 2.800 1.300 peak 273 spectrum 1 weight 0.10000E+01 volume 0.31997E-03 ppm1 7.971 ppm2 0.808 CV 1 ASSI { 277} (( segid " " and resid 809 and name H )) (( segid " " and resid 808 and name HB )) 2.900 1.000 1.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.16354E-02 ppm1 7.972 ppm2 1.966 CV 1 ASSI { 278} (( segid " " and resid 809 and name H )) (( segid " " and resid 806 and name HA )) 3.400 1.400 1.400 peak 278 spectrum 1 weight 0.10000E+01 volume 0.10022E-02 ppm1 7.971 ppm2 3.952 CV 1 ASSI { 279} (( segid " " and resid 809 and name H )) (( segid " " and resid 807 and name HA )) 4.200 2.200 1.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.27764E-03 ppm1 7.970 ppm2 3.899 CV 1 ASSI { 283} (( segid " " and resid 809 and name H )) (( segid " " and resid 809 and name HB )) 2.600 0.900 0.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.27443E-02 ppm1 7.971 ppm2 4.225 CV 1 ASSI { 286} (( segid " " and resid 809 and name H )) (( segid " " and resid 811 and name H )) 4.000 2.000 2.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.34367E-03 ppm1 7.972 ppm2 8.152 CV 1 ASSI { 288} (( segid " " and resid 810 and name H )) (( segid " " and resid 811 and name H )) 2.700 0.900 0.900 peak 288 spectrum 1 weight 0.10000E+01 volume 0.27341E-02 ppm1 7.441 ppm2 8.152 CV 1 ASSI { 289} (( segid " " and resid 810 and name H )) (( segid " " and resid 812 and name H )) 4.100 2.100 1.900 peak 289 spectrum 1 weight 0.10000E+01 volume 0.37075E-03 ppm1 7.441 ppm2 8.061 CV 1 ASSI { 290} (( segid " " and resid 810 and name H )) (( segid " " and resid 809 and name H )) 2.900 1.000 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.19486E-02 ppm1 7.441 ppm2 7.974 CV 1 ASSI { 291} (( segid " " and resid 810 and name H )) (( segid " " and resid 808 and name H )) 4.200 2.200 1.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.37244E-03 ppm1 7.442 ppm2 8.540 CV 1 ASSI { 292} (( segid " " and resid 810 and name H )) (( segid " " and resid 809 and name HB )) 2.700 0.900 0.900 peak 292 spectrum 1 weight 0.10000E+01 volume 0.22567E-02 ppm1 7.441 ppm2 4.224 CV 1 ASSI { 296} (( segid " " and resid 810 and name H )) (( segid " " and resid 808 and name HA )) 4.200 2.200 1.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.30811E-03 ppm1 7.442 ppm2 3.642 CV 1 ASSI { 297} (( segid " " and resid 810 and name H )) (( segid " " and resid 809 and name HA )) 3.500 1.500 1.500 peak 297 spectrum 1 weight 0.10000E+01 volume 0.78212E-03 ppm1 7.441 ppm2 3.571 CV 1 ASSI { 300} (( segid " " and resid 810 and name H )) (( segid " " and resid 810 and name HB3 )) 2.900 1.000 1.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.29102E-02 ppm1 7.441 ppm2 2.167 CV 1 ASSI { 304} (( segid " " and resid 810 and name H )) ( segid " " and resid 808 and name HG2%) 5.000 3.100 1.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.28441E-03 ppm1 7.442 ppm2 1.004 CV 1 ASSI { 306} (( segid " " and resid 811 and name H )) ( segid " " and resid 808 and name HG2%) 4.300 2.300 1.700 peak 306 spectrum 1 weight 0.10000E+01 volume 0.63145E-03 ppm1 8.151 ppm2 1.004 CV 1 ASSI { 307} (( segid " " and resid 811 and name H )) (( segid " " and resid 811 and name HB3 )) 3.900 1.900 1.900 peak 307 spectrum 1 weight 0.10000E+01 volume 0.14746E-02 ppm1 8.151 ppm2 2.677 CV 1 ASSI { 312} (( segid " " and resid 811 and name H )) (( segid " " and resid 812 and name HB )) 4.400 2.500 1.600 peak 312 spectrum 1 weight 0.10000E+01 volume 0.52481E-03 ppm1 8.150 ppm2 1.968 CV 1 ASSI { 313} (( segid " " and resid 811 and name H )) (( segid " " and resid 812 and name HG13)) 4.900 3.100 1.100 peak 313 spectrum 1 weight 0.10000E+01 volume 0.29119E-03 ppm1 8.151 ppm2 1.843 CV 1 ASSI { 314} (( segid " " and resid 811 and name H )) (( segid " " and resid 811 and name HB2 )) 2.600 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.22381E-02 ppm1 8.151 ppm2 3.106 CV 1 ASSI { 316} (( segid " " and resid 811 and name H )) (( segid " " and resid 809 and name HA )) 4.200 2.200 1.800 peak 316 spectrum 1 weight 0.10000E+01 volume 0.26918E-03 ppm1 8.150 ppm2 3.569 CV 1 ASSI { 321} (( segid " " and resid 811 and name H )) (( segid " " and resid 813 and name H )) 4.400 2.400 1.600 peak 321 spectrum 1 weight 0.10000E+01 volume 0.28780E-03 ppm1 8.151 ppm2 7.274 CV 1 ASSI { 322} (( segid " " and resid 811 and name H )) (( segid " " and resid 811 and name HD21)) 4.000 2.000 2.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.47064E-03 ppm1 8.151 ppm2 7.102 CV 1 ASSI { 323} (( segid " " and resid 811 and name H )) (( segid " " and resid 811 and name HD22)) 4.600 2.600 1.400 peak 323 spectrum 1 weight 0.10000E+01 volume 0.30981E-03 ppm1 8.152 ppm2 6.784 CV 1 ASSI { 324} (( segid " " and resid 811 and name H )) (( segid " " and resid 812 and name H )) 2.700 0.900 0.900 peak 324 spectrum 1 weight 0.10000E+01 volume 0.21721E-02 ppm1 8.151 ppm2 8.062 CV 1 ASSI { 328} (( segid " " and resid 811 and name HD21)) (( segid " " and resid 811 and name HD22)) 1.800 0.400 0.400 peak 328 spectrum 1 weight 0.10000E+01 volume 0.15899E-01 ppm1 7.099 ppm2 6.784 CV 1 ASSI { 331} (( segid " " and resid 811 and name HD21)) (( segid " " and resid 825 and name HE21)) 4.000 2.000 2.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.29796E-03 ppm1 7.100 ppm2 6.262 CV 1 ASSI { 332} (( segid " " and resid 811 and name HD22)) (( segid " " and resid 825 and name HE21)) 5.300 3.500 0.700 peak 332 spectrum 1 weight 0.10000E+01 volume 0.22855E-03 ppm1 6.784 ppm2 6.261 CV 1 ASSI { 339} (( segid " " and resid 811 and name HD21)) ( segid " " and resid 807 and name HG2%) 4.100 2.100 1.900 peak 339 spectrum 1 weight 0.10000E+01 volume 0.10513E-02 ppm1 7.099 ppm2 1.170 CV 1 ASSI { 345} (( segid " " and resid 812 and name H )) ( segid " " and resid 809 and name HG2%) 4.500 2.500 1.500 peak 345 spectrum 1 weight 0.10000E+01 volume 0.25563E-03 ppm1 8.061 ppm2 1.168 CV 1 ASSI { 347} (( segid " " and resid 812 and name H )) (( segid " " and resid 812 and name HG12)) 3.900 1.900 1.900 peak 347 spectrum 1 weight 0.10000E+01 volume 0.12206E-02 ppm1 8.060 ppm2 0.868 CV 1 ASSI { 349} (( segid " " and resid 812 and name H )) (( segid " " and resid 809 and name HA )) 3.800 1.800 1.800 peak 349 spectrum 1 weight 0.10000E+01 volume 0.95484E-03 ppm1 8.060 ppm2 3.570 CV 1 ASSI { 351} (( segid " " and resid 812 and name H )) (( segid " " and resid 811 and name HB2 )) 3.100 1.200 1.200 peak 351 spectrum 1 weight 0.10000E+01 volume 0.83631E-03 ppm1 8.060 ppm2 3.108 CV 1 ASSI { 354} (( segid " " and resid 812 and name H )) ( segid " " and resid 813 and name HD% ) 4.600 2.600 1.400 peak 354 spectrum 1 weight 0.10000E+01 volume 0.25225E-03 ppm1 8.060 ppm2 7.332 CV 1 ASSI { 355} (( segid " " and resid 812 and name H )) (( segid " " and resid 813 and name H )) 2.700 0.900 0.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.19435E-02 ppm1 8.060 ppm2 7.273 CV 1 ASSI { 361} (( segid " " and resid 813 and name H )) (( segid " " and resid 812 and name HG12)) 5.200 3.400 0.800 peak 361 spectrum 1 weight 0.10000E+01 volume 0.23363E-03 ppm1 7.273 ppm2 0.865 CV 1 ASSI { 362} (( segid " " and resid 813 and name H )) (( segid " " and resid 812 and name HB )) 2.700 0.900 0.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.20061E-02 ppm1 7.273 ppm2 1.966 CV 1 ASSI { 363} (( segid " " and resid 813 and name H )) (( segid " " and resid 809 and name HA )) 3.600 3.600 2.400 peak 363 spectrum 1 weight 0.10000E+01 volume 0.27595E-03 ppm1 7.273 ppm2 3.570 CV 1 ASSI { 365} (( segid " " and resid 813 and name H )) (( segid " " and resid 813 and name HB2 )) 2.600 0.800 0.800 peak 365 spectrum 1 weight 0.10000E+01 volume 0.25614E-02 ppm1 7.272 ppm2 3.155 CV 1 ASSI { 369} (( segid " " and resid 813 and name H )) (( segid " " and resid 814 and name HA )) 5.100 3.300 0.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.23532E-03 ppm1 7.273 ppm2 4.353 CV 1 ASSI { 370} (( segid " " and resid 813 and name H )) (( segid " " and resid 814 and name H )) 2.700 0.900 0.900 peak 370 spectrum 1 weight 0.10000E+01 volume 0.22364E-02 ppm1 7.273 ppm2 8.523 CV 1 ASSI { 373} (( segid " " and resid 813 and name H )) (( segid " " and resid 815 and name H )) 4.200 2.200 1.800 peak 373 spectrum 1 weight 0.10000E+01 volume 0.43001E-03 ppm1 7.273 ppm2 7.453 CV 1 ASSI { 374} (( segid " " and resid 813 and name H )) ( segid " " and resid 813 and name HD% ) 2.800 1.000 1.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.18114E-02 ppm1 7.272 ppm2 7.332 CV 1 ASSI { 375} (( segid " " and resid 814 and name H )) (( segid " " and resid 811 and name H )) 4.700 2.700 1.300 peak 375 spectrum 1 weight 0.10000E+01 volume 0.19130E-03 ppm1 8.521 ppm2 8.153 CV 1 ASSI { 376} (( segid " " and resid 814 and name H )) (( segid " " and resid 812 and name H )) 3.900 1.900 1.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.38430E-03 ppm1 8.521 ppm2 8.062 CV 1 ASSI { 377} (( segid " " and resid 814 and name H )) (( segid " " and resid 815 and name H )) 2.700 0.900 0.900 peak 377 spectrum 1 weight 0.10000E+01 volume 0.27443E-02 ppm1 8.521 ppm2 7.457 CV 1 ASSI { 378} (( segid " " and resid 814 and name H )) ( segid " " and resid 813 and name HD% ) 4.700 2.700 1.300 peak 378 spectrum 1 weight 0.10000E+01 volume 0.46387E-03 ppm1 8.521 ppm2 7.331 CV 1 ASSI { 380} (( segid " " and resid 814 and name H )) (( segid " " and resid 816 and name H )) 4.100 2.100 1.900 peak 380 spectrum 1 weight 0.10000E+01 volume 0.47064E-03 ppm1 8.521 ppm2 7.042 CV 1 ASSI { 381} (( segid " " and resid 814 and name H )) (( segid " " and resid 811 and name HA )) 3.000 1.100 1.100 peak 381 spectrum 1 weight 0.10000E+01 volume 0.17133E-02 ppm1 8.520 ppm2 4.472 CV 1 ASSI { 386} (( segid " " and resid 814 and name H )) (( segid " " and resid 815 and name HB3 )) 5.700 4.100 0.300 peak 386 spectrum 1 weight 0.10000E+01 volume 0.16591E-03 ppm1 8.523 ppm2 3.787 CV 1 ASSI { 387} (( segid " " and resid 814 and name H )) (( segid " " and resid 812 and name HA )) 4.200 2.200 1.800 peak 387 spectrum 1 weight 0.10000E+01 volume 0.28441E-03 ppm1 8.521 ppm2 3.362 CV 1 ASSI { 388} (( segid " " and resid 814 and name H )) (( segid " " and resid 813 and name HB2 )) 2.900 1.000 1.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.16828E-02 ppm1 8.521 ppm2 3.156 CV 1 ASSI { 390} (( segid " " and resid 815 and name H )) (( segid " " and resid 816 and name HB2 )) 4.700 2.800 1.300 peak 390 spectrum 1 weight 0.10000E+01 volume 0.40631E-03 ppm1 7.455 ppm2 2.082 CV 1 ASSI { 391} (( segid " " and resid 815 and name H )) (( segid " " and resid 816 and name HB3 )) 5.300 3.500 0.700 peak 391 spectrum 1 weight 0.10000E+01 volume 0.32166E-03 ppm1 7.455 ppm2 2.012 CV 1 ASSI { 392} (( segid " " and resid 815 and name H )) ( segid " " and resid 822 and name HE% ) 4.700 2.800 1.300 peak 392 spectrum 1 weight 0.10000E+01 volume 0.21162E-03 ppm1 7.456 ppm2 1.871 CV 1 ASSI { 394} (( segid " " and resid 815 and name H )) (( segid " " and resid 813 and name HB2 )) 3.700 1.700 1.700 peak 394 spectrum 1 weight 0.10000E+01 volume 0.21670E-03 ppm1 7.456 ppm2 3.149 CV 1 ASSI { 399} (( segid " " and resid 815 and name H )) (( segid " " and resid 816 and name HA )) 4.300 2.300 1.700 peak 399 spectrum 1 weight 0.10000E+01 volume 0.59084E-03 ppm1 7.455 ppm2 4.467 CV 1 ASSI { 402} (( segid " " and resid 815 and name H )) (( segid " " and resid 816 and name H )) 2.600 0.800 0.800 peak 402 spectrum 1 weight 0.10000E+01 volume 0.33503E-02 ppm1 7.455 ppm2 7.042 CV 1 ASSI { 406} (( segid " " and resid 816 and name H )) (( segid " " and resid 817 and name H )) 4.100 2.100 1.900 peak 406 spectrum 1 weight 0.10000E+01 volume 0.99715E-03 ppm1 7.041 ppm2 8.117 CV 1 ASSI { 408} (( segid " " and resid 816 and name H )) (( segid " " and resid 813 and name HA )) 3.500 1.500 1.500 peak 408 spectrum 1 weight 0.10000E+01 volume 0.73981E-03 ppm1 7.041 ppm2 4.064 CV 1 ASSI { 409} (( segid " " and resid 816 and name H )) (( segid " " and resid 815 and name HB2 )) 3.800 1.800 1.800 peak 409 spectrum 1 weight 0.10000E+01 volume 0.49095E-03 ppm1 7.041 ppm2 3.948 CV 1 ASSI { 414} (( segid " " and resid 816 and name H )) (( segid " " and resid 816 and name HB2 )) 2.400 0.700 0.700 peak 414 spectrum 1 weight 0.10000E+01 volume 0.46742E-02 ppm1 7.041 ppm2 2.079 CV 1 ASSI { 415} (( segid " " and resid 816 and name H )) (( segid " " and resid 816 and name HB3 )) 3.000 1.100 1.100 peak 415 spectrum 1 weight 0.10000E+01 volume 0.32962E-02 ppm1 7.041 ppm2 2.017 CV 1 ASSI { 416} (( segid " " and resid 816 and name H )) ( segid " " and resid 822 and name HE% ) 4.000 2.000 2.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.45878E-03 ppm1 7.041 ppm2 1.872 CV 1 ASSI { 419} (( segid " " and resid 817 and name H )) (( segid " " and resid 816 and name HB2 )) 4.400 2.400 1.600 peak 419 spectrum 1 weight 0.10000E+01 volume 0.54343E-03 ppm1 8.115 ppm2 2.080 CV 1 ASSI { 420} (( segid " " and resid 817 and name H )) (( segid " " and resid 816 and name HB3 )) 3.700 1.700 1.700 peak 420 spectrum 1 weight 0.10000E+01 volume 0.70937E-03 ppm1 8.115 ppm2 2.011 CV 1 ASSI { 428} (( segid " " and resid 819 and name H )) (( segid " " and resid 818 and name HB3 )) 3.200 1.300 1.300 peak 428 spectrum 1 weight 0.10000E+01 volume 0.68904E-03 ppm1 8.587 ppm2 2.301 CV 1 ASSI { 430} (( segid " " and resid 819 and name H )) (( segid " " and resid 820 and name HA2 )) 5.000 3.100 1.000 peak 430 spectrum 1 weight 0.10000E+01 volume 0.29965E-03 ppm1 8.587 ppm2 3.673 CV 1 ASSI { 431} (( segid " " and resid 819 and name H )) (( segid " " and resid 818 and name HB2 )) 4.500 2.500 1.500 peak 431 spectrum 1 weight 0.10000E+01 volume 0.43847E-03 ppm1 8.588 ppm2 3.107 CV 1 ASSI { 433} (( segid " " and resid 819 and name H )) (( segid " " and resid 820 and name H )) 2.800 1.000 1.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.19774E-02 ppm1 8.587 ppm2 8.416 CV 1 ASSI { 435} (( segid " " and resid 819 and name H )) (( segid " " and resid 821 and name H )) 3.800 1.800 1.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.37922E-03 ppm1 8.588 ppm2 7.760 CV 1 ASSI { 437} (( segid " " and resid 820 and name H )) (( segid " " and resid 822 and name H )) 3.800 1.900 1.900 peak 437 spectrum 1 weight 0.10000E+01 volume 0.78888E-03 ppm1 8.415 ppm2 8.481 CV 1 ASSI { 439} (( segid " " and resid 820 and name H )) (( segid " " and resid 818 and name HA )) 3.100 3.100 2.900 peak 439 spectrum 1 weight 0.10000E+01 volume 0.67041E-03 ppm1 8.415 ppm2 4.783 CV 1 ASSI { 440} (( segid " " and resid 820 and name H )) (( segid " " and resid 821 and name HA )) 4.900 3.000 1.100 peak 440 spectrum 1 weight 0.10000E+01 volume 0.26748E-03 ppm1 8.414 ppm2 4.311 CV 1 ASSI { 445} (( segid " " and resid 821 and name H )) (( segid " " and resid 818 and name HB3 )) 3.900 1.900 1.900 peak 445 spectrum 1 weight 0.10000E+01 volume 0.35890E-03 ppm1 7.758 ppm2 2.302 CV 1 ASSI { 446} (( segid " " and resid 821 and name H )) (( segid " " and resid 821 and name HG3 )) 4.300 2.300 1.700 peak 446 spectrum 1 weight 0.10000E+01 volume 0.70767E-03 ppm1 7.760 ppm2 2.218 CV 1 ASSI { 447} (( segid " " and resid 821 and name H )) (( segid " " and resid 822 and name HB2 )) 4.700 2.800 1.300 peak 447 spectrum 1 weight 0.10000E+01 volume 0.29119E-03 ppm1 7.760 ppm2 2.119 CV 1 ASSI { 448} (( segid " " and resid 821 and name H )) (( segid " " and resid 823 and name HB )) 4.700 2.800 1.300 peak 448 spectrum 1 weight 0.10000E+01 volume 0.20146E-03 ppm1 7.760 ppm2 2.024 CV 1 ASSI { 449} (( segid " " and resid 821 and name H )) (( segid " " and resid 821 and name HB3 )) 2.700 0.900 0.900 peak 449 spectrum 1 weight 0.10000E+01 volume 0.27188E-02 ppm1 7.759 ppm2 1.945 CV 1 ASSI { 450} (( segid " " and resid 821 and name H )) (( segid " " and resid 821 and name HB2 )) 2.800 1.000 1.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.23363E-02 ppm1 7.759 ppm2 1.815 CV 1 ASSI { 451} (( segid " " and resid 821 and name H )) ( segid " " and resid 819 and name HB% ) 4.500 2.600 1.500 peak 451 spectrum 1 weight 0.10000E+01 volume 0.51973E-03 ppm1 7.759 ppm2 1.393 CV 1 ASSI { 452} (( segid " " and resid 821 and name H )) (( segid " " and resid 815 and name HB2 )) 4.900 3.000 1.100 peak 452 spectrum 1 weight 0.10000E+01 volume 0.30642E-03 ppm1 7.759 ppm2 3.940 CV 1 ASSI { 454} (( segid " " and resid 821 and name H )) (( segid " " and resid 820 and name HA2 )) 3.400 1.400 1.400 peak 454 spectrum 1 weight 0.10000E+01 volume 0.12595E-02 ppm1 7.760 ppm2 3.672 CV 1 ASSI { 455} (( segid " " and resid 821 and name H )) (( segid " " and resid 818 and name HB2 )) 4.100 2.100 1.900 peak 455 spectrum 1 weight 0.10000E+01 volume 0.46894E-03 ppm1 7.759 ppm2 3.108 CV 1 ASSI { 456} (( segid " " and resid 821 and name H )) (( segid " " and resid 822 and name HG3 )) 4.900 3.000 1.100 peak 456 spectrum 1 weight 0.10000E+01 volume 0.25056E-03 ppm1 7.760 ppm2 2.680 CV 1 ASSI { 457} (( segid " " and resid 821 and name H )) (( segid " " and resid 818 and name HA )) 5.000 3.100 1.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.28610E-03 ppm1 7.760 ppm2 4.783 CV 1 ASSI { 459} (( segid " " and resid 821 and name H )) (( segid " " and resid 822 and name H )) 2.600 0.800 0.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.28814E-02 ppm1 7.760 ppm2 8.483 CV 1 ASSI { 460} (( segid " " and resid 821 and name H )) (( segid " " and resid 820 and name H )) 2.600 0.800 0.800 peak 460 spectrum 1 weight 0.10000E+01 volume 0.31844E-02 ppm1 7.759 ppm2 8.417 CV 1 ASSI { 465} (( segid " " and resid 822 and name H )) (( segid " " and resid 815 and name HB2 )) 4.200 2.300 1.800 peak 465 spectrum 1 weight 0.10000E+01 volume 0.42324E-03 ppm1 8.481 ppm2 3.946 CV 1 ASSI { 467} (( segid " " and resid 822 and name H )) (( segid " " and resid 815 and name HB3 )) 4.500 2.500 1.500 peak 467 spectrum 1 weight 0.10000E+01 volume 0.24378E-03 ppm1 8.481 ppm2 3.787 CV 1 ASSI { 468} (( segid " " and resid 822 and name H )) (( segid " " and resid 822 and name HA )) 2.800 1.000 1.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.22161E-02 ppm1 8.481 ppm2 3.705 CV 1 ASSI { 469} (( segid " " and resid 822 and name H )) (( segid " " and resid 823 and name HA )) 5.200 3.400 0.800 peak 469 spectrum 1 weight 0.10000E+01 volume 0.19638E-03 ppm1 8.479 ppm2 3.469 CV 1 ASSI { 471} (( segid " " and resid 822 and name H )) (( segid " " and resid 821 and name HG2 )) 4.600 2.700 1.400 peak 471 spectrum 1 weight 0.10000E+01 volume 0.28610E-03 ppm1 8.481 ppm2 2.380 CV 1 ASSI { 473} (( segid " " and resid 822 and name H )) (( segid " " and resid 822 and name HB2 )) 2.500 0.800 0.800 peak 473 spectrum 1 weight 0.10000E+01 volume 0.21687E-02 ppm1 8.481 ppm2 2.117 CV 1 ASSI { 475} (( segid " " and resid 822 and name H )) (( segid " " and resid 821 and name HB3 )) 3.100 1.200 1.200 peak 475 spectrum 1 weight 0.10000E+01 volume 0.85999E-03 ppm1 8.481 ppm2 1.935 CV 1 ASSI { 476} (( segid " " and resid 822 and name H )) (( segid " " and resid 822 and name HB3 )) 3.500 1.600 1.600 peak 476 spectrum 1 weight 0.10000E+01 volume 0.18724E-02 ppm1 8.481 ppm2 1.885 CV 1 ASSI { 477} (( segid " " and resid 822 and name H )) (( segid " " and resid 821 and name HB2 )) 3.800 1.800 1.800 peak 477 spectrum 1 weight 0.10000E+01 volume 0.10005E-02 ppm1 8.481 ppm2 1.816 CV 1 ASSI { 478} (( segid " " and resid 822 and name H )) ( segid " " and resid 878 and name HB% ) 3.900 1.900 1.900 peak 478 spectrum 1 weight 0.10000E+01 volume 0.72794E-03 ppm1 8.481 ppm2 1.397 CV 1 ASSI { 482} (( segid " " and resid 823 and name H )) (( segid " " and resid 822 and name HB3 )) 3.500 1.600 1.600 peak 482 spectrum 1 weight 0.10000E+01 volume 0.12731E-02 ppm1 7.756 ppm2 1.885 CV 1 ASSI { 485} (( segid " " and resid 823 and name H )) (( segid " " and resid 822 and name HB2 )) 2.700 0.900 0.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.11800E-02 ppm1 7.756 ppm2 2.117 CV 1 ASSI { 487} (( segid " " and resid 823 and name H )) (( segid " " and resid 819 and name HA )) 3.900 1.900 1.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.86845E-03 ppm1 7.756 ppm2 3.863 CV 1 ASSI { 488} (( segid " " and resid 823 and name H )) (( segid " " and resid 822 and name HA )) 3.500 1.600 1.600 peak 488 spectrum 1 weight 0.10000E+01 volume 0.70767E-03 ppm1 7.756 ppm2 3.702 CV 1 ASSI { 490} (( segid " " and resid 823 and name H )) (( segid " " and resid 822 and name H )) 2.800 1.000 1.000 peak 490 spectrum 1 weight 0.10000E+01 volume 0.16252E-02 ppm1 7.755 ppm2 8.483 CV 1 ASSI { 491} (( segid " " and resid 823 and name H )) (( segid " " and resid 825 and name H )) 4.000 2.000 2.000 peak 491 spectrum 1 weight 0.10000E+01 volume 0.39954E-03 ppm1 7.756 ppm2 8.426 CV 1 ASSI { 492} (( segid " " and resid 823 and name H )) (( segid " " and resid 826 and name H )) 4.400 2.400 1.600 peak 492 spectrum 1 weight 0.10000E+01 volume 0.24378E-03 ppm1 7.755 ppm2 8.216 CV 1 ASSI { 493} (( segid " " and resid 823 and name H )) (( segid " " and resid 824 and name H )) 2.700 0.900 0.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.19706E-02 ppm1 7.756 ppm2 7.862 CV 1 ASSI { 494} (( segid " " and resid 824 and name H )) (( segid " " and resid 822 and name H )) 3.900 1.900 1.900 peak 494 spectrum 1 weight 0.10000E+01 volume 0.39615E-03 ppm1 7.860 ppm2 8.479 CV 1 ASSI { 495} (( segid " " and resid 824 and name H )) (( segid " " and resid 825 and name H )) 2.700 0.900 0.900 peak 495 spectrum 1 weight 0.10000E+01 volume 0.23582E-02 ppm1 7.860 ppm2 8.432 CV 1 ASSI { 496} (( segid " " and resid 824 and name H )) (( segid " " and resid 826 and name H )) 4.000 2.000 2.000 peak 496 spectrum 1 weight 0.10000E+01 volume 0.45371E-03 ppm1 7.860 ppm2 8.216 CV 1 ASSI { 500} (( segid " " and resid 824 and name H )) (( segid " " and resid 820 and name HA2 )) 3.900 1.900 1.900 peak 500 spectrum 1 weight 0.10000E+01 volume 0.33351E-03 ppm1 7.860 ppm2 3.683 CV 1 ASSI { 501} (( segid " " and resid 824 and name H )) (( segid " " and resid 823 and name HA )) 3.400 1.400 1.400 peak 501 spectrum 1 weight 0.10000E+01 volume 0.87527E-03 ppm1 7.859 ppm2 3.470 CV 1 ASSI { 502} (( segid " " and resid 824 and name H )) (( segid " " and resid 824 and name HD2 )) 5.400 3.600 0.600 peak 502 spectrum 1 weight 0.10000E+01 volume 0.19807E-03 ppm1 7.859 ppm2 3.220 CV 1 ASSI { 503} (( segid " " and resid 824 and name H )) (( segid " " and resid 824 and name HD3 )) 5.000 3.100 1.000 peak 503 spectrum 1 weight 0.10000E+01 volume 0.32335E-03 ppm1 7.860 ppm2 3.075 CV 1 ASSI { 504} (( segid " " and resid 824 and name H )) (( segid " " and resid 825 and name HG2 )) 5.000 3.100 1.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.22516E-03 ppm1 7.861 ppm2 2.551 CV 1 ASSI { 505} (( segid " " and resid 824 and name H )) (( segid " " and resid 822 and name HB2 )) 4.600 2.700 1.400 peak 505 spectrum 1 weight 0.10000E+01 volume 0.27087E-03 ppm1 7.860 ppm2 2.114 CV 1 ASSI { 506} (( segid " " and resid 824 and name H )) (( segid " " and resid 823 and name HB )) 2.800 1.000 1.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.21754E-02 ppm1 7.860 ppm2 2.035 CV 1 ASSI { 507} (( segid " " and resid 824 and name H )) (( segid " " and resid 824 and name HB2 )) 2.500 0.800 0.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.44202E-02 ppm1 7.860 ppm2 1.881 CV 1 OR { 507} (( segid " " and resid 824 and name H )) (( segid " " and resid 824 and name HB3 )) ASSI { 509} (( segid " " and resid 824 and name H )) ( segid " " and resid 826 and name HB% ) 4.500 2.500 1.500 peak 509 spectrum 1 weight 0.10000E+01 volume 0.30642E-03 ppm1 7.859 ppm2 1.415 CV 1 ASSI { 515} (( segid " " and resid 825 and name H )) (( segid " " and resid 826 and name H )) 2.700 0.900 0.900 peak 515 spectrum 1 weight 0.10000E+01 volume 0.20789E-02 ppm1 8.430 ppm2 8.215 CV 1 ASSI { 518} (( segid " " and resid 825 and name H )) (( segid " " and resid 825 and name HE22)) 5.100 3.300 0.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.31827E-03 ppm1 8.431 ppm2 7.381 CV 1 ASSI { 522} (( segid " " and resid 825 and name H )) (( segid " " and resid 823 and name HA )) 4.200 2.200 1.800 peak 522 spectrum 1 weight 0.10000E+01 volume 0.29288E-03 ppm1 8.430 ppm2 3.470 CV 1 ASSI { 523} (( segid " " and resid 825 and name H )) (( segid " " and resid 825 and name HB2 )) 2.900 1.000 1.000 peak 523 spectrum 1 weight 0.10000E+01 volume 0.12105E-02 ppm1 8.431 ppm2 2.108 CV 1 ASSI { 525} (( segid " " and resid 825 and name H )) (( segid " " and resid 824 and name HB3 )) 2.600 0.800 0.800 peak 525 spectrum 1 weight 0.10000E+01 volume 0.20281E-02 ppm1 8.430 ppm2 1.881 CV 1 ASSI { 526} (( segid " " and resid 825 and name H )) (( segid " " and resid 825 and name HB3 )) 3.600 1.600 1.600 peak 526 spectrum 1 weight 0.10000E+01 volume 0.19012E-02 ppm1 8.430 ppm2 1.833 CV 1 ASSI { 528} (( segid " " and resid 825 and name H )) ( segid " " and resid 826 and name HB% ) 4.500 2.500 1.500 peak 528 spectrum 1 weight 0.10000E+01 volume 0.49942E-03 ppm1 8.430 ppm2 1.420 CV 1 ASSI { 529} (( segid " " and resid 825 and name H )) (( segid " " and resid 824 and name HG3 )) 4.600 2.600 1.400 peak 529 spectrum 1 weight 0.10000E+01 volume 0.31489E-03 ppm1 8.431 ppm2 1.297 CV 1 ASSI { 530} (( segid " " and resid 825 and name H )) ( segid " " and resid 808 and name HG2%) 4.900 3.000 1.100 peak 530 spectrum 1 weight 0.10000E+01 volume 0.31320E-03 ppm1 8.430 ppm2 1.006 CV 1 ASSI { 531} (( segid " " and resid 825 and name H )) ( segid " " and resid 823 and name HG2%) 5.300 3.500 0.700 peak 531 spectrum 1 weight 0.10000E+01 volume 0.18961E-03 ppm1 8.431 ppm2 0.950 CV 1 ASSI { 537} (( segid " " and resid 825 and name HE22)) (( segid " " and resid 825 and name HE21)) 2.000 0.500 0.500 peak 537 spectrum 1 weight 0.10000E+01 volume 0.71648E-02 ppm1 7.380 ppm2 6.261 CV 1 ASSI { 541} (( segid " " and resid 826 and name H )) ( segid " " and resid 808 and name HG2%) 4.500 2.500 1.500 peak 541 spectrum 1 weight 0.10000E+01 volume 0.43339E-03 ppm1 8.214 ppm2 1.003 CV 1 ASSI { 542} (( segid " " and resid 826 and name H )) ( segid " " and resid 823 and name HG2%) 4.700 2.800 1.300 peak 542 spectrum 1 weight 0.10000E+01 volume 0.32674E-03 ppm1 8.215 ppm2 0.946 CV 1 ASSI { 543} (( segid " " and resid 826 and name H )) ( segid " " and resid 823 and name HG1%) 3.900 1.900 1.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.79229E-03 ppm1 8.214 ppm2 0.852 CV 1 ASSI { 546} (( segid " " and resid 826 and name H )) (( segid " " and resid 825 and name HB2 )) 3.100 1.200 1.200 peak 546 spectrum 1 weight 0.10000E+01 volume 0.77031E-03 ppm1 8.214 ppm2 2.109 CV 1 ASSI { 547} (( segid " " and resid 826 and name H )) ( segid " " and resid 870 and name HE% ) 4.300 2.300 1.700 peak 547 spectrum 1 weight 0.10000E+01 volume 0.42493E-03 ppm1 8.214 ppm2 1.952 CV 1 ASSI { 550} (( segid " " and resid 826 and name H )) (( segid " " and resid 822 and name HA )) 4.000 2.000 2.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.34367E-03 ppm1 8.214 ppm2 3.706 CV 1 ASSI { 552} (( segid " " and resid 826 and name H )) (( segid " " and resid 871 and name HA )) 5.300 3.500 0.700 peak 552 spectrum 1 weight 0.10000E+01 volume 0.21839E-03 ppm1 8.213 ppm2 3.369 CV 1 ASSI { 553} (( segid " " and resid 826 and name H )) (( segid " " and resid 827 and name H )) 2.700 0.900 0.900 peak 553 spectrum 1 weight 0.10000E+01 volume 0.26681E-02 ppm1 8.214 ppm2 7.868 CV 1 ASSI { 554} (( segid " " and resid 826 and name H )) (( segid " " and resid 828 and name H )) 4.100 2.100 1.900 peak 554 spectrum 1 weight 0.10000E+01 volume 0.34197E-03 ppm1 8.215 ppm2 7.582 CV 1 ASSI { 556} (( segid " " and resid 827 and name H )) (( segid " " and resid 829 and name H )) 3.900 1.900 1.900 peak 556 spectrum 1 weight 0.10000E+01 volume 0.53835E-03 ppm1 7.868 ppm2 8.602 CV 1 ASSI { 557} (( segid " " and resid 827 and name H )) (( segid " " and resid 825 and name H )) 4.100 2.100 1.900 peak 557 spectrum 1 weight 0.10000E+01 volume 0.34028E-03 ppm1 7.867 ppm2 8.432 CV 1 ASSI { 559} (( segid " " and resid 827 and name H )) (( segid " " and resid 828 and name H )) 2.500 0.800 0.800 peak 559 spectrum 1 weight 0.10000E+01 volume 0.29914E-02 ppm1 7.868 ppm2 7.580 CV 1 ASSI { 561} (( segid " " and resid 827 and name H )) (( segid " " and resid 826 and name HA )) 3.100 1.200 1.200 peak 561 spectrum 1 weight 0.10000E+01 volume 0.16218E-02 ppm1 7.867 ppm2 3.871 CV 1 ASSI { 563} (( segid " " and resid 827 and name H )) (( segid " " and resid 823 and name HA )) 3.800 1.800 1.800 peak 563 spectrum 1 weight 0.10000E+01 volume 0.54851E-03 ppm1 7.867 ppm2 3.469 CV 1 ASSI { 565} (( segid " " and resid 827 and name H )) (( segid " " and resid 827 and name HB2 )) 2.400 0.700 0.700 peak 565 spectrum 1 weight 0.10000E+01 volume 0.44219E-02 ppm1 7.867 ppm2 1.920 CV 1 ASSI { 567} (( segid " " and resid 827 and name H )) (( segid " " and resid 828 and name HG13)) 4.500 2.600 1.500 peak 567 spectrum 1 weight 0.10000E+01 volume 0.30134E-03 ppm1 7.868 ppm2 1.709 CV 1 ASSI { 569} (( segid " " and resid 827 and name H )) ( segid " " and resid 871 and name HG2%) 4.200 2.200 1.800 peak 569 spectrum 1 weight 0.10000E+01 volume 0.39276E-03 ppm1 7.868 ppm2 0.996 CV 1 ASSI { 570} (( segid " " and resid 827 and name H )) ( segid " " and resid 823 and name HG1%) 3.700 1.700 1.700 peak 570 spectrum 1 weight 0.10000E+01 volume 0.86681E-03 ppm1 7.867 ppm2 0.847 CV 1 ASSI { 573} (( segid " " and resid 828 and name H )) (( segid " " and resid 829 and name H )) 2.700 0.900 0.900 peak 573 spectrum 1 weight 0.10000E+01 volume 0.19486E-02 ppm1 7.579 ppm2 8.603 CV 1 ASSI { 576} (( segid " " and resid 836 and name H )) (( segid " " and resid 837 and name H )) 2.700 0.900 0.900 peak 576 spectrum 1 weight 0.10000E+01 volume 0.22465E-02 ppm1 7.593 ppm2 9.044 CV 1 ASSI { 577} (( segid " " and resid 836 and name H )) (( segid " " and resid 835 and name HA )) 3.500 1.500 1.500 peak 577 spectrum 1 weight 0.10000E+01 volume 0.90400E-03 ppm1 7.593 ppm2 4.391 CV 1 ASSI { 578} (( segid " " and resid 836 and name H )) (( segid " " and resid 836 and name HA )) 2.700 0.900 0.900 peak 578 spectrum 1 weight 0.10000E+01 volume 0.24666E-02 ppm1 7.593 ppm2 4.250 CV 1 ASSI { 579} (( segid " " and resid 836 and name H )) (( segid " " and resid 833 and name HB )) 5.000 3.100 1.000 peak 579 spectrum 1 weight 0.10000E+01 volume 0.15575E-03 ppm1 7.592 ppm2 4.054 CV 1 ASSI { 580} (( segid " " and resid 828 and name H )) (( segid " " and resid 827 and name HA )) 3.400 1.400 1.400 peak 580 spectrum 1 weight 0.10000E+01 volume 0.85999E-03 ppm1 7.581 ppm2 4.002 CV 1 ASSI { 582} (( segid " " and resid 836 and name H )) (( segid " " and resid 833 and name HA )) 2.900 1.100 1.100 peak 582 spectrum 1 weight 0.10000E+01 volume 0.15930E-02 ppm1 7.592 ppm2 3.851 CV 1 ASSI { 585} (( segid " " and resid 836 and name H )) (( segid " " and resid 835 and name HB3 )) 3.100 1.200 1.200 peak 585 spectrum 1 weight 0.10000E+01 volume 0.11004E-02 ppm1 7.593 ppm2 2.607 CV 1 ASSI { 586} (( segid " " and resid 828 and name H )) (( segid " " and resid 828 and name HB )) 2.500 0.800 0.800 peak 586 spectrum 1 weight 0.10000E+01 volume 0.33317E-02 ppm1 7.579 ppm2 1.966 CV 1 ASSI { 590} (( segid " " and resid 836 and name H )) (( segid " " and resid 836 and name HB3 )) 3.400 1.400 1.400 peak 590 spectrum 1 weight 0.10000E+01 volume 0.27527E-02 ppm1 7.593 ppm2 1.390 CV 1 ASSI { 591} (( segid " " and resid 836 and name H )) (( segid " " and resid 836 and name HG )) 3.400 1.500 1.500 peak 591 spectrum 1 weight 0.10000E+01 volume 0.66365E-03 ppm1 7.593 ppm2 1.239 CV 1 ASSI { 593} (( segid " " and resid 828 and name H )) (( segid " " and resid 828 and name HG12)) 3.900 1.900 1.900 peak 593 spectrum 1 weight 0.10000E+01 volume 0.15812E-02 ppm1 7.580 ppm2 0.968 CV 1 ASSI { 599} (( segid " " and resid 829 and name H )) ( segid " " and resid 829 and name HD2%) 4.000 2.000 2.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.79399E-03 ppm1 8.600 ppm2 0.889 CV 1 ASSI { 603} (( segid " " and resid 829 and name H )) (( segid " " and resid 829 and name HB3 )) 3.500 1.500 1.500 peak 603 spectrum 1 weight 0.10000E+01 volume 0.22516E-02 ppm1 8.601 ppm2 1.558 CV 1 ASSI { 604} (( segid " " and resid 829 and name H )) (( segid " " and resid 825 and name HB2 )) 3.600 1.600 1.600 peak 604 spectrum 1 weight 0.10000E+01 volume 0.26240E-03 ppm1 8.601 ppm2 2.120 CV 1 ASSI { 605} (( segid " " and resid 829 and name H )) (( segid " " and resid 829 and name HB2 )) 2.600 0.800 0.800 peak 605 spectrum 1 weight 0.10000E+01 volume 0.22381E-02 ppm1 8.601 ppm2 2.033 CV 1 ASSI { 606} (( segid " " and resid 829 and name H )) (( segid " " and resid 828 and name HB )) 2.700 0.900 0.900 peak 606 spectrum 1 weight 0.10000E+01 volume 0.21094E-02 ppm1 8.601 ppm2 1.968 CV 1 ASSI { 607} (( segid " " and resid 829 and name H )) (( segid " " and resid 828 and name HG13)) 4.600 2.700 1.400 peak 607 spectrum 1 weight 0.10000E+01 volume 0.35890E-03 ppm1 8.601 ppm2 1.711 CV 1 ASSI { 608} (( segid " " and resid 829 and name H )) (( segid " " and resid 827 and name HA )) 4.100 2.100 1.900 peak 608 spectrum 1 weight 0.10000E+01 volume 0.30642E-03 ppm1 8.600 ppm2 4.001 CV 1 ASSI { 612} (( segid " " and resid 829 and name H )) (( segid " " and resid 830 and name H )) 2.800 1.000 1.000 peak 612 spectrum 1 weight 0.10000E+01 volume 0.17658E-02 ppm1 8.601 ppm2 8.179 CV 1 ASSI { 614} (( segid " " and resid 829 and name H )) (( segid " " and resid 831 and name H )) 4.400 2.400 1.600 peak 614 spectrum 1 weight 0.10000E+01 volume 0.30473E-03 ppm1 8.601 ppm2 7.688 CV 1 ASSI { 617} (( segid " " and resid 830 and name H )) (( segid " " and resid 831 and name H )) 2.800 0.900 0.900 peak 617 spectrum 1 weight 0.10000E+01 volume 0.23938E-02 ppm1 8.177 ppm2 7.688 CV 1 ASSI { 618} (( segid " " and resid 830 and name H )) (( segid " " and resid 828 and name H )) 4.100 2.100 1.900 peak 618 spectrum 1 weight 0.10000E+01 volume 0.33520E-03 ppm1 8.177 ppm2 7.581 CV 1 ASSI { 622} (( segid " " and resid 830 and name H )) (( segid " " and resid 828 and name HA )) 4.200 2.200 1.800 peak 622 spectrum 1 weight 0.10000E+01 volume 0.27426E-03 ppm1 8.176 ppm2 3.634 CV 1 ASSI { 623} (( segid " " and resid 830 and name H )) (( segid " " and resid 831 and name HB3 )) 4.400 2.500 1.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.55021E-03 ppm1 8.176 ppm2 2.133 CV 1 ASSI { 624} (( segid " " and resid 830 and name H )) (( segid " " and resid 829 and name HB2 )) 2.800 1.000 1.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.19282E-02 ppm1 8.177 ppm2 2.034 CV 1 ASSI { 625} (( segid " " and resid 830 and name H )) (( segid " " and resid 829 and name HB3 )) 3.600 1.600 1.600 peak 625 spectrum 1 weight 0.10000E+01 volume 0.11969E-02 ppm1 8.177 ppm2 1.557 CV 1 ASSI { 630} (( segid " " and resid 830 and name H )) ( segid " " and resid 871 and name HG1%) 4.100 2.100 1.900 peak 630 spectrum 1 weight 0.10000E+01 volume 0.50450E-03 ppm1 8.176 ppm2 0.849 CV 1 ASSI { 632} (( segid " " and resid 831 and name H )) ( segid " " and resid 867 and name HG2%) 5.100 3.300 0.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.30642E-03 ppm1 7.686 ppm2 1.108 CV 1 ASSI { 637} (( segid " " and resid 831 and name H )) (( segid " " and resid 831 and name HB3 )) 2.300 0.600 0.600 peak 637 spectrum 1 weight 0.10000E+01 volume 0.73711E-02 ppm1 7.687 ppm2 2.136 CV 1 ASSI { 639} (( segid " " and resid 831 and name H )) (( segid " " and resid 830 and name HA )) 3.400 1.400 1.400 peak 639 spectrum 1 weight 0.10000E+01 volume 0.10361E-02 ppm1 7.687 ppm2 3.868 CV 1 ASSI { 642} (( segid " " and resid 831 and name H )) (( segid " " and resid 833 and name H )) 4.000 2.000 2.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.52312E-03 ppm1 7.687 ppm2 8.712 CV 1 ASSI { 644} (( segid " " and resid 831 and name H )) (( segid " " and resid 832 and name H )) 2.500 0.800 0.800 peak 644 spectrum 1 weight 0.10000E+01 volume 0.40427E-02 ppm1 7.687 ppm2 8.364 CV 1 ASSI { 646} (( segid " " and resid 866 and name H )) (( segid " " and resid 865 and name H )) 2.600 0.800 0.800 peak 646 spectrum 1 weight 0.10000E+01 volume 0.32944E-02 ppm1 8.356 ppm2 8.622 CV 1 ASSI { 647} (( segid " " and resid 866 and name H )) (( segid " " and resid 867 and name H )) 2.700 0.900 0.900 peak 647 spectrum 1 weight 0.10000E+01 volume 0.26681E-02 ppm1 8.356 ppm2 8.474 CV 1 ASSI { 648} (( segid " " and resid 866 and name H )) (( segid " " and resid 868 and name H )) 4.200 2.200 1.800 peak 648 spectrum 1 weight 0.10000E+01 volume 0.50958E-03 ppm1 8.357 ppm2 7.962 CV 1 ASSI { 649} (( segid " " and resid 866 and name H )) (( segid " " and resid 863 and name H )) 4.200 2.200 1.800 peak 649 spectrum 1 weight 0.10000E+01 volume 0.25563E-03 ppm1 8.355 ppm2 7.885 CV 1 ASSI { 650} (( segid " " and resid 866 and name H )) (( segid " " and resid 869 and name H )) 4.100 2.100 1.900 peak 650 spectrum 1 weight 0.10000E+01 volume 0.31827E-03 ppm1 8.358 ppm2 7.577 CV 1 ASSI { 651} (( segid " " and resid 866 and name H )) (( segid " " and resid 865 and name HA )) 3.100 1.200 1.200 peak 651 spectrum 1 weight 0.10000E+01 volume 0.16980E-02 ppm1 8.356 ppm2 4.349 CV 1 ASSI { 652} (( segid " " and resid 866 and name H )) (( segid " " and resid 867 and name HB )) 4.800 2.900 1.200 peak 652 spectrum 1 weight 0.10000E+01 volume 0.36737E-03 ppm1 8.356 ppm2 4.281 CV 1 ASSI { 655} (( segid " " and resid 866 and name H )) (( segid " " and resid 863 and name HA )) 3.100 1.200 1.200 peak 655 spectrum 1 weight 0.10000E+01 volume 0.14035E-02 ppm1 8.357 ppm2 3.916 CV 1 ASSI { 657} (( segid " " and resid 866 and name H )) (( segid " " and resid 867 and name HA )) 5.000 3.100 1.000 peak 657 spectrum 1 weight 0.10000E+01 volume 0.24040E-03 ppm1 8.356 ppm2 3.719 CV 1 ASSI { 660} (( segid " " and resid 866 and name H )) (( segid " " and resid 869 and name HB2 )) 4.400 2.400 1.600 peak 660 spectrum 1 weight 0.10000E+01 volume 0.28103E-03 ppm1 8.358 ppm2 1.862 CV 1 ASSI { 668} (( segid " " and resid 833 and name H )) ( segid " " and resid 837 and name HG2%) 4.500 2.500 1.500 peak 668 spectrum 1 weight 0.10000E+01 volume 0.28950E-03 ppm1 8.710 ppm2 0.999 CV 1 ASSI { 669} (( segid " " and resid 833 and name H )) ( segid " " and resid 829 and name HD2%) 4.200 2.200 1.800 peak 669 spectrum 1 weight 0.10000E+01 volume 0.52481E-03 ppm1 8.710 ppm2 0.883 CV 1 ASSI { 671} (( segid " " and resid 833 and name H )) (( segid " " and resid 831 and name HB3 )) 3.500 1.600 1.600 peak 671 spectrum 1 weight 0.10000E+01 volume 0.29288E-03 ppm1 8.710 ppm2 2.135 CV 1 ASSI { 672} (( segid " " and resid 833 and name H )) (( segid " " and resid 832 and name HA )) 2.800 1.000 1.000 peak 672 spectrum 1 weight 0.10000E+01 volume 0.36838E-02 ppm1 8.710 ppm2 4.207 CV 1 ASSI { 673} (( segid " " and resid 833 and name H )) (( segid " " and resid 833 and name HB )) 2.600 0.800 0.800 peak 673 spectrum 1 weight 0.10000E+01 volume 0.31861E-02 ppm1 8.710 ppm2 4.052 CV 1 ASSI { 675} (( segid " " and resid 833 and name H )) (( segid " " and resid 833 and name HA )) 2.600 0.900 0.900 peak 675 spectrum 1 weight 0.10000E+01 volume 0.30185E-02 ppm1 8.710 ppm2 3.853 CV 1 ASSI { 676} (( segid " " and resid 833 and name H )) (( segid " " and resid 832 and name H )) 2.700 0.900 0.900 peak 676 spectrum 1 weight 0.10000E+01 volume 0.24852E-02 ppm1 8.710 ppm2 8.364 CV 1 ASSI { 677} (( segid " " and resid 833 and name H )) (( segid " " and resid 830 and name H )) 4.400 2.400 1.600 peak 677 spectrum 1 weight 0.10000E+01 volume 0.20823E-03 ppm1 8.710 ppm2 8.180 CV 1 ASSI { 678} (( segid " " and resid 833 and name H )) (( segid " " and resid 835 and name H )) 4.200 2.200 1.800 peak 678 spectrum 1 weight 0.10000E+01 volume 0.37244E-03 ppm1 8.710 ppm2 8.121 CV 1 ASSI { 679} (( segid " " and resid 833 and name H )) (( segid " " and resid 834 and name H )) 2.700 0.900 0.900 peak 679 spectrum 1 weight 0.10000E+01 volume 0.26021E-02 ppm1 8.710 ppm2 8.008 CV 1 ASSI { 681} (( segid " " and resid 833 and name H )) (( segid " " and resid 836 and name H )) 4.600 2.700 1.400 peak 681 spectrum 1 weight 0.10000E+01 volume 0.24040E-03 ppm1 8.711 ppm2 7.593 CV 1 ASSI { 683} (( segid " " and resid 834 and name H )) (( segid " " and resid 835 and name H )) 2.700 0.900 0.900 peak 683 spectrum 1 weight 0.10000E+01 volume 0.29779E-02 ppm1 8.007 ppm2 8.121 CV 1 ASSI { 684} (( segid " " and resid 834 and name H )) (( segid " " and resid 832 and name H )) 3.800 1.800 1.800 peak 684 spectrum 1 weight 0.10000E+01 volume 0.51465E-03 ppm1 8.006 ppm2 8.365 CV 1 ASSI { 685} (( segid " " and resid 834 and name H )) (( segid " " and resid 836 and name H )) 4.000 2.000 2.000 peak 685 spectrum 1 weight 0.10000E+01 volume 0.57729E-03 ppm1 8.007 ppm2 7.594 CV 1 ASSI { 686} (( segid " " and resid 834 and name H )) (( segid " " and resid 835 and name HA )) 4.900 3.000 1.100 peak 686 spectrum 1 weight 0.10000E+01 volume 0.32166E-03 ppm1 8.007 ppm2 4.390 CV 1 ASSI { 687} (( segid " " and resid 834 and name H )) (( segid " " and resid 832 and name HA )) 3.300 1.400 1.400 peak 687 spectrum 1 weight 0.10000E+01 volume 0.12189E-02 ppm1 8.007 ppm2 4.207 CV 1 ASSI { 688} (( segid " " and resid 834 and name H )) (( segid " " and resid 833 and name HB )) 2.800 1.000 1.000 peak 688 spectrum 1 weight 0.10000E+01 volume 0.23599E-02 ppm1 8.007 ppm2 4.052 CV 1 ASSI { 689} (( segid " " and resid 834 and name H )) (( segid " " and resid 834 and name HA )) 2.600 0.900 0.900 peak 689 spectrum 1 weight 0.10000E+01 volume 0.35501E-02 ppm1 8.007 ppm2 4.005 CV 1 ASSI { 690} (( segid " " and resid 834 and name H )) (( segid " " and resid 834 and name HB2 )) 2.200 0.600 0.600 peak 690 spectrum 1 weight 0.10000E+01 volume 0.72342E-02 ppm1 8.007 ppm2 3.950 CV 1 ASSI { 692} (( segid " " and resid 834 and name H )) (( segid " " and resid 837 and name HB )) 4.800 2.900 1.200 peak 692 spectrum 1 weight 0.10000E+01 volume 0.29119E-03 ppm1 8.007 ppm2 2.191 CV 1 ASSI { 693} (( segid " " and resid 834 and name H )) (( segid " " and resid 831 and name HB2 )) 3.600 3.600 2.400 peak 693 spectrum 1 weight 0.10000E+01 volume 0.26579E-03 ppm1 8.007 ppm2 2.136 CV 1 ASSI { 694} (( segid " " and resid 834 and name H )) (( segid " " and resid 835 and name HB2 )) 4.900 3.100 1.100 peak 694 spectrum 1 weight 0.10000E+01 volume 0.30304E-03 ppm1 8.008 ppm2 2.777 CV 1 ASSI { 695} (( segid " " and resid 834 and name H )) (( segid " " and resid 835 and name HB3 )) 5.500 3.800 0.500 peak 695 spectrum 1 weight 0.10000E+01 volume 0.17776E-03 ppm1 8.007 ppm2 2.608 CV 1 ASSI { 696} (( segid " " and resid 834 and name H )) ( segid " " and resid 832 and name HB% ) 3.100 1.200 1.200 peak 696 spectrum 1 weight 0.10000E+01 volume 0.62134E-03 ppm1 8.006 ppm2 1.421 CV 1 ASSI { 698} (( segid " " and resid 834 and name H )) ( segid " " and resid 837 and name HG2%) 4.200 2.200 1.800 peak 698 spectrum 1 weight 0.10000E+01 volume 0.41308E-03 ppm1 8.007 ppm2 0.995 CV 1 ASSI { 699} (( segid " " and resid 834 and name H )) (( segid " " and resid 805 and name HG12)) 4.700 2.700 1.300 peak 699 spectrum 1 weight 0.10000E+01 volume 0.26410E-03 ppm1 8.006 ppm2 0.851 CV 1 ASSI { 700} (( segid " " and resid 834 and name H )) ( segid " " and resid 805 and name HD1%) 4.900 3.000 1.100 peak 700 spectrum 1 weight 0.10000E+01 volume 0.26579E-03 ppm1 8.006 ppm2 0.713 CV 1 ASSI { 701} (( segid " " and resid 835 and name H )) ( segid " " and resid 832 and name HB% ) 3.300 1.400 1.400 peak 701 spectrum 1 weight 0.10000E+01 volume 0.46217E-03 ppm1 8.119 ppm2 1.424 CV 1 ASSI { 703} (( segid " " and resid 835 and name H )) ( segid " " and resid 837 and name HG2%) 5.000 3.100 1.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.17437E-03 ppm1 8.120 ppm2 0.995 CV 1 ASSI { 704} (( segid " " and resid 835 and name H )) ( segid " " and resid 805 and name HD1%) 4.700 2.800 1.300 peak 704 spectrum 1 weight 0.10000E+01 volume 0.23024E-03 ppm1 8.118 ppm2 0.702 CV 1 ASSI { 705} (( segid " " and resid 835 and name H )) (( segid " " and resid 835 and name HB3 )) 2.800 0.900 0.900 peak 705 spectrum 1 weight 0.10000E+01 volume 0.28001E-02 ppm1 8.119 ppm2 2.607 CV 1 ASSI { 706} (( segid " " and resid 835 and name H )) (( segid " " and resid 831 and name HG3 )) 3.600 3.600 2.400 peak 706 spectrum 1 weight 0.10000E+01 volume 0.28103E-03 ppm1 8.119 ppm2 2.324 CV 1 ASSI { 707} (( segid " " and resid 835 and name H )) (( segid " " and resid 836 and name HB2 )) 4.900 3.000 1.100 peak 707 spectrum 1 weight 0.10000E+01 volume 0.27426E-03 ppm1 8.118 ppm2 1.903 CV 1 ASSI { 711} (( segid " " and resid 835 and name H )) (( segid " " and resid 834 and name HA )) 3.200 1.300 1.300 peak 711 spectrum 1 weight 0.10000E+01 volume 0.12663E-02 ppm1 8.119 ppm2 4.003 CV 1 ASSI { 712} (( segid " " and resid 835 and name H )) (( segid " " and resid 834 and name HB2 )) 2.600 0.800 0.800 peak 712 spectrum 1 weight 0.10000E+01 volume 0.39937E-02 ppm1 8.119 ppm2 3.950 CV 1 ASSI { 713} (( segid " " and resid 835 and name H )) (( segid " " and resid 833 and name HA )) 3.800 1.800 1.800 peak 713 spectrum 1 weight 0.10000E+01 volume 0.42154E-03 ppm1 8.119 ppm2 3.851 CV 1 ASSI { 715} (( segid " " and resid 835 and name H )) (( segid " " and resid 836 and name H )) 2.600 0.800 0.800 peak 715 spectrum 1 weight 0.10000E+01 volume 0.32843E-02 ppm1 8.119 ppm2 7.594 CV 1 ASSI { 716} (( segid " " and resid 835 and name H )) (( segid " " and resid 832 and name H )) 3.700 1.700 1.700 peak 716 spectrum 1 weight 0.10000E+01 volume 0.24209E-03 ppm1 8.119 ppm2 8.365 CV 1 ASSI { 717} (( segid " " and resid 835 and name H )) (( segid " " and resid 837 and name H )) 4.300 2.300 1.700 peak 717 spectrum 1 weight 0.10000E+01 volume 0.36567E-03 ppm1 8.119 ppm2 9.043 CV 1 ASSI { 719} (( segid " " and resid 837 and name H )) ( segid " " and resid 863 and name HD2%) 3.500 1.600 1.600 peak 719 spectrum 1 weight 0.10000E+01 volume 0.84306E-03 ppm1 9.042 ppm2 0.674 CV 1 ASSI { 721} (( segid " " and resid 837 and name H )) ( segid " " and resid 833 and name HG2%) 4.000 2.000 2.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.48588E-03 ppm1 9.041 ppm2 1.105 CV 1 ASSI { 724} (( segid " " and resid 837 and name H )) ( segid " " and resid 860 and name HB% ) 5.000 3.100 1.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.29796E-03 ppm1 9.042 ppm2 1.471 CV 1 ASSI { 725} (( segid " " and resid 837 and name H )) (( segid " " and resid 836 and name HB3 )) 3.500 1.600 1.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.82443E-03 ppm1 9.041 ppm2 1.387 CV 1 ASSI { 726} (( segid " " and resid 837 and name H )) (( segid " " and resid 836 and name HG )) 4.500 2.500 1.500 peak 726 spectrum 1 weight 0.10000E+01 volume 0.41477E-03 ppm1 9.041 ppm2 1.238 CV 1 ASSI { 727} (( segid " " and resid 837 and name H )) (( segid " " and resid 836 and name HB2 )) 3.100 1.200 1.200 peak 727 spectrum 1 weight 0.10000E+01 volume 0.10107E-02 ppm1 9.041 ppm2 1.904 CV 1 ASSI { 729} (( segid " " and resid 837 and name H )) (( segid " " and resid 837 and name HB )) 2.600 0.800 0.800 peak 729 spectrum 1 weight 0.10000E+01 volume 0.33385E-02 ppm1 9.042 ppm2 2.191 CV 1 ASSI { 730} (( segid " " and resid 837 and name H )) (( segid " " and resid 838 and name HB2 )) 5.200 3.400 0.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.17437E-03 ppm1 9.042 ppm2 2.860 CV 1 ASSI { 731} (( segid " " and resid 837 and name H )) (( segid " " and resid 834 and name HA )) 3.300 1.400 1.400 peak 731 spectrum 1 weight 0.10000E+01 volume 0.10733E-02 ppm1 9.042 ppm2 4.006 CV 1 ASSI { 732} (( segid " " and resid 837 and name H )) (( segid " " and resid 834 and name HB3 )) 4.500 2.500 1.500 peak 732 spectrum 1 weight 0.10000E+01 volume 0.26410E-03 ppm1 9.041 ppm2 3.949 CV 1 ASSI { 733} (( segid " " and resid 837 and name H )) (( segid " " and resid 833 and name HA )) 3.700 1.700 1.700 peak 733 spectrum 1 weight 0.10000E+01 volume 0.61117E-03 ppm1 9.042 ppm2 3.849 CV 1 ASSI { 735} (( segid " " and resid 837 and name H )) (( segid " " and resid 835 and name HA )) 4.400 2.400 1.600 peak 735 spectrum 1 weight 0.10000E+01 volume 0.23363E-03 ppm1 9.040 ppm2 4.378 CV 1 ASSI { 736} (( segid " " and resid 837 and name H )) (( segid " " and resid 838 and name HA )) 5.000 3.100 1.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.24209E-03 ppm1 9.042 ppm2 4.360 CV 1 ASSI { 739} (( segid " " and resid 837 and name H )) (( segid " " and resid 834 and name H )) 4.700 2.800 1.300 peak 739 spectrum 1 weight 0.10000E+01 volume 0.16083E-03 ppm1 9.043 ppm2 8.008 CV 1 ASSI { 740} (( segid " " and resid 837 and name H )) (( segid " " and resid 839 and name H )) 4.300 2.300 1.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.29796E-03 ppm1 9.042 ppm2 7.799 CV 1 ASSI { 742} (( segid " " and resid 838 and name H )) (( segid " " and resid 837 and name H )) 2.700 0.900 0.900 peak 742 spectrum 1 weight 0.10000E+01 volume 0.23599E-02 ppm1 8.106 ppm2 9.044 CV 1 ASSI { 743} (( segid " " and resid 838 and name H )) (( segid " " and resid 840 and name H )) 4.100 2.100 1.900 peak 743 spectrum 1 weight 0.10000E+01 volume 0.43678E-03 ppm1 8.106 ppm2 8.562 CV 1 ASSI { 744} (( segid " " and resid 838 and name H )) (( segid " " and resid 841 and name H )) 4.200 2.200 1.800 peak 744 spectrum 1 weight 0.10000E+01 volume 0.30134E-03 ppm1 8.107 ppm2 8.500 CV 1 ASSI { 745} (( segid " " and resid 838 and name H )) (( segid " " and resid 839 and name H )) 2.600 0.800 0.800 peak 745 spectrum 1 weight 0.10000E+01 volume 0.33909E-02 ppm1 8.107 ppm2 7.800 CV 1 ASSI { 746} (( segid " " and resid 838 and name H )) (( segid " " and resid 838 and name HD21)) 3.300 1.300 1.300 peak 746 spectrum 1 weight 0.10000E+01 volume 0.95989E-03 ppm1 8.107 ppm2 7.602 CV 1 ASSI { 747} (( segid " " and resid 838 and name H )) (( segid " " and resid 838 and name HD22)) 4.400 2.500 1.600 peak 747 spectrum 1 weight 0.10000E+01 volume 0.43847E-03 ppm1 8.106 ppm2 6.793 CV 1 ASSI { 749} (( segid " " and resid 838 and name H )) (( segid " " and resid 836 and name HA )) 4.100 2.100 1.900 peak 749 spectrum 1 weight 0.10000E+01 volume 0.32166E-03 ppm1 8.106 ppm2 4.249 CV 1 ASSI { 750} (( segid " " and resid 838 and name H )) (( segid " " and resid 839 and name HA )) 4.900 3.000 1.100 peak 750 spectrum 1 weight 0.10000E+01 volume 0.35213E-03 ppm1 8.106 ppm2 4.168 CV 1 ASSI { 751} (( segid " " and resid 838 and name H )) (( segid " " and resid 834 and name HA )) 3.700 1.700 1.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.83631E-03 ppm1 8.106 ppm2 4.005 CV 1 ASSI { 752} (( segid " " and resid 838 and name H )) (( segid " " and resid 834 and name HB3 )) 4.200 2.200 1.800 peak 752 spectrum 1 weight 0.10000E+01 volume 0.25733E-03 ppm1 8.107 ppm2 3.950 CV 1 ASSI { 756} (( segid " " and resid 838 and name H )) (( segid " " and resid 837 and name HB )) 2.600 0.900 0.900 peak 756 spectrum 1 weight 0.10000E+01 volume 0.29220E-02 ppm1 8.107 ppm2 2.192 CV 1 ASSI { 757} (( segid " " and resid 838 and name H )) (( segid " " and resid 841 and name HB2 )) 4.600 2.600 1.400 peak 757 spectrum 1 weight 0.10000E+01 volume 0.21500E-03 ppm1 8.107 ppm2 1.785 CV 1 ASSI { 759} (( segid " " and resid 838 and name H )) ( segid " " and resid 860 and name HB% ) 4.900 3.000 1.100 peak 759 spectrum 1 weight 0.10000E+01 volume 0.21839E-03 ppm1 8.107 ppm2 1.467 CV 1 ASSI { 760} (( segid " " and resid 838 and name H )) (( segid " " and resid 836 and name HB3 )) 4.800 2.900 1.200 peak 760 spectrum 1 weight 0.10000E+01 volume 0.21162E-03 ppm1 8.108 ppm2 1.382 CV 1 ASSI { 761} (( segid " " and resid 838 and name H )) ( segid " " and resid 837 and name HG2%) 3.900 1.900 1.900 peak 761 spectrum 1 weight 0.10000E+01 volume 0.12968E-02 ppm1 8.107 ppm2 0.995 CV 1 ASSI { 765} (( segid " " and resid 838 and name HD21)) (( segid " " and resid 835 and name HA )) 3.300 1.400 1.400 peak 765 spectrum 1 weight 0.10000E+01 volume 0.81768E-03 ppm1 7.606 ppm2 4.389 CV 1 ASSI { 766} (( segid " " and resid 838 and name HD21)) (( segid " " and resid 838 and name HD22)) 1.800 0.400 0.400 peak 766 spectrum 1 weight 0.10000E+01 volume 0.15990E-01 ppm1 7.606 ppm2 6.794 CV 1 ASSI { 770} (( segid " " and resid 838 and name HD22)) (( segid " " and resid 835 and name HA )) 4.100 2.100 1.900 peak 770 spectrum 1 weight 0.10000E+01 volume 0.68228E-03 ppm1 6.793 ppm2 4.389 CV 1 ASSI { 771} (( segid " " and resid 838 and name HD22)) (( segid " " and resid 838 and name HB2 )) 3.800 1.800 1.800 peak 771 spectrum 1 weight 0.10000E+01 volume 0.14813E-02 ppm1 6.793 ppm2 2.862 CV 1 ASSI { 772} (( segid " " and resid 838 and name HD22)) (( segid " " and resid 838 and name HB3 )) 4.000 2.000 2.000 peak 772 spectrum 1 weight 0.10000E+01 volume 0.12121E-02 ppm1 6.793 ppm2 2.712 CV 1 ASSI { 773} (( segid " " and resid 839 and name H )) (( segid " " and resid 840 and name HA )) 5.100 3.200 0.900 peak 773 spectrum 1 weight 0.10000E+01 volume 0.24040E-03 ppm1 7.799 ppm2 3.728 CV 1 ASSI { 775} (( segid " " and resid 839 and name H )) (( segid " " and resid 836 and name HA )) 3.100 1.200 1.200 peak 775 spectrum 1 weight 0.10000E+01 volume 0.14068E-02 ppm1 7.798 ppm2 4.251 CV 1 ASSI { 777} (( segid " " and resid 839 and name H )) ( segid " " and resid 837 and name HG2%) 5.300 3.500 0.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.23024E-03 ppm1 7.798 ppm2 0.995 CV 1 ASSI { 778} (( segid " " and resid 839 and name H )) ( segid " " and resid 837 and name HG1%) 4.800 2.900 1.200 peak 778 spectrum 1 weight 0.10000E+01 volume 0.26918E-03 ppm1 7.799 ppm2 0.850 CV 1 ASSI { 780} (( segid " " and resid 839 and name H )) ( segid " " and resid 840 and name HD1%) 5.000 3.100 1.000 peak 780 spectrum 1 weight 0.10000E+01 volume 0.29457E-03 ppm1 7.798 ppm2 0.319 CV 1 ASSI { 782} (( segid " " and resid 839 and name H )) ( segid " " and resid 842 and name HB% ) 4.300 2.300 1.700 peak 782 spectrum 1 weight 0.10000E+01 volume 0.46725E-03 ppm1 7.798 ppm2 1.455 CV 1 ASSI { 783} (( segid " " and resid 839 and name H )) (( segid " " and resid 840 and name HG13)) 4.400 2.400 1.600 peak 783 spectrum 1 weight 0.10000E+01 volume 0.50450E-03 ppm1 7.798 ppm2 1.379 CV 1 ASSI { 784} (( segid " " and resid 839 and name H )) (( segid " " and resid 837 and name HB )) 4.900 3.000 1.100 peak 784 spectrum 1 weight 0.10000E+01 volume 0.31658E-03 ppm1 7.798 ppm2 2.192 CV 1 ASSI { 785} (( segid " " and resid 839 and name H )) (( segid " " and resid 837 and name HA )) 4.100 2.100 1.900 peak 785 spectrum 1 weight 0.10000E+01 volume 0.36906E-03 ppm1 7.798 ppm2 3.275 CV 1 ASSI { 786} (( segid " " and resid 839 and name H )) (( segid " " and resid 838 and name HB2 )) 3.000 1.100 1.100 peak 786 spectrum 1 weight 0.10000E+01 volume 0.15473E-02 ppm1 7.798 ppm2 2.862 CV 1 ASSI { 787} (( segid " " and resid 839 and name H )) (( segid " " and resid 838 and name HB3 )) 3.500 1.500 1.500 peak 787 spectrum 1 weight 0.10000E+01 volume 0.12376E-02 ppm1 7.798 ppm2 2.712 CV 1 ASSI { 790} (( segid " " and resid 839 and name H )) (( segid " " and resid 840 and name H )) 2.600 0.900 0.900 peak 790 spectrum 1 weight 0.10000E+01 volume 0.29271E-02 ppm1 7.798 ppm2 8.561 CV 1 ASSI { 791} (( segid " " and resid 839 and name H )) (( segid " " and resid 841 and name H )) 3.800 1.800 1.800 peak 791 spectrum 1 weight 0.10000E+01 volume 0.54682E-03 ppm1 7.798 ppm2 8.501 CV 1 ASSI { 794} (( segid " " and resid 840 and name H )) (( segid " " and resid 843 and name H )) 4.500 2.500 1.500 peak 794 spectrum 1 weight 0.10000E+01 volume 0.19638E-03 ppm1 8.557 ppm2 8.239 CV 1 ASSI { 798} (( segid " " and resid 840 and name H )) ( segid " " and resid 798 and name HE% ) 4.500 2.600 1.500 peak 798 spectrum 1 weight 0.10000E+01 volume 0.26240E-03 ppm1 8.559 ppm2 6.536 CV 1 ASSI { 799} (( segid " " and resid 840 and name H )) (( segid " " and resid 838 and name HA )) 4.300 2.400 1.700 peak 799 spectrum 1 weight 0.10000E+01 volume 0.25056E-03 ppm1 8.559 ppm2 4.358 CV 1 ASSI { 800} (( segid " " and resid 840 and name H )) (( segid " " and resid 836 and name HA )) 3.900 1.900 1.900 peak 800 spectrum 1 weight 0.10000E+01 volume 0.37753E-03 ppm1 8.559 ppm2 4.251 CV 1 ASSI { 804} (( segid " " and resid 840 and name H )) (( segid " " and resid 841 and name HB2 )) 4.700 2.800 1.300 peak 804 spectrum 1 weight 0.10000E+01 volume 0.28950E-03 ppm1 8.557 ppm2 1.781 CV 1 ASSI { 805} (( segid " " and resid 840 and name H )) (( segid " " and resid 840 and name HB )) 2.500 0.800 0.800 peak 805 spectrum 1 weight 0.10000E+01 volume 0.32132E-02 ppm1 8.559 ppm2 1.602 CV 1 ASSI { 807} (( segid " " and resid 840 and name H )) ( segid " " and resid 860 and name HB% ) 4.500 2.500 1.500 peak 807 spectrum 1 weight 0.10000E+01 volume 0.59930E-03 ppm1 8.559 ppm2 1.459 CV 1 ASSI { 808} (( segid " " and resid 840 and name H )) (( segid " " and resid 840 and name HG13)) 2.500 0.800 0.800 peak 808 spectrum 1 weight 0.10000E+01 volume 0.20891E-02 ppm1 8.559 ppm2 1.377 CV 1 ASSI { 809} (( segid " " and resid 840 and name H )) (( segid " " and resid 836 and name HG )) 5.100 3.300 0.900 peak 809 spectrum 1 weight 0.10000E+01 volume 0.20315E-03 ppm1 8.560 ppm2 1.236 CV 1 ASSI { 810} (( segid " " and resid 840 and name H )) ( segid " " and resid 837 and name HG2%) 5.000 3.100 1.000 peak 810 spectrum 1 weight 0.10000E+01 volume 0.19638E-03 ppm1 8.559 ppm2 0.994 CV 1 ASSI { 811} (( segid " " and resid 840 and name H )) ( segid " " and resid 837 and name HG1%) 4.600 2.600 1.400 peak 811 spectrum 1 weight 0.10000E+01 volume 0.27426E-03 ppm1 8.560 ppm2 0.845 CV 1 ASSI { 817} (( segid " " and resid 867 and name H )) ( segid " " and resid 871 and name HG2%) 5.200 3.300 0.800 peak 817 spectrum 1 weight 0.10000E+01 volume 0.20485E-03 ppm1 8.472 ppm2 0.996 CV 1 ASSI { 818} (( segid " " and resid 841 and name H )) ( segid " " and resid 837 and name HG1%) 3.800 1.800 1.800 peak 818 spectrum 1 weight 0.10000E+01 volume 0.59930E-03 ppm1 8.498 ppm2 0.848 CV 1 ASSI { 821} (( segid " " and resid 867 and name H )) ( segid " " and resid 863 and name HD1%) 3.900 1.900 1.900 peak 821 spectrum 1 weight 0.10000E+01 volume 0.47910E-03 ppm1 8.471 ppm2 0.698 CV 1 ASSI { 823} (( segid " " and resid 841 and name H )) (( segid " " and resid 841 and name HB2 )) 2.400 0.700 0.700 peak 823 spectrum 1 weight 0.10000E+01 volume 0.43813E-02 ppm1 8.498 ppm2 1.781 CV 1 ASSI { 824} (( segid " " and resid 841 and name H )) (( segid " " and resid 840 and name HB )) 2.400 0.700 0.700 peak 824 spectrum 1 weight 0.10000E+01 volume 0.44389E-02 ppm1 8.498 ppm2 1.606 CV 1 ASSI { 825} (( segid " " and resid 867 and name H )) ( segid " " and resid 868 and name HB% ) 4.200 2.200 1.800 peak 825 spectrum 1 weight 0.10000E+01 volume 0.10361E-02 ppm1 8.471 ppm2 1.489 CV 1 ASSI { 826} (( segid " " and resid 841 and name H )) ( segid " " and resid 860 and name HB% ) 3.400 1.400 1.400 peak 826 spectrum 1 weight 0.10000E+01 volume 0.12697E-02 ppm1 8.498 ppm2 1.459 CV 1 ASSI { 829} (( segid " " and resid 841 and name H )) (( segid " " and resid 839 and name HA )) 4.200 2.200 1.800 peak 829 spectrum 1 weight 0.10000E+01 volume 0.30811E-03 ppm1 8.497 ppm2 4.166 CV 1 ASSI { 831} (( segid " " and resid 867 and name H )) (( segid " " and resid 866 and name HA )) 3.400 1.500 1.500 peak 831 spectrum 1 weight 0.10000E+01 volume 0.90912E-03 ppm1 8.472 ppm2 4.076 CV 1 ASSI { 832} (( segid " " and resid 867 and name H )) (( segid " " and resid 868 and name HA )) 5.000 3.100 1.000 peak 832 spectrum 1 weight 0.10000E+01 volume 0.33181E-03 ppm1 8.472 ppm2 4.008 CV 1 ASSI { 833} (( segid " " and resid 867 and name H )) (( segid " " and resid 864 and name HA )) 3.100 1.200 1.200 peak 833 spectrum 1 weight 0.10000E+01 volume 0.13594E-02 ppm1 8.471 ppm2 3.921 CV 1 ASSI { 834} (( segid " " and resid 867 and name H )) (( segid " " and resid 867 and name HA )) 2.800 1.000 1.000 peak 834 spectrum 1 weight 0.10000E+01 volume 0.21195E-02 ppm1 8.472 ppm2 3.720 CV 1 ASSI { 838} (( segid " " and resid 867 and name H )) (( segid " " and resid 867 and name HB )) 2.500 0.800 0.800 peak 838 spectrum 1 weight 0.10000E+01 volume 0.37515E-02 ppm1 8.472 ppm2 4.282 CV 1 ASSI { 840} (( segid " " and resid 841 and name H )) (( segid " " and resid 842 and name H )) 2.700 0.900 0.900 peak 840 spectrum 1 weight 0.10000E+01 volume 0.25394E-02 ppm1 8.498 ppm2 7.755 CV 1 ASSI { 841} (( segid " " and resid 867 and name H )) (( segid " " and resid 869 and name H )) 4.100 2.100 1.900 peak 841 spectrum 1 weight 0.10000E+01 volume 0.43339E-03 ppm1 8.471 ppm2 7.572 CV 1 ASSI { 843} (( segid " " and resid 841 and name H )) (( segid " " and resid 843 and name H )) 4.100 2.100 1.900 peak 843 spectrum 1 weight 0.10000E+01 volume 0.44524E-03 ppm1 8.498 ppm2 8.238 CV 1 ASSI { 844} (( segid " " and resid 841 and name H )) (( segid " " and resid 840 and name H )) 2.700 0.900 0.900 peak 844 spectrum 1 weight 0.10000E+01 volume 0.21060E-02 ppm1 8.498 ppm2 8.561 CV 1 ASSI { 845} (( segid " " and resid 867 and name H )) (( segid " " and resid 865 and name H )) 4.100 2.100 1.900 peak 845 spectrum 1 weight 0.10000E+01 volume 0.43339E-03 ppm1 8.472 ppm2 8.621 CV 1 ASSI { 846} (( segid " " and resid 841 and name H )) (( segid " " and resid 844 and name H )) 4.400 2.500 1.600 peak 846 spectrum 1 weight 0.10000E+01 volume 0.24378E-03 ppm1 8.498 ppm2 8.792 CV 1 ASSI { 847} (( segid " " and resid 842 and name H )) (( segid " " and resid 844 and name H )) 3.900 1.900 1.900 peak 847 spectrum 1 weight 0.10000E+01 volume 0.54512E-03 ppm1 7.753 ppm2 8.793 CV 1 ASSI { 848} (( segid " " and resid 842 and name H )) (( segid " " and resid 840 and name H )) 3.900 1.900 1.900 peak 848 spectrum 1 weight 0.10000E+01 volume 0.43678E-03 ppm1 7.753 ppm2 8.563 CV 1 ASSI { 850} (( segid " " and resid 842 and name H )) (( segid " " and resid 843 and name H )) 2.500 0.800 0.800 peak 850 spectrum 1 weight 0.10000E+01 volume 0.39666E-02 ppm1 7.753 ppm2 8.237 CV 1 ASSI { 851} (( segid " " and resid 842 and name H )) (( segid " " and resid 838 and name HA )) 3.500 1.500 1.500 peak 851 spectrum 1 weight 0.10000E+01 volume 0.79740E-03 ppm1 7.753 ppm2 4.359 CV 1 ASSI { 853} (( segid " " and resid 842 and name H )) (( segid " " and resid 841 and name HA )) 3.200 1.300 1.300 peak 853 spectrum 1 weight 0.10000E+01 volume 0.12545E-02 ppm1 7.753 ppm2 3.706 CV 1 ASSI { 854} (( segid " " and resid 842 and name H )) (( segid " " and resid 843 and name HB2 )) 5.000 3.100 1.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.30811E-03 ppm1 7.754 ppm2 3.016 CV 1 ASSI { 855} (( segid " " and resid 908 and name H )) (( segid " " and resid 907 and name HB2 )) 3.000 1.100 1.100 peak 855 spectrum 1 weight 0.10000E+01 volume 0.19892E-02 ppm1 7.785 ppm2 2.718 CV 1 OR { 855} (( segid " " and resid 908 and name H )) (( segid " " and resid 907 and name HB3 )) ASSI { 856} (( segid " " and resid 842 and name H )) (( segid " " and resid 843 and name HB3 )) 5.400 3.600 0.600 peak 856 spectrum 1 weight 0.10000E+01 volume 0.20146E-03 ppm1 7.754 ppm2 2.582 CV 1 ASSI { 857} (( segid " " and resid 842 and name H )) (( segid " " and resid 841 and name HB2 )) 2.700 0.900 0.900 peak 857 spectrum 1 weight 0.10000E+01 volume 0.31946E-02 ppm1 7.753 ppm2 1.781 CV 1 ASSI { 858} (( segid " " and resid 842 and name H )) ( segid " " and resid 842 and name HB% ) 2.300 0.600 0.600 peak 858 spectrum 1 weight 0.10000E+01 volume 0.93586E-02 ppm1 7.753 ppm2 1.453 CV 1 ASSI { 860} (( segid " " and resid 842 and name H )) (( segid " " and resid 841 and name HG3 )) 4.600 2.600 1.400 peak 860 spectrum 1 weight 0.10000E+01 volume 0.30981E-03 ppm1 7.753 ppm2 1.130 CV 1 ASSI { 861} (( segid " " and resid 843 and name H )) ( segid " " and resid 844 and name HB% ) 4.400 2.400 1.600 peak 861 spectrum 1 weight 0.10000E+01 volume 0.60776E-03 ppm1 8.234 ppm2 1.543 CV 1 ASSI { 862} (( segid " " and resid 843 and name H )) ( segid " " and resid 842 and name HB% ) 2.700 0.900 0.900 peak 862 spectrum 1 weight 0.10000E+01 volume 0.36178E-02 ppm1 8.234 ppm2 1.453 CV 1 ASSI { 863} (( segid " " and resid 843 and name H )) ( segid " " and resid 856 and name HD2%) 5.100 3.200 0.900 peak 863 spectrum 1 weight 0.10000E+01 volume 0.17606E-03 ppm1 8.235 ppm2 0.957 CV 1 ASSI { 864} (( segid " " and resid 843 and name H )) ( segid " " and resid 856 and name HD1%) 4.500 2.600 1.500 peak 864 spectrum 1 weight 0.10000E+01 volume 0.37584E-03 ppm1 8.235 ppm2 0.825 CV 1 ASSI { 865} (( segid " " and resid 843 and name H )) ( segid " " and resid 840 and name HG2%) 4.100 2.100 1.900 peak 865 spectrum 1 weight 0.10000E+01 volume 0.42662E-03 ppm1 8.234 ppm2 0.785 CV 1 ASSI { 866} (( segid " " and resid 843 and name H )) (( segid " " and resid 841 and name HB2 )) 4.700 2.800 1.300 peak 866 spectrum 1 weight 0.10000E+01 volume 0.31150E-03 ppm1 8.234 ppm2 1.783 CV 1 ASSI { 867} (( segid " " and resid 843 and name H )) (( segid " " and resid 843 and name HB3 )) 3.000 1.100 1.100 peak 867 spectrum 1 weight 0.10000E+01 volume 0.19080E-02 ppm1 8.234 ppm2 2.580 CV 1 ASSI { 868} (( segid " " and resid 843 and name H )) (( segid " " and resid 843 and name HB2 )) 2.700 0.900 0.900 peak 868 spectrum 1 weight 0.10000E+01 volume 0.24751E-02 ppm1 8.234 ppm2 3.014 CV 1 ASSI { 869} (( segid " " and resid 843 and name H )) (( segid " " and resid 840 and name HA )) 3.100 1.200 1.200 peak 869 spectrum 1 weight 0.10000E+01 volume 0.13374E-02 ppm1 8.234 ppm2 3.727 CV 1 ASSI { 874} (( segid " " and resid 843 and name H )) (( segid " " and resid 844 and name H )) 2.700 0.900 0.900 peak 874 spectrum 1 weight 0.10000E+01 volume 0.27612E-02 ppm1 8.234 ppm2 8.792 CV 1 ASSI { 878} (( segid " " and resid 844 and name H )) (( segid " " and resid 845 and name H )) 2.700 0.900 0.900 peak 878 spectrum 1 weight 0.10000E+01 volume 0.23667E-02 ppm1 8.790 ppm2 7.859 CV 1 ASSI { 880} (( segid " " and resid 844 and name H )) (( segid " " and resid 846 and name H )) 4.300 2.300 1.700 peak 880 spectrum 1 weight 0.10000E+01 volume 0.33351E-03 ppm1 8.790 ppm2 7.527 CV 1 ASSI { 882} (( segid " " and resid 844 and name H )) (( segid " " and resid 842 and name HA )) 4.000 2.000 2.000 peak 882 spectrum 1 weight 0.10000E+01 volume 0.36567E-03 ppm1 8.790 ppm2 4.126 CV 1 ASSI { 886} (( segid " " and resid 844 and name H )) (( segid " " and resid 843 and name HB2 )) 3.700 1.700 1.700 peak 886 spectrum 1 weight 0.10000E+01 volume 0.11817E-02 ppm1 8.790 ppm2 3.014 CV 1 ASSI { 887} (( segid " " and resid 844 and name H )) (( segid " " and resid 843 and name HB3 )) 3.200 1.300 1.300 peak 887 spectrum 1 weight 0.10000E+01 volume 0.99885E-03 ppm1 8.790 ppm2 2.580 CV 1 ASSI { 889} (( segid " " and resid 844 and name H )) (( segid " " and resid 856 and name HB2 )) 4.700 2.800 1.300 peak 889 spectrum 1 weight 0.10000E+01 volume 0.29627E-03 ppm1 8.791 ppm2 1.994 CV 1 ASSI { 891} (( segid " " and resid 844 and name H )) ( segid " " and resid 842 and name HB% ) 3.200 1.300 1.300 peak 891 spectrum 1 weight 0.10000E+01 volume 0.52820E-03 ppm1 8.790 ppm2 1.455 CV 1 ASSI { 892} (( segid " " and resid 844 and name H )) (( segid " " and resid 856 and name HB3 )) 4.200 2.300 1.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.30473E-03 ppm1 8.790 ppm2 1.388 CV 1 ASSI { 894} (( segid " " and resid 844 and name H )) ( segid " " and resid 856 and name HD2%) 4.700 2.800 1.300 peak 894 spectrum 1 weight 0.10000E+01 volume 0.30134E-03 ppm1 8.791 ppm2 0.957 CV 1 ASSI { 897} (( segid " " and resid 845 and name H )) ( segid " " and resid 857 and name HD2%) 3.200 1.300 1.300 peak 897 spectrum 1 weight 0.10000E+01 volume 0.58406E-03 ppm1 7.858 ppm2 0.793 CV 1 OR { 897} (( segid " " and resid 845 and name H )) ( segid " " and resid 857 and name HD1%) ASSI { 899} (( segid " " and resid 845 and name H )) ( segid " " and resid 842 and name HB% ) 3.300 1.300 1.300 peak 899 spectrum 1 weight 0.10000E+01 volume 0.49434E-03 ppm1 7.857 ppm2 1.455 CV 1 ASSI { 902} (( segid " " and resid 845 and name H )) (( segid " " and resid 845 and name HB2 )) 2.400 0.700 0.700 peak 902 spectrum 1 weight 0.10000E+01 volume 0.46454E-02 ppm1 7.858 ppm2 2.079 CV 1 ASSI { 903} (( segid " " and resid 845 and name H )) (( segid " " and resid 843 and name HA )) 3.900 1.900 1.900 peak 903 spectrum 1 weight 0.10000E+01 volume 0.49095E-03 ppm1 7.857 ppm2 4.391 CV 1 ASSI { 904} (( segid " " and resid 872 and name H )) (( segid " " and resid 870 and name HA )) 4.200 2.200 1.800 peak 904 spectrum 1 weight 0.10000E+01 volume 0.32843E-03 ppm1 7.782 ppm2 4.180 CV 1 ASSI { 905} (( segid " " and resid 845 and name H )) (( segid " " and resid 842 and name HA )) 3.000 1.100 1.100 peak 905 spectrum 1 weight 0.10000E+01 volume 0.16405E-02 ppm1 7.858 ppm2 4.126 CV 1 ASSI { 906} (( segid " " and resid 872 and name H )) (( segid " " and resid 873 and name HA )) 4.900 3.000 1.100 peak 906 spectrum 1 weight 0.10000E+01 volume 0.30473E-03 ppm1 7.783 ppm2 4.106 CV 1 ASSI { 908} (( segid " " and resid 872 and name H )) (( segid " " and resid 869 and name HA )) 3.100 1.200 1.200 peak 908 spectrum 1 weight 0.10000E+01 volume 0.15829E-02 ppm1 7.783 ppm2 4.019 CV 1 ASSI { 910} (( segid " " and resid 845 and name H )) (( segid " " and resid 844 and name HA )) 3.300 1.300 1.300 peak 910 spectrum 1 weight 0.10000E+01 volume 0.10530E-02 ppm1 7.858 ppm2 3.903 CV 1 ASSI { 911} (( segid " " and resid 845 and name H )) (( segid " " and resid 841 and name HA )) 3.400 1.500 1.500 peak 911 spectrum 1 weight 0.10000E+01 volume 0.98698E-03 ppm1 7.857 ppm2 3.707 CV 1 ASSI { 912} (( segid " " and resid 845 and name H )) (( segid " " and resid 846 and name H )) 2.600 0.800 0.800 peak 912 spectrum 1 weight 0.10000E+01 volume 0.33740E-02 ppm1 7.857 ppm2 7.526 CV 1 ASSI { 913} (( segid " " and resid 845 and name H )) (( segid " " and resid 847 and name H )) 4.200 2.200 1.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.49942E-03 ppm1 7.858 ppm2 7.149 CV 1 ASSI { 919} (( segid " " and resid 846 and name H )) (( segid " " and resid 847 and name HA )) 5.000 3.200 1.000 peak 919 spectrum 1 weight 0.10000E+01 volume 0.24717E-03 ppm1 7.525 ppm2 4.263 CV 1 ASSI { 922} (( segid " " and resid 846 and name H )) (( segid " " and resid 844 and name HA )) 4.000 2.000 2.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.35044E-03 ppm1 7.524 ppm2 3.903 CV 1 ASSI { 929} (( segid " " and resid 847 and name H )) (( segid " " and resid 847 and name HG3 )) 3.900 1.900 1.900 peak 929 spectrum 1 weight 0.10000E+01 volume 0.12121E-02 ppm1 7.148 ppm2 2.243 CV 1 ASSI { 932} (( segid " " and resid 847 and name H )) ( segid " " and resid 844 and name HB% ) 4.500 2.500 1.500 peak 932 spectrum 1 weight 0.10000E+01 volume 0.36906E-03 ppm1 7.148 ppm2 1.538 CV 1 ASSI { 933} (( segid " " and resid 847 and name H )) (( segid " " and resid 843 and name HA )) 4.600 2.700 1.400 peak 933 spectrum 1 weight 0.10000E+01 volume 0.22855E-03 ppm1 7.149 ppm2 4.391 CV 1 ASSI { 936} (( segid " " and resid 847 and name H )) (( segid " " and resid 845 and name HA )) 3.300 1.400 1.400 peak 936 spectrum 1 weight 0.10000E+01 volume 0.10513E-02 ppm1 7.147 ppm2 4.018 CV 1 ASSI { 937} (( segid " " and resid 847 and name H )) (( segid " " and resid 844 and name HA )) 3.200 1.300 1.300 peak 937 spectrum 1 weight 0.10000E+01 volume 0.11512E-02 ppm1 7.148 ppm2 3.904 CV 1 ASSI { 938} (( segid " " and resid 847 and name H )) (( segid " " and resid 846 and name HA3 )) 3.400 1.400 1.400 peak 938 spectrum 1 weight 0.10000E+01 volume 0.12443E-02 ppm1 7.148 ppm2 3.712 CV 1 ASSI { 940} (( segid " " and resid 847 and name H )) (( segid " " and resid 846 and name H )) 2.600 0.800 0.800 peak 940 spectrum 1 weight 0.10000E+01 volume 0.32725E-02 ppm1 7.148 ppm2 7.526 CV 1 ASSI { 943} (( segid " " and resid 847 and name H )) (( segid " " and resid 849 and name H )) 5.600 3.900 0.400 peak 943 spectrum 1 weight 0.10000E+01 volume 0.22177E-03 ppm1 7.151 ppm2 8.630 CV 1 ASSI { 944} (( segid " " and resid 847 and name H )) (( segid " " and resid 848 and name H )) 4.500 2.500 1.500 peak 944 spectrum 1 weight 0.10000E+01 volume 0.58913E-03 ppm1 7.148 ppm2 8.374 CV 1 ASSI { 948} (( segid " " and resid 848 and name H )) (( segid " " and resid 849 and name HB3 )) 5.900 4.300 0.100 peak 948 spectrum 1 weight 0.10000E+01 volume 0.20654E-03 ppm1 8.372 ppm2 2.887 CV 1 ASSI { 949} (( segid " " and resid 848 and name H )) (( segid " " and resid 849 and name HB2 )) 5.200 3.400 0.800 peak 949 spectrum 1 weight 0.10000E+01 volume 0.19807E-03 ppm1 8.370 ppm2 2.494 CV 1 ASSI { 951} (( segid " " and resid 848 and name H )) (( segid " " and resid 847 and name HG2 )) 5.000 3.200 1.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.35890E-03 ppm1 8.370 ppm2 2.207 CV 1 ASSI { 953} (( segid " " and resid 848 and name H )) (( segid " " and resid 847 and name HB3 )) 4.200 2.200 1.800 peak 953 spectrum 1 weight 0.10000E+01 volume 0.54005E-03 ppm1 8.371 ppm2 2.001 CV 1 ASSI { 954} (( segid " " and resid 849 and name H )) ( segid " " and resid 850 and name HD1%) 5.000 3.100 1.000 peak 954 spectrum 1 weight 0.10000E+01 volume 0.22347E-03 ppm1 8.626 ppm2 0.833 CV 1 ASSI { 955} (( segid " " and resid 849 and name H )) (( segid " " and resid 849 and name HB3 )) 3.200 1.300 1.300 peak 955 spectrum 1 weight 0.10000E+01 volume 0.30778E-02 ppm1 8.627 ppm2 2.889 CV 1 ASSI { 956} (( segid " " and resid 849 and name H )) (( segid " " and resid 852 and name HB3 )) 4.600 2.600 1.400 peak 956 spectrum 1 weight 0.10000E+01 volume 0.37244E-03 ppm1 8.627 ppm2 2.638 CV 1 ASSI { 959} (( segid " " and resid 849 and name H )) (( segid " " and resid 847 and name HB2 )) 4.500 2.500 1.500 peak 959 spectrum 1 weight 0.10000E+01 volume 0.11258E-02 ppm1 8.627 ppm2 2.090 CV 1 ASSI { 961} (( segid " " and resid 849 and name H )) (( segid " " and resid 853 and name HA )) 5.400 3.700 0.600 peak 961 spectrum 1 weight 0.10000E+01 volume 0.31489E-03 ppm1 8.627 ppm2 4.031 CV 1 ASSI { 965} (( segid " " and resid 849 and name H )) (( segid " " and resid 852 and name HD21)) 4.600 2.600 1.400 peak 965 spectrum 1 weight 0.10000E+01 volume 0.29627E-03 ppm1 8.626 ppm2 7.971 CV 1 ASSI { 966} (( segid " " and resid 849 and name H )) (( segid " " and resid 848 and name H )) 2.700 0.900 0.900 peak 966 spectrum 1 weight 0.10000E+01 volume 0.25022E-02 ppm1 8.626 ppm2 8.373 CV 1 ASSI { 968} (( segid " " and resid 850 and name H )) (( segid " " and resid 849 and name HA )) 3.400 1.500 1.500 peak 968 spectrum 1 weight 0.10000E+01 volume 0.67211E-03 ppm1 8.597 ppm2 4.677 CV 1 ASSI { 970} (( segid " " and resid 850 and name H )) (( segid " " and resid 849 and name HB3 )) 3.500 1.600 1.600 peak 970 spectrum 1 weight 0.10000E+01 volume 0.44017E-03 ppm1 8.597 ppm2 2.891 CV 1 ASSI { 971} (( segid " " and resid 850 and name H )) (( segid " " and resid 849 and name HB2 )) 4.200 2.200 1.800 peak 971 spectrum 1 weight 0.10000E+01 volume 0.62980E-03 ppm1 8.597 ppm2 2.492 CV 1 ASSI { 975} (( segid " " and resid 850 and name H )) ( segid " " and resid 850 and name HD2%) 4.500 2.500 1.500 peak 975 spectrum 1 weight 0.10000E+01 volume 0.58406E-03 ppm1 8.597 ppm2 0.899 CV 1 ASSI { 980} (( segid " " and resid 851 and name H )) (( segid " " and resid 850 and name HG )) 5.000 3.100 1.000 peak 980 spectrum 1 weight 0.10000E+01 volume 0.45878E-03 ppm1 8.230 ppm2 1.627 CV 1 ASSI { 982} (( segid " " and resid 851 and name H )) (( segid " " and resid 851 and name HG3 )) 3.000 1.100 1.100 peak 982 spectrum 1 weight 0.10000E+01 volume 0.17116E-02 ppm1 8.230 ppm2 2.228 CV 1 ASSI { 983} (( segid " " and resid 851 and name H )) (( segid " " and resid 851 and name HB3 )) 2.800 1.000 1.000 peak 983 spectrum 1 weight 0.10000E+01 volume 0.42290E-02 ppm1 8.230 ppm2 2.063 CV 1 ASSI { 985} (( segid " " and resid 851 and name H )) (( segid " " and resid 849 and name HB3 )) 4.300 2.400 1.700 peak 985 spectrum 1 weight 0.10000E+01 volume 0.22855E-03 ppm1 8.230 ppm2 2.889 CV 1 ASSI { 986} (( segid " " and resid 851 and name H )) (( segid " " and resid 852 and name HB2 )) 4.800 2.900 1.200 peak 986 spectrum 1 weight 0.10000E+01 volume 0.37244E-03 ppm1 8.230 ppm2 2.829 CV 1 ASSI { 987} (( segid " " and resid 851 and name H )) (( segid " " and resid 852 and name HB3 )) 5.100 3.300 0.900 peak 987 spectrum 1 weight 0.10000E+01 volume 0.24378E-03 ppm1 8.229 ppm2 2.640 CV 1 ASSI { 988} (( segid " " and resid 851 and name H )) (( segid " " and resid 849 and name HB2 )) 5.300 3.500 0.700 peak 988 spectrum 1 weight 0.10000E+01 volume 0.22686E-03 ppm1 8.230 ppm2 2.492 CV 1 ASSI { 990} (( segid " " and resid 851 and name H )) (( segid " " and resid 850 and name H )) 2.700 0.900 0.900 peak 990 spectrum 1 weight 0.10000E+01 volume 0.24006E-02 ppm1 8.230 ppm2 8.600 CV 1 ASSI { 991} (( segid " " and resid 851 and name H )) (( segid " " and resid 853 and name H )) 3.800 1.800 1.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.63826E-03 ppm1 8.230 ppm2 8.379 CV 1 ASSI { 992} (( segid " " and resid 852 and name H )) (( segid " " and resid 853 and name H )) 2.600 0.800 0.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.31032E-02 ppm1 8.270 ppm2 8.378 CV 1 ASSI { 994} (( segid " " and resid 860 and name H )) (( segid " " and resid 862 and name H )) 4.000 2.000 2.000 peak 994 spectrum 1 weight 0.10000E+01 volume 0.48249E-03 ppm1 8.255 ppm2 7.995 CV 1 ASSI { 995} (( segid " " and resid 852 and name H )) (( segid " " and resid 852 and name HD21)) 4.700 2.700 1.300 peak 995 spectrum 1 weight 0.10000E+01 volume 0.56544E-03 ppm1 8.270 ppm2 7.972 CV 1 ASSI { 998} (( segid " " and resid 860 and name H )) (( segid " " and resid 859 and name H )) 2.600 0.800 0.800 peak 998 spectrum 1 weight 0.10000E+01 volume 0.32877E-02 ppm1 8.254 ppm2 7.783 CV 1 ASSI { 999} (( segid " " and resid 860 and name H )) (( segid " " and resid 861 and name H )) 2.600 0.900 0.900 peak 999 spectrum 1 weight 0.10000E+01 volume 0.30084E-02 ppm1 8.255 ppm2 7.706 CV 1 ASSI { 1000} (( segid " " and resid 860 and name H )) (( segid " " and resid 858 and name HA )) 4.000 2.000 2.000 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.39107E-03 ppm1 8.255 ppm2 4.199 CV 1 ASSI { 1001} (( segid " " and resid 852 and name H )) (( segid " " and resid 851 and name HA )) 3.200 1.300 1.300 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.13036E-02 ppm1 8.270 ppm2 4.081 CV 1 ASSI { 1002} (( segid " " and resid 860 and name H )) (( segid " " and resid 859 and name HA )) 3.300 1.400 1.400 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.11394E-02 ppm1 8.256 ppm2 4.048 CV 1 ASSI { 1003} (( segid " " and resid 860 and name H )) (( segid " " and resid 856 and name HA )) 3.500 1.500 1.500 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.86169E-03 ppm1 8.255 ppm2 3.958 CV 1 ASSI { 1006} (( segid " " and resid 852 and name H )) (( segid " " and resid 849 and name HB3 )) 3.100 1.200 1.200 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.92263E-03 ppm1 8.271 ppm2 2.889 CV 1 ASSI { 1007} (( segid " " and resid 852 and name H )) (( segid " " and resid 852 and name HB2 )) 2.600 0.800 0.800 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.35112E-02 ppm1 8.271 ppm2 2.829 CV 1 ASSI { 1010} (( segid " " and resid 852 and name H )) (( segid " " and resid 851 and name HG3 )) 3.800 1.800 1.800 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.61623E-03 ppm1 8.270 ppm2 2.231 CV 1 ASSI { 1011} (( segid " " and resid 852 and name H )) (( segid " " and resid 851 and name HB3 )) 3.400 1.500 1.500 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.15321E-02 ppm1 8.270 ppm2 2.063 CV 1 ASSI { 1012} (( segid " " and resid 852 and name H )) (( segid " " and resid 851 and name HB2 )) 2.800 1.000 1.000 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.18064E-02 ppm1 8.270 ppm2 1.997 CV 1 ASSI { 1014} (( segid " " and resid 860 and name H )) (( segid " " and resid 861 and name HB2 )) 4.800 2.900 1.200 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.39615E-03 ppm1 8.255 ppm2 1.888 CV 1 ASSI { 1016} (( segid " " and resid 860 and name H )) (( segid " " and resid 840 and name HB )) 4.400 2.500 1.600 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.46556E-03 ppm1 8.256 ppm2 1.616 CV 1 ASSI { 1018} (( segid " " and resid 860 and name H )) ( segid " " and resid 837 and name HG1%) 5.200 3.300 0.800 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.32335E-03 ppm1 8.257 ppm2 0.845 CV 1 ASSI { 1025} (( segid " " and resid 852 and name HD22)) (( segid " " and resid 849 and name HB2 )) 5.500 3.700 0.500 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.29627E-03 ppm1 7.055 ppm2 2.491 CV 1 ASSI { 1026} (( segid " " and resid 852 and name HD22)) (( segid " " and resid 853 and name HA )) 4.100 2.100 1.900 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.61623E-03 ppm1 7.056 ppm2 4.030 CV 1 ASSI { 1028} (( segid " " and resid 852 and name HD22)) (( segid " " and resid 852 and name HD21)) 1.700 0.400 0.500 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.20535E-01 ppm1 7.056 ppm2 7.971 CV 1 ASSI { 1030} (( segid " " and resid 852 and name HD21)) (( segid " " and resid 853 and name HA )) 4.000 2.000 2.000 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.42831E-03 ppm1 7.969 ppm2 4.030 CV 1 ASSI { 1031} (( segid " " and resid 852 and name HD21)) (( segid " " and resid 852 and name HA )) 4.500 2.500 1.500 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.38599E-03 ppm1 7.970 ppm2 4.502 CV 1 ASSI { 1033} (( segid " " and resid 852 and name HD21)) (( segid " " and resid 852 and name HB2 )) 3.400 1.500 1.500 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.14881E-02 ppm1 7.969 ppm2 2.829 CV 1 ASSI { 1037} (( segid " " and resid 853 and name H )) ( segid " " and resid 844 and name HB% ) 4.500 2.600 1.500 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.37584E-03 ppm1 8.375 ppm2 1.549 CV 1 ASSI { 1038} (( segid " " and resid 853 and name H )) (( segid " " and resid 847 and name HG2 )) 3.300 1.400 1.400 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.75844E-03 ppm1 8.376 ppm2 2.207 CV 1 ASSI { 1039} (( segid " " and resid 853 and name H )) (( segid " " and resid 847 and name HB2 )) 4.500 2.600 1.500 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.48588E-03 ppm1 8.376 ppm2 2.084 CV 1 ASSI { 1040} (( segid " " and resid 853 and name H )) (( segid " " and resid 847 and name HB3 )) 3.800 1.800 1.800 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.66024E-03 ppm1 8.376 ppm2 1.997 CV 1 ASSI { 1041} (( segid " " and resid 853 and name H )) (( segid " " and resid 854 and name HB2 )) 4.500 2.500 1.500 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.42493E-03 ppm1 8.376 ppm2 1.930 CV 1 ASSI { 1042} (( segid " " and resid 853 and name H )) (( segid " " and resid 854 and name HG3 )) 4.500 2.500 1.500 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.31150E-03 ppm1 8.376 ppm2 1.792 CV 1 ASSI { 1043} (( segid " " and resid 853 and name H )) (( segid " " and resid 850 and name HB2 )) 3.600 1.600 1.600 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.26071E-03 ppm1 8.376 ppm2 1.699 CV 1 ASSI { 1047} (( segid " " and resid 853 and name H )) (( segid " " and resid 853 and name HA )) 2.400 0.700 0.700 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.55342E-02 ppm1 8.376 ppm2 4.027 CV 1 ASSI { 1048} (( segid " " and resid 853 and name H )) (( segid " " and resid 853 and name HB3 )) 2.700 0.900 0.900 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.29356E-02 ppm1 8.376 ppm2 3.928 CV 1 OR { 1048} (( segid " " and resid 853 and name H )) (( segid " " and resid 853 and name HB2 )) ASSI { 1051} (( segid " " and resid 853 and name H )) (( segid " " and resid 854 and name H )) 2.600 0.900 0.900 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.28780E-02 ppm1 8.376 ppm2 8.045 CV 1 ASSI { 1052} (( segid " " and resid 853 and name H )) (( segid " " and resid 852 and name HD21)) 4.300 2.300 1.700 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.41816E-03 ppm1 8.376 ppm2 7.972 CV 1 ASSI { 1053} (( segid " " and resid 853 and name H )) (( segid " " and resid 855 and name H )) 4.100 2.100 1.900 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.42831E-03 ppm1 8.377 ppm2 7.900 CV 1 ASSI { 1054} (( segid " " and resid 889 and name H )) (( segid " " and resid 892 and name H )) 4.300 2.400 1.700 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.29119E-03 ppm1 8.023 ppm2 8.439 CV 1 ASSI { 1056} (( segid " " and resid 854 and name H )) (( segid " " and resid 852 and name H )) 3.800 1.800 1.800 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.70426E-03 ppm1 8.043 ppm2 8.269 CV 1 ASSI { 1057} (( segid " " and resid 854 and name H )) (( segid " " and resid 855 and name H )) 2.600 0.900 0.900 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.27205E-02 ppm1 8.044 ppm2 7.899 CV 1 ASSI { 1060} (( segid " " and resid 854 and name H )) (( segid " " and resid 853 and name HA )) 2.700 0.900 0.900 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.30422E-02 ppm1 8.043 ppm2 4.026 CV 1 ASSI { 1063} (( segid " " and resid 854 and name H )) (( segid " " and resid 854 and name HB2 )) 2.400 0.700 0.700 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.39835E-02 ppm1 8.044 ppm2 1.927 CV 1 ASSI { 1065} (( segid " " and resid 854 and name H )) (( segid " " and resid 854 and name HG2 )) 3.900 1.900 1.900 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.10716E-02 ppm1 8.044 ppm2 1.570 CV 1 ASSI { 1066} (( segid " " and resid 854 and name H )) ( segid " " and resid 850 and name HD2%) 3.700 1.700 1.700 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.24040E-03 ppm1 8.044 ppm2 0.898 CV 1 ASSI { 1067} (( segid " " and resid 854 and name H )) ( segid " " and resid 857 and name HD1%) 4.300 2.300 1.700 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.43847E-03 ppm1 8.044 ppm2 0.798 CV 1 ASSI { 1068} (( segid " " and resid 854 and name HE )) (( segid " " and resid 854 and name HB2 )) 4.700 2.800 1.300 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.29627E-03 ppm1 7.512 ppm2 1.937 CV 1 ASSI { 1071} (( segid " " and resid 903 and name H )) (( segid " " and resid 901 and name H )) 3.800 1.800 1.800 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.54512E-03 ppm1 7.896 ppm2 8.439 CV 1 ASSI { 1072} (( segid " " and resid 903 and name H )) (( segid " " and resid 904 and name H )) 2.600 0.900 0.900 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.33842E-02 ppm1 7.896 ppm2 7.724 CV 1 ASSI { 1073} (( segid " " and resid 903 and name H )) (( segid " " and resid 899 and name HA )) 3.600 1.600 1.600 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.68733E-03 ppm1 7.895 ppm2 4.160 CV 1 ASSI { 1075} (( segid " " and resid 903 and name H )) (( segid " " and resid 901 and name HA )) 3.900 1.900 1.900 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.40123E-03 ppm1 7.896 ppm2 3.698 CV 1 ASSI { 1081} (( segid " " and resid 855 and name H )) ( segid " " and resid 857 and name HD1%) 4.700 2.700 1.300 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.31320E-03 ppm1 7.897 ppm2 0.805 CV 1 ASSI { 1083} (( segid " " and resid 856 and name H )) ( segid " " and resid 856 and name HD1%) 3.800 1.800 1.800 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.14492E-02 ppm1 7.968 ppm2 0.825 CV 1 ASSI { 1084} (( segid " " and resid 856 and name H )) (( segid " " and resid 856 and name HB2 )) 2.400 0.700 0.700 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.34705E-02 ppm1 7.968 ppm2 1.981 CV 1 ASSI { 1085} (( segid " " and resid 856 and name H )) (( segid " " and resid 856 and name HG )) 2.500 0.800 0.800 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.35095E-02 ppm1 7.968 ppm2 1.794 CV 1 ASSI { 1086} (( segid " " and resid 856 and name H )) (( segid " " and resid 855 and name HG2 )) 4.500 2.500 1.500 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.26410E-03 ppm1 7.969 ppm2 1.636 CV 1 ASSI { 1088} (( segid " " and resid 856 and name H )) ( segid " " and resid 859 and name HB% ) 4.300 2.300 1.700 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.41646E-03 ppm1 7.968 ppm2 1.450 CV 1 ASSI { 1089} (( segid " " and resid 856 and name H )) (( segid " " and resid 856 and name HB3 )) 3.600 1.600 1.600 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.19435E-02 ppm1 7.968 ppm2 1.390 CV 1 ASSI { 1091} (( segid " " and resid 856 and name H )) (( segid " " and resid 852 and name HA )) 3.900 1.900 1.900 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.49434E-03 ppm1 7.968 ppm2 4.503 CV 1 ASSI { 1092} (( segid " " and resid 856 and name H )) (( segid " " and resid 855 and name H )) 2.700 0.900 0.900 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.22550E-02 ppm1 7.968 ppm2 7.901 CV 1 ASSI { 1093} (( segid " " and resid 856 and name H )) (( segid " " and resid 857 and name H )) 2.700 0.900 0.900 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.25631E-02 ppm1 7.969 ppm2 8.264 CV 1 ASSI { 1096} (( segid " " and resid 857 and name H )) (( segid " " and resid 859 and name H )) 4.200 2.200 1.800 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.32674E-03 ppm1 8.262 ppm2 7.782 CV 1 ASSI { 1097} (( segid " " and resid 857 and name H )) (( segid " " and resid 858 and name HA )) 5.000 3.100 1.000 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.25225E-03 ppm1 8.264 ppm2 4.200 CV 1 ASSI { 1099} (( segid " " and resid 857 and name H )) (( segid " " and resid 856 and name HB2 )) 2.700 0.900 0.900 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.15728E-02 ppm1 8.263 ppm2 1.986 CV 1 ASSI { 1106} (( segid " " and resid 857 and name H )) ( segid " " and resid 857 and name HD2%) 3.400 1.400 1.400 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.28695E-02 ppm1 8.263 ppm2 0.794 CV 1 OR { 1106} (( segid " " and resid 857 and name H )) ( segid " " and resid 857 and name HD1%) ASSI { 1108} (( segid " " and resid 858 and name H )) ( segid " " and resid 844 and name HB% ) 3.700 1.700 1.700 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.22686E-03 ppm1 8.232 ppm2 1.549 CV 1 ASSI { 1109} (( segid " " and resid 858 and name H )) ( segid " " and resid 859 and name HB% ) 4.100 2.100 1.900 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.10344E-02 ppm1 8.233 ppm2 1.458 CV 1 ASSI { 1110} (( segid " " and resid 858 and name H )) (( segid " " and resid 857 and name HB3 )) 3.600 1.600 1.600 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.14001E-02 ppm1 8.233 ppm2 1.386 CV 1 ASSI { 1111} (( segid " " and resid 858 and name H )) (( segid " " and resid 857 and name HG )) 4.400 2.400 1.600 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.54851E-03 ppm1 8.233 ppm2 1.710 CV 1 ASSI { 1112} (( segid " " and resid 858 and name H )) (( segid " " and resid 856 and name HB2 )) 4.300 2.300 1.700 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.47571E-03 ppm1 8.233 ppm2 1.986 CV 1 ASSI { 1114} (( segid " " and resid 858 and name H )) (( segid " " and resid 857 and name HB2 )) 2.800 1.000 1.000 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.17928E-02 ppm1 8.233 ppm2 1.799 CV 1 ASSI { 1116} (( segid " " and resid 858 and name H )) (( segid " " and resid 859 and name HA )) 4.800 2.900 1.200 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.34705E-03 ppm1 8.234 ppm2 4.047 CV 1 ASSI { 1118} (( segid " " and resid 858 and name H )) (( segid " " and resid 856 and name H )) 3.800 1.800 1.800 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.51127E-03 ppm1 8.233 ppm2 7.971 CV 1 ASSI { 1119} (( segid " " and resid 858 and name H )) (( segid " " and resid 855 and name H )) 4.400 2.400 1.600 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.22686E-03 ppm1 8.231 ppm2 7.898 CV 1 ASSI { 1121} (( segid " " and resid 858 and name H )) (( segid " " and resid 861 and name H )) 4.500 2.600 1.500 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.24378E-03 ppm1 8.234 ppm2 7.709 CV 1 ASSI { 1122} (( segid " " and resid 859 and name H )) (( segid " " and resid 858 and name H )) 2.400 0.700 0.700 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.61182E-02 ppm1 7.781 ppm2 8.247 CV 1 ASSI { 1126} (( segid " " and resid 859 and name H )) (( segid " " and resid 857 and name HA )) 3.900 1.900 1.900 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.41816E-03 ppm1 7.782 ppm2 3.868 CV 1 ASSI { 1131} (( segid " " and resid 861 and name H )) (( segid " " and resid 862 and name H )) 2.600 0.900 0.900 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.27781E-02 ppm1 7.705 ppm2 7.996 CV 1 ASSI { 1132} (( segid " " and resid 861 and name H )) (( segid " " and resid 859 and name H )) 4.300 2.300 1.700 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.43678E-03 ppm1 7.705 ppm2 7.778 CV 1 ASSI { 1134} (( segid " " and resid 861 and name H )) (( segid " " and resid 859 and name HA )) 4.300 2.300 1.700 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.31658E-03 ppm1 7.705 ppm2 4.050 CV 1 ASSI { 1137} (( segid " " and resid 861 and name H )) (( segid " " and resid 861 and name HB3 )) 2.600 0.800 0.800 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.37414E-02 ppm1 7.705 ppm2 1.994 CV 1 ASSI { 1138} (( segid " " and resid 861 and name H )) (( segid " " and resid 861 and name HB2 )) 2.500 0.800 0.800 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.40478E-02 ppm1 7.704 ppm2 1.893 CV 1 ASSI { 1139} (( segid " " and resid 861 and name H )) (( segid " " and resid 862 and name HG13)) 4.500 2.600 1.500 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.41308E-03 ppm1 7.705 ppm2 1.629 CV 1 ASSI { 1140} (( segid " " and resid 861 and name H )) (( segid " " and resid 861 and name HD3 )) 5.100 3.200 0.900 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.27256E-03 ppm1 7.704 ppm2 1.571 CV 1 ASSI { 1141} (( segid " " and resid 861 and name H )) ( segid " " and resid 860 and name HB% ) 2.600 0.900 0.900 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.35247E-02 ppm1 7.704 ppm2 1.462 CV 1 ASSI { 1142} (( segid " " and resid 861 and name H )) (( segid " " and resid 861 and name HG3 )) 4.500 2.500 1.500 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.61282E-03 ppm1 7.704 ppm2 1.346 CV 1 ASSI { 1150} (( segid " " and resid 862 and name H )) (( segid " " and resid 861 and name HB3 )) 2.700 0.900 0.900 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.17928E-02 ppm1 7.995 ppm2 1.994 CV 1 ASSI { 1151} (( segid " " and resid 862 and name H )) (( segid " " and resid 862 and name HB )) 2.400 0.700 0.700 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.45032E-02 ppm1 7.995 ppm2 1.863 CV 1 ASSI { 1153} (( segid " " and resid 862 and name H )) (( segid " " and resid 858 and name HA )) 3.900 1.900 1.900 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.46048E-03 ppm1 7.995 ppm2 4.199 CV 1 ASSI { 1157} (( segid " " and resid 862 and name H )) (( segid " " and resid 863 and name H )) 2.700 0.900 0.900 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.20789E-02 ppm1 7.995 ppm2 7.883 CV 1 ASSI { 1158} (( segid " " and resid 862 and name H )) (( segid " " and resid 864 and name H )) 4.100 2.100 1.900 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.35890E-03 ppm1 7.996 ppm2 8.513 CV 1 ASSI { 1163} (( segid " " and resid 855 and name H )) (( segid " " and resid 857 and name H )) 3.800 1.800 1.800 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.71783E-03 ppm1 7.897 ppm2 8.264 CV 1 ASSI { 1171} (( segid " " and resid 863 and name H )) (( segid " " and resid 862 and name HB )) 2.700 0.900 0.900 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.21026E-02 ppm1 7.883 ppm2 1.862 CV 1 ASSI { 1173} (( segid " " and resid 863 and name H )) (( segid " " and resid 863 and name HB2 )) 2.800 1.000 1.000 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.33571E-02 ppm1 7.883 ppm2 1.622 CV 1 ASSI { 1175} (( segid " " and resid 863 and name H )) (( segid " " and resid 862 and name HG12)) 3.500 1.500 1.500 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.33351E-03 ppm1 7.882 ppm2 1.206 CV 1 ASSI { 1180} (( segid " " and resid 863 and name H )) ( segid " " and resid 862 and name HD1%) 3.300 1.400 1.400 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.43508E-03 ppm1 7.882 ppm2 0.767 CV 1 ASSI { 1181} (( segid " " and resid 863 and name H )) ( segid " " and resid 863 and name HD2%) 4.200 2.200 1.800 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.11901E-02 ppm1 7.882 ppm2 0.684 CV 1 OR { 1181} (( segid " " and resid 863 and name H )) ( segid " " and resid 863 and name HD1%) ASSI { 1182} (( segid " " and resid 864 and name H )) (( segid " " and resid 863 and name HB2 )) 3.700 1.700 1.700 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.19232E-02 ppm1 8.512 ppm2 1.619 CV 1 ASSI { 1184} (( segid " " and resid 864 and name H )) (( segid " " and resid 863 and name HB3 )) 2.700 0.900 0.900 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.15423E-02 ppm1 8.512 ppm2 1.399 CV 1 ASSI { 1185} (( segid " " and resid 864 and name H )) ( segid " " and resid 833 and name HG2%) 4.400 2.400 1.600 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.50788E-03 ppm1 8.511 ppm2 1.106 CV 1 ASSI { 1186} (( segid " " and resid 864 and name H )) ( segid " " and resid 837 and name HG2%) 3.200 1.300 1.300 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.12307E-02 ppm1 8.512 ppm2 0.995 CV 1 ASSI { 1188} (( segid " " and resid 864 and name H )) ( segid " " and resid 837 and name HG1%) 4.200 2.200 1.800 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.49095E-03 ppm1 8.512 ppm2 0.848 CV 1 ASSI { 1190} (( segid " " and resid 864 and name H )) (( segid " " and resid 862 and name HB )) 5.000 3.100 1.000 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.25225E-03 ppm1 8.512 ppm2 1.869 CV 1 ASSI { 1191} (( segid " " and resid 864 and name H )) (( segid " " and resid 865 and name HB2 )) 5.100 3.300 0.900 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.25225E-03 ppm1 8.512 ppm2 2.717 CV 1 ASSI { 1192} (( segid " " and resid 864 and name H )) (( segid " " and resid 861 and name HA )) 3.200 1.300 1.300 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.12307E-02 ppm1 8.512 ppm2 3.980 CV 1 ASSI { 1194} (( segid " " and resid 864 and name H )) (( segid " " and resid 860 and name HA )) 3.800 1.800 1.800 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.61282E-03 ppm1 8.511 ppm2 3.843 CV 1 ASSI { 1195} (( segid " " and resid 864 and name H )) (( segid " " and resid 865 and name HA )) 4.500 2.500 1.500 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.46725E-03 ppm1 8.512 ppm2 4.349 CV 1 ASSI { 1196} (( segid " " and resid 864 and name H )) (( segid " " and resid 866 and name H )) 4.000 2.000 2.000 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.38768E-03 ppm1 8.512 ppm2 8.357 CV 1 ASSI { 1198} (( segid " " and resid 864 and name H )) (( segid " " and resid 863 and name H )) 2.700 0.900 0.900 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.26274E-02 ppm1 8.512 ppm2 7.884 CV 1 ASSI { 1199} (( segid " " and resid 864 and name H )) (( segid " " and resid 861 and name H )) 4.300 2.300 1.700 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.22516E-03 ppm1 8.512 ppm2 7.707 CV 1 ASSI { 1200} (( segid " " and resid 864 and name H )) (( segid " " and resid 865 and name H )) 2.700 0.900 0.900 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.26223E-02 ppm1 8.512 ppm2 8.622 CV 1 ASSI { 1203} (( segid " " and resid 865 and name H )) (( segid " " and resid 868 and name H )) 4.500 2.600 1.500 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.29965E-03 ppm1 8.621 ppm2 7.970 CV 1 ASSI { 1204} (( segid " " and resid 865 and name H )) (( segid " " and resid 863 and name H )) 3.900 1.900 1.900 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.43678E-03 ppm1 8.621 ppm2 7.883 CV 1 ASSI { 1205} (( segid " " and resid 865 and name H )) (( segid " " and resid 866 and name HA )) 4.800 2.900 1.200 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.35721E-03 ppm1 8.620 ppm2 4.076 CV 1 ASSI { 1206} (( segid " " and resid 865 and name H )) (( segid " " and resid 861 and name HA )) 3.500 1.500 1.500 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.72964E-03 ppm1 8.620 ppm2 3.980 CV 1 ASSI { 1207} (( segid " " and resid 865 and name H )) (( segid " " and resid 864 and name HA )) 3.400 1.400 1.400 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.11613E-02 ppm1 8.620 ppm2 3.922 CV 1 ASSI { 1208} (( segid " " and resid 865 and name H )) (( segid " " and resid 862 and name HA )) 3.200 1.200 1.200 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.13087E-02 ppm1 8.620 ppm2 3.797 CV 1 ASSI { 1222} (( segid " " and resid 868 and name H )) ( segid " " and resid 871 and name HG2%) 4.400 2.400 1.600 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.33690E-03 ppm1 7.960 ppm2 0.995 CV 1 ASSI { 1223} (( segid " " and resid 868 and name H )) ( segid " " and resid 871 and name HG1%) 5.000 3.100 1.000 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.27087E-03 ppm1 7.960 ppm2 0.844 CV 1 ASSI { 1224} (( segid " " and resid 868 and name H )) ( segid " " and resid 897 and name HD2%) 4.900 3.000 1.100 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.26918E-03 ppm1 7.960 ppm2 0.825 CV 1 ASSI { 1226} (( segid " " and resid 868 and name H )) ( segid " " and resid 866 and name HB% ) 4.300 2.300 1.700 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.58575E-03 ppm1 7.960 ppm2 1.368 CV 1 ASSI { 1227} (( segid " " and resid 868 and name H )) (( segid " " and resid 871 and name HB )) 4.600 2.700 1.400 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.27933E-03 ppm1 7.960 ppm2 2.116 CV 1 ASSI { 1228} (( segid " " and resid 868 and name H )) (( segid " " and resid 869 and name HB2 )) 4.500 2.500 1.500 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.42154E-03 ppm1 7.960 ppm2 1.862 CV 1 ASSI { 1229} (( segid " " and resid 868 and name H )) (( segid " " and resid 865 and name HA )) 2.800 1.000 1.000 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.24514E-02 ppm1 7.960 ppm2 4.348 CV 1 ASSI { 1230} (( segid " " and resid 868 and name H )) (( segid " " and resid 867 and name HB )) 2.600 0.800 0.800 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.33436E-02 ppm1 7.960 ppm2 4.282 CV 1 ASSI { 1231} (( segid " " and resid 868 and name H )) (( segid " " and resid 866 and name HA )) 4.200 2.200 1.800 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.35383E-03 ppm1 7.959 ppm2 4.077 CV 1 ASSI { 1234} (( segid " " and resid 868 and name H )) (( segid " " and resid 867 and name HA )) 3.300 1.400 1.400 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.95313E-03 ppm1 7.960 ppm2 3.720 CV 1 ASSI { 1235} (( segid " " and resid 868 and name H )) (( segid " " and resid 870 and name H )) 3.900 2.000 2.000 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.41816E-03 ppm1 7.960 ppm2 7.721 CV 1 ASSI { 1236} (( segid " " and resid 868 and name H )) (( segid " " and resid 869 and name H )) 2.600 0.900 0.900 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.31946E-02 ppm1 7.960 ppm2 7.573 CV 1 ASSI { 1238} (( segid " " and resid 868 and name H )) (( segid " " and resid 867 and name H )) 2.600 0.800 0.800 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.33639E-02 ppm1 7.960 ppm2 8.474 CV 1 ASSI { 1241} (( segid " " and resid 869 and name H )) (( segid " " and resid 871 and name H )) 4.100 2.100 1.900 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.47910E-03 ppm1 7.572 ppm2 8.855 CV 1 ASSI { 1244} (( segid " " and resid 869 and name H )) (( segid " " and resid 870 and name H )) 2.600 0.900 0.900 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.27612E-02 ppm1 7.572 ppm2 7.722 CV 1 ASSI { 1246} (( segid " " and resid 869 and name H )) (( segid " " and resid 865 and name HA )) 3.800 1.800 1.800 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.62469E-03 ppm1 7.571 ppm2 4.351 CV 1 ASSI { 1247} (( segid " " and resid 869 and name H )) (( segid " " and resid 867 and name HB )) 4.900 3.000 1.100 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.28780E-03 ppm1 7.571 ppm2 4.281 CV 1 ASSI { 1248} (( segid " " and resid 869 and name H )) (( segid " " and resid 870 and name HA )) 4.900 3.100 1.100 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.27426E-03 ppm1 7.571 ppm2 4.179 CV 1 ASSI { 1251} (( segid " " and resid 869 and name H )) (( segid " " and resid 867 and name HA )) 4.100 2.100 1.900 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.38091E-03 ppm1 7.571 ppm2 3.719 CV 1 ASSI { 1252} (( segid " " and resid 869 and name H )) (( segid " " and resid 869 and name HB2 )) 2.300 0.700 0.700 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.48486E-02 ppm1 7.571 ppm2 1.861 CV 1 ASSI { 1253} (( segid " " and resid 869 and name H )) (( segid " " and resid 869 and name HD2 )) 4.400 2.400 1.600 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.42831E-03 ppm1 7.571 ppm2 1.706 CV 1 OR { 1253} (( segid " " and resid 869 and name H )) (( segid " " and resid 869 and name HD3 )) ASSI { 1256} (( segid " " and resid 869 and name H )) (( segid " " and resid 869 and name HG2 )) 3.400 1.400 1.400 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.13324E-02 ppm1 7.572 ppm2 1.369 CV 1 ASSI { 1257} (( segid " " and resid 869 and name H )) (( segid " " and resid 872 and name HB2 )) 4.600 2.600 1.400 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.26748E-03 ppm1 7.572 ppm2 2.014 CV 1 ASSI { 1258} (( segid " " and resid 869 and name H )) (( segid " " and resid 870 and name HB3 )) 5.000 3.100 1.000 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.24547E-03 ppm1 7.573 ppm2 2.409 CV 1 ASSI { 1259} (( segid " " and resid 869 and name H )) ( segid " " and resid 867 and name HG2%) 4.800 2.900 1.200 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.22855E-03 ppm1 7.570 ppm2 1.111 CV 1 ASSI { 1260} (( segid " " and resid 870 and name H )) ( segid " " and resid 867 and name HG2%) 4.500 2.500 1.500 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.36229E-03 ppm1 7.720 ppm2 1.111 CV 1 ASSI { 1262} (( segid " " and resid 870 and name H )) ( segid " " and resid 829 and name HD1%) 5.000 3.200 1.000 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.28441E-03 ppm1 7.721 ppm2 0.759 CV 1 ASSI { 1263} (( segid " " and resid 870 and name H )) ( segid " " and resid 868 and name HB% ) 4.700 2.700 1.300 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.41308E-03 ppm1 7.719 ppm2 1.490 CV 1 ASSI { 1264} (( segid " " and resid 870 and name H )) ( segid " " and resid 893 and name HB% ) 3.600 1.600 1.600 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.10648E-02 ppm1 7.720 ppm2 1.401 CV 1 ASSI { 1267} (( segid " " and resid 870 and name H )) (( segid " " and resid 870 and name HB3 )) 2.500 0.800 0.800 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.26833E-02 ppm1 7.720 ppm2 2.409 CV 1 ASSI { 1269} (( segid " " and resid 870 and name H )) (( segid " " and resid 872 and name HB2 )) 4.600 2.700 1.400 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.20485E-03 ppm1 7.720 ppm2 2.014 CV 1 ASSI { 1271} (( segid " " and resid 870 and name H )) (( segid " " and resid 869 and name HB2 )) 2.900 1.000 1.000 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.17437E-02 ppm1 7.720 ppm2 1.856 CV 1 ASSI { 1272} (( segid " " and resid 870 and name H )) (( segid " " and resid 870 and name HB2 )) 2.800 0.900 0.900 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.28627E-02 ppm1 7.720 ppm2 1.716 CV 1 ASSI { 1274} (( segid " " and resid 870 and name H )) (( segid " " and resid 866 and name HA )) 4.200 2.200 1.800 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.25902E-03 ppm1 7.719 ppm2 4.083 CV 1 ASSI { 1276} (( segid " " and resid 870 and name H )) (( segid " " and resid 867 and name HA )) 3.300 1.300 1.300 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.13797E-02 ppm1 7.720 ppm2 3.720 CV 1 ASSI { 1277} (( segid " " and resid 870 and name H )) (( segid " " and resid 871 and name HA )) 5.100 3.200 0.900 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.24209E-03 ppm1 7.719 ppm2 3.373 CV 1 ASSI { 1279} (( segid " " and resid 870 and name H )) (( segid " " and resid 873 and name H )) 4.400 2.400 1.600 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.24547E-03 ppm1 7.720 ppm2 8.132 CV 1 ASSI { 1281} (( segid " " and resid 870 and name H )) (( segid " " and resid 871 and name H )) 2.700 0.900 0.900 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.24886E-02 ppm1 7.720 ppm2 8.855 CV 1 ASSI { 1282} (( segid " " and resid 870 and name H )) (( segid " " and resid 867 and name H )) 4.600 2.600 1.400 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.19130E-03 ppm1 7.721 ppm2 8.474 CV 1 ASSI { 1283} (( segid " " and resid 871 and name H )) (( segid " " and resid 873 and name H )) 4.000 2.000 2.000 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.42154E-03 ppm1 8.854 ppm2 8.134 CV 1 ASSI { 1284} (( segid " " and resid 871 and name H )) (( segid " " and resid 868 and name H )) 4.400 2.400 1.600 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.24040E-03 ppm1 8.854 ppm2 7.962 CV 1 ASSI { 1288} (( segid " " and resid 871 and name H )) (( segid " " and resid 867 and name HA )) 3.800 1.800 1.800 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.56713E-03 ppm1 8.853 ppm2 3.720 CV 1 ASSI { 1289} (( segid " " and resid 871 and name H )) (( segid " " and resid 870 and name HA )) 3.500 1.500 1.500 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.69409E-03 ppm1 8.854 ppm2 4.181 CV 1 ASSI { 1291} (( segid " " and resid 871 and name H )) (( segid " " and resid 872 and name HA )) 5.100 3.300 0.900 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.24717E-03 ppm1 8.853 ppm2 3.953 CV 1 ASSI { 1292} (( segid " " and resid 871 and name H )) (( segid " " and resid 871 and name HA )) 2.800 1.000 1.000 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.22973E-02 ppm1 8.853 ppm2 3.374 CV 1 ASSI { 1293} (( segid " " and resid 871 and name H )) (( segid " " and resid 870 and name HG2 )) 4.800 2.900 1.200 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.30473E-03 ppm1 8.853 ppm2 2.589 CV 1 ASSI { 1294} (( segid " " and resid 871 and name H )) (( segid " " and resid 870 and name HB3 )) 2.900 1.000 1.000 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.13239E-02 ppm1 8.853 ppm2 2.409 CV 1 ASSI { 1295} (( segid " " and resid 871 and name H )) (( segid " " and resid 872 and name HG3 )) 5.100 3.300 0.900 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.19807E-03 ppm1 8.854 ppm2 2.264 CV 1 ASSI { 1296} (( segid " " and resid 871 and name H )) (( segid " " and resid 871 and name HB )) 2.400 0.700 0.700 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.44541E-02 ppm1 8.853 ppm2 2.115 CV 1 ASSI { 1298} (( segid " " and resid 871 and name H )) ( segid " " and resid 870 and name HE% ) 4.700 2.700 1.300 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.25056E-03 ppm1 8.854 ppm2 1.949 CV 1 ASSI { 1302} (( segid " " and resid 871 and name H )) ( segid " " and resid 874 and name HB% ) 4.600 2.700 1.400 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.27933E-03 ppm1 8.852 ppm2 1.312 CV 1 ASSI { 1309} (( segid " " and resid 872 and name H )) (( segid " " and resid 875 and name HD3 )) 4.500 2.600 1.500 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.26748E-03 ppm1 7.782 ppm2 1.586 CV 1 ASSI { 1310} (( segid " " and resid 872 and name H )) ( segid " " and resid 868 and name HB% ) 4.400 2.400 1.600 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.32166E-03 ppm1 7.782 ppm2 1.491 CV 1 ASSI { 1314} (( segid " " and resid 872 and name H )) (( segid " " and resid 871 and name HB )) 2.600 0.800 0.800 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.30338E-02 ppm1 7.783 ppm2 2.114 CV 1 ASSI { 1317} (( segid " " and resid 872 and name H )) (( segid " " and resid 873 and name H )) 2.600 0.800 0.800 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.32352E-02 ppm1 7.783 ppm2 8.133 CV 1 ASSI { 1318} (( segid " " and resid 872 and name H )) (( segid " " and resid 875 and name H )) 4.300 2.300 1.700 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.29965E-03 ppm1 7.783 ppm2 7.958 CV 1 ASSI { 1319} (( segid " " and resid 872 and name H )) (( segid " " and resid 871 and name H )) 2.600 0.800 0.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.32741E-02 ppm1 7.783 ppm2 8.856 CV 1 ASSI { 1320} (( segid " " and resid 873 and name H )) (( segid " " and resid 874 and name H )) 2.500 0.800 0.800 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.38447E-02 ppm1 8.131 ppm2 8.863 CV 1 ASSI { 1322} (( segid " " and resid 873 and name H )) (( segid " " and resid 875 and name H )) 4.000 2.000 2.000 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.43339E-03 ppm1 8.131 ppm2 7.958 CV 1 ASSI { 1325} (( segid " " and resid 873 and name H )) (( segid " " and resid 869 and name HA )) 3.600 1.700 1.700 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.68563E-03 ppm1 8.131 ppm2 4.022 CV 1 ASSI { 1327} (( segid " " and resid 873 and name H )) (( segid " " and resid 874 and name HA )) 5.000 3.200 1.000 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.26748E-03 ppm1 8.131 ppm2 3.848 CV 1 ASSI { 1329} (( segid " " and resid 873 and name H )) (( segid " " and resid 869 and name HB3 )) 4.300 2.300 1.700 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.23701E-03 ppm1 8.130 ppm2 1.845 CV 1 ASSI { 1330} (( segid " " and resid 873 and name H )) (( segid " " and resid 871 and name HB )) 3.300 3.300 2.700 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.41985E-03 ppm1 8.130 ppm2 2.114 CV 1 ASSI { 1331} (( segid " " and resid 873 and name H )) (( segid " " and resid 872 and name HB2 )) 2.500 0.800 0.800 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.34350E-02 ppm1 8.131 ppm2 2.016 CV 1 ASSI { 1332} (( segid " " and resid 873 and name H )) ( segid " " and resid 893 and name HB% ) 3.700 1.700 1.700 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.85999E-03 ppm1 8.131 ppm2 1.409 CV 1 ASSI { 1334} (( segid " " and resid 873 and name H )) ( segid " " and resid 871 and name HG2%) 3.800 1.800 1.800 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.18453E-03 ppm1 8.131 ppm2 0.996 CV 1 ASSI { 1335} (( segid " " and resid 873 and name H )) ( segid " " and resid 871 and name HG1%) 4.600 2.600 1.400 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.27426E-03 ppm1 8.131 ppm2 0.847 CV 1 ASSI { 1341} (( segid " " and resid 874 and name H )) ( segid " " and resid 877 and name HB% ) 4.300 2.300 1.700 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.43678E-03 ppm1 8.861 ppm2 1.246 CV 1 ASSI { 1342} (( segid " " and resid 874 and name H )) ( segid " " and resid 871 and name HG2%) 3.700 1.700 1.700 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.22686E-03 ppm1 8.861 ppm2 0.997 CV 1 ASSI { 1343} (( segid " " and resid 874 and name H )) ( segid " " and resid 871 and name HG1%) 4.300 2.300 1.700 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.36229E-03 ppm1 8.862 ppm2 0.848 CV 1 ASSI { 1344} (( segid " " and resid 874 and name H )) (( segid " " and resid 875 and name HG3 )) 4.500 2.500 1.500 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.31489E-03 ppm1 8.862 ppm2 1.591 CV 1 ASSI { 1346} (( segid " " and resid 874 and name H )) (( segid " " and resid 872 and name HB2 )) 3.900 1.900 1.900 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.38937E-03 ppm1 8.862 ppm2 2.016 CV 1 OR { 1346} (( segid " " and resid 874 and name H )) (( segid " " and resid 872 and name HB3 )) ASSI { 1347} (( segid " " and resid 874 and name H )) ( segid " " and resid 870 and name HE% ) 4.400 2.400 1.600 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.34705E-03 ppm1 8.862 ppm2 1.949 CV 1 ASSI { 1348} (( segid " " and resid 874 and name H )) (( segid " " and resid 875 and name HB2 )) 4.500 2.500 1.500 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.45540E-03 ppm1 8.862 ppm2 1.820 CV 1 ASSI { 1349} (( segid " " and resid 874 and name H )) (( segid " " and resid 870 and name HA )) 3.700 1.700 1.700 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.53666E-03 ppm1 8.862 ppm2 4.180 CV 1 ASSI { 1353} (( segid " " and resid 874 and name H )) (( segid " " and resid 875 and name HA )) 4.900 3.000 1.100 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.24209E-03 ppm1 8.862 ppm2 3.758 CV 1 ASSI { 1354} (( segid " " and resid 874 and name H )) (( segid " " and resid 871 and name HA )) 3.100 1.200 1.200 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.12561E-02 ppm1 8.862 ppm2 3.373 CV 1 ASSI { 1355} (( segid " " and resid 874 and name H )) (( segid " " and resid 877 and name H )) 4.400 2.400 1.600 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.24886E-03 ppm1 8.863 ppm2 8.222 CV 1 ASSI { 1357} (( segid " " and resid 874 and name H )) (( segid " " and resid 875 and name H )) 2.600 0.900 0.900 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.28848E-02 ppm1 8.862 ppm2 7.957 CV 1 ASSI { 1358} (( segid " " and resid 874 and name H )) (( segid " " and resid 872 and name H )) 4.000 2.000 2.000 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.49603E-03 ppm1 8.862 ppm2 7.783 CV 1 ASSI { 1359} (( segid " " and resid 875 and name H )) (( segid " " and resid 877 and name H )) 4.100 2.100 1.900 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.38768E-03 ppm1 7.956 ppm2 8.221 CV 1 ASSI { 1362} (( segid " " and resid 875 and name H )) (( segid " " and resid 873 and name HA )) 4.200 2.200 1.800 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.29965E-03 ppm1 7.954 ppm2 4.106 CV 1 ASSI { 1364} (( segid " " and resid 875 and name H )) (( segid " " and resid 874 and name HA )) 3.200 1.300 1.300 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.11343E-02 ppm1 7.955 ppm2 3.852 CV 1 ASSI { 1367} (( segid " " and resid 875 and name H )) (( segid " " and resid 875 and name HB2 )) 2.300 0.700 0.700 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.45912E-02 ppm1 7.955 ppm2 1.820 CV 1 ASSI { 1368} (( segid " " and resid 875 and name H )) (( segid " " and resid 875 and name HG3 )) 2.500 0.800 0.800 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.32521E-02 ppm1 7.955 ppm2 1.590 CV 1 ASSI { 1369} (( segid " " and resid 875 and name H )) ( segid " " and resid 826 and name HB% ) 4.000 2.000 2.000 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.58745E-03 ppm1 7.955 ppm2 1.409 CV 1 ASSI { 1373} (( segid " " and resid 876 and name H )) (( segid " " and resid 875 and name HG3 )) 4.300 2.300 1.700 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.50958E-03 ppm1 7.997 ppm2 1.587 CV 1 ASSI { 1374} (( segid " " and resid 876 and name H )) ( segid " " and resid 878 and name HB% ) 4.700 2.700 1.300 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.24209E-03 ppm1 7.997 ppm2 1.404 CV 1 ASSI { 1375} (( segid " " and resid 876 and name H )) ( segid " " and resid 873 and name HB% ) 4.700 2.800 1.300 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.26579E-03 ppm1 7.999 ppm2 1.350 CV 1 ASSI { 1376} (( segid " " and resid 876 and name H )) ( segid " " and resid 874 and name HB% ) 4.600 2.700 1.400 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.38430E-03 ppm1 7.998 ppm2 1.310 CV 1 ASSI { 1377} (( segid " " and resid 876 and name H )) ( segid " " and resid 877 and name HB% ) 4.400 2.400 1.600 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.63485E-03 ppm1 7.997 ppm2 1.247 CV 1 ASSI { 1378} (( segid " " and resid 876 and name H )) ( segid " " and resid 879 and name HB% ) 4.500 2.500 1.500 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.33690E-03 ppm1 7.998 ppm2 1.166 CV 1 ASSI { 1379} (( segid " " and resid 876 and name H )) (( segid " " and resid 875 and name HB2 )) 2.800 1.000 1.000 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.20146E-02 ppm1 7.998 ppm2 1.820 CV 1 OR { 1379} (( segid " " and resid 876 and name H )) (( segid " " and resid 875 and name HB3 )) ASSI { 1380} (( segid " " and resid 876 and name H )) (( segid " " and resid 873 and name HA )) 3.200 1.300 1.300 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.10090E-02 ppm1 7.997 ppm2 4.106 CV 1 ASSI { 1381} (( segid " " and resid 876 and name H )) (( segid " " and resid 872 and name HA )) 3.500 1.600 1.600 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.82614E-03 ppm1 7.998 ppm2 3.949 CV 1 ASSI { 1383} (( segid " " and resid 876 and name H )) (( segid " " and resid 875 and name HA )) 3.500 1.500 1.500 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.82443E-03 ppm1 7.998 ppm2 3.760 CV 1 ASSI { 1384} (( segid " " and resid 876 and name H )) (( segid " " and resid 874 and name H )) 4.200 2.200 1.800 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.41816E-03 ppm1 7.998 ppm2 8.864 CV 1 ASSI { 1385} (( segid " " and resid 876 and name H )) (( segid " " and resid 877 and name H )) 2.800 0.900 0.900 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.22973E-02 ppm1 7.997 ppm2 8.222 CV 1 ASSI { 1387} (( segid " " and resid 877 and name H )) (( segid " " and resid 886 and name HE21)) 3.800 1.800 1.800 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.44186E-03 ppm1 8.220 ppm2 7.275 CV 1 ASSI { 1388} (( segid " " and resid 877 and name H )) (( segid " " and resid 879 and name H )) 4.100 2.100 1.900 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.48757E-03 ppm1 8.220 ppm2 7.195 CV 1 ASSI { 1389} (( segid " " and resid 877 and name H )) (( segid " " and resid 873 and name HA )) 3.700 1.700 1.700 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.49095E-03 ppm1 8.221 ppm2 4.106 CV 1 ASSI { 1391} (( segid " " and resid 877 and name H )) (( segid " " and resid 876 and name HA3 )) 2.600 0.800 0.800 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.33909E-02 ppm1 8.220 ppm2 3.863 CV 1 ASSI { 1392} (( segid " " and resid 877 and name H )) (( segid " " and resid 875 and name HA )) 4.100 2.100 1.900 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.31827E-03 ppm1 8.219 ppm2 3.760 CV 1 ASSI { 1393} (( segid " " and resid 877 and name H )) (( segid " " and resid 886 and name HB2 )) 4.900 3.000 1.100 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.35044E-03 ppm1 8.220 ppm2 2.021 CV 1 ASSI { 1395} (( segid " " and resid 877 and name H )) (( segid " " and resid 875 and name HB2 )) 4.900 3.000 1.100 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.26579E-03 ppm1 8.220 ppm2 1.819 CV 1 OR { 1395} (( segid " " and resid 877 and name H )) (( segid " " and resid 875 and name HB3 )) ASSI { 1400} (( segid " " and resid 877 and name H )) ( segid " " and resid 890 and name HD1%) 4.400 2.400 1.600 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.36229E-03 ppm1 8.220 ppm2 0.693 CV 1 ASSI { 1403} (( segid " " and resid 878 and name H )) ( segid " " and resid 874 and name HB% ) 3.300 1.400 1.400 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.43847E-03 ppm1 7.981 ppm2 1.310 CV 1 ASSI { 1406} (( segid " " and resid 878 and name H )) ( segid " " and resid 823 and name HG2%) 4.100 2.100 1.900 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.71272E-03 ppm1 7.982 ppm2 0.945 CV 1 ASSI { 1408} (( segid " " and resid 878 and name H )) ( segid " " and resid 890 and name HD1%) 3.900 1.900 1.900 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.16252E-03 ppm1 7.982 ppm2 0.695 CV 1 ASSI { 1409} (( segid " " and resid 878 and name H )) ( segid " " and resid 890 and name HD2%) 3.700 1.700 1.700 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.24547E-03 ppm1 7.982 ppm2 0.516 CV 1 ASSI { 1413} (( segid " " and resid 878 and name H )) (( segid " " and resid 875 and name HA )) 3.200 1.200 1.200 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.11394E-02 ppm1 7.982 ppm2 3.760 CV 1 ASSI { 1415} (( segid " " and resid 878 and name H )) (( segid " " and resid 879 and name H )) 2.600 0.800 0.800 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.38108E-02 ppm1 7.982 ppm2 7.195 CV 1 ASSI { 1416} (( segid " " and resid 878 and name H )) (( segid " " and resid 877 and name H )) 2.600 0.800 0.800 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.32471E-02 ppm1 7.982 ppm2 8.222 CV 1 ASSI { 1419} (( segid " " and resid 879 and name H )) (( segid " " and resid 880 and name H )) 2.600 0.800 0.800 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.37888E-02 ppm1 7.193 ppm2 7.268 CV 1 ASSI { 1421} (( segid " " and resid 879 and name H )) (( segid " " and resid 876 and name HA2 )) 3.300 1.400 1.400 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.88203E-03 ppm1 7.193 ppm2 3.867 CV 1 ASSI { 1422} (( segid " " and resid 879 and name H )) (( segid " " and resid 875 and name HA )) 3.700 1.700 1.700 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.44017E-03 ppm1 7.193 ppm2 3.760 CV 1 ASSI { 1423} (( segid " " and resid 879 and name H )) ( segid " " and resid 822 and name HE% ) 5.400 3.700 0.600 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.22008E-03 ppm1 7.193 ppm2 1.873 CV 1 ASSI { 1427} (( segid " " and resid 880 and name H )) ( segid " " and resid 878 and name HB% ) 3.200 1.300 1.300 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.54343E-03 ppm1 7.267 ppm2 1.399 CV 1 ASSI { 1428} (( segid " " and resid 880 and name H )) ( segid " " and resid 877 and name HB% ) 4.300 2.400 1.700 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.39276E-03 ppm1 7.267 ppm2 1.243 CV 1 ASSI { 1430} (( segid " " and resid 880 and name H )) (( segid " " and resid 881 and name HD2 )) 4.100 2.100 1.900 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.75339E-03 ppm1 7.267 ppm2 3.541 CV 1 ASSI { 1432} (( segid " " and resid 880 and name H )) (( segid " " and resid 880 and name HB2 )) 3.100 1.200 1.200 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.93110E-03 ppm1 7.267 ppm2 3.076 CV 1 ASSI { 1433} (( segid " " and resid 880 and name H )) (( segid " " and resid 880 and name HB3 )) 3.900 1.900 1.900 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.13408E-02 ppm1 7.267 ppm2 3.008 CV 1 ASSI { 1435} (( segid " " and resid 880 and name H )) (( segid " " and resid 879 and name HA )) 3.100 1.200 1.200 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.19536E-02 ppm1 7.267 ppm2 3.964 CV 1 ASSI { 1436} (( segid " " and resid 880 and name H )) (( segid " " and resid 876 and name HA2 )) 3.700 1.700 1.700 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.43678E-03 ppm1 7.266 ppm2 3.865 CV 1 ASSI { 1437} (( segid " " and resid 880 and name H )) (( segid " " and resid 880 and name HA )) 2.900 1.100 1.100 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.18927E-02 ppm1 7.266 ppm2 5.050 CV 1 ASSI { 1439} (( segid " " and resid 880 and name H )) (( segid " " and resid 878 and name H )) 3.600 1.600 1.600 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.66024E-03 ppm1 7.267 ppm2 7.985 CV 1 ASSI { 1440} (( segid " " and resid 882 and name H )) (( segid " " and resid 883 and name H )) 2.500 0.800 0.800 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.40156E-02 ppm1 8.512 ppm2 7.406 CV 1 ASSI { 1441} (( segid " " and resid 882 and name H )) (( segid " " and resid 880 and name HA )) 3.700 1.700 1.700 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.83631E-03 ppm1 8.512 ppm2 5.050 CV 1 ASSI { 1448} (( segid " " and resid 882 and name H )) (( segid " " and resid 881 and name HG2 )) 2.900 1.000 1.000 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.14035E-02 ppm1 8.512 ppm2 1.865 CV 1 ASSI { 1451} (( segid " " and resid 883 and name H )) (( segid " " and resid 886 and name HG2 )) 4.800 2.900 1.200 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.40969E-03 ppm1 7.405 ppm2 2.415 CV 1 ASSI { 1452} (( segid " " and resid 883 and name H )) (( segid " " and resid 886 and name HG3 )) 5.100 3.300 0.900 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.25563E-03 ppm1 7.404 ppm2 2.319 CV 1 ASSI { 1453} (( segid " " and resid 883 and name H )) (( segid " " and resid 886 and name HB2 )) 4.300 2.300 1.700 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.36567E-03 ppm1 7.405 ppm2 2.018 CV 1 ASSI { 1455} (( segid " " and resid 883 and name H )) (( segid " " and resid 880 and name HB3 )) 3.700 1.700 1.700 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.42662E-03 ppm1 7.404 ppm2 3.009 CV 1 ASSI { 1457} (( segid " " and resid 883 and name H )) (( segid " " and resid 883 and name HA )) 2.900 1.000 1.000 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.21822E-02 ppm1 7.404 ppm2 4.555 CV 1 ASSI { 1458} (( segid " " and resid 883 and name H )) (( segid " " and resid 881 and name HA )) 3.600 1.600 1.600 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.66024E-03 ppm1 7.404 ppm2 4.457 CV 1 ASSI { 1459} (( segid " " and resid 883 and name H )) (( segid " " and resid 883 and name HB3 )) 2.900 1.000 1.000 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.28864E-02 ppm1 7.404 ppm2 4.005 CV 1 ASSI { 1460} (( segid " " and resid 883 and name H )) (( segid " " and resid 883 and name HB2 )) 2.700 0.900 0.900 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.23837E-02 ppm1 7.404 ppm2 3.856 CV 1 ASSI { 1461} (( segid " " and resid 883 and name H )) (( segid " " and resid 886 and name H )) 4.800 2.800 1.200 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.30642E-03 ppm1 7.405 ppm2 7.874 CV 1 ASSI { 1463} (( segid " " and resid 884 and name H )) (( segid " " and resid 885 and name H )) 3.400 1.500 1.500 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.57898E-03 ppm1 9.238 ppm2 8.499 CV 1 ASSI { 1464} (( segid " " and resid 883 and name H )) (( segid " " and resid 884 and name H )) 5.200 3.400 0.800 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.18114E-03 ppm1 7.404 ppm2 9.240 CV 1 ASSI { 1468} (( segid " " and resid 884 and name H )) (( segid " " and resid 883 and name HB2 )) 4.900 3.000 1.100 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.21839E-03 ppm1 9.240 ppm2 3.857 CV 1 ASSI { 1473} (( segid " " and resid 885 and name H )) (( segid " " and resid 885 and name HA )) 2.700 0.900 0.900 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.32927E-02 ppm1 8.497 ppm2 3.993 CV 1 ASSI { 1475} (( segid " " and resid 885 and name H )) (( segid " " and resid 884 and name HG2 )) 4.400 2.400 1.600 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.28780E-03 ppm1 8.497 ppm2 2.307 CV 1 ASSI { 1476} (( segid " " and resid 885 and name H )) (( segid " " and resid 885 and name HG3 )) 3.600 1.600 1.600 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.88878E-03 ppm1 8.498 ppm2 2.195 CV 1 ASSI { 1477} (( segid " " and resid 885 and name H )) (( segid " " and resid 885 and name HG2 )) 3.900 1.900 1.900 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.60606E-03 ppm1 8.498 ppm2 2.096 CV 1 ASSI { 1479} (( segid " " and resid 885 and name H )) (( segid " " and resid 885 and name HB2 )) 2.700 0.900 0.900 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.23972E-02 ppm1 8.497 ppm2 1.783 CV 1 ASSI { 1480} (( segid " " and resid 885 and name H )) (( segid " " and resid 886 and name H )) 2.800 1.000 1.000 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.17556E-02 ppm1 8.497 ppm2 7.873 CV 1 ASSI { 1481} (( segid " " and resid 885 and name H )) (( segid " " and resid 887 and name H )) 4.100 2.100 1.900 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.37922E-03 ppm1 8.497 ppm2 7.817 CV 1 ASSI { 1484} (( segid " " and resid 886 and name H )) (( segid " " and resid 888 and name H )) 4.200 2.200 1.800 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.35383E-03 ppm1 7.871 ppm2 8.304 CV 1 ASSI { 1485} (( segid " " and resid 886 and name H )) (( segid " " and resid 889 and name H )) 4.600 2.600 1.400 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.19976E-03 ppm1 7.873 ppm2 8.025 CV 1 ASSI { 1486} (( segid " " and resid 886 and name H )) (( segid " " and resid 887 and name H )) 2.700 0.900 0.900 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.22431E-02 ppm1 7.872 ppm2 7.817 CV 1 ASSI { 1488} (( segid " " and resid 886 and name H )) (( segid " " and resid 886 and name HE21)) 5.500 3.800 0.500 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.22177E-03 ppm1 7.872 ppm2 7.278 CV 1 ASSI { 1489} (( segid " " and resid 886 and name H )) (( segid " " and resid 886 and name HA )) 2.600 0.900 0.900 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.31861E-02 ppm1 7.872 ppm2 3.995 CV 1 ASSI { 1490} (( segid " " and resid 886 and name H )) (( segid " " and resid 883 and name HB2 )) 3.900 1.900 1.900 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.64161E-03 ppm1 7.872 ppm2 3.861 CV 1 ASSI { 1493} (( segid " " and resid 886 and name H )) (( segid " " and resid 886 and name HB3 )) 3.500 1.500 1.500 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.19317E-02 ppm1 7.871 ppm2 2.176 CV 1 ASSI { 1495} (( segid " " and resid 886 and name H )) (( segid " " and resid 886 and name HB2 )) 2.800 1.000 1.000 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.12409E-02 ppm1 7.872 ppm2 2.023 CV 1 ASSI { 1496} (( segid " " and resid 886 and name H )) (( segid " " and resid 885 and name HB3 )) 3.200 1.300 1.300 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.12240E-02 ppm1 7.872 ppm2 1.960 CV 1 ASSI { 1497} (( segid " " and resid 886 and name H )) (( segid " " and resid 885 and name HB2 )) 3.100 1.200 1.200 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.13019E-02 ppm1 7.871 ppm2 1.783 CV 1 ASSI { 1502} (( segid " " and resid 886 and name HE21)) (( segid " " and resid 889 and name HD3 )) 4.400 2.500 1.600 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.28272E-03 ppm1 7.280 ppm2 3.135 CV 1 OR { 1502} (( segid " " and resid 886 and name HE21)) (( segid " " and resid 889 and name HD2 )) ASSI { 1503} (( segid " " and resid 886 and name HE21)) (( segid " " and resid 876 and name HA3 )) 3.100 1.200 1.200 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.58575E-03 ppm1 7.279 ppm2 3.867 CV 1 ASSI { 1504} (( segid " " and resid 886 and name HE21)) (( segid " " and resid 873 and name HA )) 3.200 1.200 1.200 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.10953E-02 ppm1 7.279 ppm2 4.107 CV 1 ASSI { 1506} (( segid " " and resid 886 and name HE21)) (( segid " " and resid 886 and name HE22)) 1.600 0.300 0.600 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.18524E-01 ppm1 7.279 ppm2 6.851 CV 1 ASSI { 1508} (( segid " " and resid 886 and name HE22)) (( segid " " and resid 889 and name HD3 )) 3.700 1.800 1.800 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.38430E-03 ppm1 6.850 ppm2 3.133 CV 1 ASSI { 1511} (( segid " " and resid 886 and name HE22)) (( segid " " and resid 876 and name HA3 )) 3.800 1.800 1.800 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.55021E-03 ppm1 6.849 ppm2 3.869 CV 1 ASSI { 1515} (( segid " " and resid 887 and name H )) (( segid " " and resid 887 and name HE21)) 5.000 3.100 1.000 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.27595E-03 ppm1 7.816 ppm2 7.339 CV 1 ASSI { 1518} (( segid " " and resid 887 and name H )) (( segid " " and resid 889 and name H )) 4.100 2.100 1.900 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.39784E-03 ppm1 7.815 ppm2 8.024 CV 1 ASSI { 1520} (( segid " " and resid 887 and name H )) (( segid " " and resid 884 and name HA )) 3.000 1.100 1.100 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.18825E-02 ppm1 7.816 ppm2 3.969 CV 1 ASSI { 1521} (( segid " " and resid 887 and name H )) (( segid " " and resid 887 and name HA )) 2.800 1.000 1.000 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.23142E-02 ppm1 7.816 ppm2 3.869 CV 1 ASSI { 1523} (( segid " " and resid 887 and name H )) (( segid " " and resid 887 and name HG3 )) 3.600 1.600 1.600 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.17979E-02 ppm1 7.816 ppm2 2.414 CV 1 ASSI { 1524} (( segid " " and resid 887 and name H )) (( segid " " and resid 886 and name HG3 )) 3.600 1.600 1.600 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.28780E-03 ppm1 7.816 ppm2 2.317 CV 1 ASSI { 1525} (( segid " " and resid 887 and name H )) (( segid " " and resid 887 and name HB2 )) 2.500 0.800 0.800 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.36686E-02 ppm1 7.816 ppm2 2.172 CV 1 ASSI { 1526} (( segid " " and resid 887 and name H )) (( segid " " and resid 886 and name HB2 )) 3.100 1.200 1.200 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.80416E-03 ppm1 7.816 ppm2 2.018 CV 1 ASSI { 1527} (( segid " " and resid 887 and name H )) (( segid " " and resid 885 and name HB2 )) 3.700 1.700 1.700 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.22516E-03 ppm1 7.816 ppm2 1.785 CV 1 ASSI { 1528} (( segid " " and resid 887 and name H )) ( segid " " and resid 877 and name HB% ) 4.500 2.500 1.500 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.25225E-03 ppm1 7.816 ppm2 1.243 CV 1 ASSI { 1532} (( segid " " and resid 887 and name HE21)) (( segid " " and resid 887 and name HB3 )) 4.400 2.400 1.600 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.38768E-03 ppm1 7.338 ppm2 2.177 CV 1 ASSI { 1533} (( segid " " and resid 887 and name HE21)) ( segid " " and resid 816 and name HE% ) 3.400 3.400 2.600 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.38768E-03 ppm1 7.338 ppm2 1.996 CV 1 ASSI { 1541} (( segid " " and resid 887 and name HE22)) ( segid " " and resid 816 and name HE% ) 3.200 1.300 1.300 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.53158E-03 ppm1 6.739 ppm2 1.994 CV 1 ASSI { 1542} (( segid " " and resid 887 and name HE22)) (( segid " " and resid 887 and name HG2 )) 3.800 1.800 1.800 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.13713E-02 ppm1 6.739 ppm2 2.598 CV 1 ASSI { 1543} (( segid " " and resid 887 and name HE22)) (( segid " " and resid 887 and name HG3 )) 4.100 2.100 1.900 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.84477E-03 ppm1 6.739 ppm2 2.415 CV 1 ASSI { 1544} (( segid " " and resid 887 and name HE22)) (( segid " " and resid 878 and name HA )) 3.600 1.700 1.700 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.45709E-03 ppm1 6.740 ppm2 3.952 CV 1 ASSI { 1545} (( segid " " and resid 887 and name HE22)) (( segid " " and resid 887 and name HA )) 4.400 2.400 1.600 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.31658E-03 ppm1 6.739 ppm2 3.866 CV 1 ASSI { 1546} (( segid " " and resid 887 and name HE22)) (( segid " " and resid 881 and name HA )) 3.600 1.600 1.600 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.52651E-03 ppm1 6.740 ppm2 4.458 CV 1 ASSI { 1547} (( segid " " and resid 902 and name HD22)) (( segid " " and resid 902 and name HA )) 4.400 2.500 1.600 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.37922E-03 ppm1 6.716 ppm2 4.431 CV 1 ASSI { 1548} (( segid " " and resid 887 and name HE22)) (( segid " " and resid 887 and name HE21)) 1.700 0.300 0.500 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.23554E-01 ppm1 6.740 ppm2 7.339 CV 1 ASSI { 1549} (( segid " " and resid 888 and name H )) (( segid " " and resid 889 and name H )) 2.700 0.900 0.900 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.27188E-02 ppm1 8.302 ppm2 8.024 CV 1 ASSI { 1551} (( segid " " and resid 888 and name H )) (( segid " " and resid 887 and name H )) 2.600 0.800 0.800 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.29068E-02 ppm1 8.302 ppm2 7.819 CV 1 ASSI { 1552} (( segid " " and resid 888 and name H )) (( segid " " and resid 888 and name HA )) 2.600 0.800 0.800 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.40207E-02 ppm1 8.302 ppm2 3.974 CV 1 ASSI { 1553} (( segid " " and resid 888 and name H )) (( segid " " and resid 887 and name HA )) 3.500 1.500 1.500 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.84306E-03 ppm1 8.302 ppm2 3.870 CV 1 ASSI { 1556} (( segid " " and resid 888 and name H )) (( segid " " and resid 887 and name HG2 )) 4.600 2.700 1.400 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.38937E-03 ppm1 8.302 ppm2 2.596 CV 1 ASSI { 1557} (( segid " " and resid 888 and name H )) (( segid " " and resid 891 and name HG3 )) 4.200 2.200 1.800 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.32674E-03 ppm1 8.302 ppm2 1.787 CV 1 ASSI { 1558} (( segid " " and resid 888 and name HE21)) (( segid " " and resid 892 and name HG3 )) 3.300 1.300 1.300 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.78042E-03 ppm1 7.727 ppm2 2.194 CV 1 ASSI { 1559} (( segid " " and resid 888 and name HE21)) (( segid " " and resid 888 and name HB3 )) 4.800 2.900 1.200 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.36906E-03 ppm1 7.727 ppm2 2.080 CV 1 ASSI { 1560} (( segid " " and resid 888 and name HE21)) (( segid " " and resid 892 and name HB2 )) 4.200 2.200 1.800 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.41477E-03 ppm1 7.727 ppm2 1.996 CV 1 ASSI { 1563} (( segid " " and resid 888 and name HE21)) (( segid " " and resid 888 and name HE22)) 1.500 0.300 0.700 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.45305E-01 ppm1 7.727 ppm2 6.766 CV 1 ASSI { 1565} (( segid " " and resid 888 and name HE22)) (( segid " " and resid 888 and name HG3 )) 3.900 1.900 1.900 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.15304E-02 ppm1 6.765 ppm2 2.369 CV 1 ASSI { 1566} (( segid " " and resid 888 and name HE22)) (( segid " " and resid 892 and name HG3 )) 4.500 2.500 1.500 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.41646E-03 ppm1 6.766 ppm2 2.195 CV 1 ASSI { 1567} (( segid " " and resid 889 and name H )) (( segid " " and resid 888 and name HB2 )) 3.800 1.800 1.800 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.15947E-02 ppm1 8.022 ppm2 2.177 CV 1 ASSI { 1568} (( segid " " and resid 889 and name H )) (( segid " " and resid 888 and name HB3 )) 2.600 0.900 0.900 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.20993E-02 ppm1 8.022 ppm2 2.086 CV 1 ASSI { 1569} (( segid " " and resid 889 and name H )) (( segid " " and resid 889 and name HB3 )) 3.100 1.200 1.200 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.29356E-02 ppm1 8.023 ppm2 1.954 CV 1 ASSI { 1576} (( segid " " and resid 889 and name H )) (( segid " " and resid 887 and name HA )) 4.200 2.200 1.800 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.29457E-03 ppm1 8.022 ppm2 3.869 CV 1 ASSI { 1577} (( segid " " and resid 889 and name H )) (( segid " " and resid 889 and name HD2 )) 4.500 2.500 1.500 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.54005E-03 ppm1 8.022 ppm2 3.134 CV 1 OR { 1577} (( segid " " and resid 889 and name H )) (( segid " " and resid 889 and name HD3 )) ASSI { 1580} (( segid " " and resid 889 and name H )) (( segid " " and resid 890 and name H )) 2.700 0.900 0.900 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.25783E-02 ppm1 8.023 ppm2 7.834 CV 1 ASSI { 1583} (( segid " " and resid 890 and name H )) (( segid " " and resid 890 and name HB2 )) 2.700 0.900 0.900 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.30422E-02 ppm1 7.835 ppm2 1.314 CV 1 ASSI { 1586} (( segid " " and resid 890 and name H )) ( segid " " and resid 890 and name HD2%) 4.400 2.400 1.600 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.85664E-03 ppm1 7.835 ppm2 0.519 CV 1 ASSI { 1587} (( segid " " and resid 890 and name H )) (( segid " " and resid 889 and name HG2 )) 4.800 2.900 1.200 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.25394E-03 ppm1 7.836 ppm2 1.648 CV 1 ASSI { 1589} (( segid " " and resid 890 and name H )) (( segid " " and resid 890 and name HB3 )) 2.500 0.800 0.800 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.31844E-02 ppm1 7.835 ppm2 2.096 CV 1 ASSI { 1590} (( segid " " and resid 890 and name H )) (( segid " " and resid 889 and name HB3 )) 3.600 1.600 1.600 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.12274E-02 ppm1 7.835 ppm2 1.953 CV 1 ASSI { 1593} (( segid " " and resid 890 and name H )) (( segid " " and resid 889 and name HA )) 3.400 1.500 1.500 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.86510E-03 ppm1 7.835 ppm2 4.049 CV 1 ASSI { 1595} (( segid " " and resid 890 and name H )) (( segid " " and resid 887 and name HA )) 3.200 1.300 1.300 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.11918E-02 ppm1 7.835 ppm2 3.869 CV 1 ASSI { 1596} (( segid " " and resid 890 and name H )) (( segid " " and resid 892 and name H )) 4.000 2.000 2.000 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.51804E-03 ppm1 7.835 ppm2 8.439 CV 1 ASSI { 1597} (( segid " " and resid 890 and name H )) (( segid " " and resid 888 and name H )) 4.100 2.100 1.900 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.35721E-03 ppm1 7.835 ppm2 8.303 CV 1 ASSI { 1598} (( segid " " and resid 890 and name H )) (( segid " " and resid 891 and name H )) 2.700 0.900 0.900 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.23159E-02 ppm1 7.835 ppm2 8.076 CV 1 ASSI { 1600} (( segid " " and resid 891 and name H )) (( segid " " and resid 892 and name H )) 2.600 0.900 0.900 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.26579E-02 ppm1 8.074 ppm2 8.442 CV 1 ASSI { 1602} (( segid " " and resid 891 and name H )) ( segid " " and resid 813 and name HE% ) 5.200 3.400 0.800 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.26918E-03 ppm1 8.074 ppm2 7.119 CV 1 ASSI { 1603} (( segid " " and resid 891 and name H )) (( segid " " and resid 813 and name HZ )) 4.900 3.000 1.100 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.32335E-03 ppm1 8.074 ppm2 7.025 CV 1 ASSI { 1604} (( segid " " and resid 891 and name H )) (( segid " " and resid 889 and name HA )) 3.900 1.900 1.900 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.38091E-03 ppm1 8.075 ppm2 4.040 CV 1 ASSI { 1606} (( segid " " and resid 891 and name H )) (( segid " " and resid 887 and name HA )) 4.000 2.000 2.000 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.45032E-03 ppm1 8.075 ppm2 3.869 CV 1 ASSI { 1608} (( segid " " and resid 891 and name H )) (( segid " " and resid 891 and name HD3 )) 5.200 3.400 0.800 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.24378E-03 ppm1 8.075 ppm2 3.079 CV 1 ASSI { 1609} (( segid " " and resid 891 and name H )) (( segid " " and resid 887 and name HB3 )) 4.000 2.000 2.000 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.33859E-03 ppm1 8.075 ppm2 2.181 CV 1 ASSI { 1610} (( segid " " and resid 891 and name H )) (( segid " " and resid 890 and name HB3 )) 2.700 0.900 0.900 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.19096E-02 ppm1 8.074 ppm2 2.094 CV 1 ASSI { 1611} (( segid " " and resid 891 and name H )) (( segid " " and resid 891 and name HB3 )) 3.400 1.500 1.500 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.27951E-02 ppm1 8.074 ppm2 2.011 CV 1 ASSI { 1612} (( segid " " and resid 891 and name H )) (( segid " " and resid 891 and name HB2 )) 2.700 0.900 0.900 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.19824E-02 ppm1 8.074 ppm2 1.915 CV 1 ASSI { 1616} (( segid " " and resid 891 and name H )) (( segid " " and resid 890 and name HB2 )) 3.900 1.900 1.900 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.99885E-03 ppm1 8.074 ppm2 1.314 CV 1 ASSI { 1618} (( segid " " and resid 891 and name H )) ( segid " " and resid 890 and name HD2%) 3.200 1.300 1.300 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.50111E-03 ppm1 8.074 ppm2 0.518 CV 1 ASSI { 1624} (( segid " " and resid 892 and name H )) (( segid " " and resid 893 and name HA )) 4.700 2.800 1.300 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.42154E-03 ppm1 8.445 ppm2 4.161 CV 1 ASSI { 1629} (( segid " " and resid 892 and name H )) ( segid " " and resid 893 and name HB% ) 4.500 2.500 1.500 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.56713E-03 ppm1 8.442 ppm2 1.409 CV 1 ASSI { 1630} (( segid " " and resid 893 and name H )) ( segid " " and resid 894 and name HB% ) 4.300 2.300 1.700 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.69409E-03 ppm1 8.427 ppm2 1.539 CV 1 ASSI { 1632} (( segid " " and resid 893 and name H )) ( segid " " and resid 873 and name HB% ) 4.000 2.000 2.000 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.72118E-03 ppm1 8.426 ppm2 1.353 CV 1 ASSI { 1633} (( segid " " and resid 893 and name H )) (( segid " " and resid 892 and name HG3 )) 4.900 3.000 1.100 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.32504E-03 ppm1 8.427 ppm2 2.193 CV 1 ASSI { 1634} (( segid " " and resid 893 and name H )) (( segid " " and resid 892 and name HB3 )) 3.500 1.600 1.600 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.17658E-02 ppm1 8.426 ppm2 2.075 CV 1 ASSI { 1635} (( segid " " and resid 893 and name H )) (( segid " " and resid 892 and name HB2 )) 2.900 1.100 1.100 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.16100E-02 ppm1 8.426 ppm2 1.999 CV 1 ASSI { 1638} (( segid " " and resid 893 and name H )) (( segid " " and resid 894 and name H )) 2.600 0.800 0.800 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.32640E-02 ppm1 8.426 ppm2 8.619 CV 1 ASSI { 1640} (( segid " " and resid 894 and name H )) (( segid " " and resid 896 and name H )) 3.900 1.900 1.900 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.55359E-03 ppm1 8.617 ppm2 8.107 CV 1 ASSI { 1641} (( segid " " and resid 894 and name H )) (( segid " " and resid 895 and name H )) 2.600 0.800 0.800 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.30727E-02 ppm1 8.617 ppm2 8.056 CV 1 ASSI { 1642} (( segid " " and resid 894 and name H )) ( segid " " and resid 813 and name HE% ) 5.500 3.700 0.500 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.22516E-03 ppm1 8.617 ppm2 7.120 CV 1 ASSI { 1643} (( segid " " and resid 894 and name H )) (( segid " " and resid 813 and name HZ )) 4.200 2.200 1.800 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.53328E-03 ppm1 8.617 ppm2 7.025 CV 1 ASSI { 1644} (( segid " " and resid 894 and name H )) (( segid " " and resid 894 and name HA )) 2.500 0.800 0.800 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.40766E-02 ppm1 8.617 ppm2 4.160 CV 1 ASSI { 1645} (( segid " " and resid 894 and name H )) (( segid " " and resid 891 and name HA )) 3.100 1.200 1.200 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.15694E-02 ppm1 8.617 ppm2 3.982 CV 1 ASSI { 1646} (( segid " " and resid 894 and name H )) (( segid " " and resid 895 and name HB2 )) 4.700 2.700 1.300 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.35552E-03 ppm1 8.617 ppm2 2.140 CV 1 ASSI { 1647} (( segid " " and resid 894 and name H )) (( segid " " and resid 892 and name HB3 )) 4.400 2.400 1.600 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.39784E-03 ppm1 8.616 ppm2 2.067 CV 1 ASSI { 1655} (( segid " " and resid 895 and name H )) ( segid " " and resid 893 and name HB% ) 3.400 1.400 1.400 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.39615E-03 ppm1 8.054 ppm2 1.408 CV 1 ASSI { 1661} (( segid " " and resid 895 and name H )) ( segid " " and resid 813 and name HE% ) 3.600 1.700 1.700 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.25056E-03 ppm1 8.053 ppm2 7.120 CV 1 ASSI { 1662} (( segid " " and resid 895 and name H )) (( segid " " and resid 813 and name HZ )) 4.100 2.100 1.900 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.28950E-03 ppm1 8.053 ppm2 7.025 CV 1 ASSI { 1664} (( segid " " and resid 895 and name H )) (( segid " " and resid 893 and name H )) 3.700 1.700 1.700 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.63315E-03 ppm1 8.053 ppm2 8.433 CV 1 ASSI { 1665} (( segid " " and resid 895 and name H )) (( segid " " and resid 898 and name H )) 4.500 2.500 1.500 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.23701E-03 ppm1 8.053 ppm2 8.685 CV 1 ASSI { 1666} (( segid " " and resid 896 and name H )) (( segid " " and resid 898 and name H )) 4.500 2.600 1.500 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.27426E-03 ppm1 8.113 ppm2 8.686 CV 1 ASSI { 1668} (( segid " " and resid 896 and name H )) (( segid " " and resid 893 and name H )) 4.300 2.300 1.700 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.26748E-03 ppm1 8.112 ppm2 8.431 CV 1 ASSI { 1670} (( segid " " and resid 896 and name H )) (( segid " " and resid 892 and name HA )) 3.900 1.900 1.900 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.52989E-03 ppm1 8.113 ppm2 4.017 CV 1 ASSI { 1673} (( segid " " and resid 896 and name H )) (( segid " " and resid 895 and name HG2 )) 4.800 2.800 1.200 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.38260E-03 ppm1 8.112 ppm2 2.286 CV 1 OR { 1673} (( segid " " and resid 896 and name H )) (( segid " " and resid 895 and name HG3 )) ASSI { 1676} (( segid " " and resid 896 and name H )) (( segid " " and resid 897 and name HB3 )) 5.000 3.200 1.000 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.25563E-03 ppm1 8.113 ppm2 1.994 CV 1 ASSI { 1677} (( segid " " and resid 896 and name H )) ( segid " " and resid 894 and name HB% ) 4.800 2.900 1.200 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.25394E-03 ppm1 8.113 ppm2 1.538 CV 1 ASSI { 1678} (( segid " " and resid 896 and name H )) ( segid " " and resid 893 and name HB% ) 3.400 1.500 1.500 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.36906E-03 ppm1 8.112 ppm2 1.403 CV 1 ASSI { 1681} (( segid " " and resid 897 and name H )) ( segid " " and resid 894 and name HB% ) 4.400 2.400 1.600 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.38430E-03 ppm1 8.085 ppm2 1.538 CV 1 ASSI { 1683} (( segid " " and resid 897 and name H )) (( segid " " and resid 897 and name HB2 )) 2.600 0.800 0.800 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.26884E-02 ppm1 8.085 ppm2 1.308 CV 1 ASSI { 1684} (( segid " " and resid 897 and name H )) (( segid " " and resid 897 and name HB3 )) 2.500 0.800 0.800 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.28966E-02 ppm1 8.085 ppm2 1.995 CV 1 ASSI { 1687} (( segid " " and resid 897 and name H )) (( segid " " and resid 896 and name HA3 )) 3.100 1.200 1.200 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.12630E-02 ppm1 8.085 ppm2 3.930 CV 1 ASSI { 1688} (( segid " " and resid 897 and name H )) (( segid " " and resid 896 and name HA2 )) 3.700 1.700 1.700 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.99039E-03 ppm1 8.086 ppm2 3.873 CV 1 ASSI { 1689} (( segid " " and resid 897 and name H )) (( segid " " and resid 898 and name HA )) 5.100 3.200 0.900 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.24717E-03 ppm1 8.084 ppm2 3.777 CV 1 ASSI { 1690} (( segid " " and resid 897 and name H )) (( segid " " and resid 898 and name H )) 2.700 0.900 0.900 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.23430E-02 ppm1 8.085 ppm2 8.687 CV 1 ASSI { 1691} (( segid " " and resid 897 and name H )) (( segid " " and resid 894 and name H )) 4.400 2.400 1.600 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.24886E-03 ppm1 8.086 ppm2 8.618 CV 1 ASSI { 1692} (( segid " " and resid 898 and name H )) (( segid " " and resid 899 and name H )) 2.500 0.800 0.800 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.33436E-02 ppm1 8.685 ppm2 8.065 CV 1 ASSI { 1694} (( segid " " and resid 898 and name H )) (( segid " " and resid 895 and name HA )) 3.000 1.100 1.100 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.18369E-02 ppm1 8.684 ppm2 4.137 CV 1 ASSI { 1695} (( segid " " and resid 898 and name H )) (( segid " " and resid 898 and name HD3 )) 4.600 2.700 1.400 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.52989E-03 ppm1 8.685 ppm2 3.126 CV 1 OR { 1695} (( segid " " and resid 898 and name H )) (( segid " " and resid 898 and name HD2 )) ASSI { 1696} (( segid " " and resid 898 and name H )) (( segid " " and resid 899 and name HB3 )) 5.000 3.200 1.000 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.28950E-03 ppm1 8.685 ppm2 2.160 CV 1 ASSI { 1697} (( segid " " and resid 898 and name H )) (( segid " " and resid 899 and name HB2 )) 5.200 3.300 0.800 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.23024E-03 ppm1 8.684 ppm2 2.088 CV 1 ASSI { 1698} (( segid " " and resid 898 and name H )) (( segid " " and resid 897 and name HB3 )) 2.800 1.000 1.000 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.14965E-02 ppm1 8.685 ppm2 1.986 CV 1 ASSI { 1699} (( segid " " and resid 898 and name H )) (( segid " " and resid 898 and name HB3 )) 2.700 0.900 0.900 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.21433E-02 ppm1 8.685 ppm2 1.937 CV 1 ASSI { 1700} (( segid " " and resid 898 and name H )) (( segid " " and resid 898 and name HB2 )) 2.600 0.900 0.900 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.23769E-02 ppm1 8.685 ppm2 1.898 CV 1 ASSI { 1701} (( segid " " and resid 898 and name H )) (( segid " " and resid 898 and name HG3 )) 3.800 1.800 1.800 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.14661E-02 ppm1 8.684 ppm2 1.736 CV 1 ASSI { 1702} (( segid " " and resid 898 and name H )) ( segid " " and resid 894 and name HB% ) 3.700 1.700 1.700 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.24209E-03 ppm1 8.684 ppm2 1.538 CV 1 ASSI { 1709} (( segid " " and resid 899 and name H )) (( segid " " and resid 898 and name HB3 )) 2.800 1.000 1.000 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.14847E-02 ppm1 8.053 ppm2 1.937 CV 1 ASSI { 1710} (( segid " " and resid 899 and name H )) (( segid " " and resid 898 and name HB2 )) 3.700 1.700 1.700 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.14373E-02 ppm1 8.053 ppm2 1.901 CV 1 ASSI { 1713} (( segid " " and resid 899 and name H )) ( segid " " and resid 900 and name HB% ) 4.400 2.400 1.600 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.62469E-03 ppm1 8.053 ppm2 1.390 CV 1 ASSI { 1715} (( segid " " and resid 899 and name H )) (( segid " " and resid 899 and name HB3 )) 2.700 0.900 0.900 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.31844E-02 ppm1 8.053 ppm2 2.169 CV 1 ASSI { 1717} (( segid " " and resid 899 and name H )) (( segid " " and resid 899 and name HG2 )) 3.600 1.600 1.600 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.16540E-02 ppm1 8.053 ppm2 2.725 CV 1 ASSI { 1718} (( segid " " and resid 899 and name H )) (( segid " " and resid 899 and name HG3 )) 3.600 1.700 1.700 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.13425E-02 ppm1 8.053 ppm2 2.564 CV 1 ASSI { 1719} (( segid " " and resid 899 and name H )) (( segid " " and resid 896 and name HA3 )) 4.700 2.800 1.300 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.35552E-03 ppm1 8.053 ppm2 3.930 CV 1 ASSI { 1720} (( segid " " and resid 899 and name H )) (( segid " " and resid 896 and name HA2 )) 3.500 1.600 1.600 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.56036E-03 ppm1 8.053 ppm2 3.871 CV 1 ASSI { 1721} (( segid " " and resid 899 and name H )) (( segid " " and resid 898 and name HA )) 3.500 1.500 1.500 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.81768E-03 ppm1 8.053 ppm2 3.777 CV 1 ASSI { 1722} (( segid " " and resid 899 and name H )) (( segid " " and resid 898 and name HD3 )) 3.600 1.600 1.600 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.27764E-03 ppm1 8.053 ppm2 3.125 CV 1 OR { 1722} (( segid " " and resid 899 and name H )) (( segid " " and resid 898 and name HD2 )) ASSI { 1723} (( segid " " and resid 899 and name H )) (( segid " " and resid 899 and name HA )) 2.600 0.900 0.900 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.35823E-02 ppm1 8.053 ppm2 4.160 CV 1 ASSI { 1725} (( segid " " and resid 899 and name H )) (( segid " " and resid 901 and name H )) 4.300 2.300 1.700 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.35383E-03 ppm1 8.053 ppm2 8.439 CV 1 ASSI { 1726} (( segid " " and resid 900 and name H )) (( segid " " and resid 898 and name H )) 4.100 2.100 1.900 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.42493E-03 ppm1 8.054 ppm2 8.687 CV 1 ASSI { 1727} (( segid " " and resid 900 and name H )) (( segid " " and resid 901 and name H )) 2.700 0.900 0.900 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.26342E-02 ppm1 8.054 ppm2 8.437 CV 1 ASSI { 1729} (( segid " " and resid 900 and name H )) (( segid " " and resid 899 and name HA )) 3.200 1.300 1.300 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.13882E-02 ppm1 8.053 ppm2 4.154 CV 1 ASSI { 1730} (( segid " " and resid 900 and name H )) (( segid " " and resid 897 and name HA )) 2.800 1.000 1.000 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.18825E-02 ppm1 8.054 ppm2 4.113 CV 1 ASSI { 1732} (( segid " " and resid 900 and name H )) (( segid " " and resid 863 and name HA )) 5.200 3.400 0.800 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.39615E-03 ppm1 8.053 ppm2 3.904 CV 1 ASSI { 1733} (( segid " " and resid 900 and name H )) (( segid " " and resid 898 and name HA )) 4.200 2.200 1.800 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.30304E-03 ppm1 8.053 ppm2 3.778 CV 1 ASSI { 1734} (( segid " " and resid 900 and name H )) (( segid " " and resid 901 and name HA )) 4.900 3.000 1.100 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.27595E-03 ppm1 8.054 ppm2 3.699 CV 1 ASSI { 1735} (( segid " " and resid 900 and name H )) (( segid " " and resid 899 and name HG2 )) 4.200 2.200 1.800 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.38430E-03 ppm1 8.053 ppm2 2.723 CV 1 ASSI { 1736} (( segid " " and resid 900 and name H )) (( segid " " and resid 899 and name HG3 )) 4.600 2.700 1.400 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.31997E-03 ppm1 8.053 ppm2 2.563 CV 1 ASSI { 1737} (( segid " " and resid 900 and name H )) (( segid " " and resid 899 and name HB3 )) 2.900 1.000 1.000 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.17471E-02 ppm1 8.053 ppm2 2.169 CV 1 ASSI { 1738} (( segid " " and resid 900 and name H )) (( segid " " and resid 899 and name HB2 )) 3.500 1.500 1.500 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.14729E-02 ppm1 8.053 ppm2 2.092 CV 1 ASSI { 1740} (( segid " " and resid 900 and name H )) ( segid " " and resid 901 and name HG2%) 5.100 3.300 0.900 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.24378E-03 ppm1 8.052 ppm2 1.086 CV 1 ASSI { 1742} (( segid " " and resid 900 and name H )) ( segid " " and resid 897 and name HD2%) 4.200 2.200 1.800 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.44186E-03 ppm1 8.053 ppm2 0.813 CV 1 ASSI { 1744} (( segid " " and resid 901 and name H )) ( segid " " and resid 897 and name HD1%) 4.200 2.300 1.800 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.25056E-03 ppm1 8.436 ppm2 0.865 CV 1 ASSI { 1745} (( segid " " and resid 901 and name H )) ( segid " " and resid 897 and name HD2%) 3.500 1.500 1.500 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.72118E-03 ppm1 8.435 ppm2 0.812 CV 1 ASSI { 1748} (( segid " " and resid 901 and name H )) ( segid " " and resid 900 and name HB% ) 2.800 1.000 1.000 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.23142E-02 ppm1 8.435 ppm2 1.391 CV 1 ASSI { 1752} (( segid " " and resid 901 and name H )) (( segid " " and resid 901 and name HB )) 2.300 0.700 0.700 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.59795E-02 ppm1 8.435 ppm2 4.125 CV 1 ASSI { 1754} (( segid " " and resid 901 and name H )) (( segid " " and resid 902 and name H )) 2.700 0.900 0.900 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.22973E-02 ppm1 8.435 ppm2 7.962 CV 1 ASSI { 1757} (( segid " " and resid 902 and name H )) (( segid " " and resid 903 and name H )) 2.600 0.800 0.800 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.31489E-02 ppm1 7.961 ppm2 7.898 CV 1 ASSI { 1758} (( segid " " and resid 902 and name H )) (( segid " " and resid 905 and name H )) 4.400 2.400 1.600 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.26240E-03 ppm1 7.962 ppm2 7.827 CV 1 ASSI { 1759} (( segid " " and resid 902 and name H )) (( segid " " and resid 904 and name H )) 4.100 2.100 1.900 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.42493E-03 ppm1 7.961 ppm2 7.723 CV 1 ASSI { 1760} (( segid " " and resid 902 and name H )) (( segid " " and resid 900 and name H )) 3.700 1.700 1.700 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.65178E-03 ppm1 7.961 ppm2 8.055 CV 1 ASSI { 1761} (( segid " " and resid 902 and name H )) (( segid " " and resid 902 and name HD21)) 4.700 2.800 1.300 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.49942E-03 ppm1 7.960 ppm2 7.412 CV 1 ASSI { 1762} (( segid " " and resid 902 and name H )) (( segid " " and resid 902 and name HD22)) 5.900 4.400 0.100 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.28950E-03 ppm1 7.960 ppm2 6.717 CV 1 ASSI { 1764} (( segid " " and resid 902 and name H )) (( segid " " and resid 898 and name HA )) 3.600 1.600 1.600 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.56713E-03 ppm1 7.961 ppm2 3.777 CV 1 ASSI { 1766} (( segid " " and resid 902 and name H )) (( segid " " and resid 902 and name HB2 )) 2.400 0.700 0.700 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.37363E-02 ppm1 7.961 ppm2 2.800 CV 1 ASSI { 1770} (( segid " " and resid 902 and name H )) ( segid " " and resid 904 and name HB% ) 4.800 2.900 1.200 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.18961E-03 ppm1 7.961 ppm2 1.300 CV 1 ASSI { 1771} (( segid " " and resid 902 and name H )) ( segid " " and resid 802 and name HG2%) 5.000 3.200 1.000 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.17268E-03 ppm1 7.961 ppm2 1.163 CV 1 ASSI { 1775} (( segid " " and resid 902 and name H )) ( segid " " and resid 863 and name HD1%) 3.600 1.600 1.600 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.26410E-03 ppm1 7.960 ppm2 0.699 CV 1 ASSI { 1776} (( segid " " and resid 902 and name HD22)) (( segid " " and resid 898 and name HG2 )) 3.500 3.500 2.500 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.34197E-03 ppm1 6.716 ppm2 1.458 CV 1 ASSI { 1778} (( segid " " and resid 902 and name HD22)) ( segid " " and resid 806 and name HD1%) 3.300 1.300 1.300 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.48079E-03 ppm1 6.716 ppm2 0.805 CV 1 ASSI { 1782} (( segid " " and resid 902 and name HD22)) (( segid " " and resid 902 and name HD21)) 1.700 0.300 0.500 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.24493E-01 ppm1 6.716 ppm2 7.412 CV 1 ASSI { 1785} (( segid " " and resid 902 and name HD21)) (( segid " " and resid 898 and name HG2 )) 3.600 1.600 1.600 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.30811E-03 ppm1 7.411 ppm2 1.458 CV 1 ASSI { 1788} (( segid " " and resid 902 and name HD21)) (( segid " " and resid 899 and name HA )) 3.800 1.800 1.800 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.82109E-03 ppm1 7.411 ppm2 4.161 CV 1 ASSI { 1794} (( segid " " and resid 904 and name H )) ( segid " " and resid 901 and name HG2%) 4.400 2.400 1.600 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.23870E-03 ppm1 7.722 ppm2 1.085 CV 1 ASSI { 1797} (( segid " " and resid 904 and name H )) (( segid " " and resid 907 and name HB2 )) 4.600 2.600 1.400 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.27933E-03 ppm1 7.722 ppm2 2.714 CV 1 ASSI { 1804} (( segid " " and resid 904 and name H )) (( segid " " and resid 905 and name H )) 2.600 0.800 0.800 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.35433E-02 ppm1 7.723 ppm2 7.824 CV 1 ASSI { 1805} (( segid " " and resid 904 and name H )) (( segid " " and resid 901 and name H )) 4.400 2.500 1.600 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.21162E-03 ppm1 7.721 ppm2 8.437 CV 1 ASSI { 1809} (( segid " " and resid 905 and name H )) (( segid " " and resid 903 and name HA )) 3.900 1.900 1.900 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.45540E-03 ppm1 7.821 ppm2 4.080 CV 1 ASSI { 1810} (( segid " " and resid 905 and name H )) (( segid " " and resid 904 and name HA )) 3.200 1.300 1.300 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.11444E-02 ppm1 7.821 ppm2 3.927 CV 1 ASSI { 1811} (( segid " " and resid 905 and name H )) (( segid " " and resid 901 and name HA )) 3.800 1.800 1.800 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.47064E-03 ppm1 7.821 ppm2 3.698 CV 1 ASSI { 1812} (( segid " " and resid 905 and name H )) ( segid " " and resid 905 and name HB% ) 2.300 0.700 0.700 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.72171E-02 ppm1 7.821 ppm2 1.512 CV 1 ASSI { 1813} (( segid " " and resid 905 and name H )) ( segid " " and resid 903 and name HB% ) 4.500 2.500 1.500 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.49095E-03 ppm1 7.820 ppm2 1.417 CV 1 ASSI { 1816} (( segid " " and resid 905 and name H )) ( segid " " and resid 901 and name HG2%) 4.200 2.200 1.800 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.30304E-03 ppm1 7.821 ppm2 1.087 CV 1 ASSI { 1817} (( segid " " and resid 906 and name H )) (( segid " " and resid 906 and name HG2 )) 3.000 1.100 1.100 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.21602E-02 ppm1 7.826 ppm2 2.405 CV 1 OR { 1817} (( segid " " and resid 906 and name H )) (( segid " " and resid 906 and name HG3 )) ASSI { 1818} (( segid " " and resid 906 and name H )) (( segid " " and resid 906 and name HB2 )) 2.700 0.900 0.900 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.18335E-02 ppm1 7.826 ppm2 2.105 CV 1 ASSI { 1819} (( segid " " and resid 906 and name H )) (( segid " " and resid 906 and name HB3 )) 3.400 1.400 1.400 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.29237E-02 ppm1 7.826 ppm2 2.032 CV 1 ASSI { 1820} (( segid " " and resid 906 and name H )) ( segid " " and resid 905 and name HB% ) 2.800 0.900 0.900 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.25140E-02 ppm1 7.826 ppm2 1.512 CV 1 ASSI { 1821} (( segid " " and resid 906 and name H )) ( segid " " and resid 903 and name HB% ) 4.600 2.700 1.400 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.32335E-03 ppm1 7.825 ppm2 1.419 CV 1 ASSI { 1822} (( segid " " and resid 906 and name H )) ( segid " " and resid 904 and name HB% ) 4.600 2.600 1.400 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.36906E-03 ppm1 7.825 ppm2 1.299 CV 1 ASSI { 1823} (( segid " " and resid 906 and name H )) (( segid " " and resid 907 and name HB2 )) 4.800 2.900 1.200 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.33351E-03 ppm1 7.826 ppm2 2.717 CV 1 ASSI { 1824} (( segid " " and resid 906 and name H )) (( segid " " and resid 907 and name HA )) 5.400 3.600 0.600 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.20823E-03 ppm1 7.827 ppm2 4.605 CV 1 ASSI { 1825} (( segid " " and resid 906 and name H )) (( segid " " and resid 902 and name HA )) 4.200 2.200 1.800 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.39445E-03 ppm1 7.826 ppm2 4.431 CV 1 ASSI { 1826} (( segid " " and resid 906 and name H )) (( segid " " and resid 905 and name HA )) 3.300 1.300 1.300 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.13747E-02 ppm1 7.826 ppm2 4.172 CV 1 ASSI { 1828} (( segid " " and resid 906 and name H )) (( segid " " and resid 904 and name HA )) 4.300 2.300 1.700 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.28272E-03 ppm1 7.827 ppm2 3.926 CV 1 ASSI { 1829} (( segid " " and resid 906 and name HE21)) (( segid " " and resid 906 and name HE22)) 1.500 0.300 0.700 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.53143E-01 ppm1 7.392 ppm2 6.756 CV 1 ASSI { 1832} (( segid " " and resid 906 and name HE22)) (( segid " " and resid 906 and name HG2 )) 3.900 1.900 1.900 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.11478E-02 ppm1 6.756 ppm2 2.402 CV 1 OR { 1832} (( segid " " and resid 906 and name HE22)) (( segid " " and resid 906 and name HG3 )) ASSI { 1835} (( segid " " and resid 907 and name H )) (( segid " " and resid 907 and name HD22)) 4.400 2.400 1.600 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.38091E-03 ppm1 7.826 ppm2 6.875 CV 1 ASSI { 1837} (( segid " " and resid 907 and name H )) (( segid " " and resid 908 and name HA )) 5.200 3.400 0.800 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.18453E-03 ppm1 7.826 ppm2 4.262 CV 1 ASSI { 1838} (( segid " " and resid 907 and name H )) (( segid " " and resid 905 and name HA )) 4.200 2.200 1.800 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.30473E-03 ppm1 7.828 ppm2 4.174 CV 1 ASSI { 1839} (( segid " " and resid 907 and name H )) (( segid " " and resid 906 and name HA )) 3.100 1.200 1.200 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.18436E-02 ppm1 7.827 ppm2 4.110 CV 1 ASSI { 1840} (( segid " " and resid 907 and name H )) (( segid " " and resid 904 and name HA )) 3.600 1.600 1.600 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.56375E-03 ppm1 7.827 ppm2 3.928 CV 1 ASSI { 1842} (( segid " " and resid 907 and name H )) (( segid " " and resid 906 and name HG3 )) 4.800 2.800 1.200 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.34197E-03 ppm1 7.828 ppm2 2.406 CV 1 OR { 1842} (( segid " " and resid 907 and name H )) (( segid " " and resid 906 and name HG2 )) ASSI { 1843} (( segid " " and resid 907 and name H )) (( segid " " and resid 906 and name HB2 )) 3.400 1.400 1.400 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.71948E-03 ppm1 7.827 ppm2 2.105 CV 1 ASSI { 1844} (( segid " " and resid 907 and name H )) (( segid " " and resid 906 and name HB3 )) 3.900 1.900 1.900 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.75339E-03 ppm1 7.827 ppm2 2.033 CV 1 ASSI { 1845} (( segid " " and resid 907 and name H )) ( segid " " and resid 905 and name HB% ) 3.500 1.500 1.500 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.34028E-03 ppm1 7.828 ppm2 1.509 CV 1 ASSI { 1846} (( segid " " and resid 907 and name H )) ( segid " " and resid 903 and name HB% ) 4.700 2.700 1.300 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.22008E-03 ppm1 7.827 ppm2 1.420 CV 1 ASSI { 1847} (( segid " " and resid 907 and name H )) ( segid " " and resid 908 and name HB% ) 4.600 2.600 1.400 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.48079E-03 ppm1 7.827 ppm2 1.286 CV 1 ASSI { 1849} (( segid " " and resid 907 and name HD22)) (( segid " " and resid 907 and name HB2 )) 3.600 1.700 1.700 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.21382E-02 ppm1 6.873 ppm2 2.718 CV 1 ASSI { 1852} (( segid " " and resid 907 and name HD22)) (( segid " " and resid 907 and name HD21)) 1.600 0.300 0.600 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.23501E-01 ppm1 6.873 ppm2 7.418 CV 1 ASSI { 1854} (( segid " " and resid 907 and name HD21)) (( segid " " and resid 907 and name H )) 3.600 1.600 1.600 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.93956E-03 ppm1 7.416 ppm2 7.828 CV 1 ASSI { 1857} (( segid " " and resid 907 and name HD21)) (( segid " " and resid 903 and name HA )) 4.500 2.500 1.500 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.31320E-03 ppm1 7.416 ppm2 4.076 CV 1 ASSI { 1861} (( segid " " and resid 907 and name HD21)) ( segid " " and resid 904 and name HB% ) 4.700 2.800 1.300 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.31489E-03 ppm1 7.417 ppm2 1.299 CV 1 ASSI { 1862} (( segid " " and resid 907 and name HD21)) ( segid " " and resid 856 and name HD2%) 3.500 1.500 1.500 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.31489E-03 ppm1 7.416 ppm2 0.958 CV 1 ASSI { 1864} (( segid " " and resid 908 and name H )) ( segid " " and resid 856 and name HD2%) 4.200 2.200 1.800 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.29288E-03 ppm1 7.786 ppm2 0.959 CV 1 ASSI { 1865} (( segid " " and resid 908 and name H )) ( segid " " and resid 905 and name HB% ) 3.600 1.600 1.600 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.29119E-03 ppm1 7.784 ppm2 1.513 CV 1 ASSI { 1867} (( segid " " and resid 908 and name H )) (( segid " " and resid 905 and name HA )) 3.800 1.800 1.800 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.44694E-03 ppm1 7.785 ppm2 4.171 CV 1 ASSI { 1868} (( segid " " and resid 908 and name H )) (( segid " " and resid 906 and name HA )) 3.700 1.700 1.700 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.49942E-03 ppm1 7.785 ppm2 4.108 CV 1 ASSI { 1870} (( segid " " and resid 908 and name H )) ( segid " " and resid 798 and name HD% ) 4.800 2.800 1.200 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.24717E-03 ppm1 7.785 ppm2 6.927 CV 1 ASSI { 1871} (( segid " " and resid 908 and name H )) ( segid " " and resid 798 and name HE% ) 5.000 3.100 1.000 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.22855E-03 ppm1 7.785 ppm2 6.536 CV 1 ASSI { 1872} (( segid " " and resid 909 and name H )) (( segid " " and resid 910 and name H )) 3.700 1.700 1.700 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.13662E-02 ppm1 7.739 ppm2 8.381 CV 1 ASSI { 1873} (( segid " " and resid 909 and name H )) ( segid " " and resid 798 and name HE% ) 3.700 1.700 1.700 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.21500E-03 ppm1 7.739 ppm2 6.537 CV 1 ASSI { 1874} (( segid " " and resid 909 and name H )) (( segid " " and resid 907 and name HA )) 3.400 3.400 2.600 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.40969E-03 ppm1 7.738 ppm2 4.606 CV 1 ASSI { 1877} (( segid " " and resid 909 and name H )) (( segid " " and resid 907 and name HB3 )) 3.600 1.600 1.600 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.26071E-03 ppm1 7.738 ppm2 2.718 CV 1 OR { 1877} (( segid " " and resid 909 and name H )) (( segid " " and resid 907 and name HB2 )) ASSI { 1882} (( segid " " and resid 909 and name H )) ( segid " " and resid 856 and name HD2%) 3.400 1.400 1.400 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.40123E-03 ppm1 7.738 ppm2 0.958 CV 1 ASSI { 1885} (( segid " " and resid 910 and name H )) (( segid " " and resid 910 and name HG2 )) 3.500 1.500 1.500 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.91928E-03 ppm1 8.379 ppm2 1.372 CV 1 ASSI { 1887} (( segid " " and resid 910 and name H )) (( segid " " and resid 909 and name HG12)) 5.000 3.200 1.000 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.31658E-03 ppm1 8.378 ppm2 1.109 CV 1 ASSI { 1893} (( segid " " and resid 910 and name H )) (( segid " " and resid 910 and name HA )) 2.700 0.900 0.900 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.33029E-02 ppm1 8.379 ppm2 4.256 CV 1 ASSI { 1894} (( segid " " and resid 910 and name H )) (( segid " " and resid 911 and name H )) 3.600 1.600 1.600 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.15186E-02 ppm1 8.379 ppm2 7.974 CV 1 ASSI { 1899} (( segid " " and resid 911 and name H )) (( segid " " and resid 911 and name HB2 )) 3.100 1.200 1.200 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.14965E-02 ppm1 7.974 ppm2 1.738 CV 1 ASSI { 1902} (( segid " " and resid 911 and name H )) (( segid " " and resid 911 and name HG3 )) 2.900 1.100 1.100 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.19706E-02 ppm1 7.973 ppm2 1.302 CV 1 ASSI { 1906} (( segid " " and resid 810 and name H )) (( segid " " and resid 811 and name HA )) 3.900 1.900 1.900 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.98869E-03 ppm1 7.441 ppm2 4.454 CV 1 ASSI { 1923} (( segid " " and resid 902 and name H )) (( segid " " and resid 901 and name HB )) 2.400 0.700 0.700 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.39191E-02 ppm1 7.961 ppm2 4.126 CV 1 ASSI { 1} ( segid " " and resid 798 and name HD% ) ( segid " " and resid 798 and name HE% ) 2.100 0.500 0.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.13226E-01 ppm1 6.941 ppm2 6.548 CV 1 ASSI { 6} ( segid " " and resid 798 and name HD% ) (( segid " " and resid 908 and name HA )) 3.700 1.700 1.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.67082E-03 ppm1 6.940 ppm2 4.263 CV 1 ASSI { 9} ( segid " " and resid 798 and name HE% ) (( segid " " and resid 840 and name HA )) 3.300 1.300 1.300 peak 9 spectrum 1 weight 0.10000E+01 volume 0.10828E-02 ppm1 6.546 ppm2 3.739 CV 1 ASSI { 12} ( segid " " and resid 798 and name HD% ) (( segid " " and resid 798 and name HB3 )) 2.700 0.900 0.900 peak 12 spectrum 1 weight 0.10000E+01 volume 0.34060E-02 ppm1 6.937 ppm2 2.751 CV 1 ASSI { 13} ( segid " " and resid 798 and name HE% ) (( segid " " and resid 798 and name HB3 )) 3.800 1.800 1.800 peak 13 spectrum 1 weight 0.10000E+01 volume 0.14076E-02 ppm1 6.544 ppm2 2.740 CV 1 ASSI { 15} ( segid " " and resid 798 and name HE% ) (( segid " " and resid 840 and name HG13)) 3.300 1.400 1.400 peak 15 spectrum 1 weight 0.10000E+01 volume 0.13346E-02 ppm1 6.545 ppm2 1.392 CV 1 ASSI { 17} ( segid " " and resid 798 and name HE% ) (( segid " " and resid 797 and name HB3 )) 3.700 1.700 1.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.44487E-03 ppm1 6.545 ppm2 1.143 CV 1 ASSI { 18} ( segid " " and resid 798 and name HE% ) (( segid " " and resid 797 and name HG2 )) 3.100 3.100 2.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.99803E-03 ppm1 6.546 ppm2 1.061 CV 1 ASSI { 20} ( segid " " and resid 798 and name HE% ) ( segid " " and resid 840 and name HG2%) 3.500 1.600 1.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.99568E-03 ppm1 6.546 ppm2 0.801 CV 1 ASSI { 22} ( segid " " and resid 798 and name HE% ) (( segid " " and resid 840 and name HG12)) 3.000 1.100 1.100 peak 22 spectrum 1 weight 0.10000E+01 volume 0.15606E-02 ppm1 6.545 ppm2 0.336 CV 1 OR { 22} ( segid " " and resid 798 and name HE% ) ( segid " " and resid 840 and name HD1%) ASSI { 24} ( segid " " and resid 798 and name HD% ) (( segid " " and resid 840 and name HG12)) 3.500 1.500 1.500 peak 24 spectrum 1 weight 0.10000E+01 volume 0.68263E-03 ppm1 6.941 ppm2 0.332 CV 1 OR { 24} ( segid " " and resid 798 and name HD% ) ( segid " " and resid 840 and name HD1%) ASSI { 26} ( segid " " and resid 798 and name HD% ) (( segid " " and resid 840 and name HG13)) 3.500 1.500 1.500 peak 26 spectrum 1 weight 0.10000E+01 volume 0.84265E-03 ppm1 6.938 ppm2 1.392 CV 1 ASSI { 27} ( segid " " and resid 798 and name HD% ) ( segid " " and resid 904 and name HB% ) 3.000 1.100 1.100 peak 27 spectrum 1 weight 0.10000E+01 volume 0.18007E-02 ppm1 6.938 ppm2 1.296 CV 1 ASSI { 29} ( segid " " and resid 798 and name HD% ) (( segid " " and resid 797 and name HG2 )) 3.300 1.400 1.400 peak 29 spectrum 1 weight 0.10000E+01 volume 0.67082E-03 ppm1 6.937 ppm2 1.062 CV 1 OR { 29} ( segid " " and resid 798 and name HD% ) (( segid " " and resid 797 and name HG3 )) ASSI { 31} ( segid " " and resid 813 and name HD% ) ( segid " " and resid 890 and name HD2%) 3.400 1.400 1.400 peak 31 spectrum 1 weight 0.10000E+01 volume 0.11345E-02 ppm1 7.338 ppm2 0.527 CV 1 ASSI { 32} ( segid " " and resid 813 and name HE% ) ( segid " " and resid 890 and name HD2%) 3.400 1.400 1.400 peak 32 spectrum 1 weight 0.10000E+01 volume 0.11887E-02 ppm1 7.131 ppm2 0.533 CV 1 ASSI { 33} (( segid " " and resid 813 and name HZ )) ( segid " " and resid 890 and name HD2%) 4.000 2.000 2.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.56492E-03 ppm1 7.035 ppm2 0.533 CV 1 ASSI { 35} ( segid " " and resid 813 and name HE% ) ( segid " " and resid 809 and name HG2%) 3.000 1.100 1.100 peak 35 spectrum 1 weight 0.10000E+01 volume 0.16335E-02 ppm1 7.131 ppm2 1.173 CV 1 ASSI { 38} ( segid " " and resid 813 and name HE% ) (( segid " " and resid 890 and name HG )) 3.200 1.300 1.300 peak 38 spectrum 1 weight 0.10000E+01 volume 0.11699E-02 ppm1 7.131 ppm2 1.443 CV 1 ASSI { 39} (( segid " " and resid 813 and name HZ )) (( segid " " and resid 890 and name HG )) 3.000 1.100 1.100 peak 39 spectrum 1 weight 0.10000E+01 volume 0.16430E-02 ppm1 7.035 ppm2 1.444 CV 1 ASSI { 42} ( segid " " and resid 813 and name HD% ) (( segid " " and resid 891 and name HG3 )) 4.800 2.900 1.200 peak 42 spectrum 1 weight 0.10000E+01 volume 0.44487E-03 ppm1 7.338 ppm2 1.807 CV 1 ASSI { 43} ( segid " " and resid 813 and name HE% ) (( segid " " and resid 891 and name HG3 )) 4.700 2.800 1.300 peak 43 spectrum 1 weight 0.10000E+01 volume 0.52961E-03 ppm1 7.130 ppm2 1.805 CV 1 ASSI { 44} ( segid " " and resid 813 and name HE% ) (( segid " " and resid 812 and name HB )) 3.100 1.200 1.200 peak 44 spectrum 1 weight 0.10000E+01 volume 0.13322E-02 ppm1 7.131 ppm2 1.973 CV 1 ASSI { 45} (( segid " " and resid 813 and name HZ )) (( segid " " and resid 812 and name HB )) 3.700 3.700 2.300 peak 45 spectrum 1 weight 0.10000E+01 volume 0.86622E-03 ppm1 7.035 ppm2 1.965 CV 1 ASSI { 46} ( segid " " and resid 813 and name HE% ) (( segid " " and resid 891 and name HD2 )) 4.300 2.300 1.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.80733E-03 ppm1 7.130 ppm2 3.162 CV 1 ASSI { 47} ( segid " " and resid 813 and name HD% ) (( segid " " and resid 813 and name HB3 )) 2.600 0.900 0.900 peak 47 spectrum 1 weight 0.10000E+01 volume 0.35872E-02 ppm1 7.337 ppm2 3.172 CV 1 ASSI { 49} (( segid " " and resid 813 and name HZ )) (( segid " " and resid 894 and name HA )) 4.700 2.800 1.300 peak 49 spectrum 1 weight 0.10000E+01 volume 0.10262E-02 ppm1 7.035 ppm2 4.154 CV 1 ASSI { 51} ( segid " " and resid 813 and name HE% ) (( segid " " and resid 813 and name HA )) 4.200 2.200 1.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.53667E-03 ppm1 7.130 ppm2 4.074 CV 1 ASSI { 52} ( segid " " and resid 813 and name HE% ) (( segid " " and resid 891 and name HA )) 3.000 1.200 1.200 peak 52 spectrum 1 weight 0.10000E+01 volume 0.12923E-02 ppm1 7.130 ppm2 3.981 CV 1 ASSI { 54} ( segid " " and resid 813 and name HD% ) (( segid " " and resid 813 and name HA )) 2.900 1.000 1.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.26433E-02 ppm1 7.337 ppm2 4.076 CV 1 ASSI { 55} ( segid " " and resid 813 and name HD% ) (( segid " " and resid 891 and name HA )) 4.700 2.800 1.300 peak 55 spectrum 1 weight 0.10000E+01 volume 0.41427E-03 ppm1 7.338 ppm2 3.979 CV 1 ASSI { 56} (( segid " " and resid 813 and name HZ )) ( segid " " and resid 813 and name HE% ) 2.500 0.800 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.37661E-02 ppm1 7.034 ppm2 7.130 CV 1 ASSI { 58} (( segid " " and resid 813 and name HZ )) ( segid " " and resid 813 and name HD% ) 3.800 1.800 1.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.98387E-03 ppm1 7.033 ppm2 7.337 CV 1 ASSI { 59} ( segid " " and resid 813 and name HE% ) ( segid " " and resid 813 and name HD% ) 2.000 0.500 0.500 peak 59 spectrum 1 weight 0.10000E+01 volume 0.12783E-01 ppm1 7.130 ppm2 7.338 CV 1 ASSI { 49} (( segid " " and resid 853 and name HA )) (( segid " " and resid 847 and name HB3 )) 2.800 1.000 1.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.19117E-02 ppm1 4.022 ppm2 1.997 CV 1 OR { 49} (( segid " " and resid 853 and name HA )) (( segid " " and resid 856 and name HB2 )) ASSI { 52} (( segid " " and resid 853 and name HB3 )) (( segid " " and resid 854 and name HG3 )) 3.700 1.700 1.700 peak 52 spectrum 1 weight 0.10000E+01 volume 0.63720E-03 ppm1 3.928 ppm2 1.791 CV 1 OR { 52} (( segid " " and resid 853 and name HB2 )) (( segid " " and resid 854 and name HG3 )) OR { 52} (( segid " " and resid 858 and name HB2 )) (( segid " " and resid 857 and name HB2 )) ASSI { 144} (( segid " " and resid 819 and name HA )) (( segid " " and resid 821 and name H )) 3.500 1.500 1.500 peak 144 spectrum 1 weight 0.10000E+01 volume 0.10239E-02 ppm1 3.856 ppm2 7.758 CV 1 OR { 144} (( segid " " and resid 819 and name HA )) (( segid " " and resid 823 and name H )) ASSI { 152} ( segid " " and resid 878 and name HB% ) (( segid " " and resid 819 and name HA )) 1.900 0.400 0.400 peak 152 spectrum 1 weight 0.10000E+01 volume 0.16574E-01 ppm1 1.391 ppm2 3.857 CV 1 OR { 152} ( segid " " and resid 819 and name HB% ) (( segid " " and resid 819 and name HA )) ASSI { 174} (( segid " " and resid 820 and name HA2 )) (( segid " " and resid 821 and name H )) 3.200 1.300 1.300 peak 174 spectrum 1 weight 0.10000E+01 volume 0.15126E-02 ppm1 3.667 ppm2 7.757 CV 1 OR { 174} (( segid " " and resid 820 and name HA2 )) (( segid " " and resid 823 and name H )) ASSI { 204} (( segid " " and resid 821 and name HB3 )) (( segid " " and resid 821 and name HG3 )) 2.800 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.33964E-02 ppm1 1.958 ppm2 2.200 CV 1 OR { 204} (( segid " " and resid 885 and name HB3 )) (( segid " " and resid 885 and name HG3 )) ASSI { 216} (( segid " " and resid 841 and name HA )) (( segid " " and resid 842 and name H )) 2.900 1.100 1.100 peak 216 spectrum 1 weight 0.10000E+01 volume 0.21746E-02 ppm1 3.703 ppm2 7.757 CV 1 OR { 216} (( segid " " and resid 822 and name HA )) (( segid " " and resid 823 and name H )) ASSI { 217} (( segid " " and resid 822 and name HA )) (( segid " " and resid 824 and name H )) 3.500 1.500 1.500 peak 217 spectrum 1 weight 0.10000E+01 volume 0.81973E-03 ppm1 3.702 ppm2 7.860 CV 1 OR { 217} (( segid " " and resid 841 and name HA )) (( segid " " and resid 845 and name H )) ASSI { 218} (( segid " " and resid 841 and name HA )) (( segid " " and resid 843 and name H )) 3.500 1.500 1.500 peak 218 spectrum 1 weight 0.10000E+01 volume 0.87850E-03 ppm1 3.702 ppm2 8.226 CV 1 OR { 218} (( segid " " and resid 822 and name HA )) (( segid " " and resid 826 and name H )) ASSI { 220} (( segid " " and resid 841 and name HA )) (( segid " " and resid 841 and name H )) 2.500 0.800 0.800 peak 220 spectrum 1 weight 0.10000E+01 volume 0.46028E-02 ppm1 3.703 ppm2 8.491 CV 1 OR { 220} (( segid " " and resid 822 and name HA )) (( segid " " and resid 822 and name H )) ASSI { 256} ( segid " " and resid 812 and name HG2%) (( segid " " and resid 816 and name H )) 3.900 1.900 1.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.51348E-03 ppm1 0.491 ppm2 7.033 CV 1 OR { 256} ( segid " " and resid 812 and name HG2%) (( segid " " and resid 813 and name HZ )) ASSI { 281} ( segid " " and resid 812 and name HG2%) (( segid " " and resid 812 and name HB )) 2.000 0.500 0.500 peak 281 spectrum 1 weight 0.10000E+01 volume 0.13966E-01 ppm1 0.493 ppm2 1.956 CV 1 OR { 281} ( segid " " and resid 812 and name HG2%) ( segid " " and resid 870 and name HE% ) ASSI { 284} (( segid " " and resid 812 and name HG12)) ( segid " " and resid 870 and name HE% ) 3.100 1.200 1.200 peak 284 spectrum 1 weight 0.10000E+01 volume 0.88467E-03 ppm1 0.865 ppm2 1.963 CV 1 OR { 284} (( segid " " and resid 812 and name HG12)) (( segid " " and resid 812 and name HB )) ASSI { 289} ( segid " " and resid 812 and name HD1%) ( segid " " and resid 870 and name HE% ) 2.200 0.600 0.600 peak 289 spectrum 1 weight 0.10000E+01 volume 0.99727E-02 ppm1 0.639 ppm2 1.954 CV 1 OR { 289} ( segid " " and resid 812 and name HD1%) (( segid " " and resid 812 and name HB )) ASSI { 299} ( segid " " and resid 812 and name HG2%) (( segid " " and resid 890 and name HG )) 3.100 1.200 1.200 peak 299 spectrum 1 weight 0.10000E+01 volume 0.23849E-02 ppm1 0.493 ppm2 1.416 CV 1 OR { 299} ( segid " " and resid 812 and name HG2%) ( segid " " and resid 878 and name HB% ) ASSI { 305} (( segid " " and resid 805 and name HG12)) ( segid " " and resid 901 and name HG2%) 4.400 2.400 1.600 peak 305 spectrum 1 weight 0.10000E+01 volume 0.61558E-03 ppm1 0.853 ppm2 1.097 CV 1 OR { 305} (( segid " " and resid 805 and name HG12)) ( segid " " and resid 804 and name HG2%) ASSI { 336} (( segid " " and resid 811 and name HA )) (( segid " " and resid 815 and name H )) 3.800 1.800 1.800 peak 336 spectrum 1 weight 0.10000E+01 volume 0.70220E-03 ppm1 4.473 ppm2 7.452 CV 1 OR { 336} (( segid " " and resid 811 and name HA )) (( segid " " and resid 810 and name H )) ASSI { 377} (( segid " " and resid 798 and name HB3 )) ( segid " " and resid 801 and name HB% ) 4.200 2.200 1.800 peak 377 spectrum 1 weight 0.10000E+01 volume 0.54442E-03 ppm1 2.736 ppm2 1.525 CV 1 OR { 377} (( segid " " and resid 798 and name HB3 )) ( segid " " and resid 905 and name HB% ) ASSI { 387} (( segid " " and resid 799 and name HB2 )) (( segid " " and resid 800 and name H )) 3.500 1.500 1.500 peak 387 spectrum 1 weight 0.10000E+01 volume 0.14445E-02 ppm1 2.643 ppm2 8.450 CV 1 OR { 387} (( segid " " and resid 799 and name HB2 )) (( segid " " and resid 796 and name H )) ASSI { 388} (( segid " " and resid 799 and name HB3 )) (( segid " " and resid 800 and name H )) 3.200 1.200 1.200 peak 388 spectrum 1 weight 0.10000E+01 volume 0.12095E-02 ppm1 2.601 ppm2 8.451 CV 1 OR { 388} (( segid " " and resid 799 and name HB3 )) (( segid " " and resid 796 and name H )) ASSI { 396} (( segid " " and resid 835 and name HB3 )) (( segid " " and resid 835 and name HA )) 2.900 1.100 1.100 peak 396 spectrum 1 weight 0.10000E+01 volume 0.33902E-02 ppm1 2.595 ppm2 4.390 CV 1 OR { 396} (( segid " " and resid 843 and name HB3 )) (( segid " " and resid 843 and name HA )) ASSI { 456} (( segid " " and resid 832 and name HA )) ( segid " " and resid 804 and name HG2%) 3.600 1.600 1.600 peak 456 spectrum 1 weight 0.10000E+01 volume 0.13054E-02 ppm1 4.178 ppm2 1.091 CV 1 OR { 456} (( segid " " and resid 801 and name HA )) ( segid " " and resid 804 and name HG2%) ASSI { 457} (( segid " " and resid 832 and name HA )) ( segid " " and resid 805 and name HD1%) 3.800 1.800 1.800 peak 457 spectrum 1 weight 0.10000E+01 volume 0.82902E-03 ppm1 4.180 ppm2 0.701 CV 1 OR { 457} (( segid " " and resid 801 and name HA )) ( segid " " and resid 805 and name HD1%) ASSI { 464} ( segid " " and resid 802 and name HG2%) (( segid " " and resid 803 and name H )) 3.500 1.500 1.500 peak 464 spectrum 1 weight 0.10000E+01 volume 0.20075E-02 ppm1 1.162 ppm2 8.227 CV 1 OR { 464} ( segid " " and resid 802 and name HG2%) (( segid " " and resid 801 and name H )) ASSI { 467} ( segid " " and resid 802 and name HG2%) (( segid " " and resid 805 and name H )) 4.300 2.300 1.700 peak 467 spectrum 1 weight 0.10000E+01 volume 0.60629E-03 ppm1 1.164 ppm2 7.887 CV 1 OR { 467} ( segid " " and resid 802 and name HG2%) (( segid " " and resid 903 and name H )) ASSI { 479} (( segid " " and resid 901 and name HB )) (( segid " " and resid 805 and name HB )) 4.300 2.300 1.700 peak 479 spectrum 1 weight 0.10000E+01 volume 0.51658E-03 ppm1 4.128 ppm2 1.854 CV 1 OR { 479} (( segid " " and resid 802 and name HB )) (( segid " " and resid 805 and name HB )) OR { 479} (( segid " " and resid 901 and name HB )) (( segid " " and resid 806 and name HG )) ASSI { 490} (( segid " " and resid 802 and name HB )) ( segid " " and resid 806 and name HD2%) 3.400 1.400 1.400 peak 490 spectrum 1 weight 0.10000E+01 volume 0.77025E-03 ppm1 4.130 ppm2 0.863 CV 1 OR { 490} (( segid " " and resid 901 and name HB )) ( segid " " and resid 806 and name HD2%) ASSI { 505} (( segid " " and resid 835 and name HA )) (( segid " " and resid 838 and name HD21)) 2.900 1.000 1.000 peak 505 spectrum 1 weight 0.10000E+01 volume 0.23262E-02 ppm1 4.388 ppm2 7.600 CV 1 OR { 505} (( segid " " and resid 835 and name HA )) (( segid " " and resid 836 and name H )) ASSI { 526} (( segid " " and resid 807 and name HA )) (( segid " " and resid 808 and name H )) 3.600 1.600 1.600 peak 526 spectrum 1 weight 0.10000E+01 volume 0.75168E-03 ppm1 3.870 ppm2 8.543 CV 1 OR { 526} (( segid " " and resid 804 and name HA )) (( segid " " and resid 808 and name H )) ASSI { 530} ( segid " " and resid 867 and name HG2%) (( segid " " and resid 830 and name HA )) 2.200 0.600 0.600 peak 530 spectrum 1 weight 0.10000E+01 volume 0.80610E-02 ppm1 1.091 ppm2 3.869 CV 1 OR { 530} ( segid " " and resid 804 and name HG2%) (( segid " " and resid 804 and name HA )) ASSI { 532} (( segid " " and resid 804 and name HA )) ( segid " " and resid 804 and name HG2%) 2.400 0.700 0.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.57659E-02 ppm1 3.866 ppm2 1.091 CV 1 OR { 532} (( segid " " and resid 833 and name HA )) ( segid " " and resid 833 and name HG2%) ASSI { 533} (( segid " " and resid 804 and name HA )) ( segid " " and resid 808 and name HG1%) 3.500 1.500 1.500 peak 533 spectrum 1 weight 0.10000E+01 volume 0.11383E-02 ppm1 3.868 ppm2 1.001 CV 1 OR { 533} (( segid " " and resid 833 and name HA )) ( segid " " and resid 837 and name HG2%) ASSI { 555} ( segid " " and resid 805 and name HD1%) (( segid " " and resid 901 and name HB )) 4.100 2.100 1.900 peak 555 spectrum 1 weight 0.10000E+01 volume 0.91870E-03 ppm1 0.714 ppm2 4.132 CV 1 OR { 555} ( segid " " and resid 805 and name HD1%) (( segid " " and resid 802 and name HB )) ASSI { 582} ( segid " " and resid 805 and name HG2%) (( segid " " and resid 829 and name HG )) 4.600 2.600 1.400 peak 582 spectrum 1 weight 0.10000E+01 volume 0.78876E-03 ppm1 0.729 ppm2 1.001 CV 1 OR { 582} ( segid " " and resid 805 and name HG2%) ( segid " " and resid 808 and name HG1%) ASSI { 593} ( segid " " and resid 805 and name HG2%) ( segid " " and resid 806 and name HD1%) 2.300 0.700 0.700 peak 593 spectrum 1 weight 0.10000E+01 volume 0.86487E-02 ppm1 0.728 ppm2 0.811 CV 1 OR { 593} ( segid " " and resid 805 and name HG2%) ( segid " " and resid 897 and name HD2%) ASSI { 609} ( segid " " and resid 806 and name HD1%) (( segid " " and resid 899 and name H )) 3.900 1.900 1.900 peak 609 spectrum 1 weight 0.10000E+01 volume 0.71766E-03 ppm1 0.805 ppm2 8.060 CV 1 OR { 609} ( segid " " and resid 806 and name HD1%) (( segid " " and resid 900 and name H )) ASSI { 652} ( segid " " and resid 806 and name HD1%) (( segid " " and resid 806 and name HB3 )) 2.600 0.800 0.800 peak 652 spectrum 1 weight 0.10000E+01 volume 0.83548E-02 ppm1 0.804 ppm2 1.467 CV 1 OR { 652} ( segid " " and resid 806 and name HD1%) (( segid " " and resid 898 and name HG2 )) ASSI { 674} ( segid " " and resid 809 and name HG2%) (( segid " " and resid 812 and name H )) 3.300 1.400 1.400 peak 674 spectrum 1 weight 0.10000E+01 volume 0.14415E-02 ppm1 1.168 ppm2 8.066 CV 1 OR { 674} ( segid " " and resid 809 and name HG2%) (( segid " " and resid 895 and name H )) ASSI { 682} ( segid " " and resid 809 and name HG2%) ( segid " " and resid 813 and name HE% ) 2.800 1.000 1.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.47451E-02 ppm1 1.168 ppm2 7.114 CV 1 OR { 682} ( segid " " and resid 807 and name HG2%) (( segid " " and resid 811 and name HD21)) ASSI { 705} (( segid " " and resid 804 and name HA )) ( segid " " and resid 808 and name HG1%) 4.600 2.700 1.400 peak 705 spectrum 1 weight 0.10000E+01 volume 0.45471E-03 ppm1 3.898 ppm2 1.001 CV 1 OR { 705} (( segid " " and resid 807 and name HA )) ( segid " " and resid 808 and name HG1%) ASSI { 734} (( segid " " and resid 829 and name HG )) (( segid " " and resid 826 and name HA )) 2.600 0.800 0.800 peak 734 spectrum 1 weight 0.10000E+01 volume 0.45533E-02 ppm1 1.002 ppm2 3.882 CV 1 OR { 734} ( segid " " and resid 871 and name HG2%) (( segid " " and resid 826 and name HA )) OR { 734} ( segid " " and resid 808 and name HG2%) (( segid " " and resid 804 and name HA )) ASSI { 735} (( segid " " and resid 829 and name HG )) (( segid " " and resid 829 and name HA )) 2.600 0.900 0.900 peak 735 spectrum 1 weight 0.10000E+01 volume 0.47018E-02 ppm1 1.004 ppm2 3.826 CV 1 OR { 735} ( segid " " and resid 808 and name HG1%) (( segid " " and resid 829 and name HA )) ASSI { 747} ( segid " " and resid 808 and name HG1%) (( segid " " and resid 808 and name HB )) 1.900 0.500 0.500 peak 747 spectrum 1 weight 0.10000E+01 volume 0.18547E-01 ppm1 1.003 ppm2 1.966 CV 1 OR { 747} ( segid " " and resid 808 and name HG2%) (( segid " " and resid 808 and name HB )) OR { 747} ( segid " " and resid 808 and name HG1%) (( segid " " and resid 828 and name HB )) ASSI { 749} ( segid " " and resid 871 and name HG2%) (( segid " " and resid 870 and name HB2 )) 4.100 2.200 1.900 peak 749 spectrum 1 weight 0.10000E+01 volume 0.84447E-03 ppm1 0.999 ppm2 1.710 CV 1 OR { 749} ( segid " " and resid 808 and name HG1%) (( segid " " and resid 805 and name HG13)) ASSI { 758} ( segid " " and resid 871 and name HG2%) ( segid " " and resid 871 and name HG1%) 2.000 0.500 0.500 peak 758 spectrum 1 weight 0.10000E+01 volume 0.23933E-01 ppm1 0.998 ppm2 0.845 CV 1 OR { 758} ( segid " " and resid 808 and name HG1%) ( segid " " and resid 828 and name HG2%) ASSI { 760} ( segid " " and resid 808 and name HG2%) ( segid " " and resid 828 and name HD1%) 3.000 1.100 1.100 peak 760 spectrum 1 weight 0.10000E+01 volume 0.30191E-02 ppm1 1.003 ppm2 0.725 CV 1 OR { 760} ( segid " " and resid 808 and name HG1%) ( segid " " and resid 828 and name HD1%) OR { 760} (( segid " " and resid 829 and name HG )) ( segid " " and resid 805 and name HG2%) ASSI { 761} ( segid " " and resid 808 and name HG1%) ( segid " " and resid 828 and name HD1%) 3.000 1.100 1.100 peak 761 spectrum 1 weight 0.10000E+01 volume 0.29510E-02 ppm1 1.001 ppm2 0.711 CV 1 OR { 761} ( segid " " and resid 837 and name HG2%) ( segid " " and resid 863 and name HD1%) ASSI { 771} (( segid " " and resid 809 and name HA )) ( segid " " and resid 870 and name HE% ) 3.100 1.200 1.200 peak 771 spectrum 1 weight 0.10000E+01 volume 0.20230E-02 ppm1 3.571 ppm2 1.956 CV 1 OR { 771} (( segid " " and resid 809 and name HA )) (( segid " " and resid 812 and name HB )) ASSI { 775} (( segid " " and resid 809 and name HA )) ( segid " " and resid 808 and name HG2%) 4.100 2.100 1.900 peak 775 spectrum 1 weight 0.10000E+01 volume 0.57535E-03 ppm1 3.568 ppm2 1.004 CV 1 OR { 775} (( segid " " and resid 809 and name HA )) (( segid " " and resid 829 and name HG )) ASSI { 787} ( segid " " and resid 837 and name HG1%) (( segid " " and resid 864 and name H )) 3.200 1.300 1.300 peak 787 spectrum 1 weight 0.10000E+01 volume 0.21777E-02 ppm1 0.849 ppm2 8.503 CV 1 OR { 787} ( segid " " and resid 837 and name HG1%) (( segid " " and resid 841 and name H )) ASSI { 793} ( segid " " and resid 871 and name HG1%) (( segid " " and resid 827 and name HA )) 2.900 1.100 1.100 peak 793 spectrum 1 weight 0.10000E+01 volume 0.37119E-02 ppm1 0.847 ppm2 4.001 CV 1 OR { 793} ( segid " " and resid 871 and name HG1%) (( segid " " and resid 868 and name HA )) ASSI { 795} ( segid " " and resid 823 and name HG1%) (( segid " " and resid 824 and name HA )) 2.700 0.900 0.900 peak 795 spectrum 1 weight 0.10000E+01 volume 0.43522E-02 ppm1 0.848 ppm2 3.855 CV 1 OR { 795} ( segid " " and resid 837 and name HG1%) (( segid " " and resid 860 and name HA )) ASSI { 806} ( segid " " and resid 837 and name HG1%) (( segid " " and resid 841 and name HE2 )) 3.100 1.200 1.200 peak 806 spectrum 1 weight 0.10000E+01 volume 0.22612E-02 ppm1 0.849 ppm2 2.824 CV 1 OR { 806} ( segid " " and resid 871 and name HG1%) (( segid " " and resid 875 and name HE2 )) ASSI { 813} (( segid " " and resid 837 and name HA )) (( segid " " and resid 836 and name HB3 )) 3.500 1.500 1.500 peak 813 spectrum 1 weight 0.10000E+01 volume 0.79805E-03 ppm1 3.273 ppm2 1.378 CV 1 OR { 813} (( segid " " and resid 837 and name HA )) (( segid " " and resid 840 and name HG13)) ASSI { 819} ( segid " " and resid 871 and name HG1%) (( segid " " and resid 875 and name HD3 )) 2.400 0.700 0.700 peak 819 spectrum 1 weight 0.10000E+01 volume 0.10053E-01 ppm1 0.848 ppm2 1.585 CV 1 OR { 819} ( segid " " and resid 871 and name HG1%) (( segid " " and resid 875 and name HG3 )) OR { 819} ( segid " " and resid 823 and name HG1%) (( segid " " and resid 875 and name HG3 )) OR { 819} ( segid " " and resid 871 and name HG1%) (( segid " " and resid 875 and name HD2 )) OR { 819} ( segid " " and resid 823 and name HG1%) (( segid " " and resid 875 and name HD2 )) ASSI { 832} ( segid " " and resid 871 and name HG1%) ( segid " " and resid 871 and name HG2%) 1.900 0.500 0.500 peak 832 spectrum 1 weight 0.10000E+01 volume 0.25545E-01 ppm1 0.847 ppm2 0.996 CV 1 OR { 832} ( segid " " and resid 837 and name HG1%) ( segid " " and resid 837 and name HG2%) ASSI { 834} (( segid " " and resid 829 and name HG )) ( segid " " and resid 829 and name HD2%) 2.800 1.000 1.000 peak 834 spectrum 1 weight 0.10000E+01 volume 0.20725E-02 ppm1 1.006 ppm2 0.891 CV 1 OR { 834} ( segid " " and resid 808 and name HG1%) ( segid " " and resid 829 and name HD2%) ASSI { 854} (( segid " " and resid 811 and name HB3 )) (( segid " " and resid 811 and name HD22)) 3.800 1.800 1.800 peak 854 spectrum 1 weight 0.10000E+01 volume 0.14971E-02 ppm1 2.703 ppm2 6.794 CV 1 OR { 854} (( segid " " and resid 838 and name HB3 )) (( segid " " and resid 838 and name HD22)) ASSI { 923} (( segid " " and resid 840 and name HA )) ( segid " " and resid 860 and name HB% ) 4.300 2.300 1.700 peak 923 spectrum 1 weight 0.10000E+01 volume 0.66817E-03 ppm1 3.730 ppm2 1.456 CV 1 OR { 923} (( segid " " and resid 840 and name HA )) ( segid " " and resid 842 and name HB% ) ASSI { 929} ( segid " " and resid 840 and name HD1%) ( segid " " and resid 860 and name HB% ) 2.700 0.900 0.900 peak 929 spectrum 1 weight 0.10000E+01 volume 0.45441E-02 ppm1 0.317 ppm2 1.460 CV 1 OR { 929} ( segid " " and resid 840 and name HD1%) ( segid " " and resid 859 and name HB% ) ASSI { 936} ( segid " " and resid 840 and name HG2%) (( segid " " and resid 856 and name HB3 )) 2.300 0.600 0.600 peak 936 spectrum 1 weight 0.10000E+01 volume 0.75756E-02 ppm1 0.781 ppm2 1.383 CV 1 OR { 936} ( segid " " and resid 840 and name HG2%) (( segid " " and resid 840 and name HG13)) ASSI { 948} ( segid " " and resid 840 and name HD1%) ( segid " " and resid 863 and name HD2%) 2.300 0.600 0.600 peak 948 spectrum 1 weight 0.10000E+01 volume 0.77701E-02 ppm1 0.317 ppm2 0.686 CV 1 OR { 948} ( segid " " and resid 840 and name HD1%) ( segid " " and resid 836 and name HD2%) ASSI { 986} (( segid " " and resid 875 and name HE2 )) (( segid " " and resid 875 and name HD2 )) 2.400 0.700 0.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.53700E-02 ppm1 2.814 ppm2 1.585 CV 1 OR { 986} (( segid " " and resid 841 and name HE2 )) (( segid " " and resid 841 and name HD3 )) OR { 986} (( segid " " and resid 875 and name HE2 )) (( segid " " and resid 875 and name HD3 )) ASSI { 989} (( segid " " and resid 875 and name HE3 )) (( segid " " and resid 875 and name HD3 )) 2.500 0.800 0.800 peak 989 spectrum 1 weight 0.10000E+01 volume 0.49740E-02 ppm1 2.732 ppm2 1.583 CV 1 OR { 989} (( segid " " and resid 875 and name HE3 )) (( segid " " and resid 875 and name HD2 )) OR { 989} (( segid " " and resid 841 and name HE3 )) (( segid " " and resid 841 and name HD3 )) ASSI { 990} (( segid " " and resid 841 and name HB3 )) (( segid " " and resid 841 and name HG2 )) 2.400 0.700 0.700 peak 990 spectrum 1 weight 0.10000E+01 volume 0.59454E-02 ppm1 1.789 ppm2 1.599 CV 1 OR { 990} (( segid " " and resid 875 and name HB2 )) (( segid " " and resid 875 and name HG3 )) OR { 990} (( segid " " and resid 841 and name HB2 )) (( segid " " and resid 841 and name HG2 )) OR { 990} (( segid " " and resid 875 and name HB3 )) (( segid " " and resid 875 and name HG3 )) OR { 990} (( segid " " and resid 841 and name HB3 )) (( segid " " and resid 841 and name HD3 )) ASSI { 991} (( segid " " and resid 841 and name HB2 )) ( segid " " and resid 860 and name HB% ) 3.800 1.800 1.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.80733E-03 ppm1 1.778 ppm2 1.456 CV 1 OR { 991} (( segid " " and resid 841 and name HB3 )) ( segid " " and resid 842 and name HB% ) OR { 991} (( segid " " and resid 841 and name HB2 )) ( segid " " and resid 842 and name HB% ) OR { 991} (( segid " " and resid 841 and name HB3 )) ( segid " " and resid 860 and name HB% ) ASSI { 1003} (( segid " " and resid 841 and name HE2 )) ( segid " " and resid 837 and name HG1%) 2.900 1.100 1.100 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.33624E-02 ppm1 2.817 ppm2 0.847 CV 1 OR { 1003} (( segid " " and resid 875 and name HE2 )) ( segid " " and resid 871 and name HG1%) OR { 1003} (( segid " " and resid 875 and name HE2 )) ( segid " " and resid 823 and name HG1%) ASSI { 1011} ( segid " " and resid 860 and name HB% ) (( segid " " and resid 860 and name H )) 2.000 0.500 0.500 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.20360E-01 ppm1 1.460 ppm2 8.251 CV 1 OR { 1011} ( segid " " and resid 859 and name HB% ) (( segid " " and resid 860 and name H )) ASSI { 1012} ( segid " " and resid 832 and name HB% ) (( segid " " and resid 834 and name H )) 3.700 1.700 1.700 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.13517E-02 ppm1 1.459 ppm2 7.994 CV 1 OR { 1012} ( segid " " and resid 860 and name HB% ) (( segid " " and resid 862 and name H )) ASSI { 1035} ( segid " " and resid 860 and name HB% ) (( segid " " and resid 861 and name HB3 )) 3.700 1.700 1.700 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.11167E-02 ppm1 1.463 ppm2 1.995 CV 1 OR { 1035} ( segid " " and resid 859 and name HB% ) (( segid " " and resid 861 and name HB3 )) ASSI { 1038} ( segid " " and resid 860 and name HB% ) (( segid " " and resid 841 and name HB2 )) 2.600 0.900 0.900 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.26695E-02 ppm1 1.458 ppm2 1.784 CV 1 OR { 1038} ( segid " " and resid 842 and name HB% ) (( segid " " and resid 841 and name HB3 )) OR { 1038} ( segid " " and resid 842 and name HB% ) (( segid " " and resid 841 and name HB2 )) ASSI { 1043} ( segid " " and resid 860 and name HB% ) ( segid " " and resid 837 and name HG1%) 2.300 0.700 0.700 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.85035E-02 ppm1 1.464 ppm2 0.849 CV 1 OR { 1043} ( segid " " and resid 864 and name HB% ) ( segid " " and resid 837 and name HG1%) ASSI { 1044} ( segid " " and resid 860 and name HB% ) ( segid " " and resid 840 and name HG2%) 2.100 0.500 0.500 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.15188E-01 ppm1 1.463 ppm2 0.782 CV 1 OR { 1044} ( segid " " and resid 859 and name HB% ) ( segid " " and resid 840 and name HG2%) ASSI { 1045} ( segid " " and resid 860 and name HB% ) ( segid " " and resid 863 and name HD2%) 3.400 1.400 1.400 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.16302E-02 ppm1 1.460 ppm2 0.686 CV 1 OR { 1045} ( segid " " and resid 859 and name HB% ) ( segid " " and resid 863 and name HD2%) ASSI { 1080} ( segid " " and resid 905 and name HB% ) (( segid " " and resid 905 and name HA )) 2.100 0.600 0.600 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.11424E-01 ppm1 1.537 ppm2 4.162 CV 1 OR { 1080} ( segid " " and resid 894 and name HB% ) (( segid " " and resid 894 and name HA )) ASSI { 1084} ( segid " " and resid 844 and name HB% ) (( segid " " and resid 843 and name HB3 )) 3.800 1.800 1.800 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.67435E-03 ppm1 1.538 ppm2 2.582 CV 1 OR { 1084} ( segid " " and resid 894 and name HB% ) (( segid " " and resid 870 and name HG2 )) ASSI { 1085} ( segid " " and resid 844 and name HB% ) (( segid " " and resid 845 and name HG2 )) 3.800 1.800 1.800 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.76402E-03 ppm1 1.536 ppm2 2.408 CV 1 OR { 1085} ( segid " " and resid 894 and name HB% ) (( segid " " and resid 870 and name HB3 )) ASSI { 1087} ( segid " " and resid 844 and name HB% ) (( segid " " and resid 847 and name HB2 )) 3.600 1.600 1.600 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.16797E-02 ppm1 1.537 ppm2 2.081 CV 1 OR { 1087} ( segid " " and resid 844 and name HB% ) (( segid " " and resid 845 and name HB2 )) ASSI { 1089} ( segid " " and resid 844 and name HB% ) (( segid " " and resid 857 and name HB2 )) 3.500 1.600 1.600 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.24004E-02 ppm1 1.537 ppm2 1.792 CV 1 OR { 1089} ( segid " " and resid 844 and name HB% ) (( segid " " and resid 856 and name HG )) ASSI { 1108} (( segid " " and resid 892 and name HB3 )) (( segid " " and resid 892 and name H )) 3.200 1.300 1.300 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.36068E-02 ppm1 2.073 ppm2 8.440 CV 1 OR { 1108} (( segid " " and resid 892 and name HB3 )) (( segid " " and resid 893 and name H )) ASSI { 1109} (( segid " " and resid 892 and name HB2 )) (( segid " " and resid 892 and name H )) 2.400 0.700 0.700 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.43275E-02 ppm1 1.997 ppm2 8.439 CV 1 OR { 1109} (( segid " " and resid 892 and name HB2 )) (( segid " " and resid 893 and name H )) ASSI { 1119} (( segid " " and resid 892 and name HB3 )) (( segid " " and resid 892 and name HA )) 2.500 0.800 0.800 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.52215E-02 ppm1 2.077 ppm2 4.018 CV 1 OR { 1119} (( segid " " and resid 845 and name HB2 )) (( segid " " and resid 845 and name HA )) ASSI { 1120} (( segid " " and resid 845 and name HB3 )) (( segid " " and resid 845 and name HA )) 2.500 0.800 0.800 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.56638E-02 ppm1 2.018 ppm2 4.021 CV 1 OR { 1120} (( segid " " and resid 892 and name HB2 )) (( segid " " and resid 892 and name HA )) ASSI { 1121} (( segid " " and resid 892 and name HG2 )) (( segid " " and resid 892 and name HA )) 2.800 1.000 1.000 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.25086E-02 ppm1 2.420 ppm2 4.016 CV 1 OR { 1121} (( segid " " and resid 845 and name HG2 )) (( segid " " and resid 845 and name HA )) ASSI { 1130} (( segid " " and resid 872 and name HB2 )) (( segid " " and resid 872 and name HG3 )) 2.100 0.600 0.600 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.14440E-01 ppm1 2.019 ppm2 2.258 CV 1 OR { 1130} (( segid " " and resid 845 and name HB3 )) (( segid " " and resid 845 and name HG3 )) OR { 1130} (( segid " " and resid 872 and name HB3 )) (( segid " " and resid 872 and name HG3 )) OR { 1130} (( segid " " and resid 872 and name HB2 )) (( segid " " and resid 872 and name HG2 )) ASSI { 1133} (( segid " " and resid 845 and name HG2 )) (( segid " " and resid 845 and name HB2 )) 2.800 1.000 1.000 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.39037E-02 ppm1 2.422 ppm2 2.071 CV 1 OR { 1133} (( segid " " and resid 892 and name HG2 )) (( segid " " and resid 892 and name HB3 )) ASSI { 1156} ( segid " " and resid 829 and name HD2%) (( segid " " and resid 829 and name H )) 3.300 1.300 1.300 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.30469E-02 ppm1 0.896 ppm2 8.601 CV 1 OR { 1156} ( segid " " and resid 850 and name HD2%) (( segid " " and resid 850 and name H )) ASSI { 1223} (( segid " " and resid 849 and name HB2 )) (( segid " " and resid 853 and name H )) 4.200 2.200 1.800 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.41759E-03 ppm1 2.487 ppm2 8.371 CV 1 OR { 1223} (( segid " " and resid 849 and name HB2 )) (( segid " " and resid 848 and name H )) ASSI { 1233} (( segid " " and resid 911 and name HE3 )) (( segid " " and resid 911 and name HA )) 3.200 1.300 1.300 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.10795E-02 ppm1 2.894 ppm2 4.072 CV 1 OR { 1233} (( segid " " and resid 849 and name HB3 )) (( segid " " and resid 851 and name HA )) OR { 1233} (( segid " " and resid 869 and name HE2 )) (( segid " " and resid 866 and name HA )) ASSI { 1237} (( segid " " and resid 910 and name HE2 )) (( segid " " and resid 910 and name HD2 )) 2.200 0.600 0.600 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.10000E-01 ppm1 2.894 ppm2 1.585 CV 1 OR { 1237} (( segid " " and resid 911 and name HE2 )) (( segid " " and resid 911 and name HD3 )) OR { 1237} (( segid " " and resid 910 and name HE3 )) (( segid " " and resid 910 and name HD2 )) OR { 1237} (( segid " " and resid 910 and name HE2 )) (( segid " " and resid 910 and name HD3 )) OR { 1237} (( segid " " and resid 911 and name HE2 )) (( segid " " and resid 911 and name HD2 )) OR { 1237} (( segid " " and resid 911 and name HE3 )) (( segid " " and resid 911 and name HD3 )) OR { 1237} (( segid " " and resid 910 and name HE3 )) (( segid " " and resid 910 and name HD3 )) ASSI { 1246} (( segid " " and resid 847 and name HB3 )) (( segid " " and resid 848 and name H )) 3.800 1.800 1.800 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.93727E-03 ppm1 2.001 ppm2 8.375 CV 1 OR { 1246} (( segid " " and resid 847 and name HB3 )) (( segid " " and resid 853 and name H )) ASSI { 1250} (( segid " " and resid 847 and name HG2 )) (( segid " " and resid 853 and name H )) 3.600 1.700 1.700 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.98369E-03 ppm1 2.207 ppm2 8.375 CV 1 OR { 1250} (( segid " " and resid 847 and name HG2 )) (( segid " " and resid 848 and name H )) ASSI { 1264} (( segid " " and resid 847 and name HG3 )) (( segid " " and resid 848 and name HB2 )) 4.000 2.000 2.000 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.11786E-02 ppm1 2.249 ppm2 3.910 CV 1 OR { 1264} (( segid " " and resid 847 and name HG3 )) (( segid " " and resid 844 and name HA )) ASSI { 1270} (( segid " " and resid 847 and name HA )) (( segid " " and resid 848 and name HB2 )) 4.400 2.400 1.600 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.68669E-03 ppm1 4.260 ppm2 3.902 CV 1 OR { 1270} (( segid " " and resid 847 and name HA )) (( segid " " and resid 844 and name HA )) ASSI { 1296} (( segid " " and resid 836 and name HB3 )) ( segid " " and resid 836 and name HD2%) 2.700 0.900 0.900 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.21900E-02 ppm1 1.388 ppm2 0.687 CV 1 OR { 1296} (( segid " " and resid 836 and name HB3 )) ( segid " " and resid 863 and name HD2%) ASSI { 1297} (( segid " " and resid 836 and name HB2 )) ( segid " " and resid 863 and name HD2%) 2.900 1.000 1.000 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.17756E-02 ppm1 1.901 ppm2 0.684 CV 1 OR { 1297} (( segid " " and resid 836 and name HB2 )) ( segid " " and resid 836 and name HD2%) ASSI { 1305} (( segid " " and resid 857 and name HB3 )) ( segid " " and resid 844 and name HB% ) 4.400 2.400 1.600 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.10146E-02 ppm1 1.385 ppm2 1.539 CV 1 OR { 1305} (( segid " " and resid 836 and name HB3 )) ( segid " " and resid 801 and name HB% ) ASSI { 1314} ( segid " " and resid 836 and name HD2%) ( segid " " and resid 860 and name HB% ) 4.400 2.500 1.600 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.54751E-03 ppm1 0.689 ppm2 1.458 CV 1 OR { 1314} ( segid " " and resid 836 and name HD2%) ( segid " " and resid 859 and name HB% ) ASSI { 1327} ( segid " " and resid 836 and name HD2%) (( segid " " and resid 833 and name HA )) 4.900 3.000 1.100 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.36500E-03 ppm1 0.689 ppm2 3.851 CV 1 OR { 1327} ( segid " " and resid 836 and name HD2%) (( segid " " and resid 860 and name HA )) ASSI { 1363} (( segid " " and resid 834 and name HA )) (( segid " " and resid 835 and name H )) 3.300 1.300 1.300 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.12930E-02 ppm1 4.003 ppm2 8.116 CV 1 OR { 1363} (( segid " " and resid 834 and name HA )) (( segid " " and resid 838 and name H )) ASSI { 1366} (( segid " " and resid 834 and name HA )) (( segid " " and resid 836 and name H )) 4.000 2.000 2.000 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.39285E-03 ppm1 4.002 ppm2 7.596 CV 1 OR { 1366} (( segid " " and resid 834 and name HA )) (( segid " " and resid 838 and name HD21)) ASSI { 1390} (( segid " " and resid 833 and name HB )) (( segid " " and resid 833 and name HA )) 2.800 1.000 1.000 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.21932E-02 ppm1 4.053 ppm2 3.856 CV 1 OR { 1390} (( segid " " and resid 833 and name HB )) (( segid " " and resid 830 and name HA )) ASSI { 1419} ( segid " " and resid 903 and name HB% ) (( segid " " and resid 905 and name H )) 3.500 1.600 1.600 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.14012E-02 ppm1 1.418 ppm2 7.825 CV 1 OR { 1419} ( segid " " and resid 903 and name HB% ) (( segid " " and resid 906 and name H )) ASSI { 1427} ( segid " " and resid 832 and name HB% ) (( segid " " and resid 831 and name HA )) 3.900 1.900 1.900 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.10486E-02 ppm1 1.425 ppm2 3.947 CV 1 OR { 1427} ( segid " " and resid 826 and name HB% ) (( segid " " and resid 872 and name HA )) ASSI { 1444} ( segid " " and resid 826 and name HB% ) ( segid " " and resid 870 and name HE% ) 2.900 1.100 1.100 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.28241E-02 ppm1 1.417 ppm2 1.950 CV 1 OR { 1444} ( segid " " and resid 893 and name HB% ) ( segid " " and resid 870 and name HE% ) ASSI { 1447} ( segid " " and resid 832 and name HB% ) (( segid " " and resid 805 and name HG13)) 2.900 1.000 1.000 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.20385E-02 ppm1 1.408 ppm2 1.711 CV 1 OR { 1447} ( segid " " and resid 893 and name HB% ) (( segid " " and resid 870 and name HB2 )) ASSI { 1456} ( segid " " and resid 832 and name HB% ) (( segid " " and resid 805 and name HG12)) 2.200 0.600 0.600 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.94097E-02 ppm1 1.423 ppm2 0.847 CV 1 OR { 1456} ( segid " " and resid 826 and name HB% ) ( segid " " and resid 871 and name HG1%) ASSI { 1476} (( segid " " and resid 831 and name HB3 )) ( segid " " and resid 832 and name HB% ) 3.800 1.800 1.800 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.92798E-03 ppm1 2.131 ppm2 1.420 CV 1 OR { 1476} (( segid " " and resid 825 and name HB2 )) ( segid " " and resid 826 and name HB% ) ASSI { 1479} (( segid " " and resid 860 and name HA )) (( segid " " and resid 861 and name H )) 3.200 1.300 1.300 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.12961E-02 ppm1 3.866 ppm2 7.692 CV 1 OR { 1479} (( segid " " and resid 830 and name HA )) (( segid " " and resid 831 and name H )) ASSI { 1491} ( segid " " and resid 893 and name HB% ) (( segid " " and resid 890 and name HA )) 2.400 0.700 0.700 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.43956E-02 ppm1 1.406 ppm2 3.990 CV 1 OR { 1491} ( segid " " and resid 830 and name HB% ) (( segid " " and resid 827 and name HA )) ASSI { 1497} ( segid " " and resid 830 and name HB% ) (( segid " " and resid 831 and name HB3 )) 3.700 1.700 1.700 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.19549E-02 ppm1 1.390 ppm2 2.131 CV 1 OR { 1497} ( segid " " and resid 893 and name HB% ) (( segid " " and resid 870 and name HG3 )) ASSI { 1500} (( segid " " and resid 860 and name HA )) (( segid " " and resid 840 and name HB )) 3.200 1.300 1.300 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.23230E-02 ppm1 3.842 ppm2 1.615 CV 1 OR { 1500} (( segid " " and resid 860 and name HA )) (( segid " " and resid 863 and name HB2 )) ASSI { 1505} (( segid " " and resid 826 and name HA )) (( segid " " and resid 829 and name HG )) 3.000 1.200 1.200 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.22272E-02 ppm1 3.874 ppm2 0.999 CV 1 OR { 1505} (( segid " " and resid 826 and name HA )) ( segid " " and resid 871 and name HG2%) OR { 1505} (( segid " " and resid 830 and name HA )) ( segid " " and resid 871 and name HG2%) ASSI { 1541} ( segid " " and resid 828 and name HD1%) (( segid " " and resid 828 and name HG13)) 2.200 0.600 0.600 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.85840E-02 ppm1 0.720 ppm2 1.710 CV 1 OR { 1541} ( segid " " and resid 782 and name HD1%) (( segid " " and resid 782 and name HB )) ASSI { 1567} (( segid " " and resid 885 and name HA )) (( segid " " and resid 885 and name H )) 2.600 0.800 0.800 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.42563E-02 ppm1 3.991 ppm2 8.506 CV 1 OR { 1567} (( segid " " and resid 884 and name HA )) (( segid " " and resid 885 and name H )) ASSI { 1568} (( segid " " and resid 885 and name HB3 )) (( segid " " and resid 885 and name H )) 2.800 1.000 1.000 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.40646E-02 ppm1 1.960 ppm2 8.505 CV 1 OR { 1568} (( segid " " and resid 884 and name HB3 )) (( segid " " and resid 885 and name H )) ASSI { 1586} (( segid " " and resid 869 and name HA )) (( segid " " and resid 873 and name H )) 3.500 1.500 1.500 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.10208E-02 ppm1 4.023 ppm2 8.127 CV 1 OR { 1586} (( segid " " and resid 892 and name HA )) (( segid " " and resid 896 and name H )) ASSI { 1589} (( segid " " and resid 861 and name HA )) (( segid " " and resid 862 and name H )) 3.400 1.400 1.400 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.10301E-02 ppm1 3.989 ppm2 8.011 CV 1 OR { 1589} (( segid " " and resid 885 and name HA )) (( segid " " and resid 889 and name H )) ASSI { 1596} (( segid " " and resid 891 and name HB2 )) (( segid " " and resid 891 and name H )) 2.400 0.700 0.700 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.37614E-02 ppm1 1.917 ppm2 8.059 CV 1 OR { 1596} (( segid " " and resid 854 and name HB2 )) (( segid " " and resid 854 and name H )) OR { 1596} (( segid " " and resid 898 and name HB3 )) (( segid " " and resid 899 and name H )) ASSI { 1597} (( segid " " and resid 854 and name HB2 )) (( segid " " and resid 854 and name H )) 2.400 0.700 0.700 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.37367E-02 ppm1 1.924 ppm2 8.050 CV 1 OR { 1597} (( segid " " and resid 898 and name HB3 )) (( segid " " and resid 899 and name H )) ASSI { 1608} (( segid " " and resid 827 and name HB3 )) (( segid " " and resid 827 and name HA )) 2.600 0.900 0.900 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.41017E-02 ppm1 1.913 ppm2 3.986 CV 1 OR { 1608} (( segid " " and resid 891 and name HB2 )) (( segid " " and resid 891 and name HA )) OR { 1608} (( segid " " and resid 827 and name HB2 )) (( segid " " and resid 827 and name HA )) ASSI { 1615} (( segid " " and resid 891 and name HG3 )) (( segid " " and resid 888 and name HA )) 2.900 1.100 1.100 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.17167E-02 ppm1 1.799 ppm2 3.977 CV 1 OR { 1615} (( segid " " and resid 891 and name HG3 )) (( segid " " and resid 891 and name HA )) ASSI { 1619} (( segid " " and resid 821 and name HB3 )) (( segid " " and resid 818 and name HB2 )) 2.600 0.800 0.800 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.37305E-02 ppm1 1.927 ppm2 3.108 CV 1 OR { 1619} (( segid " " and resid 854 and name HB2 )) (( segid " " and resid 854 and name HD2 )) OR { 1619} (( segid " " and resid 827 and name HB2 )) (( segid " " and resid 827 and name HD2 )) OR { 1619} (( segid " " and resid 827 and name HB2 )) (( segid " " and resid 827 and name HD3 )) OR { 1619} (( segid " " and resid 827 and name HB3 )) (( segid " " and resid 827 and name HD3 )) OR { 1619} (( segid " " and resid 854 and name HB2 )) (( segid " " and resid 854 and name HD3 )) ASSI { 1620} (( segid " " and resid 827 and name HB2 )) (( segid " " and resid 827 and name HD2 )) 2.700 0.900 0.900 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.32634E-02 ppm1 1.891 ppm2 3.110 CV 1 OR { 1620} (( segid " " and resid 898 and name HB2 )) (( segid " " and resid 898 and name HD3 )) OR { 1620} (( segid " " and resid 854 and name HB3 )) (( segid " " and resid 854 and name HD2 )) OR { 1620} (( segid " " and resid 827 and name HB2 )) (( segid " " and resid 827 and name HD3 )) OR { 1620} (( segid " " and resid 854 and name HB3 )) (( segid " " and resid 854 and name HD3 )) ASSI { 1626} (( segid " " and resid 854 and name HG3 )) (( segid " " and resid 854 and name HD3 )) 2.300 0.700 0.700 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.54009E-02 ppm1 1.785 ppm2 3.109 CV 1 OR { 1626} (( segid " " and resid 827 and name HG3 )) (( segid " " and resid 827 and name HD3 )) OR { 1626} (( segid " " and resid 854 and name HG3 )) (( segid " " and resid 854 and name HD2 )) OR { 1626} (( segid " " and resid 827 and name HG3 )) (( segid " " and resid 827 and name HD2 )) ASSI { 1627} (( segid " " and resid 885 and name HA )) (( segid " " and resid 885 and name HB3 )) 2.300 0.700 0.700 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.83084E-02 ppm1 3.993 ppm2 1.954 CV 1 OR { 1627} (( segid " " and resid 855 and name HA )) (( segid " " and resid 855 and name HB2 )) ASSI { 1629} (( segid " " and resid 861 and name HA )) (( segid " " and resid 861 and name HB2 )) 2.400 0.700 0.700 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.57380E-02 ppm1 3.982 ppm2 1.894 CV 1 OR { 1629} (( segid " " and resid 827 and name HA )) (( segid " " and resid 827 and name HB2 )) ASSI { 1630} (( segid " " and resid 889 and name HA )) (( segid " " and resid 889 and name HB2 )) 2.500 0.800 0.800 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.56545E-02 ppm1 4.029 ppm2 1.854 CV 1 OR { 1630} (( segid " " and resid 869 and name HA )) (( segid " " and resid 869 and name HB3 )) OR { 1630} (( segid " " and resid 869 and name HA )) (( segid " " and resid 869 and name HB2 )) ASSI { 1632} (( segid " " and resid 885 and name HA )) (( segid " " and resid 885 and name HB2 )) 2.600 0.900 0.900 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.47606E-02 ppm1 3.995 ppm2 1.779 CV 1 OR { 1632} (( segid " " and resid 827 and name HA )) (( segid " " and resid 827 and name HG3 )) ASSI { 1635} (( segid " " and resid 854 and name HD2 )) (( segid " " and resid 854 and name HB2 )) 2.300 0.600 0.600 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.86146E-02 ppm1 3.108 ppm2 1.915 CV 1 OR { 1635} (( segid " " and resid 827 and name HD2 )) (( segid " " and resid 827 and name HB2 )) OR { 1635} (( segid " " and resid 827 and name HD3 )) (( segid " " and resid 827 and name HB2 )) OR { 1635} (( segid " " and resid 827 and name HD3 )) (( segid " " and resid 827 and name HB3 )) OR { 1635} (( segid " " and resid 854 and name HD3 )) (( segid " " and resid 854 and name HB2 )) ASSI { 1637} (( segid " " and resid 889 and name HD2 )) (( segid " " and resid 889 and name HG3 )) 2.600 0.900 0.900 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.26880E-02 ppm1 3.162 ppm2 1.794 CV 1 OR { 1637} (( segid " " and resid 891 and name HD2 )) (( segid " " and resid 891 and name HG3 )) OR { 1637} (( segid " " and resid 889 and name HD3 )) (( segid " " and resid 889 and name HG3 )) ASSI { 1638} (( segid " " and resid 889 and name HD2 )) (( segid " " and resid 889 and name HG3 )) 2.100 0.500 0.500 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.10282E-01 ppm1 3.112 ppm2 1.786 CV 1 OR { 1638} (( segid " " and resid 854 and name HD3 )) (( segid " " and resid 854 and name HG3 )) OR { 1638} (( segid " " and resid 854 and name HD2 )) (( segid " " and resid 854 and name HG3 )) OR { 1638} (( segid " " and resid 889 and name HD3 )) (( segid " " and resid 889 and name HG3 )) OR { 1638} (( segid " " and resid 827 and name HD2 )) (( segid " " and resid 827 and name HG3 )) ASSI { 1653} (( segid " " and resid 827 and name HD3 )) (( segid " " and resid 827 and name HG2 )) 2.300 0.600 0.600 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.82467E-02 ppm1 3.102 ppm2 1.546 CV 1 OR { 1653} (( segid " " and resid 891 and name HD3 )) (( segid " " and resid 891 and name HG2 )) OR { 1653} (( segid " " and resid 827 and name HD2 )) (( segid " " and resid 827 and name HG2 )) ASSI { 1657} (( segid " " and resid 827 and name HB3 )) (( segid " " and resid 827 and name HG2 )) 2.700 0.900 0.900 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.33408E-02 ppm1 1.916 ppm2 1.537 CV 1 OR { 1657} (( segid " " and resid 891 and name HB2 )) (( segid " " and resid 891 and name HG2 )) OR { 1657} (( segid " " and resid 827 and name HB2 )) (( segid " " and resid 827 and name HG2 )) ASSI { 1667} (( segid " " and resid 827 and name HA )) ( segid " " and resid 871 and name HG1%) 3.500 1.500 1.500 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.76402E-03 ppm1 4.000 ppm2 0.846 CV 1 OR { 1667} (( segid " " and resid 861 and name HA )) ( segid " " and resid 837 and name HG1%) ASSI { 1668} (( segid " " and resid 898 and name HB3 )) ( segid " " and resid 897 and name HD1%) 4.600 2.700 1.400 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.45781E-03 ppm1 1.938 ppm2 0.850 CV 1 OR { 1668} (( segid " " and resid 827 and name HB3 )) ( segid " " and resid 823 and name HG1%) ASSI { 1679} (( segid " " and resid 825 and name HA )) (( segid " " and resid 829 and name H )) 3.600 1.600 1.600 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.83830E-03 ppm1 3.905 ppm2 8.605 CV 1 OR { 1679} (( segid " " and resid 863 and name HA )) (( segid " " and resid 865 and name H )) ASSI { 1685} (( segid " " and resid 857 and name HA )) (( segid " " and resid 858 and name H )) 3.400 1.500 1.500 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.80733E-03 ppm1 3.902 ppm2 8.220 CV 1 OR { 1685} (( segid " " and resid 825 and name HA )) (( segid " " and resid 826 and name H )) ASSI { 1687} (( segid " " and resid 825 and name HB3 )) (( segid " " and resid 825 and name H )) 4.000 2.000 2.000 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.92487E-03 ppm1 1.818 ppm2 8.435 CV 1 OR { 1687} (( segid " " and resid 891 and name HG3 )) (( segid " " and resid 892 and name H )) ASSI { 1718} (( segid " " and resid 825 and name HA )) (( segid " " and resid 828 and name HG13)) 2.900 1.100 1.100 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.17879E-02 ppm1 3.877 ppm2 1.710 CV 1 OR { 1718} (( segid " " and resid 857 and name HA )) (( segid " " and resid 857 and name HG )) ASSI { 1721} (( segid " " and resid 863 and name HA )) ( segid " " and resid 900 and name HB% ) 2.200 0.600 0.600 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.81321E-02 ppm1 3.901 ppm2 1.386 CV 1 OR { 1721} (( segid " " and resid 857 and name HA )) (( segid " " and resid 857 and name HB3 )) ASSI { 1722} (( segid " " and resid 857 and name HA )) (( segid " " and resid 857 and name HB3 )) 2.300 0.700 0.700 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.69292E-02 ppm1 3.865 ppm2 1.384 CV 1 OR { 1722} (( segid " " and resid 797 and name HA )) (( segid " " and resid 797 and name HB2 )) ASSI { 1772} (( segid " " and resid 827 and name HD2 )) (( segid " " and resid 824 and name HA )) 3.600 1.600 1.600 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.69909E-03 ppm1 3.077 ppm2 3.861 CV 1 OR { 1772} (( segid " " and resid 827 and name HD3 )) (( segid " " and resid 824 and name HA )) OR { 1772} (( segid " " and resid 824 and name HD3 )) (( segid " " and resid 824 and name HA )) ASSI { 1786} (( segid " " and resid 891 and name HA )) (( segid " " and resid 892 and name H )) 3.200 1.300 1.300 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.13177E-02 ppm1 3.979 ppm2 8.441 CV 1 OR { 1786} (( segid " " and resid 891 and name HA )) (( segid " " and resid 893 and name H )) ASSI { 1790} (( segid " " and resid 823 and name HA )) (( segid " " and resid 824 and name H )) 3.100 1.200 1.200 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.14445E-02 ppm1 3.468 ppm2 7.864 CV 1 OR { 1790} (( segid " " and resid 823 and name HA )) (( segid " " and resid 827 and name H )) ASSI { 1795} ( segid " " and resid 823 and name HG2%) (( segid " " and resid 826 and name H )) 3.700 1.700 1.700 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.12280E-02 ppm1 0.946 ppm2 8.221 CV 1 OR { 1795} ( segid " " and resid 856 and name HD2%) (( segid " " and resid 858 and name H )) ASSI { 1820} ( segid " " and resid 823 and name HG2%) ( segid " " and resid 878 and name HB% ) 2.000 0.500 0.500 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.14269E-01 ppm1 0.946 ppm2 1.400 CV 1 OR { 1820} ( segid " " and resid 856 and name HD2%) (( segid " " and resid 856 and name HB3 )) ASSI { 1846} (( segid " " and resid 822 and name HG3 )) (( segid " " and resid 823 and name H )) 4.200 2.200 1.800 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.58772E-03 ppm1 2.681 ppm2 7.757 CV 1 OR { 1846} (( segid " " and resid 822 and name HG3 )) (( segid " " and resid 821 and name H )) ASSI { 1853} (( segid " " and resid 822 and name HB3 )) (( segid " " and resid 874 and name HA )) 4.300 2.400 1.700 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.66506E-03 ppm1 1.882 ppm2 3.856 CV 1 OR { 1853} (( segid " " and resid 822 and name HB3 )) (( segid " " and resid 819 and name HA )) ASSI { 1904} (( segid " " and resid 852 and name HA )) (( segid " " and resid 852 and name HD21)) 3.600 1.600 1.600 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.11507E-02 ppm1 4.499 ppm2 7.967 CV 1 OR { 1904} (( segid " " and resid 852 and name HA )) (( segid " " and resid 856 and name H )) ASSI { 1911} (( segid " " and resid 902 and name HB2 )) (( segid " " and resid 902 and name H )) 2.500 0.800 0.800 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.38759E-02 ppm1 2.801 ppm2 7.962 CV 1 OR { 1911} (( segid " " and resid 852 and name HB2 )) (( segid " " and resid 852 and name HD21)) ASSI { 1947} (( segid " " and resid 854 and name HB3 )) (( segid " " and resid 854 and name H )) 3.200 1.300 1.300 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.35047E-02 ppm1 1.888 ppm2 8.053 CV 1 OR { 1947} (( segid " " and resid 898 and name HB2 )) (( segid " " and resid 899 and name H )) ASSI { 1975} (( segid " " and resid 891 and name HB2 )) (( segid " " and resid 891 and name HG3 )) 2.500 0.800 0.800 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.35789E-02 ppm1 1.887 ppm2 1.790 CV 1 OR { 1975} (( segid " " and resid 827 and name HB2 )) (( segid " " and resid 827 and name HG3 )) OR { 1975} (( segid " " and resid 854 and name HB3 )) (( segid " " and resid 854 and name HG3 )) ASSI { 1976} (( segid " " and resid 891 and name HB2 )) (( segid " " and resid 891 and name HG3 )) 2.300 0.600 0.600 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.59483E-02 ppm1 1.918 ppm2 1.784 CV 1 OR { 1976} (( segid " " and resid 827 and name HB2 )) (( segid " " and resid 827 and name HG3 )) OR { 1976} (( segid " " and resid 854 and name HB2 )) (( segid " " and resid 854 and name HG3 )) OR { 1976} (( segid " " and resid 827 and name HB3 )) (( segid " " and resid 827 and name HG3 )) ASSI { 1993} (( segid " " and resid 861 and name HB2 )) (( segid " " and resid 861 and name HA )) 2.700 0.900 0.900 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.28211E-02 ppm1 1.919 ppm2 3.984 CV 1 OR { 1993} (( segid " " and resid 855 and name HB3 )) (( segid " " and resid 855 and name HA )) ASSI { 1994} (( segid " " and resid 855 and name HB2 )) (( segid " " and resid 855 and name HA )) 2.800 1.000 1.000 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.29541E-02 ppm1 1.986 ppm2 3.980 CV 1 OR { 1994} (( segid " " and resid 861 and name HB3 )) (( segid " " and resid 861 and name HA )) ASSI { 2000} (( segid " " and resid 885 and name HA )) (( segid " " and resid 885 and name HG2 )) 2.700 0.900 0.900 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.38202E-02 ppm1 3.993 ppm2 2.092 CV 1 OR { 2000} (( segid " " and resid 885 and name HA )) (( segid " " and resid 888 and name HB3 )) ASSI { 2003} (( segid " " and resid 855 and name HB2 )) (( segid " " and resid 855 and name HD2 )) 3.100 1.200 1.200 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.15776E-02 ppm1 1.966 ppm2 1.679 CV 1 OR { 2003} (( segid " " and resid 861 and name HB3 )) (( segid " " and resid 861 and name HD2 )) OR { 2003} (( segid " " and resid 855 and name HB2 )) (( segid " " and resid 855 and name HD3 )) ASSI { 2009} (( segid " " and resid 856 and name HA )) (( segid " " and resid 857 and name H )) 3.100 1.200 1.200 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.15652E-02 ppm1 3.955 ppm2 8.259 CV 1 OR { 2009} (( segid " " and resid 856 and name HA )) (( segid " " and resid 860 and name H )) ASSI { 2020} ( segid " " and resid 856 and name HD1%) (( segid " " and resid 856 and name H )) 3.000 1.200 1.200 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.39161E-02 ppm1 0.827 ppm2 7.968 CV 1 OR { 2020} ( segid " " and resid 856 and name HD1%) (( segid " " and resid 852 and name HD21)) ASSI { 2036} ( segid " " and resid 856 and name HD1%) (( segid " " and resid 847 and name HA )) 3.100 1.200 1.200 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.89707E-03 ppm1 0.824 ppm2 4.263 CV 1 OR { 2036} ( segid " " and resid 856 and name HD1%) (( segid " " and resid 908 and name HA )) ASSI { 2050} ( segid " " and resid 856 and name HD1%) (( segid " " and resid 856 and name HB2 )) 2.500 0.800 0.800 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.43491E-02 ppm1 0.817 ppm2 1.990 CV 1 OR { 2050} ( segid " " and resid 897 and name HD2%) (( segid " " and resid 897 and name HB3 )) ASSI { 2056} (( segid " " and resid 856 and name HB2 )) (( segid " " and resid 856 and name HB3 )) 2.100 0.500 0.500 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.44296E-02 ppm1 1.987 ppm2 1.383 CV 1 OR { 2056} (( segid " " and resid 897 and name HB3 )) (( segid " " and resid 897 and name HG )) ASSI { 2062} ( segid " " and resid 897 and name HD2%) (( segid " " and resid 897 and name HG )) 1.900 0.500 0.500 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.18621E-01 ppm1 0.815 ppm2 1.376 CV 1 OR { 2062} ( segid " " and resid 897 and name HD2%) ( segid " " and resid 866 and name HB% ) ASSI { 2082} ( segid " " and resid 857 and name HD2%) (( segid " " and resid 857 and name HB2 )) 2.900 1.100 1.100 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.59948E-02 ppm1 0.789 ppm2 1.792 CV 1 OR { 2082} ( segid " " and resid 857 and name HD2%) (( segid " " and resid 841 and name HB3 )) ASSI { 2108} (( segid " " and resid 858 and name HA )) ( segid " " and resid 860 and name HB% ) 4.100 2.100 1.900 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.70837E-03 ppm1 4.198 ppm2 1.454 CV 1 OR { 2108} (( segid " " and resid 858 and name HA )) ( segid " " and resid 859 and name HB% ) ASSI { 2221} ( segid " " and resid 863 and name HD2%) (( segid " " and resid 860 and name HA )) 2.800 1.000 1.000 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.24654E-02 ppm1 0.673 ppm2 3.845 CV 1 OR { 2221} ( segid " " and resid 863 and name HD2%) (( segid " " and resid 833 and name HA )) ASSI { 2231} (( segid " " and resid 863 and name HG )) (( segid " " and resid 864 and name HA )) 3.400 1.400 1.400 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.84447E-03 ppm1 1.362 ppm2 3.912 CV 1 OR { 2231} (( segid " " and resid 863 and name HG )) (( segid " " and resid 863 and name HA )) ASSI { 2282} (( segid " " and resid 865 and name HB3 )) ( segid " " and resid 864 and name HB% ) 4.400 2.400 1.600 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.65266E-03 ppm1 2.574 ppm2 1.490 CV 1 OR { 2282} (( segid " " and resid 865 and name HB3 )) ( segid " " and resid 868 and name HB% ) ASSI { 2292} ( segid " " and resid 873 and name HB% ) (( segid " " and resid 876 and name H )) 4.000 2.000 2.000 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.69909E-03 ppm1 1.352 ppm2 8.010 CV 1 OR { 2292} ( segid " " and resid 873 and name HB% ) (( segid " " and resid 889 and name H )) ASSI { 2293} ( segid " " and resid 873 and name HB% ) (( segid " " and resid 875 and name H )) 3.900 1.900 1.900 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.89396E-03 ppm1 1.365 ppm2 7.963 CV 1 OR { 2293} ( segid " " and resid 866 and name HB% ) (( segid " " and resid 868 and name H )) ASSI { 2305} ( segid " " and resid 866 and name HB% ) (( segid " " and resid 897 and name HA )) 1.900 0.500 0.500 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.16057E-01 ppm1 1.358 ppm2 4.100 CV 1 OR { 2305} ( segid " " and resid 873 and name HB% ) (( segid " " and resid 873 and name HA )) ASSI { 2308} (( segid " " and resid 903 and name HA )) (( segid " " and resid 902 and name HB3 )) 3.300 1.300 1.300 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.10115E-02 ppm1 4.074 ppm2 2.713 CV 1 OR { 2308} (( segid " " and resid 900 and name HA )) (( segid " " and resid 899 and name HG2 )) ASSI { 2321} (( segid " " and resid 859 and name HA )) (( segid " " and resid 862 and name HB )) 2.600 0.800 0.800 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.34490E-02 ppm1 4.048 ppm2 1.859 CV 1 OR { 2321} (( segid " " and resid 866 and name HA )) (( segid " " and resid 869 and name HB2 )) ASSI { 2326} ( segid " " and resid 873 and name HB% ) ( segid " " and resid 890 and name HD1%) 2.400 0.700 0.700 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.65824E-02 ppm1 1.354 ppm2 0.692 CV 1 OR { 2326} ( segid " " and resid 866 and name HB% ) ( segid " " and resid 863 and name HD1%) ASSI { 2342} ( segid " " and resid 867 and name HG2%) (( segid " " and resid 871 and name HB )) 3.500 1.500 1.500 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.11569E-02 ppm1 1.112 ppm2 2.115 CV 1 OR { 2342} ( segid " " and resid 867 and name HG2%) (( segid " " and resid 870 and name HG3 )) ASSI { 2360} (( segid " " and resid 910 and name HE3 )) (( segid " " and resid 910 and name HG2 )) 2.600 0.900 0.900 peak 2360 spectrum 1 weight 0.10000E+01 volume 0.47296E-02 ppm1 2.897 ppm2 1.368 CV 1 OR { 2360} (( segid " " and resid 869 and name HE3 )) (( segid " " and resid 869 and name HG2 )) OR { 2360} (( segid " " and resid 910 and name HE2 )) (( segid " " and resid 910 and name HG2 )) OR { 2360} (( segid " " and resid 869 and name HE2 )) (( segid " " and resid 869 and name HG2 )) ASSI { 2373} (( segid " " and resid 869 and name HD2 )) (( segid " " and resid 869 and name HE2 )) 2.800 1.000 1.000 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.27036E-02 ppm1 1.688 ppm2 2.890 CV 1 OR { 2373} (( segid " " and resid 861 and name HD2 )) (( segid " " and resid 861 and name HE2 )) OR { 2373} (( segid " " and resid 861 and name HD2 )) (( segid " " and resid 861 and name HE3 )) OR { 2373} (( segid " " and resid 869 and name HD3 )) (( segid " " and resid 869 and name HE2 )) OR { 2373} (( segid " " and resid 869 and name HD2 )) (( segid " " and resid 869 and name HE3 )) ASSI { 2384} (( segid " " and resid 861 and name HB2 )) (( segid " " and resid 861 and name H )) 2.500 0.800 0.800 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.40676E-02 ppm1 1.892 ppm2 7.707 CV 1 OR { 2384} (( segid " " and resid 869 and name HB2 )) (( segid " " and resid 870 and name H )) ASSI { 2432} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 894 and name HA )) 2.500 0.800 0.800 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.58123E-02 ppm1 1.949 ppm2 4.167 CV 1 OR { 2432} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 870 and name HA )) ASSI { 2437} (( segid " " and resid 899 and name HB2 )) (( segid " " and resid 899 and name HA )) 3.200 1.300 1.300 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.10734E-02 ppm1 2.115 ppm2 4.173 CV 1 OR { 2437} (( segid " " and resid 870 and name HG3 )) (( segid " " and resid 870 and name HA )) ASSI { 2450} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 874 and name H )) 3.100 1.200 1.200 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.27963E-02 ppm1 1.950 ppm2 8.862 CV 1 OR { 2450} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 871 and name H )) ASSI { 2451} (( segid " " and resid 870 and name HA )) (( segid " " and resid 871 and name H )) 3.200 1.300 1.300 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.10919E-02 ppm1 4.180 ppm2 8.860 CV 1 OR { 2451} (( segid " " and resid 870 and name HA )) (( segid " " and resid 874 and name H )) ASSI { 2454} (( segid " " and resid 871 and name HA )) (( segid " " and resid 871 and name H )) 2.600 0.800 0.800 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.36934E-02 ppm1 3.372 ppm2 8.860 CV 1 OR { 2454} (( segid " " and resid 871 and name HA )) (( segid " " and resid 874 and name H )) ASSI { 2540} (( segid " " and resid 789 and name HA )) (( segid " " and resid 790 and name H )) 2.300 0.700 0.700 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.83243E-02 ppm1 4.291 ppm2 8.148 CV 1 OR { 2540} (( segid " " and resid 792 and name HA )) (( segid " " and resid 793 and name H )) ASSI { 2544} ( segid " " and resid 792 and name HB% ) (( segid " " and resid 792 and name HA )) 2.100 0.600 0.600 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.14603E-01 ppm1 1.294 ppm2 4.290 CV 1 OR { 2544} ( segid " " and resid 789 and name HB% ) (( segid " " and resid 789 and name HA )) ASSI { 2545} (( segid " " and resid 792 and name HA )) ( segid " " and resid 792 and name HB% ) 2.200 0.600 0.600 peak 2545 spectrum 1 weight 0.10000E+01 volume 0.11445E-01 ppm1 4.286 ppm2 1.293 CV 1 OR { 2545} (( segid " " and resid 789 and name HA )) ( segid " " and resid 789 and name HB% ) OR { 2545} (( segid " " and resid 908 and name HA )) ( segid " " and resid 908 and name HB% ) ASSI { 2546} (( segid " " and resid 789 and name HA )) ( segid " " and resid 789 and name HB% ) 2.200 0.600 0.600 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.10660E-01 ppm1 4.266 ppm2 1.282 CV 1 OR { 2546} (( segid " " and resid 908 and name HA )) ( segid " " and resid 908 and name HB% ) ASSI { 2592} (( segid " " and resid 899 and name HB3 )) (( segid " " and resid 899 and name H )) 2.800 1.000 1.000 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.24004E-02 ppm1 2.169 ppm2 8.057 CV 1 OR { 2592} (( segid " " and resid 899 and name HB3 )) (( segid " " and resid 900 and name H )) ASSI { 2663} (( segid " " and resid 872 and name HG2 )) (( segid " " and resid 872 and name HA )) 2.500 0.800 0.800 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.60753E-02 ppm1 2.263 ppm2 3.954 CV 1 OR { 2663} (( segid " " and resid 884 and name HG3 )) (( segid " " and resid 884 and name HA )) OR { 2663} (( segid " " and resid 872 and name HG3 )) (( segid " " and resid 872 and name HA )) ASSI { 2669} (( segid " " and resid 872 and name HA )) (( segid " " and resid 872 and name HB3 )) 2.200 0.600 0.600 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.10301E-01 ppm1 3.956 ppm2 2.013 CV 1 OR { 2669} (( segid " " and resid 884 and name HA )) (( segid " " and resid 884 and name HB2 )) OR { 2669} (( segid " " and resid 872 and name HA )) (( segid " " and resid 872 and name HB2 )) ASSI { 2687} ( segid " " and resid 873 and name HB% ) (( segid " " and resid 893 and name H )) 3.700 1.700 1.700 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.12559E-02 ppm1 1.354 ppm2 8.437 CV 1 OR { 2687} ( segid " " and resid 866 and name HB% ) (( segid " " and resid 901 and name H )) ASSI { 2691} (( segid " " and resid 873 and name HA )) ( segid " " and resid 873 and name HB% ) 2.200 0.600 0.600 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.92863E-02 ppm1 4.101 ppm2 1.354 CV 1 OR { 2691} (( segid " " and resid 866 and name HA )) ( segid " " and resid 866 and name HB% ) ASSI { 2708} ( segid " " and resid 874 and name HB% ) (( segid " " and resid 822 and name HB2 )) 3.200 1.300 1.300 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.15466E-02 ppm1 1.310 ppm2 2.114 CV 1 OR { 2708} ( segid " " and resid 874 and name HB% ) (( segid " " and resid 870 and name HG3 )) ASSI { 2714} (( segid " " and resid 860 and name HA )) ( segid " " and resid 837 and name HG2%) 3.300 1.400 1.400 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.21869E-02 ppm1 3.844 ppm2 0.994 CV 1 OR { 2714} (( segid " " and resid 830 and name HA )) ( segid " " and resid 871 and name HG2%) ASSI { 2738} (( segid " " and resid 875 and name HB2 )) (( segid " " and resid 875 and name HG3 )) 2.400 0.700 0.700 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.62081E-02 ppm1 1.816 ppm2 1.588 CV 1 OR { 2738} (( segid " " and resid 875 and name HB3 )) (( segid " " and resid 875 and name HG3 )) OR { 2738} (( segid " " and resid 841 and name HB3 )) (( segid " " and resid 841 and name HD3 )) OR { 2738} (( segid " " and resid 875 and name HB2 )) (( segid " " and resid 875 and name HD3 )) OR { 2738} (( segid " " and resid 841 and name HB2 )) (( segid " " and resid 841 and name HD3 )) OR { 2738} (( segid " " and resid 875 and name HB3 )) (( segid " " and resid 875 and name HD3 )) ASSI { 2745} (( segid " " and resid 841 and name HE3 )) ( segid " " and resid 837 and name HG1%) 2.600 0.800 0.800 peak 2745 spectrum 1 weight 0.10000E+01 volume 0.36222E-02 ppm1 2.737 ppm2 0.847 CV 1 OR { 2745} (( segid " " and resid 875 and name HE3 )) ( segid " " and resid 871 and name HG1%) ASSI { 2748} (( segid " " and resid 875 and name HG3 )) ( segid " " and resid 871 and name HG1%) 3.300 1.300 1.300 peak 2748 spectrum 1 weight 0.10000E+01 volume 0.15528E-02 ppm1 1.596 ppm2 0.848 CV 1 OR { 2748} (( segid " " and resid 875 and name HG3 )) ( segid " " and resid 823 and name HG1%) ASSI { 2750} (( segid " " and resid 875 and name HA )) (( segid " " and resid 874 and name HA )) 3.600 1.600 1.600 peak 2750 spectrum 1 weight 0.10000E+01 volume 0.65889E-03 ppm1 3.755 ppm2 3.859 CV 1 OR { 2750} (( segid " " and resid 875 and name HA )) (( segid " " and resid 876 and name HA2 )) ASSI { 2762} (( segid " " and resid 896 and name HA2 )) (( segid " " and resid 899 and name HB3 )) 3.400 1.400 1.400 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.60935E-03 ppm1 3.864 ppm2 2.158 CV 1 OR { 2762} (( segid " " and resid 896 and name HA2 )) (( segid " " and resid 895 and name HB2 )) ASSI { 2766} (( segid " " and resid 904 and name HA )) (( segid " " and resid 907 and name H )) 2.800 1.000 1.000 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.23973E-02 ppm1 3.926 ppm2 7.825 CV 1 OR { 2766} (( segid " " and resid 904 and name HA )) (( segid " " and resid 905 and name H )) ASSI { 2921} (( segid " " and resid 884 and name HB2 )) (( segid " " and resid 884 and name HG3 )) 2.400 0.700 0.700 peak 2921 spectrum 1 weight 0.10000E+01 volume 0.72659E-02 ppm1 1.996 ppm2 2.237 CV 1 OR { 2921} (( segid " " and resid 884 and name HB3 )) (( segid " " and resid 884 and name HG3 )) OR { 2921} (( segid " " and resid 851 and name HB2 )) (( segid " " and resid 851 and name HG2 )) ASSI { 2949} (( segid " " and resid 888 and name HB2 )) (( segid " " and resid 888 and name HA )) 2.300 0.700 0.700 peak 2949 spectrum 1 weight 0.10000E+01 volume 0.52369E-02 ppm1 2.175 ppm2 3.978 CV 1 OR { 2949} (( segid " " and resid 886 and name HB3 )) (( segid " " and resid 886 and name HA )) ASSI { 2953} (( segid " " and resid 886 and name HG2 )) (( segid " " and resid 886 and name HA )) 3.000 1.100 1.100 peak 2953 spectrum 1 weight 0.10000E+01 volume 0.14631E-02 ppm1 2.413 ppm2 3.998 CV 1 OR { 2953} (( segid " " and resid 886 and name HG2 )) (( segid " " and resid 883 and name HB3 )) ASSI { 2968} (( segid " " and resid 886 and name HB3 )) ( segid " " and resid 877 and name HB% ) 3.700 1.700 1.700 peak 2968 spectrum 1 weight 0.10000E+01 volume 0.55679E-03 ppm1 2.179 ppm2 1.244 CV 1 OR { 2968} (( segid " " and resid 887 and name HB3 )) ( segid " " and resid 877 and name HB% ) ASSI { 2972} (( segid " " and resid 886 and name HA )) ( segid " " and resid 877 and name HB% ) 4.100 2.100 1.900 peak 2972 spectrum 1 weight 0.10000E+01 volume 0.57535E-03 ppm1 3.990 ppm2 1.246 CV 1 OR { 2972} (( segid " " and resid 890 and name HA )) ( segid " " and resid 877 and name HB% ) ASSI { 2981} (( segid " " and resid 906 and name HG2 )) (( segid " " and resid 906 and name HE22)) 3.800 1.800 1.800 peak 2981 spectrum 1 weight 0.10000E+01 volume 0.13858E-02 ppm1 2.405 ppm2 6.752 CV 1 OR { 2981} (( segid " " and resid 887 and name HG3 )) (( segid " " and resid 887 and name HE22)) OR { 2981} (( segid " " and resid 906 and name HG3 )) (( segid " " and resid 906 and name HE22)) ASSI { 2983} (( segid " " and resid 906 and name HG2 )) (( segid " " and resid 906 and name H )) 2.600 0.900 0.900 peak 2983 spectrum 1 weight 0.10000E+01 volume 0.64772E-02 ppm1 2.405 ppm2 7.826 CV 1 OR { 2983} (( segid " " and resid 906 and name HG3 )) (( segid " " and resid 906 and name H )) OR { 2983} (( segid " " and resid 887 and name HG3 )) (( segid " " and resid 887 and name H )) ASSI { 2984} (( segid " " and resid 887 and name HA )) (( segid " " and resid 887 and name H )) 2.600 0.800 0.800 peak 2984 spectrum 1 weight 0.10000E+01 volume 0.35635E-02 ppm1 3.870 ppm2 7.825 CV 1 OR { 2984} (( segid " " and resid 887 and name HA )) (( segid " " and resid 890 and name H )) ASSI { 3011} (( segid " " and resid 889 and name HB2 )) (( segid " " and resid 886 and name HA )) 3.100 1.200 1.200 peak 3011 spectrum 1 weight 0.10000E+01 volume 0.12466E-02 ppm1 1.843 ppm2 3.988 CV 1 OR { 3011} (( segid " " and resid 889 and name HB2 )) (( segid " " and resid 890 and name HA )) ASSI { 3029} ( segid " " and resid 890 and name HD2%) (( segid " " and resid 890 and name HB2 )) 2.500 0.800 0.800 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.50018E-02 ppm1 0.517 ppm2 1.312 CV 1 OR { 3029} ( segid " " and resid 890 and name HD2%) ( segid " " and resid 874 and name HB% ) ASSI { 3033} ( segid " " and resid 890 and name HD1%) (( segid " " and resid 890 and name HB2 )) 2.200 0.600 0.600 peak 3033 spectrum 1 weight 0.10000E+01 volume 0.97905E-02 ppm1 0.692 ppm2 1.315 CV 1 OR { 3033} ( segid " " and resid 890 and name HD1%) ( segid " " and resid 874 and name HB% ) ASSI { 3039} (( segid " " and resid 845 and name HA )) (( segid " " and resid 845 and name HB2 )) 3.000 1.200 1.200 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.23695E-02 ppm1 3.993 ppm2 2.094 CV 1 OR { 3039} (( segid " " and resid 890 and name HA )) (( segid " " and resid 890 and name HB3 )) ASSI { 3061} (( segid " " and resid 890 and name HG )) (( segid " " and resid 890 and name HA )) 3.800 1.800 1.800 peak 3061 spectrum 1 weight 0.10000E+01 volume 0.45781E-03 ppm1 1.426 ppm2 3.980 CV 1 OR { 3061} (( segid " " and resid 890 and name HG )) (( segid " " and resid 891 and name HA )) ASSI { 3069} ( segid " " and resid 890 and name HD1%) (( segid " " and resid 878 and name H )) 3.100 3.100 2.900 peak 3069 spectrum 1 weight 0.10000E+01 volume 0.70220E-03 ppm1 0.693 ppm2 7.988 CV 1 OR { 3069} ( segid " " and resid 890 and name HD1%) (( segid " " and resid 876 and name H )) ASSI { 3074} (( segid " " and resid 897 and name HB2 )) (( segid " " and resid 897 and name H )) 2.800 0.900 0.900 peak 3074 spectrum 1 weight 0.10000E+01 volume 0.22674E-02 ppm1 1.307 ppm2 8.086 CV 1 OR { 3074} (( segid " " and resid 890 and name HB2 )) (( segid " " and resid 891 and name H )) ASSI { 3096} (( segid " " and resid 891 and name HA )) (( segid " " and resid 891 and name HG2 )) 2.400 0.700 0.700 peak 3096 spectrum 1 weight 0.10000E+01 volume 0.53359E-02 ppm1 3.978 ppm2 1.535 CV 1 OR { 3096} (( segid " " and resid 891 and name HA )) ( segid " " and resid 894 and name HB% ) ASSI { 3111} (( segid " " and resid 894 and name HA )) ( segid " " and resid 893 and name HB% ) 3.800 1.800 1.800 peak 3111 spectrum 1 weight 0.10000E+01 volume 0.81045E-03 ppm1 4.160 ppm2 1.393 CV 1 OR { 3111} (( segid " " and resid 894 and name HA )) (( segid " " and resid 897 and name HG )) ASSI { 3138} (( segid " " and resid 810 and name HA )) (( segid " " and resid 813 and name HB2 )) 2.900 1.100 1.100 peak 3138 spectrum 1 weight 0.10000E+01 volume 0.24313E-02 ppm1 4.139 ppm2 3.137 CV 1 OR { 3138} (( segid " " and resid 895 and name HA )) (( segid " " and resid 898 and name HD3 )) OR { 3138} (( segid " " and resid 895 and name HA )) (( segid " " and resid 898 and name HD2 )) ASSI { 3155} (( segid " " and resid 810 and name HA )) ( segid " " and resid 809 and name HG2%) 3.200 1.300 1.300 peak 3155 spectrum 1 weight 0.10000E+01 volume 0.10950E-02 ppm1 4.141 ppm2 1.168 CV 1 OR { 3155} (( segid " " and resid 895 and name HA )) ( segid " " and resid 809 and name HG2%) ASSI { 3159} (( segid " " and resid 810 and name HB2 )) ( segid " " and resid 809 and name HG2%) 4.200 2.200 1.800 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.51658E-03 ppm1 2.116 ppm2 1.167 CV 1 OR { 3159} (( segid " " and resid 810 and name HB2 )) ( segid " " and resid 807 and name HG2%) ASSI { 3168} ( segid " " and resid 897 and name HD1%) (( segid " " and resid 806 and name H )) 4.200 2.200 1.800 peak 3168 spectrum 1 weight 0.10000E+01 volume 0.73311E-03 ppm1 0.861 ppm2 8.462 CV 1 OR { 3168} ( segid " " and resid 897 and name HD1%) (( segid " " and resid 867 and name H )) ASSI { 3179} ( segid " " and resid 897 and name HD1%) (( segid " " and resid 897 and name HA )) 2.900 1.100 1.100 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.29665E-02 ppm1 0.861 ppm2 4.121 CV 1 OR { 3179} ( segid " " and resid 897 and name HD1%) (( segid " " and resid 901 and name HB )) ASSI { 3191} (( segid " " and resid 897 and name HB2 )) (( segid " " and resid 897 and name HG )) 2.500 0.800 0.800 peak 3191 spectrum 1 weight 0.10000E+01 volume 0.27716E-02 ppm1 1.306 ppm2 1.378 CV 1 OR { 3191} (( segid " " and resid 897 and name HB2 )) ( segid " " and resid 866 and name HB% ) ASSI { 3195} ( segid " " and resid 897 and name HD1%) (( segid " " and resid 870 and name HB2 )) 3.800 1.800 1.800 peak 3195 spectrum 1 weight 0.10000E+01 volume 0.16085E-02 ppm1 0.861 ppm2 1.719 CV 1 OR { 3195} ( segid " " and resid 897 and name HD1%) (( segid " " and resid 898 and name HG3 )) ASSI { 3197} ( segid " " and resid 897 and name HD1%) ( segid " " and resid 867 and name HG2%) 3.200 1.300 1.300 peak 3197 spectrum 1 weight 0.10000E+01 volume 0.26757E-02 ppm1 0.861 ppm2 1.101 CV 1 OR { 3197} ( segid " " and resid 897 and name HD1%) ( segid " " and resid 901 and name HG2%) ASSI { 3211} (( segid " " and resid 898 and name HA )) (( segid " " and resid 899 and name H )) 3.200 1.300 1.300 peak 3211 spectrum 1 weight 0.10000E+01 volume 0.14353E-02 ppm1 3.775 ppm2 8.058 CV 1 OR { 3211} (( segid " " and resid 898 and name HA )) (( segid " " and resid 900 and name H )) ASSI { 3236} (( segid " " and resid 899 and name HA )) (( segid " " and resid 902 and name HB3 )) 2.800 1.000 1.000 peak 3236 spectrum 1 weight 0.10000E+01 volume 0.22983E-02 ppm1 4.160 ppm2 2.716 CV 1 OR { 3236} (( segid " " and resid 899 and name HA )) (( segid " " and resid 899 and name HG2 )) ASSI { 3255} (( segid " " and resid 899 and name HG2 )) (( segid " " and resid 899 and name H )) 3.100 1.200 1.200 peak 3255 spectrum 1 weight 0.10000E+01 volume 0.30995E-02 ppm1 2.725 ppm2 8.057 CV 1 OR { 3255} (( segid " " and resid 899 and name HG2 )) (( segid " " and resid 900 and name H )) ASSI { 3256} (( segid " " and resid 899 and name HG3 )) (( segid " " and resid 899 and name H )) 3.300 1.300 1.300 peak 3256 spectrum 1 weight 0.10000E+01 volume 0.25922E-02 ppm1 2.564 ppm2 8.057 CV 1 OR { 3256} (( segid " " and resid 899 and name HG3 )) (( segid " " and resid 900 and name H )) ASSI { 3271} ( segid " " and resid 901 and name HG2%) (( segid " " and resid 901 and name HB )) 1.900 0.500 0.500 peak 3271 spectrum 1 weight 0.10000E+01 volume 0.15287E-01 ppm1 1.085 ppm2 4.127 CV 1 OR { 3271} ( segid " " and resid 901 and name HG2%) (( segid " " and resid 802 and name HB )) ASSI { 3297} ( segid " " and resid 905 and name HB% ) (( segid " " and resid 905 and name H )) 1.900 0.500 0.500 peak 3297 spectrum 1 weight 0.10000E+01 volume 0.21972E-01 ppm1 1.511 ppm2 7.824 CV 1 OR { 3297} ( segid " " and resid 905 and name HB% ) (( segid " " and resid 906 and name H )) ASSI { 3310} ( segid " " and resid 905 and name HB% ) (( segid " " and resid 906 and name HG2 )) 3.300 1.300 1.300 peak 3310 spectrum 1 weight 0.10000E+01 volume 0.14198E-02 ppm1 1.511 ppm2 2.403 CV 1 OR { 3310} ( segid " " and resid 844 and name HB% ) (( segid " " and resid 845 and name HG2 )) OR { 3310} ( segid " " and resid 905 and name HB% ) (( segid " " and resid 906 and name HG3 )) ASSI { 3312} (( segid " " and resid 905 and name HA )) ( segid " " and resid 908 and name HB% ) 3.200 1.200 1.200 peak 3312 spectrum 1 weight 0.10000E+01 volume 0.15312E-02 ppm1 4.169 ppm2 1.289 CV 1 OR { 3312} (( segid " " and resid 905 and name HA )) ( segid " " and resid 904 and name HB% ) ASSI { 3314} ( segid " " and resid 905 and name HB% ) ( segid " " and resid 904 and name HB% ) 3.600 1.600 1.600 peak 3314 spectrum 1 weight 0.10000E+01 volume 0.12837E-02 ppm1 1.512 ppm2 1.294 CV 1 OR { 3314} ( segid " " and resid 905 and name HB% ) ( segid " " and resid 908 and name HB% ) ASSI { 3319} (( segid " " and resid 906 and name HB2 )) (( segid " " and resid 906 and name H )) 2.500 0.800 0.800 peak 3319 spectrum 1 weight 0.10000E+01 volume 0.35449E-02 ppm1 2.104 ppm2 7.828 CV 1 OR { 3319} (( segid " " and resid 906 and name HB2 )) (( segid " " and resid 907 and name H )) ASSI { 3320} (( segid " " and resid 906 and name HB3 )) (( segid " " and resid 906 and name H )) 3.200 1.300 1.300 peak 3320 spectrum 1 weight 0.10000E+01 volume 0.35665E-02 ppm1 2.030 ppm2 7.827 CV 1 OR { 3320} (( segid " " and resid 906 and name HB3 )) (( segid " " and resid 907 and name H )) ASSI { 3379} (( segid " " and resid 909 and name HA )) (( segid " " and resid 908 and name HA )) 3.800 1.800 1.800 peak 3379 spectrum 1 weight 0.10000E+01 volume 0.12002E-02 ppm1 4.029 ppm2 4.257 CV 1 OR { 3379} (( segid " " and resid 909 and name HA )) (( segid " " and resid 910 and name HA )) ASSI { 3426} (( segid " " and resid 885 and name HG3 )) (( segid " " and resid 885 and name HA )) 2.800 1.000 1.000 peak 3426 spectrum 1 weight 0.10000E+01 volume 0.39841E-02 ppm1 2.198 ppm2 4.008 CV 1 OR { 3426} (( segid " " and resid 892 and name HG3 )) (( segid " " and resid 892 and name HA )) ASSI { 3428} (( segid " " and resid 892 and name HG3 )) (( segid " " and resid 892 and name HB2 )) 2.300 0.700 0.700 peak 3428 spectrum 1 weight 0.10000E+01 volume 0.59701E-02 ppm1 2.201 ppm2 1.985 CV 1 OR { 3428} (( segid " " and resid 851 and name HG3 )) (( segid " " and resid 851 and name HB2 )) ASSI { 3479} (( segid " " and resid 829 and name HB2 )) (( segid " " and resid 826 and name HA )) 3.100 1.200 1.200 peak 3479 spectrum 1 weight 0.10000E+01 volume 0.12342E-02 ppm1 2.033 ppm2 3.877 CV 1 OR { 3479} (( segid " " and resid 829 and name HB2 )) (( segid " " and resid 830 and name HA )) ASSI { 3491} (( segid " " and resid 829 and name HB3 )) ( segid " " and resid 870 and name HE% ) 4.700 2.800 1.300 peak 3491 spectrum 1 weight 0.10000E+01 volume 0.51039E-03 ppm1 1.563 ppm2 1.963 CV 1 OR { 3491} (( segid " " and resid 829 and name HB3 )) (( segid " " and resid 808 and name HB )) OR { 3491} (( segid " " and resid 829 and name HB3 )) (( segid " " and resid 828 and name HB )) ASSI { 3493} (( segid " " and resid 829 and name HA )) (( segid " " and resid 828 and name HB )) 3.900 1.900 1.900 peak 3493 spectrum 1 weight 0.10000E+01 volume 0.76402E-03 ppm1 3.813 ppm2 1.963 CV 1 OR { 3493} (( segid " " and resid 829 and name HA )) (( segid " " and resid 808 and name HB )) ASSI { 3501} ( segid " " and resid 829 and name HD2%) (( segid " " and resid 829 and name HB3 )) 2.300 0.700 0.700 peak 3501 spectrum 1 weight 0.10000E+01 volume 0.80733E-02 ppm1 0.896 ppm2 1.559 CV 1 OR { 3501} ( segid " " and resid 850 and name HD2%) (( segid " " and resid 850 and name HB3 )) ASSI { 3506} (( segid " " and resid 829 and name HB3 )) (( segid " " and resid 829 and name HG )) 3.200 1.300 1.300 peak 3506 spectrum 1 weight 0.10000E+01 volume 0.17415E-02 ppm1 1.555 ppm2 1.004 CV 1 OR { 3506} (( segid " " and resid 829 and name HB3 )) ( segid " " and resid 871 and name HG2%) ASSI { 3510} (( segid " " and resid 829 and name HA )) ( segid " " and resid 867 and name HG2%) 3.900 1.900 1.900 peak 3510 spectrum 1 weight 0.10000E+01 volume 0.71143E-03 ppm1 3.825 ppm2 1.101 CV 1 OR { 3510} (( segid " " and resid 829 and name HA )) ( segid " " and resid 804 and name HG2%) ASSI { 3528} (( segid " " and resid 810 and name HB2 )) (( segid " " and resid 810 and name HA )) 2.800 1.000 1.000 peak 3528 spectrum 1 weight 0.10000E+01 volume 0.34769E-02 ppm1 2.139 ppm2 4.138 CV 1 OR { 3528} (( segid " " and resid 895 and name HB2 )) (( segid " " and resid 895 and name HA )) ASSI { 3532} (( segid " " and resid 806 and name HG )) (( segid " " and resid 901 and name HB )) 4.400 2.400 1.600 peak 3532 spectrum 1 weight 0.10000E+01 volume 0.47327E-03 ppm1 1.857 ppm2 4.125 CV 1 OR { 3532} (( segid " " and resid 806 and name HG )) (( segid " " and resid 802 and name HB )) ASSI { 3541} (( segid " " and resid 910 and name HG2 )) (( segid " " and resid 910 and name HB3 )) 2.800 1.000 1.000 peak 3541 spectrum 1 weight 0.10000E+01 volume 0.23076E-02 ppm1 1.342 ppm2 1.664 CV 1 OR { 3541} (( segid " " and resid 861 and name HG3 )) (( segid " " and resid 861 and name HD2 )) OR { 3541} (( segid " " and resid 910 and name HG3 )) (( segid " " and resid 910 and name HB3 )) ASSI { 3542} (( segid " " and resid 910 and name HG3 )) (( segid " " and resid 910 and name HD2 )) 2.400 0.700 0.700 peak 3542 spectrum 1 weight 0.10000E+01 volume 0.67869E-02 ppm1 1.323 ppm2 1.577 CV 1 OR { 3542} (( segid " " and resid 861 and name HG3 )) (( segid " " and resid 861 and name HD3 )) OR { 3542} (( segid " " and resid 910 and name HG3 )) (( segid " " and resid 910 and name HD3 )) ASSI { 3544} (( segid " " and resid 910 and name HG2 )) (( segid " " and resid 910 and name HE3 )) 3.300 1.400 1.400 peak 3544 spectrum 1 weight 0.10000E+01 volume 0.12033E-02 ppm1 1.363 ppm2 2.904 CV 1 OR { 3544} (( segid " " and resid 861 and name HG3 )) (( segid " " and resid 861 and name HE2 )) OR { 3544} (( segid " " and resid 861 and name HG3 )) (( segid " " and resid 861 and name HE3 )) OR { 3544} (( segid " " and resid 910 and name HG2 )) (( segid " " and resid 910 and name HE2 )) ASSI { 3546} (( segid " " and resid 911 and name HG2 )) (( segid " " and resid 911 and name HE3 )) 3.200 1.200 1.200 peak 3546 spectrum 1 weight 0.10000E+01 volume 0.16085E-02 ppm1 1.304 ppm2 2.899 CV 1 OR { 3546} (( segid " " and resid 911 and name HG3 )) (( segid " " and resid 911 and name HE3 )) OR { 3546} (( segid " " and resid 911 and name HG2 )) (( segid " " and resid 911 and name HE2 )) OR { 3546} (( segid " " and resid 911 and name HG3 )) (( segid " " and resid 911 and name HE2 )) OR { 3546} (( segid " " and resid 910 and name HG3 )) (( segid " " and resid 910 and name HE2 )) ASSI { 3601} ( segid " " and resid 878 and name HB% ) (( segid " " and resid 887 and name HE21)) 3.600 3.600 2.400 peak 3601 spectrum 1 weight 0.10000E+01 volume 0.11662E-02 ppm1 1.390 ppm2 7.338 CV 1 OR { 3601} ( segid " " and resid 819 and name HB% ) (( segid " " and resid 887 and name HE21)) ASSI { 3602} ( segid " " and resid 819 and name HB% ) (( segid " " and resid 881 and name HA )) 3.200 1.300 1.300 peak 3602 spectrum 1 weight 0.10000E+01 volume 0.19364E-02 ppm1 1.390 ppm2 4.457 CV 1 OR { 3602} ( segid " " and resid 878 and name HB% ) (( segid " " and resid 881 and name HA )) ASSI { 3603} (( segid " " and resid 821 and name HA )) (( segid " " and resid 821 and name HB3 )) 2.900 1.000 1.000 peak 3603 spectrum 1 weight 0.10000E+01 volume 0.25519E-02 ppm1 4.307 ppm2 1.926 CV 1 OR { 3603} (( segid " " and resid 821 and name HA )) (( segid " " and resid 824 and name HB2 )) OR { 3603} (( segid " " and resid 821 and name HA )) (( segid " " and resid 824 and name HB3 )) ASSI { 3604} ( segid " " and resid 812 and name HG2%) (( segid " " and resid 815 and name HB2 )) 3.900 1.900 1.900 peak 3604 spectrum 1 weight 0.10000E+01 volume 0.10517E-02 ppm1 0.493 ppm2 3.975 CV 1 OR { 3604} ( segid " " and resid 812 and name HG2%) (( segid " " and resid 890 and name HA )) OR { 3604} ( segid " " and resid 812 and name HG2%) (( segid " " and resid 878 and name HA )) ASSI { 3606} ( segid " " and resid 802 and name HG2%) (( segid " " and resid 805 and name HB )) 3.800 1.800 1.800 peak 3606 spectrum 1 weight 0.10000E+01 volume 0.23045E-02 ppm1 1.162 ppm2 1.856 CV 1 OR { 3606} ( segid " " and resid 802 and name HG2%) (( segid " " and resid 836 and name HB2 )) ASSI { 3608} ( segid " " and resid 805 and name HG2%) (( segid " " and resid 897 and name HG )) 3.400 1.400 1.400 peak 3608 spectrum 1 weight 0.10000E+01 volume 0.24282E-02 ppm1 0.728 ppm2 1.410 CV 1 OR { 3608} ( segid " " and resid 805 and name HG2%) ( segid " " and resid 832 and name HB% ) OR { 3608} ( segid " " and resid 805 and name HG2%) ( segid " " and resid 900 and name HB% ) OR { 3608} ( segid " " and resid 805 and name HG2%) ( segid " " and resid 866 and name HB% ) ASSI { 3612} ( segid " " and resid 806 and name HD1%) (( segid " " and resid 901 and name HB )) 2.400 0.700 0.700 peak 3612 spectrum 1 weight 0.10000E+01 volume 0.47637E-02 ppm1 0.805 ppm2 4.126 CV 1 OR { 3612} ( segid " " and resid 806 and name HD1%) (( segid " " and resid 802 and name HB )) ASSI { 3614} ( segid " " and resid 809 and name HG2%) (( segid " " and resid 811 and name HA )) 3.000 3.000 3.000 peak 3614 spectrum 1 weight 0.10000E+01 volume 0.43987E-02 ppm1 1.168 ppm2 4.451 CV 1 OR { 3614} ( segid " " and resid 809 and name HG2%) (( segid " " and resid 902 and name HA )) ASSI { 3616} ( segid " " and resid 808 and name HG2%) (( segid " " and resid 809 and name HB )) 3.900 2.000 2.000 peak 3616 spectrum 1 weight 0.10000E+01 volume 0.10641E-02 ppm1 1.002 ppm2 4.210 CV 1 OR { 3616} ( segid " " and resid 808 and name HG1%) (( segid " " and resid 809 and name HB )) OR { 3616} (( segid " " and resid 829 and name HG )) (( segid " " and resid 809 and name HB )) OR { 3616} ( segid " " and resid 808 and name HG1%) (( segid " " and resid 832 and name HA )) OR { 3616} ( segid " " and resid 808 and name HG2%) (( segid " " and resid 832 and name HA )) ASSI { 3619} ( segid " " and resid 871 and name HG1%) (( segid " " and resid 875 and name H )) 3.700 1.700 1.700 peak 3619 spectrum 1 weight 0.10000E+01 volume 0.12156E-02 ppm1 0.848 ppm2 7.992 CV 1 OR { 3619} ( segid " " and resid 823 and name HG1%) (( segid " " and resid 875 and name H )) OR { 3619} ( segid " " and resid 823 and name HG1%) (( segid " " and resid 878 and name H )) OR { 3619} ( segid " " and resid 823 and name HG1%) (( segid " " and resid 876 and name H )) ASSI { 3620} ( segid " " and resid 837 and name HG1%) (( segid " " and resid 838 and name HD21)) 4.000 2.000 2.000 peak 3620 spectrum 1 weight 0.10000E+01 volume 0.78876E-03 ppm1 0.848 ppm2 7.592 CV 1 OR { 3620} ( segid " " and resid 837 and name HG1%) (( segid " " and resid 836 and name H )) OR { 3620} ( segid " " and resid 823 and name HG1%) (( segid " " and resid 828 and name H )) ASSI { 3621} ( segid " " and resid 823 and name HG1%) (( segid " " and resid 820 and name HA2 )) 3.700 1.700 1.700 peak 3621 spectrum 1 weight 0.10000E+01 volume 0.10888E-02 ppm1 0.848 ppm2 3.685 CV 1 OR { 3621} ( segid " " and resid 837 and name HG1%) (( segid " " and resid 841 and name HA )) ASSI { 3622} ( segid " " and resid 894 and name HB% ) (( segid " " and resid 895 and name HG2 )) 3.500 1.500 1.500 peak 3622 spectrum 1 weight 0.10000E+01 volume 0.11538E-02 ppm1 1.535 ppm2 2.265 CV 1 OR { 3622} ( segid " " and resid 844 and name HB% ) (( segid " " and resid 845 and name HG3 )) OR { 3622} ( segid " " and resid 894 and name HB% ) (( segid " " and resid 895 and name HG3 )) ASSI { 3623} ( segid " " and resid 894 and name HB% ) ( segid " " and resid 812 and name HG2%) 2.600 0.800 0.800 peak 3623 spectrum 1 weight 0.10000E+01 volume 0.18869E-02 ppm1 1.537 ppm2 0.495 CV 1 OR { 3623} ( segid " " and resid 894 and name HB% ) ( segid " " and resid 890 and name HD2%) ASSI { 3629} ( segid " " and resid 901 and name HG2%) (( segid " " and resid 803 and name HA )) 2.500 2.500 3.500 peak 3629 spectrum 1 weight 0.10000E+01 volume 0.56391E-02 ppm1 1.105 ppm2 4.342 CV 1 OR { 3629} ( segid " " and resid 901 and name HG2%) (( segid " " and resid 804 and name HB )) OR { 3629} ( segid " " and resid 833 and name HG2%) (( segid " " and resid 865 and name HA )) OR { 3629} ( segid " " and resid 833 and name HG2%) (( segid " " and resid 835 and name HA )) ASSI { 3631} ( segid " " and resid 903 and name HB% ) (( segid " " and resid 902 and name HB3 )) 3.400 1.400 1.400 peak 3631 spectrum 1 weight 0.10000E+01 volume 0.12559E-02 ppm1 1.418 ppm2 2.712 CV 1 OR { 3631} ( segid " " and resid 903 and name HB% ) (( segid " " and resid 907 and name HB2 )) OR { 3631} ( segid " " and resid 903 and name HB% ) (( segid " " and resid 907 and name HB3 )) ASSI { 3632} (( segid " " and resid 831 and name HG3 )) ( segid " " and resid 832 and name HB% ) 4.000 2.000 2.000 peak 3632 spectrum 1 weight 0.10000E+01 volume 0.84753E-03 ppm1 2.324 ppm2 1.406 CV 1 OR { 3632} (( segid " " and resid 831 and name HG2 )) ( segid " " and resid 832 and name HB% ) OR { 3632} (( segid " " and resid 831 and name HG2 )) ( segid " " and resid 830 and name HB% ) OR { 3632} (( segid " " and resid 831 and name HG3 )) ( segid " " and resid 830 and name HB% ) ASSI { 3633} (( segid " " and resid 860 and name HA )) (( segid " " and resid 858 and name HA )) 3.300 3.300 2.700 peak 3633 spectrum 1 weight 0.10000E+01 volume 0.16611E-02 ppm1 3.868 ppm2 4.209 CV 1 OR { 3633} (( segid " " and resid 830 and name HA )) (( segid " " and resid 832 and name HA )) OR { 3633} (( segid " " and resid 860 and name HA )) (( segid " " and resid 836 and name HA )) OR { 3633} (( segid " " and resid 830 and name HA )) (( segid " " and resid 870 and name HA )) ASSI { 3636} ( segid " " and resid 822 and name HE% ) ( segid " " and resid 816 and name HE% ) 2.400 0.700 0.700 peak 3636 spectrum 1 weight 0.10000E+01 volume 0.85035E-02 ppm1 1.871 ppm2 1.971 CV 1 OR { 3636} ( segid " " and resid 822 and name HE% ) (( segid " " and resid 812 and name HB )) ASSI { 3639} ( segid " " and resid 897 and name HD2%) (( segid " " and resid 894 and name HA )) 3.600 1.600 1.600 peak 3639 spectrum 1 weight 0.10000E+01 volume 0.16704E-02 ppm1 0.814 ppm2 4.203 CV 1 OR { 3639} ( segid " " and resid 806 and name HD2%) (( segid " " and resid 799 and name HA )) OR { 3639} ( segid " " and resid 806 and name HD2%) (( segid " " and resid 905 and name HA )) OR { 3639} ( segid " " and resid 806 and name HD2%) (( segid " " and resid 809 and name HB )) OR { 3639} ( segid " " and resid 806 and name HD2%) (( segid " " and resid 899 and name HA )) ASSI { 3640} ( segid " " and resid 897 and name HD2%) (( segid " " and resid 833 and name HB )) 3.100 1.200 1.200 peak 3640 spectrum 1 weight 0.10000E+01 volume 0.14631E-02 ppm1 0.798 ppm2 4.022 CV 1 OR { 3640} ( segid " " and resid 897 and name HD2%) (( segid " " and resid 900 and name HA )) ASSI { 3644} (( segid " " and resid 857 and name HB2 )) (( segid " " and resid 854 and name HA )) 3.000 1.100 1.100 peak 3644 spectrum 1 weight 0.10000E+01 volume 0.18003E-02 ppm1 1.799 ppm2 3.891 CV 1 OR { 3644} (( segid " " and resid 857 and name HB2 )) (( segid " " and resid 857 and name HA )) ASSI { 3645} (( segid " " and resid 859 and name HA )) (( segid " " and resid 860 and name H )) 3.300 1.300 1.300 peak 3645 spectrum 1 weight 0.10000E+01 volume 0.14229E-02 ppm1 4.047 ppm2 8.250 CV 1 OR { 3645} (( segid " " and resid 859 and name HA )) (( segid " " and resid 858 and name H )) ASSI { 3648} ( segid " " and resid 863 and name HD1%) (( segid " " and resid 836 and name HA )) 3.400 3.400 2.600 peak 3648 spectrum 1 weight 0.10000E+01 volume 0.93727E-03 ppm1 0.698 ppm2 4.210 CV 1 OR { 3648} ( segid " " and resid 863 and name HD1%) (( segid " " and resid 905 and name HA )) OR { 3648} ( segid " " and resid 863 and name HD1%) (( segid " " and resid 809 and name HB )) OR { 3648} ( segid " " and resid 863 and name HD1%) (( segid " " and resid 894 and name HA )) OR { 3648} ( segid " " and resid 863 and name HD1%) (( segid " " and resid 870 and name HA )) ASSI { 3654} ( segid " " and resid 804 and name HG2%) (( segid " " and resid 808 and name HB )) 3.300 1.400 1.400 peak 3654 spectrum 1 weight 0.10000E+01 volume 0.15683E-02 ppm1 1.111 ppm2 1.949 CV 1 OR { 3654} ( segid " " and resid 804 and name HG2%) (( segid " " and resid 828 and name HB )) OR { 3654} ( segid " " and resid 867 and name HG2%) (( segid " " and resid 897 and name HB3 )) ASSI { 3658} ( segid " " and resid 870 and name HE% ) ( segid " " and resid 826 and name HB% ) 2.400 0.700 0.700 peak 3658 spectrum 1 weight 0.10000E+01 volume 0.12293E-01 ppm1 1.949 ppm2 1.408 CV 1 OR { 3658} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 890 and name HG )) OR { 3658} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 897 and name HG )) ASSI { 3660} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 890 and name HA )) 3.400 1.500 1.500 peak 3660 spectrum 1 weight 0.10000E+01 volume 0.27345E-02 ppm1 1.950 ppm2 3.985 CV 1 OR { 3660} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 891 and name HA )) ASSI { 3661} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 826 and name H )) 3.200 1.300 1.300 peak 3661 spectrum 1 weight 0.10000E+01 volume 0.20756E-02 ppm1 1.949 ppm2 8.177 CV 1 OR { 3661} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 873 and name H )) ASSI { 3662} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 809 and name H )) 3.400 1.500 1.500 peak 3662 spectrum 1 weight 0.10000E+01 volume 0.10919E-02 ppm1 1.950 ppm2 7.972 CV 1 OR { 3662} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 875 and name H )) OR { 3662} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 878 and name H )) OR { 3662} ( segid " " and resid 870 and name HE% ) (( segid " " and resid 876 and name H )) ASSI { 3664} ( segid " " and resid 787 and name HB% ) (( segid " " and resid 784 and name HA )) 3.200 1.300 1.300 peak 3664 spectrum 1 weight 0.10000E+01 volume 0.80116E-03 ppm1 1.231 ppm2 4.242 CV 1 OR { 3664} ( segid " " and resid 787 and name HB% ) (( segid " " and resid 789 and name HA )) ASSI { 3667} (( segid " " and resid 872 and name HG3 )) (( segid " " and resid 869 and name HG2 )) 4.000 2.000 2.000 peak 3667 spectrum 1 weight 0.10000E+01 volume 0.60629E-03 ppm1 2.265 ppm2 1.356 CV 1 OR { 3667} (( segid " " and resid 872 and name HG3 )) ( segid " " and resid 873 and name HB% ) OR { 3667} (( segid " " and resid 872 and name HG2 )) ( segid " " and resid 873 and name HB% ) OR { 3667} (( segid " " and resid 872 and name HG2 )) ( segid " " and resid 874 and name HB% ) OR { 3667} (( segid " " and resid 872 and name HG3 )) ( segid " " and resid 874 and name HB% ) ASSI { 3668} ( segid " " and resid 874 and name HB% ) (( segid " " and resid 823 and name HB )) 3.800 1.900 1.900 peak 3668 spectrum 1 weight 0.10000E+01 volume 0.75474E-03 ppm1 1.309 ppm2 2.023 CV 1 OR { 3668} ( segid " " and resid 874 and name HB% ) (( segid " " and resid 829 and name HB2 )) OR { 3668} ( segid " " and resid 874 and name HB% ) ( segid " " and resid 816 and name HE% ) OR { 3668} ( segid " " and resid 874 and name HB% ) (( segid " " and resid 872 and name HB3 )) OR { 3668} ( segid " " and resid 874 and name HB% ) (( segid " " and resid 897 and name HB3 )) OR { 3668} ( segid " " and resid 904 and name HB% ) (( segid " " and resid 906 and name HB3 )) ASSI { 3675} ( segid " " and resid 890 and name HD2%) (( segid " " and resid 813 and name HZ )) 2.900 2.900 3.100 peak 3675 spectrum 1 weight 0.10000E+01 volume 0.99292E-03 ppm1 0.517 ppm2 7.026 CV 1 OR { 3675} ( segid " " and resid 890 and name HD2%) (( segid " " and resid 816 and name H )) ASSI { 3676} (( segid " " and resid 895 and name HA )) (( segid " " and resid 813 and name HZ )) 3.800 1.800 1.800 peak 3676 spectrum 1 weight 0.10000E+01 volume 0.81350E-03 ppm1 4.136 ppm2 7.021 CV 1 OR { 3676} (( segid " " and resid 810 and name HA )) (( segid " " and resid 813 and name HZ )) ASSI { 3678} ( segid " " and resid 897 and name HD1%) ( segid " " and resid 897 and name HD2%) 2.400 0.700 0.700 peak 3678 spectrum 1 weight 0.10000E+01 volume 0.49214E-02 ppm1 0.860 ppm2 0.800 CV 1 OR { 3678} ( segid " " and resid 897 and name HD1%) ( segid " " and resid 829 and name HD1%) ASSI { 3681} (( segid " " and resid 829 and name HB3 )) (( segid " " and resid 897 and name HG )) 3.300 1.300 1.300 peak 3681 spectrum 1 weight 0.10000E+01 volume 0.16673E-02 ppm1 1.557 ppm2 1.416 CV 1 OR { 3681} (( segid " " and resid 829 and name HB3 )) ( segid " " and resid 832 and name HB% ) OR { 3681} (( segid " " and resid 829 and name HB3 )) ( segid " " and resid 830 and name HB% ) OR { 3681} (( segid " " and resid 829 and name HB3 )) ( segid " " and resid 826 and name HB% ) ASSI { 3682} ( segid " " and resid 829 and name HD1%) (( segid " " and resid 897 and name HG )) 2.400 0.700 0.700 peak 3682 spectrum 1 weight 0.10000E+01 volume 0.83548E-02 ppm1 0.759 ppm2 1.414 CV 1 OR { 3682} ( segid " " and resid 829 and name HD1%) ( segid " " and resid 826 and name HB% ) ASSI { 3683} (( segid " " and resid 854 and name HD2 )) (( segid " " and resid 851 and name HB3 )) 3.000 1.100 1.100 peak 3683 spectrum 1 weight 0.10000E+01 volume 0.79499E-03 ppm1 3.135 ppm2 2.095 CV 1 OR { 3683} (( segid " " and resid 898 and name HD2 )) (( segid " " and resid 810 and name HB2 )) OR { 3683} (( segid " " and resid 889 and name HD2 )) (( segid " " and resid 888 and name HB3 )) OR { 3683} (( segid " " and resid 898 and name HD3 )) (( segid " " and resid 810 and name HB2 )) OR { 3683} (( segid " " and resid 889 and name HD2 )) (( segid " " and resid 885 and name HG2 )) OR { 3683} (( segid " " and resid 889 and name HD3 )) (( segid " " and resid 888 and name HB3 )) OR { 3683} (( segid " " and resid 854 and name HD3 )) (( segid " " and resid 851 and name HB3 )) OR { 3683} (( segid " " and resid 898 and name HD3 )) (( segid " " and resid 895 and name HB3 )) OR { 3683} (( segid " " and resid 898 and name HD3 )) (( segid " " and resid 899 and name HB2 )) OR { 3683} (( segid " " and resid 898 and name HD2 )) (( segid " " and resid 899 and name HB2 )) OR { 3683} (( segid " " and resid 898 and name HD2 )) (( segid " " and resid 895 and name HB3 )) OR { 3683} (( segid " " and resid 889 and name HD3 )) (( segid " " and resid 885 and name HG2 )) ASSI { 4} (( segid " " and resid 851 and name H )) (( segid " " and resid 851 and name HB3 )) 4.500 2.600 1.500 peak 4 spectrum 1 weight 0.10000E+01 volume 0.30811E-03 ppm1 8.205 ppm2 2.077 CV 1 OR { 4} (( segid " " and resid 785 and name H )) (( segid " " and resid 784 and name HB3 )) ASSI { 22} (( segid " " and resid 787 and name H )) (( segid " " and resid 786 and name HA )) 2.600 0.900 0.900 peak 22 spectrum 1 weight 0.10000E+01 volume 0.40884E-02 ppm1 8.049 ppm2 4.133 CV 1 OR { 22} (( segid " " and resid 787 and name H )) (( segid " " and resid 787 and name HA )) ASSI { 110} (( segid " " and resid 799 and name H )) (( segid " " and resid 797 and name HB3 )) 4.600 2.600 1.400 peak 110 spectrum 1 weight 0.10000E+01 volume 0.25902E-03 ppm1 7.566 ppm2 1.153 CV 1 OR { 110} (( segid " " and resid 799 and name H )) ( segid " " and resid 802 and name HG2%) ASSI { 116} (( segid " " and resid 800 and name H )) (( segid " " and resid 800 and name HG3 )) 4.200 2.200 1.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.46894E-03 ppm1 8.448 ppm2 2.298 CV 1 OR { 116} (( segid " " and resid 822 and name H )) (( segid " " and resid 818 and name HB3 )) ASSI { 127} (( segid " " and resid 800 and name HE22)) (( segid " " and resid 800 and name HG2 )) 4.800 2.800 1.200 peak 127 spectrum 1 weight 0.10000E+01 volume 0.42324E-03 ppm1 6.797 ppm2 2.370 CV 1 OR { 127} (( segid " " and resid 888 and name HE22)) (( segid " " and resid 888 and name HG3 )) OR { 127} (( segid " " and resid 888 and name HE22)) (( segid " " and resid 888 and name HG2 )) ASSI { 146} (( segid " " and resid 802 and name H )) (( segid " " and resid 801 and name H )) 2.500 0.800 0.800 peak 146 spectrum 1 weight 0.10000E+01 volume 0.40529E-02 ppm1 8.413 ppm2 8.230 CV 1 OR { 146} (( segid " " and resid 802 and name H )) (( segid " " and resid 803 and name H )) ASSI { 162} (( segid " " and resid 818 and name H )) (( segid " " and resid 821 and name HB3 )) 4.700 2.800 1.300 peak 162 spectrum 1 weight 0.10000E+01 volume 0.19299E-03 ppm1 8.216 ppm2 1.947 CV 1 OR { 162} (( segid " " and resid 803 and name H )) (( segid " " and resid 806 and name HB2 )) ASSI { 163} (( segid " " and resid 818 and name H )) ( segid " " and resid 822 and name HE% ) 4.400 2.400 1.600 peak 163 spectrum 1 weight 0.10000E+01 volume 0.39107E-03 ppm1 8.217 ppm2 1.869 CV 1 OR { 163} (( segid " " and resid 803 and name H )) (( segid " " and resid 806 and name HG )) ASSI { 231} (( segid " " and resid 806 and name H )) (( segid " " and resid 805 and name HB )) 2.300 0.700 0.700 peak 231 spectrum 1 weight 0.10000E+01 volume 0.47030E-02 ppm1 8.463 ppm2 1.858 CV 1 OR { 231} (( segid " " and resid 806 and name H )) (( segid " " and resid 806 and name HG )) ASSI { 243} (( segid " " and resid 807 and name H )) (( segid " " and resid 805 and name HB )) 4.200 2.200 1.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.67717E-03 ppm1 8.290 ppm2 1.859 CV 1 OR { 243} (( segid " " and resid 807 and name H )) (( segid " " and resid 806 and name HG )) ASSI { 302} (( segid " " and resid 810 and name H )) (( segid " " and resid 808 and name HB )) 4.400 2.400 1.600 peak 302 spectrum 1 weight 0.10000E+01 volume 0.39954E-03 ppm1 7.441 ppm2 1.960 CV 1 OR { 302} (( segid " " and resid 810 and name H )) (( segid " " and resid 812 and name HB )) ASSI { 326} (( segid " " and resid 811 and name H )) (( segid " " and resid 814 and name H )) 4.200 2.200 1.800 peak 326 spectrum 1 weight 0.10000E+01 volume 0.37922E-03 ppm1 8.151 ppm2 8.534 CV 1 OR { 326} (( segid " " and resid 811 and name H )) (( segid " " and resid 808 and name H )) ASSI { 463} (( segid " " and resid 822 and name H )) (( segid " " and resid 821 and name H )) 2.400 0.700 0.700 peak 463 spectrum 1 weight 0.10000E+01 volume 0.44711E-02 ppm1 8.481 ppm2 7.759 CV 1 OR { 463} (( segid " " and resid 822 and name H )) (( segid " " and resid 823 and name H )) ASSI { 532} (( segid " " and resid 825 and name H )) ( segid " " and resid 823 and name HG1%) 4.500 2.500 1.500 peak 532 spectrum 1 weight 0.10000E+01 volume 0.45201E-03 ppm1 8.430 ppm2 0.853 CV 1 OR { 532} (( segid " " and resid 825 and name H )) (( segid " " and resid 812 and name HG12)) ASSI { 548} (( segid " " and resid 826 and name H )) (( segid " " and resid 825 and name HB3 )) 3.600 1.600 1.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.11546E-02 ppm1 8.214 ppm2 1.831 CV 1 OR { 548} (( segid " " and resid 826 and name H )) (( segid " " and resid 812 and name HG13)) ASSI { 587} (( segid " " and resid 836 and name H )) (( segid " " and resid 836 and name HB2 )) 2.400 0.700 0.700 peak 587 spectrum 1 weight 0.10000E+01 volume 0.32166E-02 ppm1 7.590 ppm2 1.905 CV 1 OR { 587} (( segid " " and resid 828 and name H )) (( segid " " and resid 827 and name HB2 )) ASSI { 597} (( segid " " and resid 836 and name H )) ( segid " " and resid 836 and name HD2%) 3.600 1.600 1.600 peak 597 spectrum 1 weight 0.10000E+01 volume 0.16269E-02 ppm1 7.591 ppm2 0.701 CV 1 OR { 597} (( segid " " and resid 836 and name H )) ( segid " " and resid 805 and name HD1%) ASSI { 628} (( segid " " and resid 830 and name H )) ( segid " " and resid 871 and name HG2%) 3.600 1.600 1.600 peak 628 spectrum 1 weight 0.10000E+01 volume 0.12155E-02 ppm1 8.176 ppm2 0.999 CV 1 OR { 628} (( segid " " and resid 830 and name H )) (( segid " " and resid 829 and name HG )) ASSI { 633} (( segid " " and resid 861 and name H )) ( segid " " and resid 837 and name HG2%) 4.500 2.600 1.500 peak 633 spectrum 1 weight 0.10000E+01 volume 0.32335E-03 ppm1 7.687 ppm2 0.998 CV 1 OR { 633} (( segid " " and resid 831 and name H )) ( segid " " and resid 871 and name HG2%) ASSI { 634} (( segid " " and resid 831 and name H )) ( segid " " and resid 828 and name HG2%) 4.200 2.200 1.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.40123E-03 ppm1 7.686 ppm2 0.845 CV 1 OR { 634} (( segid " " and resid 861 and name H )) ( segid " " and resid 837 and name HG1%) ASSI { 656} (( segid " " and resid 832 and name H )) (( segid " " and resid 829 and name HA )) 3.200 1.300 1.300 peak 656 spectrum 1 weight 0.10000E+01 volume 0.11038E-02 ppm1 8.358 ppm2 3.808 CV 1 OR { 656} (( segid " " and resid 866 and name H )) (( segid " " and resid 862 and name HA )) ASSI { 663} (( segid " " and resid 866 and name H )) ( segid " " and resid 833 and name HG2%) 4.200 2.200 1.800 peak 663 spectrum 1 weight 0.10000E+01 volume 0.64332E-03 ppm1 8.359 ppm2 1.103 CV 1 OR { 663} (( segid " " and resid 832 and name H )) ( segid " " and resid 804 and name HG2%) OR { 663} (( segid " " and resid 832 and name H )) ( segid " " and resid 867 and name HG2%) OR { 663} (( segid " " and resid 866 and name H )) ( segid " " and resid 867 and name HG2%) ASSI { 667} (( segid " " and resid 833 and name H )) ( segid " " and resid 833 and name HG2%) 3.300 1.400 1.400 peak 667 spectrum 1 weight 0.10000E+01 volume 0.27053E-02 ppm1 8.710 ppm2 1.106 CV 1 OR { 667} (( segid " " and resid 833 and name H )) ( segid " " and resid 867 and name HG2%) ASSI { 674} (( segid " " and resid 833 and name H )) (( segid " " and resid 831 and name HA )) 4.000 2.000 2.000 peak 674 spectrum 1 weight 0.10000E+01 volume 0.71102E-03 ppm1 8.710 ppm2 3.947 CV 1 OR { 674} (( segid " " and resid 833 and name H )) (( segid " " and resid 834 and name HB2 )) ASSI { 691} (( segid " " and resid 834 and name H )) (( segid " " and resid 833 and name HA )) 3.100 1.200 1.200 peak 691 spectrum 1 weight 0.10000E+01 volume 0.14729E-02 ppm1 8.006 ppm2 3.856 CV 1 OR { 691} (( segid " " and resid 878 and name H )) (( segid " " and resid 874 and name HA )) ASSI { 788} (( segid " " and resid 839 and name H )) (( segid " " and resid 838 and name HD21)) 4.200 2.200 1.800 peak 788 spectrum 1 weight 0.10000E+01 volume 0.38260E-03 ppm1 7.797 ppm2 7.601 CV 1 OR { 788} (( segid " " and resid 839 and name H )) (( segid " " and resid 836 and name H )) ASSI { 816} (( segid " " and resid 867 and name H )) ( segid " " and resid 833 and name HG2%) 3.400 1.400 1.400 peak 816 spectrum 1 weight 0.10000E+01 volume 0.19401E-02 ppm1 8.472 ppm2 1.109 CV 1 OR { 816} (( segid " " and resid 867 and name H )) ( segid " " and resid 867 and name HG2%) ASSI { 827} (( segid " " and resid 867 and name H )) ( segid " " and resid 866 and name HB% ) 3.800 1.800 1.800 peak 827 spectrum 1 weight 0.10000E+01 volume 0.53835E-03 ppm1 8.495 ppm2 1.375 CV 1 OR { 827} (( segid " " and resid 841 and name H )) (( segid " " and resid 840 and name HG13)) ASSI { 830} (( segid " " and resid 867 and name H )) (( segid " " and resid 897 and name HA )) 5.100 3.300 0.900 peak 830 spectrum 1 weight 0.10000E+01 volume 0.27426E-03 ppm1 8.498 ppm2 4.126 CV 1 OR { 830} (( segid " " and resid 841 and name H )) (( segid " " and resid 842 and name HA )) ASSI { 835} (( segid " " and resid 841 and name H )) (( segid " " and resid 841 and name HA )) 2.700 0.900 0.900 peak 835 spectrum 1 weight 0.10000E+01 volume 0.27358E-02 ppm1 8.498 ppm2 3.706 CV 1 OR { 835} (( segid " " and resid 867 and name H )) (( segid " " and resid 867 and name HA )) ASSI { 859} (( segid " " and resid 842 and name H )) ( segid " " and resid 840 and name HG2%) 4.400 2.400 1.600 peak 859 spectrum 1 weight 0.10000E+01 volume 0.42662E-03 ppm1 7.753 ppm2 0.787 CV 1 OR { 859} (( segid " " and resid 842 and name H )) ( segid " " and resid 857 and name HD2%) ASSI { 872} (( segid " " and resid 826 and name H )) (( segid " " and resid 827 and name H )) 3.700 1.700 1.700 peak 872 spectrum 1 weight 0.10000E+01 volume 0.41985E-03 ppm1 8.234 ppm2 7.859 CV 1 OR { 872} (( segid " " and resid 843 and name H )) (( segid " " and resid 845 and name H )) ASSI { 883} (( segid " " and resid 844 and name H )) (( segid " " and resid 845 and name HA )) 4.900 3.000 1.100 peak 883 spectrum 1 weight 0.10000E+01 volume 0.33012E-03 ppm1 8.791 ppm2 4.016 CV 1 OR { 883} (( segid " " and resid 844 and name H )) (( segid " " and resid 853 and name HA )) ASSI { 888} (( segid " " and resid 844 and name H )) (( segid " " and resid 847 and name HB2 )) 4.700 2.700 1.300 peak 888 spectrum 1 weight 0.10000E+01 volume 0.31997E-03 ppm1 8.791 ppm2 2.083 CV 1 OR { 888} (( segid " " and resid 844 and name H )) (( segid " " and resid 845 and name HB2 )) ASSI { 893} (( segid " " and resid 844 and name H )) (( segid " " and resid 841 and name HB3 )) 4.600 2.700 1.400 peak 893 spectrum 1 weight 0.10000E+01 volume 0.30642E-03 ppm1 8.790 ppm2 1.786 CV 1 OR { 893} (( segid " " and resid 844 and name H )) (( segid " " and resid 841 and name HB2 )) OR { 893} (( segid " " and resid 844 and name H )) (( segid " " and resid 856 and name HG )) ASSI { 896} (( segid " " and resid 844 and name H )) ( segid " " and resid 857 and name HD2%) 3.700 1.700 1.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.10344E-02 ppm1 8.790 ppm2 0.791 CV 1 OR { 896} (( segid " " and resid 844 and name H )) ( segid " " and resid 840 and name HG2%) ASSI { 926} (( segid " " and resid 846 and name H )) (( segid " " and resid 845 and name HB2 )) 3.300 1.300 1.300 peak 926 spectrum 1 weight 0.10000E+01 volume 0.12189E-02 ppm1 7.525 ppm2 2.080 CV 1 OR { 926} (( segid " " and resid 846 and name H )) (( segid " " and resid 847 and name HB2 )) ASSI { 981} (( segid " " and resid 851 and name H )) (( segid " " and resid 850 and name HB3 )) 2.900 1.000 1.000 peak 981 spectrum 1 weight 0.10000E+01 volume 0.14678E-02 ppm1 8.230 ppm2 1.562 CV 1 OR { 981} (( segid " " and resid 785 and name H )) (( segid " " and resid 784 and name HB2 )) ASSI { 996} (( segid " " and resid 860 and name H )) (( segid " " and resid 863 and name H )) 4.400 2.400 1.600 peak 996 spectrum 1 weight 0.10000E+01 volume 0.26579E-03 ppm1 8.268 ppm2 7.898 CV 1 OR { 996} (( segid " " and resid 852 and name H )) (( segid " " and resid 855 and name H )) ASSI { 1013} (( segid " " and resid 852 and name H )) (( segid " " and resid 854 and name HB2 )) 4.800 2.800 1.200 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.23701E-03 ppm1 8.270 ppm2 1.927 CV 1 OR { 1013} (( segid " " and resid 852 and name H )) (( segid " " and resid 855 and name HB3 )) ASSI { 1015} (( segid " " and resid 852 and name H )) (( segid " " and resid 850 and name HB2 )) 4.000 2.000 2.000 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.27595E-03 ppm1 8.271 ppm2 1.693 CV 1 OR { 1015} (( segid " " and resid 852 and name H )) (( segid " " and resid 855 and name HD2 )) ASSI { 1070} (( segid " " and resid 855 and name H )) (( segid " " and resid 856 and name H )) 2.400 0.700 0.700 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.55258E-02 ppm1 7.897 ppm2 7.965 CV 1 OR { 1070} (( segid " " and resid 903 and name H )) (( segid " " and resid 902 and name H )) ASSI { 1079} (( segid " " and resid 863 and name H )) (( segid " " and resid 863 and name HB3 )) 2.100 0.600 0.600 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.10346E-01 ppm1 7.895 ppm2 1.417 CV 1 OR { 1079} (( segid " " and resid 903 and name H )) ( segid " " and resid 903 and name HB% ) ASSI { 1080} (( segid " " and resid 903 and name H )) ( segid " " and resid 904 and name HB% ) 4.200 2.200 1.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.66195E-03 ppm1 7.895 ppm2 1.301 CV 1 OR { 1080} (( segid " " and resid 863 and name H )) ( segid " " and resid 904 and name HB% ) ASSI { 1103} (( segid " " and resid 857 and name H )) ( segid " " and resid 860 and name HB% ) 4.200 2.200 1.800 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.49603E-03 ppm1 8.263 ppm2 1.461 CV 1 OR { 1103} (( segid " " and resid 857 and name H )) ( segid " " and resid 859 and name HB% ) ASSI { 1104} (( segid " " and resid 857 and name H )) (( segid " " and resid 856 and name HB3 )) 3.300 1.300 1.300 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.28001E-02 ppm1 8.263 ppm2 1.387 CV 1 OR { 1104} (( segid " " and resid 857 and name H )) (( segid " " and resid 857 and name HB3 )) ASSI { 1107} (( segid " " and resid 858 and name H )) ( segid " " and resid 857 and name HD2%) 3.700 1.700 1.700 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.10648E-02 ppm1 8.232 ppm2 0.792 CV 1 OR { 1107} (( segid " " and resid 858 and name H )) ( segid " " and resid 840 and name HG2%) ASSI { 1113} (( segid " " and resid 858 and name H )) (( segid " " and resid 854 and name HB3 )) 3.900 1.900 1.900 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.31997E-03 ppm1 8.234 ppm2 1.894 CV 1 OR { 1113} (( segid " " and resid 858 and name H )) (( segid " " and resid 861 and name HB2 )) ASSI { 1125} (( segid " " and resid 859 and name H )) (( segid " " and resid 856 and name HA )) 2.700 0.900 0.900 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.37380E-02 ppm1 7.781 ppm2 3.944 CV 1 OR { 1125} (( segid " " and resid 859 and name H )) (( segid " " and resid 858 and name HB2 )) OR { 1125} (( segid " " and resid 859 and name H )) (( segid " " and resid 858 and name HB3 )) ASSI { 1143} (( segid " " and resid 861 and name H )) ( segid " " and resid 840 and name HG2%) 3.200 1.300 1.300 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.58237E-03 ppm1 7.704 ppm2 0.781 CV 1 OR { 1143} (( segid " " and resid 861 and name H )) ( segid " " and resid 857 and name HD2%) ASSI { 1148} (( segid " " and resid 862 and name H )) ( segid " " and resid 860 and name HB% ) 4.000 2.000 2.000 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.81092E-03 ppm1 7.995 ppm2 1.458 CV 1 OR { 1148} (( segid " " and resid 862 and name H )) ( segid " " and resid 859 and name HB% ) ASSI { 1149} (( segid " " and resid 862 and name H )) (( segid " " and resid 861 and name HG3 )) 4.400 2.400 1.600 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.50619E-03 ppm1 7.995 ppm2 1.351 CV 1 OR { 1149} (( segid " " and resid 889 and name H )) ( segid " " and resid 873 and name HB% ) ASSI { 1155} (( segid " " and resid 889 and name H )) (( segid " " and resid 886 and name HA )) 3.400 1.500 1.500 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.84142E-03 ppm1 7.996 ppm2 3.979 CV 1 OR { 1155} (( segid " " and resid 889 and name H )) (( segid " " and resid 888 and name HA )) OR { 1155} (( segid " " and resid 862 and name H )) (( segid " " and resid 861 and name HA )) ASSI { 1162} (( segid " " and resid 855 and name H )) (( segid " " and resid 853 and name H )) 4.000 2.000 2.000 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.45032E-03 ppm1 7.896 ppm2 8.378 CV 1 OR { 1162} (( segid " " and resid 863 and name H )) (( segid " " and resid 866 and name H )) ASSI { 1170} (( segid " " and resid 855 and name H )) (( segid " " and resid 854 and name HB2 )) 2.600 0.900 0.900 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.44372E-02 ppm1 7.898 ppm2 1.937 CV 1 OR { 1170} (( segid " " and resid 855 and name H )) (( segid " " and resid 855 and name HB3 )) ASSI { 1172} (( segid " " and resid 855 and name H )) (( segid " " and resid 854 and name HG3 )) 4.000 2.000 2.000 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.73981E-03 ppm1 7.898 ppm2 1.796 CV 1 OR { 1172} (( segid " " and resid 855 and name H )) (( segid " " and resid 856 and name HG )) ASSI { 1176} (( segid " " and resid 903 and name H )) ( segid " " and resid 901 and name HG2%) 5.100 3.300 0.900 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.23363E-03 ppm1 7.886 ppm2 1.097 CV 1 OR { 1176} (( segid " " and resid 863 and name H )) ( segid " " and resid 833 and name HG2%) ASSI { 1265} (( segid " " and resid 870 and name H )) (( segid " " and resid 869 and name HG2 )) 3.800 1.800 1.800 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.82109E-03 ppm1 7.720 ppm2 1.367 CV 1 OR { 1265} (( segid " " and resid 870 and name H )) ( segid " " and resid 866 and name HB% ) OR { 1265} (( segid " " and resid 870 and name H )) ( segid " " and resid 873 and name HB% ) ASSI { 1301} (( segid " " and resid 871 and name H )) ( segid " " and resid 826 and name HB% ) 4.400 2.500 1.600 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.55867E-03 ppm1 8.853 ppm2 1.408 CV 1 OR { 1301} (( segid " " and resid 871 and name H )) ( segid " " and resid 893 and name HB% ) ASSI { 1311} (( segid " " and resid 872 and name H )) ( segid " " and resid 893 and name HB% ) 4.800 2.900 1.200 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.26918E-03 ppm1 7.782 ppm2 1.409 CV 1 OR { 1311} (( segid " " and resid 872 and name H )) ( segid " " and resid 826 and name HB% ) ASSI { 1339} (( segid " " and resid 874 and name H )) ( segid " " and resid 826 and name HB% ) 4.200 2.200 1.800 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.79905E-03 ppm1 8.862 ppm2 1.414 CV 1 OR { 1339} (( segid " " and resid 874 and name H )) (( segid " " and resid 890 and name HG )) ASSI { 1345} (( segid " " and resid 874 and name H )) (( segid " " and resid 871 and name HB )) 3.800 1.800 1.800 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.34028E-03 ppm1 8.862 ppm2 2.116 CV 1 OR { 1345} (( segid " " and resid 874 and name H )) (( segid " " and resid 870 and name HG3 )) ASSI { 1386} (( segid " " and resid 877 and name H )) (( segid " " and resid 878 and name H )) 2.400 0.700 0.700 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.52363E-02 ppm1 8.220 ppm2 7.990 CV 1 OR { 1386} (( segid " " and resid 877 and name H )) (( segid " " and resid 876 and name H )) ASSI { 1397} (( segid " " and resid 877 and name H )) (( segid " " and resid 890 and name HB2 )) 3.800 1.800 1.800 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.58406E-03 ppm1 8.220 ppm2 1.310 CV 1 OR { 1397} (( segid " " and resid 877 and name H )) ( segid " " and resid 874 and name HB% ) ASSI { 1494} (( segid " " and resid 886 and name H )) (( segid " " and resid 885 and name HG2 )) 4.300 2.400 1.700 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.32843E-03 ppm1 7.873 ppm2 2.096 CV 1 OR { 1494} (( segid " " and resid 886 and name H )) (( segid " " and resid 888 and name HB3 )) ASSI { 1534} (( segid " " and resid 887 and name HE21)) (( segid " " and resid 884 and name HA )) 4.300 2.300 1.700 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.40292E-03 ppm1 7.338 ppm2 3.953 CV 1 OR { 1534} (( segid " " and resid 887 and name HE21)) (( segid " " and resid 878 and name HA )) ASSI { 1554} (( segid " " and resid 888 and name H )) (( segid " " and resid 888 and name HB2 )) 2.400 0.700 0.700 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.51533E-02 ppm1 8.302 ppm2 2.175 CV 1 OR { 1554} (( segid " " and resid 888 and name H )) (( segid " " and resid 887 and name HB2 )) ASSI { 1570} (( segid " " and resid 862 and name H )) (( segid " " and resid 862 and name HB )) 2.700 0.900 0.900 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.21399E-02 ppm1 8.022 ppm2 1.848 CV 1 OR { 1570} (( segid " " and resid 889 and name H )) (( segid " " and resid 889 and name HB2 )) ASSI { 1572} (( segid " " and resid 862 and name H )) (( segid " " and resid 862 and name HG13)) 2.800 1.000 1.000 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.13510E-02 ppm1 8.022 ppm2 1.647 CV 1 OR { 1572} (( segid " " and resid 889 and name H )) (( segid " " and resid 889 and name HG2 )) ASSI { 1573} (( segid " " and resid 862 and name H )) (( segid " " and resid 863 and name HB3 )) 5.200 3.400 0.800 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.16083E-03 ppm1 8.020 ppm2 1.414 CV 1 OR { 1573} (( segid " " and resid 854 and name H )) (( segid " " and resid 855 and name HG3 )) ASSI { 1579} (( segid " " and resid 889 and name H )) (( segid " " and resid 886 and name HA )) 2.800 1.000 1.000 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.25529E-02 ppm1 8.023 ppm2 3.988 CV 1 OR { 1579} (( segid " " and resid 862 and name H )) (( segid " " and resid 861 and name HA )) ASSI { 1582} (( segid " " and resid 890 and name H )) (( segid " " and resid 890 and name HG )) 4.000 2.000 2.000 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.10276E-02 ppm1 7.835 ppm2 1.419 CV 1 OR { 1582} (( segid " " and resid 890 and name H )) ( segid " " and resid 893 and name HB% ) ASSI { 1588} (( segid " " and resid 890 and name H )) (( segid " " and resid 886 and name HB3 )) 3.900 1.900 1.900 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.39784E-03 ppm1 7.835 ppm2 2.179 CV 1 OR { 1588} (( segid " " and resid 890 and name H )) (( segid " " and resid 887 and name HB3 )) ASSI { 1592} (( segid " " and resid 890 and name H )) (( segid " " and resid 889 and name HG3 )) 4.000 2.000 2.000 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.48926E-03 ppm1 7.835 ppm2 1.790 CV 1 OR { 1592} (( segid " " and resid 890 and name H )) (( segid " " and resid 891 and name HG3 )) ASSI { 1615} (( segid " " and resid 891 and name H )) (( segid " " and resid 890 and name HG )) 3.700 1.700 1.700 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.65854E-03 ppm1 8.074 ppm2 1.420 CV 1 OR { 1615} (( segid " " and resid 891 and name H )) ( segid " " and resid 893 and name HB% ) ASSI { 1621} (( segid " " and resid 891 and name HE )) (( segid " " and resid 888 and name HA )) 4.800 2.900 1.200 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.19976E-03 ppm1 7.230 ppm2 3.971 CV 1 OR { 1621} (( segid " " and resid 891 and name HE )) (( segid " " and resid 891 and name HA )) ASSI { 1637} (( segid " " and resid 893 and name H )) (( segid " " and resid 891 and name H )) 3.600 1.600 1.600 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.79059E-03 ppm1 8.426 ppm2 8.066 CV 1 OR { 1637} (( segid " " and resid 893 and name H )) (( segid " " and resid 895 and name H )) ASSI { 1648} (( segid " " and resid 894 and name H )) (( segid " " and resid 897 and name HB3 )) 4.100 2.100 1.900 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.46217E-03 ppm1 8.616 ppm2 1.999 CV 1 OR { 1648} (( segid " " and resid 894 and name H )) (( segid " " and resid 891 and name HB3 )) ASSI { 1669} (( segid " " and resid 896 and name H )) (( segid " " and resid 895 and name HA )) 3.000 1.100 1.100 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.18098E-02 ppm1 8.113 ppm2 4.146 CV 1 OR { 1669} (( segid " " and resid 896 and name H )) (( segid " " and resid 893 and name HA )) ASSI { 1682} (( segid " " and resid 897 and name H )) ( segid " " and resid 866 and name HB% ) 3.700 1.700 1.700 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.18013E-02 ppm1 8.085 ppm2 1.377 CV 1 OR { 1682} (( segid " " and resid 897 and name H )) (( segid " " and resid 897 and name HG )) ASSI { 1704} (( segid " " and resid 898 and name H )) (( segid " " and resid 897 and name HG )) 4.200 2.200 1.800 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.77366E-03 ppm1 8.685 ppm2 1.382 CV 1 OR { 1704} (( segid " " and resid 898 and name H )) ( segid " " and resid 900 and name HB% ) OR { 1704} (( segid " " and resid 898 and name H )) ( segid " " and resid 866 and name HB% ) ASSI { 1708} (( segid " " and resid 898 and name H )) ( segid " " and resid 897 and name HD2%) 4.100 2.100 1.900 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.62298E-03 ppm1 8.684 ppm2 0.809 CV 1 OR { 1708} (( segid " " and resid 898 and name H )) ( segid " " and resid 806 and name HD1%) ASSI { 1714} (( segid " " and resid 899 and name H )) ( segid " " and resid 897 and name HD2%) 4.800 2.900 1.200 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.22347E-03 ppm1 8.052 ppm2 0.809 CV 1 OR { 1714} (( segid " " and resid 899 and name H )) ( segid " " and resid 806 and name HD1%) ASSI { 1904} (( segid " " and resid 806 and name H )) ( segid " " and resid 802 and name HG2%) 4.500 2.500 1.500 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.54512E-03 ppm1 8.463 ppm2 1.166 CV 1 OR { 1904} (( segid " " and resid 806 and name H )) ( segid " " and resid 807 and name HG2%) ASSI { 1907} (( segid " " and resid 826 and name H )) (( segid " " and resid 825 and name HG3 )) 4.600 2.600 1.400 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.52312E-03 ppm1 8.214 ppm2 2.023 CV 1 OR { 1907} (( segid " " and resid 826 and name H )) (( segid " " and resid 823 and name HB )) OR { 1907} (( segid " " and resid 826 and name H )) (( segid " " and resid 829 and name HB2 )) ASSI { 1908} (( segid " " and resid 827 and name H )) ( segid " " and resid 871 and name HG2%) 4.700 2.800 1.300 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.33520E-03 ppm1 7.868 ppm2 0.956 CV 1 OR { 1908} (( segid " " and resid 827 and name H )) (( segid " " and resid 829 and name HG )) OR { 1908} (( segid " " and resid 827 and name H )) (( segid " " and resid 828 and name HG12)) OR { 1908} (( segid " " and resid 827 and name H )) ( segid " " and resid 808 and name HG1%) ASSI { 1909} (( segid " " and resid 829 and name H )) ( segid " " and resid 830 and name HB% ) 3.700 1.700 1.700 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.13374E-02 ppm1 8.601 ppm2 1.419 CV 1 OR { 1909} (( segid " " and resid 829 and name H )) ( segid " " and resid 826 and name HB% ) OR { 1909} (( segid " " and resid 829 and name H )) ( segid " " and resid 832 and name HB% ) ASSI { 1910} (( segid " " and resid 830 and name H )) (( segid " " and resid 828 and name HB )) 3.700 1.700 1.700 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.69239E-03 ppm1 8.176 ppm2 1.952 CV 1 OR { 1910} (( segid " " and resid 830 and name H )) (( segid " " and resid 827 and name HB3 )) ASSI { 1912} (( segid " " and resid 841 and name H )) (( segid " " and resid 839 and name HA )) 4.000 2.000 2.000 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.38937E-03 ppm1 8.471 ppm2 4.207 CV 1 OR { 1912} (( segid " " and resid 867 and name H )) (( segid " " and resid 870 and name HA )) ASSI { 1913} (( segid " " and resid 867 and name H )) (( segid " " and resid 865 and name HA )) 2.600 0.900 0.900 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.46251E-02 ppm1 8.472 ppm2 4.343 CV 1 OR { 1913} (( segid " " and resid 841 and name H )) (( segid " " and resid 838 and name HA )) ASSI { 1914} (( segid " " and resid 842 and name H )) (( segid " " and resid 841 and name HG2 )) 3.500 1.500 1.500 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.88708E-03 ppm1 7.753 ppm2 1.593 CV 1 OR { 1914} (( segid " " and resid 842 and name H )) ( segid " " and resid 839 and name HB% ) OR { 1914} (( segid " " and resid 842 and name H )) (( segid " " and resid 841 and name HD3 )) ASSI { 1915} (( segid " " and resid 852 and name HD22)) (( segid " " and resid 849 and name HB3 )) 3.600 1.600 1.600 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.54174E-03 ppm1 7.056 ppm2 2.892 CV 1 OR { 1915} (( segid " " and resid 852 and name HD22)) (( segid " " and resid 855 and name HE2 )) OR { 1915} (( segid " " and resid 852 and name HD22)) (( segid " " and resid 855 and name HE3 )) ASSI { 1916} (( segid " " and resid 870 and name H )) ( segid " " and resid 897 and name HD2%) 4.400 2.400 1.600 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.62469E-03 ppm1 7.720 ppm2 0.858 CV 1 OR { 1916} (( segid " " and resid 870 and name H )) ( segid " " and resid 871 and name HG1%) OR { 1916} (( segid " " and resid 870 and name H )) ( segid " " and resid 897 and name HD1%) ASSI { 1918} (( segid " " and resid 883 and name H )) (( segid " " and resid 886 and name HB3 )) 4.500 2.600 1.500 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.49095E-03 ppm1 7.404 ppm2 2.175 CV 1 OR { 1918} (( segid " " and resid 883 and name H )) (( segid " " and resid 887 and name HB2 )) OR { 1918} (( segid " " and resid 883 and name H )) (( segid " " and resid 887 and name HB3 )) ASSI { 1919} (( segid " " and resid 887 and name HE21)) ( segid " " and resid 878 and name HB% ) 3.100 3.100 2.900 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.61117E-03 ppm1 7.337 ppm2 1.392 CV 1 OR { 1919} (( segid " " and resid 887 and name HE21)) ( segid " " and resid 819 and name HB% ) OR { 1919} (( segid " " and resid 887 and name HE21)) (( segid " " and resid 890 and name HG )) ASSI { 1920} (( segid " " and resid 888 and name H )) (( segid " " and resid 886 and name HB2 )) 3.700 1.700 1.700 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.60100E-03 ppm1 8.302 ppm2 1.993 CV 1 OR { 1920} (( segid " " and resid 888 and name H )) (( segid " " and resid 889 and name HB3 )) OR { 1920} (( segid " " and resid 888 and name H )) (( segid " " and resid 885 and name HB3 )) OR { 1920} (( segid " " and resid 888 and name H )) ( segid " " and resid 816 and name HE% ) OR { 1920} (( segid " " and resid 888 and name H )) (( segid " " and resid 891 and name HB3 )) ASSI { 1921} (( segid " " and resid 888 and name H )) (( segid " " and resid 888 and name HG3 )) 3.900 1.900 1.900 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.17810E-02 ppm1 8.302 ppm2 2.369 CV 1 OR { 1921} (( segid " " and resid 888 and name H )) (( segid " " and resid 888 and name HG2 )) OR { 1921} (( segid " " and resid 888 and name H )) (( segid " " and resid 887 and name HG3 )) ASSI { 1922} (( segid " " and resid 893 and name H )) (( segid " " and resid 890 and name HA )) 3.100 1.200 1.200 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.15406E-02 ppm1 8.426 ppm2 3.999 CV 1 OR { 1922} (( segid " " and resid 893 and name H )) (( segid " " and resid 892 and name HA )) OR { 1922} (( segid " " and resid 893 and name H )) (( segid " " and resid 889 and name HA )) ASSI { 8} ( segid " " and resid 798 and name HE% ) (( segid " " and resid 839 and name HA )) 4.100 2.100 1.900 peak 8 spectrum 1 weight 0.10000E+01 volume 0.65907E-03 ppm1 6.545 ppm2 4.175 CV 1 OR { 8} ( segid " " and resid 798 and name HE% ) (( segid " " and resid 905 and name HA )) ASSI { 40} (( segid " " and resid 827 and name HE )) (( segid " " and resid 827 and name HG2 )) 3.200 1.300 1.300 peak 40 spectrum 1 weight 0.10000E+01 volume 0.11251E-02 ppm1 7.338 ppm2 1.547 CV 1 OR { 40} ( segid " " and resid 813 and name HD% ) ( segid " " and resid 894 and name HB% ) ASSI { 50} (( segid " " and resid 847 and name H )) (( segid " " and resid 846 and name HA2 )) 3.600 1.600 1.600 peak 50 spectrum 1 weight 0.10000E+01 volume 0.85917E-03 ppm1 7.130 ppm2 4.155 CV 1 OR { 50} ( segid " " and resid 813 and name HE% ) (( segid " " and resid 810 and name HA ))
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