NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
502257 | 2l9b | 17161 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
!! !!distance restraints classified as unambiguous !!derived from manually assigned noesy spectra !! ASSI { 3} ( segid "RN14" and resid 658 and name HD2%) ( segid "RN14" and resid 661 and name HD% ) 4.800 2.900 1.200 peak 3 spectrum 1 weight 0.10000E+01 volume 0.13811E-02 ppm1 1.040 ppm2 7.016 CV 1 ASSI { 15} (( segid "RN15" and resid 148 and name HG )) ( segid "RN15" and resid 145 and name HD% ) 3.800 1.800 1.800 peak 15 spectrum 1 weight 0.10000E+01 volume 0.70799E-03 ppm1 1.841 ppm2 7.234 CV 1 ASSI { 30} (( segid "RN15" and resid 148 and name HA )) (( segid "RN15" and resid 149 and name HD1 )) 2.100 0.500 0.500 peak 30 spectrum 1 weight 0.10000E+01 volume 0.27449E-02 ppm1 4.271 ppm2 3.921 CV 1 ASSI { 45} (( segid "RN14" and resid 638 and name HB2 )) (( segid "RN14" and resid 638 and name HA )) 2.200 0.600 0.600 peak 45 spectrum 1 weight 0.10000E+01 volume 0.45549E-02 ppm1 1.513 ppm2 4.133 CV 1 ASSI { 69} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 177 and name HA )) 2.800 1.000 1.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.21899E-02 ppm1 0.687 ppm2 3.779 CV 1 ASSI { 70} ( segid "RN14" and resid 639 and name HD1%) (( segid "RN15" and resid 149 and name HD1 )) 3.000 1.100 1.100 peak 70 spectrum 1 weight 0.10000E+01 volume 0.13629E-02 ppm1 0.809 ppm2 3.919 CV 1 ASSI { 76} (( segid "RN14" and resid 658 and name HG )) (( segid "RN14" and resid 658 and name HA )) 3.500 1.500 1.500 peak 76 spectrum 1 weight 0.10000E+01 volume 0.89648E-03 ppm1 1.622 ppm2 4.266 CV 1 ASSI { 92} ( segid "RN14" and resid 658 and name HD2%) (( segid "RN14" and resid 658 and name HA )) 4.300 2.300 1.700 peak 92 spectrum 1 weight 0.10000E+01 volume 0.13161E-02 ppm1 1.057 ppm2 4.268 CV 1 ASSI { 123} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 141 and name HA )) 1.900 0.400 0.400 peak 123 spectrum 1 weight 0.10000E+01 volume 0.11080E-01 ppm1 0.961 ppm2 4.155 CV 1 ASSI { 128} ( segid "RN14" and resid 638 and name HD1%) (( segid "RN14" and resid 638 and name HA )) 2.100 0.500 0.500 peak 128 spectrum 1 weight 0.10000E+01 volume 0.89631E-02 ppm1 0.444 ppm2 4.132 CV 1 ASSI { 133} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN15" and resid 224 and name HA )) 2.000 0.500 0.500 peak 133 spectrum 1 weight 0.10000E+01 volume 0.74078E-02 ppm1 0.447 ppm2 4.012 CV 1 ASSI { 137} ( segid "RN14" and resid 662 and name HD1%) (( segid "RN15" and resid 185 and name HA )) 3.500 1.500 1.500 peak 137 spectrum 1 weight 0.10000E+01 volume 0.21319E-02 ppm1 0.859 ppm2 4.522 CV 1 ASSI { 143} ( segid "RN15" and resid 148 and name HD1%) (( segid "RN15" and resid 149 and name HD2 )) 4.600 2.700 1.400 peak 143 spectrum 1 weight 0.10000E+01 volume 0.11377E-02 ppm1 0.748 ppm2 3.385 CV 1 ASSI { 144} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN15" and resid 216 and name HB1 )) 4.300 2.300 1.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.13398E-02 ppm1 0.906 ppm2 2.692 CV 1 ASSI { 152} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN14" and resid 648 and name HB2 )) 3.300 1.400 1.400 peak 152 spectrum 1 weight 0.10000E+01 volume 0.16417E-02 ppm1 0.927 ppm2 2.904 CV 1 ASSI { 153} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN15" and resid 203 and name HB1 )) 3.000 1.100 1.100 peak 153 spectrum 1 weight 0.10000E+01 volume 0.17589E-02 ppm1 0.929 ppm2 2.626 CV 1 ASSI { 159} ( segid "RN14" and resid 638 and name HD1%) (( segid "RN15" and resid 172 and name HE2 )) 3.000 1.100 1.100 peak 159 spectrum 1 weight 0.10000E+01 volume 0.30051E-02 ppm1 0.443 ppm2 2.786 CV 1 ASSI { 163} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN14" and resid 661 and name HB1 )) 2.700 0.900 0.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.43080E-02 ppm1 0.576 ppm2 3.233 CV 1 ASSI { 197} (( segid "RN14" and resid 653 and name HA )) ( segid "RN14" and resid 653 and name HD2%) 2.000 0.500 0.500 peak 197 spectrum 1 weight 0.10000E+01 volume 0.62180E-02 ppm1 4.440 ppm2 0.711 CV 1 ASSI { 203} (( segid "RN15" and resid 212 and name HA )) ( segid "RN15" and resid 212 and name HD2%) 2.000 0.500 0.500 peak 203 spectrum 1 weight 0.10000E+01 volume 0.61974E-02 ppm1 4.036 ppm2 0.743 CV 1 ASSI { 213} (( segid "RN14" and resid 638 and name HA )) ( segid "RN14" and resid 641 and name HG2%) 2.100 0.500 0.500 peak 213 spectrum 1 weight 0.10000E+01 volume 0.68657E-02 ppm1 4.132 ppm2 0.922 CV 1 ASSI { 218} (( segid "RN15" and resid 205 and name HA )) ( segid "RN15" and resid 208 and name HG2%) 3.100 1.200 1.200 peak 218 spectrum 1 weight 0.10000E+01 volume 0.23151E-02 ppm1 4.062 ppm2 1.035 CV 1 ASSI { 267} (( segid "RN14" and resid 662 and name HA )) (( segid "RN14" and resid 666 and name HB )) 1.800 0.400 0.400 peak 267 spectrum 1 weight 0.10000E+01 volume 0.33076E-02 ppm1 3.753 ppm2 1.827 CV 1 ASSI { 280} (( segid "RN15" and resid 224 and name HA )) (( segid "RN15" and resid 227 and name HG )) 2.400 0.700 0.700 peak 280 spectrum 1 weight 0.10000E+01 volume 0.22178E-02 ppm1 4.015 ppm2 1.457 CV 1 OR { 280} (( segid "RN15" and resid 224 and name HA )) (( segid "RN15" and resid 227 and name HB1 )) ASSI { 289} (( segid "RN15" and resid 205 and name HA )) (( segid "RN15" and resid 208 and name HB )) 1.800 0.400 0.400 peak 289 spectrum 1 weight 0.10000E+01 volume 0.38554E-02 ppm1 4.059 ppm2 2.104 CV 1 ASSI { 314} (( segid "RN14" and resid 631 and name HB1 )) (( segid "RN14" and resid 631 and name HB2 )) 1.800 0.400 0.400 peak 314 spectrum 1 weight 0.10000E+01 volume 0.39282E-02 ppm1 1.247 ppm2 0.939 CV 1 ASSI { 322} (( segid "RN14" and resid 662 and name HB1 )) ( segid "RN14" and resid 662 and name HD1%) 3.600 1.600 1.600 peak 322 spectrum 1 weight 0.10000E+01 volume 0.26898E-02 ppm1 1.769 ppm2 0.858 CV 1 ASSI { 328} (( segid "RN14" and resid 631 and name HB2 )) ( segid "RN14" and resid 636 and name HD2%) 2.700 0.900 0.900 peak 328 spectrum 1 weight 0.10000E+01 volume 0.10255E-02 ppm1 0.938 ppm2 0.749 CV 1 ASSI { 383} (( segid "RN14" and resid 662 and name HG )) ( segid "RN14" and resid 662 and name HD1%) 2.300 0.600 0.600 peak 383 spectrum 1 weight 0.10000E+01 volume 0.59169E-02 ppm1 1.616 ppm2 0.858 CV 1 ASSI { 404} ( segid "RN15" and resid 227 and name HD1%) ( segid "RN14" and resid 658 and name HD1%) 2.000 0.500 0.500 peak 404 spectrum 1 weight 0.10000E+01 volume 0.54020E-02 ppm1 0.379 ppm2 0.959 CV 1 ASSI { 405} ( segid "RN15" and resid 227 and name HD1%) ( segid "RN15" and resid 227 and name HD2%) 2.100 0.500 0.500 peak 405 spectrum 1 weight 0.10000E+01 volume 0.97913E-02 ppm1 0.380 ppm2 0.577 CV 1 ASSI { 412} ( segid "RN14" and resid 638 and name HD2%) (( segid "RN14" and resid 638 and name HG )) 2.100 0.500 0.500 peak 412 spectrum 1 weight 0.10000E+01 volume 0.70822E-02 ppm1 0.295 ppm2 1.356 CV 1 ASSI { 417} ( segid "RN14" and resid 631 and name HD1%) ( segid "RN14" and resid 636 and name HD2%) 2.200 0.600 0.600 peak 417 spectrum 1 weight 0.10000E+01 volume 0.71730E-02 ppm1 0.188 ppm2 0.746 CV 1 ASSI { 418} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 631 and name HB2 )) 3.100 1.200 1.200 peak 418 spectrum 1 weight 0.10000E+01 volume 0.37459E-02 ppm1 -0.073 ppm2 0.940 CV 1 ASSI { 420} ( segid "RN14" and resid 631 and name HD2%) ( segid "RN14" and resid 636 and name HD2%) 3.500 1.600 1.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.45363E-02 ppm1 -0.072 ppm2 0.746 CV 1 ASSI { 421} ( segid "RN14" and resid 631 and name HD2%) ( segid "RN15" and resid 198 and name HD2%) 2.200 0.600 0.600 peak 421 spectrum 1 weight 0.10000E+01 volume 0.54863E-02 ppm1 -0.071 ppm2 0.689 CV 1 ASSI { 427} ( segid "RN15" and resid 227 and name HD2%) ( segid "RN14" and resid 658 and name HD1%) 2.300 0.700 0.700 peak 427 spectrum 1 weight 0.10000E+01 volume 0.31632E-02 ppm1 0.577 ppm2 0.960 CV 1 ASSI { 429} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN15" and resid 227 and name HG )) 3.500 1.500 1.500 peak 429 spectrum 1 weight 0.10000E+01 volume 0.30327E-02 ppm1 0.449 ppm2 1.462 CV 1 OR { 429} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN15" and resid 227 and name HB1 )) ASSI { 434} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 172 and name HD1 )) 3.900 1.900 1.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.14497E-02 ppm1 0.616 ppm2 1.620 CV 1 OR { 434} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 172 and name HG1 )) ASSI { 438} ( segid "RN15" and resid 205 and name HD1%) ( segid "RN14" and resid 638 and name HD2%) 3.300 1.300 1.300 peak 438 spectrum 1 weight 0.10000E+01 volume 0.31879E-02 ppm1 0.644 ppm2 0.281 CV 1 ASSI { 439} ( segid "RN15" and resid 148 and name HD2%) ( segid "RN14" and resid 631 and name HD1%) 2.300 0.700 0.700 peak 439 spectrum 1 weight 0.10000E+01 volume 0.51277E-02 ppm1 0.619 ppm2 0.188 CV 1 ASSI { 440} ( segid "RN14" and resid 631 and name HD1%) ( segid "RN14" and resid 631 and name HD2%) 2.000 0.500 0.500 peak 440 spectrum 1 weight 0.10000E+01 volume 0.13205E-01 ppm1 0.188 ppm2 -0.071 CV 1 ASSI { 480} ( segid "RN15" and resid 178 and name HD1%) (( segid "RN15" and resid 178 and name HG )) 2.000 0.500 0.500 peak 480 spectrum 1 weight 0.10000E+01 volume 0.17547E-01 ppm1 0.865 ppm2 1.856 CV 1 OR { 480} ( segid "RN15" and resid 178 and name HD1%) (( segid "RN15" and resid 178 and name HB1 )) ASSI { 487} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 148 and name HG )) 2.900 1.000 1.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.12218E-01 ppm1 0.986 ppm2 1.824 CV 1 ASSI { 488} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 201 and name HB1 )) 2.300 0.600 0.600 peak 488 spectrum 1 weight 0.10000E+01 volume 0.18137E-01 ppm1 0.973 ppm2 1.933 CV 1 OR { 488} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 201 and name HG )) ASSI { 535} ( segid "RN15" and resid 205 and name HD2%) (( segid "RN15" and resid 205 and name HB1 )) 2.300 0.700 0.700 peak 535 spectrum 1 weight 0.10000E+01 volume 0.52282E-02 ppm1 0.628 ppm2 1.507 CV 1 ASSI { 547} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN15" and resid 149 and name HD1 )) 4.600 2.600 1.400 peak 547 spectrum 1 weight 0.10000E+01 volume 0.78053E-03 ppm1 0.187 ppm2 3.909 CV 1 ASSI { 550} (( segid "RN14" and resid 652 and name HG )) (( segid "RN14" and resid 649 and name HA )) 4.000 2.000 2.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.77162E-03 ppm1 1.592 ppm2 4.938 CV 1 ASSI { 552} (( segid "RN14" and resid 662 and name HA )) (( segid "RN14" and resid 666 and name HA )) 4.900 3.000 1.100 peak 552 spectrum 1 weight 0.10000E+01 volume 0.86844E-03 ppm1 3.751 ppm2 4.057 CV 1 ASSI { 561} (( segid "RN15" and resid 199 and name HA )) (( segid "RN15" and resid 202 and name HB2 )) 3.800 1.800 1.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.41844E-03 ppm1 3.987 ppm2 2.463 CV 1 ASSI { 581} (( segid "RN15" and resid 198 and name HB1 )) (( segid "RN15" and resid 198 and name HA )) 3.700 1.700 1.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.58770E-03 ppm1 2.236 ppm2 3.805 CV 1 ASSI { 602} (( segid "RN14" and resid 638 and name HB2 )) (( segid "RN14" and resid 638 and name HG )) 2.600 0.800 0.800 peak 602 spectrum 1 weight 0.10000E+01 volume 0.58930E-02 ppm1 1.514 ppm2 1.358 CV 1 ASSI { 606} (( segid "RN14" and resid 631 and name HB1 )) (( segid "RN14" and resid 636 and name HG )) 3.600 1.600 1.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.78219E-03 ppm1 1.254 ppm2 1.492 CV 1 OR { 606} (( segid "RN14" and resid 631 and name HB1 )) (( segid "RN14" and resid 636 and name HB2 )) ASSI { 607} (( segid "RN14" and resid 631 and name HB2 )) (( segid "RN14" and resid 636 and name HG )) 4.400 2.400 1.600 peak 607 spectrum 1 weight 0.10000E+01 volume 0.56506E-03 ppm1 0.941 ppm2 1.491 CV 1 OR { 607} (( segid "RN14" and resid 631 and name HB2 )) (( segid "RN14" and resid 636 and name HB2 )) ASSI { 617} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 144 and name HG1 )) 4.100 2.100 1.900 peak 617 spectrum 1 weight 0.10000E+01 volume 0.73741E-03 ppm1 4.148 ppm2 1.080 CV 1 ASSI { 622} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 140 and name HB2 )) 4.800 2.900 1.200 peak 622 spectrum 1 weight 0.10000E+01 volume 0.48741E-03 ppm1 4.152 ppm2 3.182 CV 1 OR { 622} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 140 and name HB1 )) ASSI { 623} (( segid "RN15" and resid 141 and name HA )) ( segid "RN15" and resid 140 and name HD% ) 3.600 1.600 1.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.17859E-02 ppm1 4.158 ppm2 7.249 CV 1 ASSI { 624} (( segid "RN15" and resid 141 and name HA )) ( segid "RN15" and resid 140 and name HE% ) 5.300 3.500 0.700 peak 624 spectrum 1 weight 0.10000E+01 volume 0.25535E-03 ppm1 4.160 ppm2 7.368 CV 1 ASSI { 625} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 141 and name HB1 )) 2.400 0.700 0.700 peak 625 spectrum 1 weight 0.10000E+01 volume 0.37799E-02 ppm1 4.154 ppm2 1.815 CV 1 ASSI { 626} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 141 and name HB2 )) 2.700 0.900 0.900 peak 626 spectrum 1 weight 0.10000E+01 volume 0.43676E-02 ppm1 4.155 ppm2 1.622 CV 1 ASSI { 627} (( segid "RN15" and resid 141 and name HA )) ( segid "RN15" and resid 141 and name HD2%) 2.000 0.500 0.500 peak 627 spectrum 1 weight 0.10000E+01 volume 0.96822E-02 ppm1 4.156 ppm2 0.963 CV 1 OR { 627} (( segid "RN15" and resid 141 and name HA )) ( segid "RN15" and resid 141 and name HD1%) ASSI { 628} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 144 and name HB2 )) 4.000 2.000 2.000 peak 628 spectrum 1 weight 0.10000E+01 volume 0.83645E-03 ppm1 4.149 ppm2 1.242 CV 1 ASSI { 630} ( segid "RN15" and resid 141 and name HD1%) ( segid "RN15" and resid 140 and name HE% ) 3.500 1.500 1.500 peak 630 spectrum 1 weight 0.10000E+01 volume 0.12287E-02 ppm1 0.985 ppm2 7.364 CV 1 ASSI { 632} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 141 and name HG )) 1.900 0.500 0.500 peak 632 spectrum 1 weight 0.10000E+01 volume 0.12921E-01 ppm1 0.989 ppm2 1.705 CV 1 ASSI { 633} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 145 and name HB1 )) 4.600 2.600 1.400 peak 633 spectrum 1 weight 0.10000E+01 volume 0.16584E-02 ppm1 0.974 ppm2 3.004 CV 1 ASSI { 635} ( segid "RN15" and resid 141 and name HD1%) ( segid "RN15" and resid 198 and name HD1%) 3.100 1.200 1.200 peak 635 spectrum 1 weight 0.10000E+01 volume 0.24872E-02 ppm1 0.976 ppm2 0.252 CV 1 ASSI { 636} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 202 and name HB2 )) 3.500 1.600 1.600 peak 636 spectrum 1 weight 0.10000E+01 volume 0.19924E-02 ppm1 0.986 ppm2 2.447 CV 1 ASSI { 637} ( segid "RN15" and resid 141 and name HD2%) ( segid "RN15" and resid 140 and name HD% ) 3.100 1.200 1.200 peak 637 spectrum 1 weight 0.10000E+01 volume 0.49729E-02 ppm1 0.965 ppm2 7.256 CV 1 ASSI { 638} ( segid "RN15" and resid 141 and name HD2%) ( segid "RN15" and resid 140 and name HE% ) 2.700 0.900 0.900 peak 638 spectrum 1 weight 0.10000E+01 volume 0.20365E-02 ppm1 0.963 ppm2 7.370 CV 1 ASSI { 639} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 141 and name HG )) 1.900 0.500 0.500 peak 639 spectrum 1 weight 0.10000E+01 volume 0.10608E-01 ppm1 0.961 ppm2 1.707 CV 1 ASSI { 641} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 201 and name HB2 )) 4.000 2.000 2.000 peak 641 spectrum 1 weight 0.10000E+01 volume 0.30248E-02 ppm1 0.967 ppm2 1.869 CV 1 ASSI { 642} (( segid "RN15" and resid 141 and name HG )) (( segid "RN15" and resid 140 and name HB2 )) 4.400 2.400 1.600 peak 642 spectrum 1 weight 0.10000E+01 volume 0.68686E-03 ppm1 1.708 ppm2 3.182 CV 1 OR { 642} (( segid "RN15" and resid 141 and name HG )) (( segid "RN15" and resid 140 and name HB1 )) ASSI { 643} (( segid "RN15" and resid 141 and name HG )) ( segid "RN15" and resid 140 and name HD% ) 2.600 0.900 0.900 peak 643 spectrum 1 weight 0.10000E+01 volume 0.17262E-02 ppm1 1.711 ppm2 7.257 CV 1 ASSI { 644} (( segid "RN15" and resid 141 and name HG )) ( segid "RN15" and resid 140 and name HE% ) 3.500 1.600 1.600 peak 644 spectrum 1 weight 0.10000E+01 volume 0.34936E-03 ppm1 1.709 ppm2 7.370 CV 1 ASSI { 645} (( segid "RN15" and resid 141 and name HG )) ( segid "RN15" and resid 141 and name HD1%) 2.000 0.500 0.500 peak 645 spectrum 1 weight 0.10000E+01 volume 0.99181E-02 ppm1 1.706 ppm2 0.986 CV 1 OR { 645} (( segid "RN15" and resid 141 and name HG )) ( segid "RN15" and resid 141 and name HD2%) ASSI { 646} (( segid "RN15" and resid 148 and name HA )) ( segid "RN14" and resid 639 and name HD1%) 4.000 2.000 2.000 peak 646 spectrum 1 weight 0.10000E+01 volume 0.61991E-03 ppm1 4.267 ppm2 0.810 CV 1 ASSI { 647} (( segid "RN15" and resid 148 and name HB1 )) (( segid "RN15" and resid 145 and name HB1 )) 5.500 3.800 0.500 peak 647 spectrum 1 weight 0.10000E+01 volume 0.47109E-03 ppm1 1.696 ppm2 3.000 CV 1 ASSI { 648} (( segid "RN15" and resid 148 and name HB1 )) (( segid "RN15" and resid 145 and name HB2 )) 6.000 4.600 0.000 peak 648 spectrum 1 weight 0.10000E+01 volume 0.46283E-03 ppm1 1.698 ppm2 2.853 CV 1 ASSI { 650} (( segid "RN15" and resid 148 and name HB1 )) ( segid "RN15" and resid 148 and name HD1%) 2.500 0.800 0.800 peak 650 spectrum 1 weight 0.10000E+01 volume 0.48453E-02 ppm1 1.697 ppm2 0.738 CV 1 ASSI { 651} (( segid "RN15" and resid 148 and name HB1 )) (( segid "RN15" and resid 148 and name HG )) 3.100 1.200 1.200 peak 651 spectrum 1 weight 0.10000E+01 volume 0.30765E-02 ppm1 1.700 ppm2 1.845 CV 1 ASSI { 652} (( segid "RN15" and resid 148 and name HB1 )) (( segid "RN15" and resid 149 and name HD1 )) 4.400 2.400 1.600 peak 652 spectrum 1 weight 0.10000E+01 volume 0.61797E-03 ppm1 1.703 ppm2 3.920 CV 1 ASSI { 653} (( segid "RN15" and resid 148 and name HB1 )) (( segid "RN15" and resid 149 and name HD2 )) 3.400 1.400 1.400 peak 653 spectrum 1 weight 0.10000E+01 volume 0.76048E-03 ppm1 1.697 ppm2 3.383 CV 1 ASSI { 655} (( segid "RN15" and resid 148 and name HB2 )) ( segid "RN15" and resid 148 and name HD2%) 3.600 1.600 1.600 peak 655 spectrum 1 weight 0.10000E+01 volume 0.28785E-02 ppm1 1.402 ppm2 0.618 CV 1 ASSI { 657} ( segid "RN15" and resid 148 and name HD1%) ( segid "RN15" and resid 141 and name HD1%) 2.200 0.600 0.600 peak 657 spectrum 1 weight 0.10000E+01 volume 0.71798E-02 ppm1 0.736 ppm2 0.971 CV 1 OR { 657} ( segid "RN15" and resid 148 and name HD1%) ( segid "RN15" and resid 141 and name HD2%) ASSI { 658} ( segid "RN15" and resid 148 and name HD1%) (( segid "RN15" and resid 145 and name HB1 )) 3.400 1.400 1.400 peak 658 spectrum 1 weight 0.10000E+01 volume 0.22225E-02 ppm1 0.740 ppm2 3.005 CV 1 ASSI { 659} ( segid "RN15" and resid 148 and name HD1%) (( segid "RN15" and resid 145 and name HB2 )) 3.300 1.400 1.400 peak 659 spectrum 1 weight 0.10000E+01 volume 0.26216E-02 ppm1 0.743 ppm2 2.852 CV 1 ASSI { 661} ( segid "RN15" and resid 148 and name HD1%) ( segid "RN15" and resid 145 and name HE% ) 4.800 2.900 1.200 peak 661 spectrum 1 weight 0.10000E+01 volume 0.92430E-03 ppm1 0.740 ppm2 7.280 CV 1 ASSI { 663} ( segid "RN15" and resid 148 and name HD1%) (( segid "RN15" and resid 148 and name HA )) 4.000 2.000 2.000 peak 663 spectrum 1 weight 0.10000E+01 volume 0.22063E-02 ppm1 0.740 ppm2 4.268 CV 1 ASSI { 664} ( segid "RN15" and resid 148 and name HD1%) (( segid "RN15" and resid 149 and name HD1 )) 5.300 3.500 0.700 peak 664 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 0.756 ppm2 3.918 CV 1 ASSI { 666} ( segid "RN15" and resid 148 and name HD1%) ( segid "RN14" and resid 631 and name HD1%) 4.100 2.100 1.900 peak 666 spectrum 1 weight 0.10000E+01 volume 0.16694E-02 ppm1 0.742 ppm2 0.188 CV 1 ASSI { 667} ( segid "RN15" and resid 148 and name HD1%) ( segid "RN14" and resid 631 and name HD2%) 5.200 3.400 0.800 peak 667 spectrum 1 weight 0.10000E+01 volume 0.79807E-03 ppm1 0.754 ppm2 -0.071 CV 1 ASSI { 668} ( segid "RN15" and resid 148 and name HD2%) ( segid "RN15" and resid 145 and name HD% ) 2.700 0.900 0.900 peak 668 spectrum 1 weight 0.10000E+01 volume 0.25993E-02 ppm1 0.618 ppm2 7.234 CV 1 ASSI { 669} ( segid "RN15" and resid 148 and name HD2%) (( segid "RN15" and resid 145 and name HB1 )) 3.100 1.200 1.200 peak 669 spectrum 1 weight 0.10000E+01 volume 0.20547E-02 ppm1 0.606 ppm2 3.000 CV 1 ASSI { 670} ( segid "RN15" and resid 148 and name HD2%) (( segid "RN15" and resid 148 and name HA )) 2.100 0.600 0.600 peak 670 spectrum 1 weight 0.10000E+01 volume 0.55027E-02 ppm1 0.616 ppm2 4.269 CV 1 ASSI { 671} ( segid "RN15" and resid 148 and name HD2%) (( segid "RN15" and resid 149 and name HD1 )) 3.400 1.400 1.400 peak 671 spectrum 1 weight 0.10000E+01 volume 0.27864E-02 ppm1 0.617 ppm2 3.920 CV 1 ASSI { 672} ( segid "RN15" and resid 148 and name HD2%) ( segid "RN15" and resid 198 and name HD1%) 2.400 0.700 0.700 peak 672 spectrum 1 weight 0.10000E+01 volume 0.40868E-02 ppm1 0.614 ppm2 0.254 CV 1 ASSI { 673} ( segid "RN15" and resid 148 and name HD2%) ( segid "RN14" and resid 631 and name HD2%) 4.000 2.000 2.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.22274E-02 ppm1 0.612 ppm2 -0.071 CV 1 ASSI { 674} (( segid "RN15" and resid 148 and name HG )) (( segid "RN15" and resid 145 and name HA )) 4.600 2.700 1.400 peak 674 spectrum 1 weight 0.10000E+01 volume 0.51390E-03 ppm1 1.848 ppm2 5.026 CV 1 ASSI { 675} (( segid "RN15" and resid 148 and name HG )) (( segid "RN15" and resid 145 and name HB1 )) 2.800 1.000 1.000 peak 675 spectrum 1 weight 0.10000E+01 volume 0.10737E-02 ppm1 1.845 ppm2 3.006 CV 1 ASSI { 676} (( segid "RN15" and resid 148 and name HG )) (( segid "RN15" and resid 145 and name HB2 )) 3.700 1.700 1.700 peak 676 spectrum 1 weight 0.10000E+01 volume 0.85838E-03 ppm1 1.847 ppm2 2.849 CV 1 ASSI { 677} (( segid "RN15" and resid 148 and name HG )) ( segid "RN15" and resid 148 and name HD2%) 2.400 0.700 0.700 peak 677 spectrum 1 weight 0.10000E+01 volume 0.33742E-02 ppm1 1.851 ppm2 0.618 CV 1 ASSI { 678} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 208 and name HA )) 1.800 0.400 0.400 peak 678 spectrum 1 weight 0.10000E+01 volume 0.41747E-02 ppm1 0.798 ppm2 3.501 CV 1 ASSI { 679} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 169 and name HA )) 2.000 0.500 0.500 peak 679 spectrum 1 weight 0.10000E+01 volume 0.80481E-02 ppm1 0.622 ppm2 3.871 CV 1 ASSI { 680} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 172 and name HE2 )) 3.900 1.900 1.900 peak 680 spectrum 1 weight 0.10000E+01 volume 0.10927E-02 ppm1 0.620 ppm2 2.786 CV 1 OR { 680} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 172 and name HE1 )) ASSI { 682} ( segid "RN15" and resid 169 and name HD2%) ( segid "RN15" and resid 180 and name HD% ) 5.500 3.800 0.500 peak 682 spectrum 1 weight 0.10000E+01 volume 0.47033E-03 ppm1 0.616 ppm2 6.986 CV 1 ASSI { 683} ( segid "RN15" and resid 169 and name HD2%) ( segid "RN15" and resid 180 and name HE% ) 5.600 3.900 0.400 peak 683 spectrum 1 weight 0.10000E+01 volume 0.35054E-03 ppm1 0.612 ppm2 6.863 CV 1 ASSI { 684} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 208 and name HA )) 3.200 1.200 1.200 peak 684 spectrum 1 weight 0.10000E+01 volume 0.14716E-02 ppm1 0.621 ppm2 3.501 CV 1 ASSI { 685} ( segid "RN15" and resid 169 and name HD2%) ( segid "RN15" and resid 208 and name HG2%) 2.000 0.500 0.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.50064E-02 ppm1 0.621 ppm2 1.036 CV 1 ASSI { 686} ( segid "RN15" and resid 169 and name HD2%) ( segid "RN14" and resid 638 and name HD1%) 2.200 0.600 0.600 peak 686 spectrum 1 weight 0.10000E+01 volume 0.54168E-02 ppm1 0.605 ppm2 0.446 CV 1 ASSI { 687} ( segid "RN15" and resid 169 and name HD2%) ( segid "RN14" and resid 638 and name HD2%) 2.700 0.900 0.900 peak 687 spectrum 1 weight 0.10000E+01 volume 0.43497E-02 ppm1 0.621 ppm2 0.293 CV 1 ASSI { 688} (( segid "RN15" and resid 169 and name HG )) (( segid "RN15" and resid 169 and name HA )) 3.600 1.600 1.600 peak 688 spectrum 1 weight 0.10000E+01 volume 0.79618E-03 ppm1 1.960 ppm2 3.871 CV 1 ASSI { 690} ( segid "RN15" and resid 178 and name HD1%) (( segid "RN15" and resid 174 and name HE2 )) 2.800 1.000 1.000 peak 690 spectrum 1 weight 0.10000E+01 volume 0.41260E-02 ppm1 0.871 ppm2 3.058 CV 1 OR { 690} ( segid "RN15" and resid 178 and name HD1%) (( segid "RN15" and resid 174 and name HE1 )) ASSI { 691} ( segid "RN15" and resid 178 and name HD1%) (( segid "RN15" and resid 175 and name HA )) 2.400 0.700 0.700 peak 691 spectrum 1 weight 0.10000E+01 volume 0.72889E-02 ppm1 0.870 ppm2 4.008 CV 1 ASSI { 692} ( segid "RN15" and resid 178 and name HD1%) (( segid "RN14" and resid 670 and name HA )) 3.300 1.300 1.300 peak 692 spectrum 1 weight 0.10000E+01 volume 0.26334E-02 ppm1 0.874 ppm2 4.365 CV 1 ASSI { 693} ( segid "RN15" and resid 178 and name HD1%) (( segid "RN14" and resid 671 and name HA )) 3.400 1.400 1.400 peak 693 spectrum 1 weight 0.10000E+01 volume 0.21284E-02 ppm1 0.876 ppm2 4.130 CV 1 ASSI { 694} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN15" and resid 174 and name HE2 )) 3.600 1.600 1.600 peak 694 spectrum 1 weight 0.10000E+01 volume 0.13891E-02 ppm1 0.840 ppm2 3.058 CV 1 OR { 694} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN15" and resid 174 and name HE1 )) ASSI { 695} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN15" and resid 177 and name HG1 )) 3.600 1.600 1.600 peak 695 spectrum 1 weight 0.10000E+01 volume 0.61329E-03 ppm1 0.851 ppm2 2.532 CV 1 ASSI { 696} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN15" and resid 178 and name HB2 )) 3.300 1.400 1.400 peak 696 spectrum 1 weight 0.10000E+01 volume 0.50387E-02 ppm1 0.852 ppm2 1.468 CV 1 ASSI { 697} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN15" and resid 178 and name HG )) 2.000 0.500 0.500 peak 697 spectrum 1 weight 0.10000E+01 volume 0.11948E-01 ppm1 0.841 ppm2 1.857 CV 1 ASSI { 698} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN15" and resid 182 and name HG1 )) 4.700 2.800 1.300 peak 698 spectrum 1 weight 0.10000E+01 volume 0.50173E-03 ppm1 0.847 ppm2 2.592 CV 1 ASSI { 699} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN15" and resid 216 and name HA )) 3.400 1.500 1.500 peak 699 spectrum 1 weight 0.10000E+01 volume 0.26445E-02 ppm1 0.841 ppm2 4.911 CV 1 ASSI { 700} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN15" and resid 216 and name HB2 )) 3.400 1.500 1.500 peak 700 spectrum 1 weight 0.10000E+01 volume 0.34392E-02 ppm1 0.847 ppm2 2.850 CV 1 ASSI { 701} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN14" and resid 669 and name HD1 )) 3.700 1.700 1.700 peak 701 spectrum 1 weight 0.10000E+01 volume 0.28712E-02 ppm1 0.841 ppm2 3.546 CV 1 ASSI { 702} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN14" and resid 669 and name HG2 )) 2.400 0.700 0.700 peak 702 spectrum 1 weight 0.10000E+01 volume 0.58964E-02 ppm1 0.840 ppm2 2.063 CV 1 OR { 702} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN14" and resid 669 and name HG1 )) ASSI { 703} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN14" and resid 671 and name HA )) 4.300 2.300 1.700 peak 703 spectrum 1 weight 0.10000E+01 volume 0.94937E-03 ppm1 0.842 ppm2 4.124 CV 1 ASSI { 704} (( segid "RN15" and resid 178 and name HG )) (( segid "RN15" and resid 175 and name HA )) 3.200 1.300 1.300 peak 704 spectrum 1 weight 0.10000E+01 volume 0.15458E-02 ppm1 1.856 ppm2 4.008 CV 1 ASSI { 705} (( segid "RN15" and resid 178 and name HG )) (( segid "RN15" and resid 178 and name HB2 )) 2.600 0.800 0.800 peak 705 spectrum 1 weight 0.10000E+01 volume 0.20647E-02 ppm1 1.856 ppm2 1.466 CV 1 ASSI { 707} (( segid "RN15" and resid 181 and name HA )) ( segid "RN15" and resid 180 and name HD% ) 3.000 1.100 1.100 peak 707 spectrum 1 weight 0.10000E+01 volume 0.17583E-02 ppm1 3.854 ppm2 6.985 CV 1 ASSI { 708} (( segid "RN15" and resid 181 and name HA )) ( segid "RN15" and resid 180 and name HE% ) 3.900 1.900 1.900 peak 708 spectrum 1 weight 0.10000E+01 volume 0.73963E-03 ppm1 3.855 ppm2 6.862 CV 1 ASSI { 709} (( segid "RN15" and resid 181 and name HA )) ( segid "RN15" and resid 181 and name HD2%) 2.100 0.600 0.600 peak 709 spectrum 1 weight 0.10000E+01 volume 0.41964E-02 ppm1 3.857 ppm2 1.112 CV 1 ASSI { 710} (( segid "RN15" and resid 181 and name HA )) (( segid "RN15" and resid 184 and name HB2 )) 3.900 1.900 1.900 peak 710 spectrum 1 weight 0.10000E+01 volume 0.11266E-02 ppm1 3.862 ppm2 2.700 CV 1 ASSI { 711} (( segid "RN15" and resid 181 and name HA )) ( segid "RN15" and resid 184 and name HD% ) 3.400 1.500 1.500 peak 711 spectrum 1 weight 0.10000E+01 volume 0.97622E-03 ppm1 3.853 ppm2 7.033 CV 1 ASSI { 712} (( segid "RN15" and resid 181 and name HB2 )) ( segid "RN15" and resid 180 and name HD% ) 5.100 3.200 0.900 peak 712 spectrum 1 weight 0.10000E+01 volume 0.29308E-03 ppm1 1.396 ppm2 6.986 CV 1 ASSI { 713} (( segid "RN15" and resid 181 and name HB2 )) ( segid "RN15" and resid 181 and name HD2%) 3.500 1.500 1.500 peak 713 spectrum 1 weight 0.10000E+01 volume 0.16928E-02 ppm1 1.395 ppm2 1.111 CV 1 ASSI { 721} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN15" and resid 180 and name HD% ) 2.400 0.700 0.700 peak 721 spectrum 1 weight 0.10000E+01 volume 0.53369E-02 ppm1 1.112 ppm2 6.985 CV 1 ASSI { 722} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN15" and resid 180 and name HE% ) 2.200 0.600 0.600 peak 722 spectrum 1 weight 0.10000E+01 volume 0.36835E-02 ppm1 1.112 ppm2 6.862 CV 1 ASSI { 723} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN15" and resid 180 and name HZ )) 4.500 2.600 1.500 peak 723 spectrum 1 weight 0.10000E+01 volume 0.61180E-03 ppm1 1.114 ppm2 6.499 CV 1 ASSI { 724} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN15" and resid 181 and name HG )) 2.000 0.500 0.500 peak 724 spectrum 1 weight 0.10000E+01 volume 0.54020E-02 ppm1 1.114 ppm2 2.108 CV 1 ASSI { 725} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN15" and resid 184 and name HD% ) 3.200 1.300 1.300 peak 725 spectrum 1 weight 0.10000E+01 volume 0.18291E-02 ppm1 1.110 ppm2 7.030 CV 1 ASSI { 726} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN15" and resid 184 and name HE% ) 4.600 2.600 1.400 peak 726 spectrum 1 weight 0.10000E+01 volume 0.57981E-03 ppm1 1.114 ppm2 7.195 CV 1 ASSI { 728} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN15" and resid 212 and name HD2%) 4.400 2.400 1.600 peak 728 spectrum 1 weight 0.10000E+01 volume 0.17651E-02 ppm1 1.114 ppm2 0.735 CV 1 ASSI { 729} (( segid "RN15" and resid 181 and name HG )) ( segid "RN15" and resid 180 and name HD% ) 2.300 0.600 0.600 peak 729 spectrum 1 weight 0.10000E+01 volume 0.20897E-02 ppm1 2.104 ppm2 6.985 CV 1 ASSI { 730} (( segid "RN15" and resid 181 and name HG )) ( segid "RN15" and resid 180 and name HE% ) 4.300 2.300 1.700 peak 730 spectrum 1 weight 0.10000E+01 volume 0.55754E-03 ppm1 2.110 ppm2 6.861 CV 1 ASSI { 732} (( segid "RN15" and resid 198 and name HA )) ( segid "RN15" and resid 145 and name HD% ) 5.400 3.700 0.600 peak 732 spectrum 1 weight 0.10000E+01 volume 0.62248E-03 ppm1 3.806 ppm2 7.233 CV 1 ASSI { 733} (( segid "RN15" and resid 198 and name HA )) ( segid "RN15" and resid 145 and name HE% ) 5.000 3.100 1.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.14942E-02 ppm1 3.805 ppm2 7.282 CV 1 ASSI { 734} (( segid "RN15" and resid 198 and name HA )) (( segid "RN15" and resid 145 and name HZ )) 5.700 4.100 0.300 peak 734 spectrum 1 weight 0.10000E+01 volume 0.76305E-03 ppm1 3.806 ppm2 7.560 CV 1 ASSI { 735} (( segid "RN15" and resid 198 and name HA )) (( segid "RN15" and resid 187 and name HH2 )) 5.600 4.000 0.400 peak 735 spectrum 1 weight 0.10000E+01 volume 0.33297E-03 ppm1 3.802 ppm2 6.935 CV 1 ASSI { 736} (( segid "RN15" and resid 198 and name HB1 )) ( segid "RN15" and resid 145 and name HE% ) 5.100 3.300 0.900 peak 736 spectrum 1 weight 0.10000E+01 volume 0.41909E-03 ppm1 2.239 ppm2 7.282 CV 1 ASSI { 737} (( segid "RN15" and resid 198 and name HB1 )) (( segid "RN15" and resid 145 and name HZ )) 5.200 3.400 0.800 peak 737 spectrum 1 weight 0.10000E+01 volume 0.39007E-03 ppm1 2.242 ppm2 7.557 CV 1 ASSI { 738} (( segid "RN15" and resid 198 and name HB1 )) (( segid "RN15" and resid 187 and name HH2 )) 3.100 1.200 1.200 peak 738 spectrum 1 weight 0.10000E+01 volume 0.51714E-03 ppm1 2.242 ppm2 6.937 CV 1 ASSI { 739} (( segid "RN15" and resid 198 and name HB1 )) (( segid "RN15" and resid 187 and name HZ3 )) 4.700 2.800 1.300 peak 739 spectrum 1 weight 0.10000E+01 volume 0.39814E-03 ppm1 2.241 ppm2 6.807 CV 1 ASSI { 740} (( segid "RN15" and resid 198 and name HB1 )) ( segid "RN15" and resid 195 and name HB% ) 4.700 2.800 1.300 peak 740 spectrum 1 weight 0.10000E+01 volume 0.43118E-03 ppm1 2.248 ppm2 1.398 CV 1 ASSI { 741} (( segid "RN15" and resid 198 and name HB1 )) (( segid "RN15" and resid 198 and name HG )) 3.100 1.200 1.200 peak 741 spectrum 1 weight 0.10000E+01 volume 0.49734E-03 ppm1 2.249 ppm2 1.308 CV 1 ASSI { 742} (( segid "RN15" and resid 198 and name HB2 )) ( segid "RN15" and resid 145 and name HE% ) 3.800 1.800 1.800 peak 742 spectrum 1 weight 0.10000E+01 volume 0.50471E-03 ppm1 1.503 ppm2 7.282 CV 1 ASSI { 743} (( segid "RN15" and resid 198 and name HB2 )) (( segid "RN15" and resid 145 and name HZ )) 3.900 1.900 1.900 peak 743 spectrum 1 weight 0.10000E+01 volume 0.52933E-03 ppm1 1.502 ppm2 7.556 CV 1 ASSI { 744} (( segid "RN15" and resid 198 and name HB2 )) (( segid "RN15" and resid 187 and name HH2 )) 3.800 1.800 1.800 peak 744 spectrum 1 weight 0.10000E+01 volume 0.41930E-03 ppm1 1.499 ppm2 6.934 CV 1 ASSI { 755} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 145 and name HB1 )) 4.600 2.700 1.400 peak 755 spectrum 1 weight 0.10000E+01 volume 0.51742E-03 ppm1 0.255 ppm2 3.006 CV 1 ASSI { 756} ( segid "RN15" and resid 198 and name HD1%) ( segid "RN15" and resid 145 and name HE% ) 2.900 1.100 1.100 peak 756 spectrum 1 weight 0.10000E+01 volume 0.26115E-02 ppm1 0.253 ppm2 7.283 CV 1 ASSI { 757} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 145 and name HZ )) 4.300 2.300 1.700 peak 757 spectrum 1 weight 0.10000E+01 volume 0.12739E-02 ppm1 0.252 ppm2 7.556 CV 1 ASSI { 758} ( segid "RN15" and resid 198 and name HD1%) ( segid "RN15" and resid 148 and name HD1%) 2.500 0.800 0.800 peak 758 spectrum 1 weight 0.10000E+01 volume 0.66823E-02 ppm1 0.253 ppm2 0.736 CV 1 ASSI { 759} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 184 and name HZ )) 6.000 4.600 0.000 peak 759 spectrum 1 weight 0.10000E+01 volume 0.36350E-03 ppm1 0.256 ppm2 7.003 CV 1 ASSI { 760} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 187 and name HH2 )) 4.700 2.800 1.300 peak 760 spectrum 1 weight 0.10000E+01 volume 0.92316E-03 ppm1 0.253 ppm2 6.935 CV 1 ASSI { 762} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 195 and name HA )) 5.300 3.500 0.700 peak 762 spectrum 1 weight 0.10000E+01 volume 0.84519E-03 ppm1 0.254 ppm2 4.401 CV 1 ASSI { 764} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 198 and name HB2 )) 2.500 0.800 0.800 peak 764 spectrum 1 weight 0.10000E+01 volume 0.25405E-02 ppm1 0.255 ppm2 1.501 CV 1 ASSI { 768} ( segid "RN15" and resid 198 and name HD1%) ( segid "RN15" and resid 201 and name HD2%) 4.200 2.200 1.800 peak 768 spectrum 1 weight 0.10000E+01 volume 0.23181E-02 ppm1 0.251 ppm2 0.975 CV 1 ASSI { 769} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 202 and name HA )) 4.800 2.900 1.200 peak 769 spectrum 1 weight 0.10000E+01 volume 0.51465E-03 ppm1 0.254 ppm2 5.012 CV 1 ASSI { 770} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 202 and name HB1 )) 4.000 2.000 2.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.14450E-02 ppm1 0.253 ppm2 2.863 CV 1 ASSI { 771} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 202 and name HB2 )) 3.400 1.500 1.500 peak 771 spectrum 1 weight 0.10000E+01 volume 0.75288E-03 ppm1 0.249 ppm2 2.461 CV 1 ASSI { 773} ( segid "RN15" and resid 198 and name HD1%) ( segid "RN14" and resid 639 and name HD1%) 3.500 1.500 1.500 peak 773 spectrum 1 weight 0.10000E+01 volume 0.16795E-02 ppm1 0.251 ppm2 0.809 CV 1 ASSI { 775} ( segid "RN15" and resid 198 and name HD2%) ( segid "RN15" and resid 145 and name HE% ) 2.600 0.900 0.900 peak 775 spectrum 1 weight 0.10000E+01 volume 0.14660E-02 ppm1 0.689 ppm2 7.283 CV 1 ASSI { 776} ( segid "RN15" and resid 198 and name HD2%) (( segid "RN15" and resid 145 and name HZ )) 3.900 1.900 1.900 peak 776 spectrum 1 weight 0.10000E+01 volume 0.14184E-02 ppm1 0.687 ppm2 7.544 CV 1 ASSI { 777} ( segid "RN15" and resid 198 and name HD2%) ( segid "RN15" and resid 184 and name HD% ) 4.200 2.200 1.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.16211E-02 ppm1 0.692 ppm2 7.027 CV 1 ASSI { 778} ( segid "RN15" and resid 198 and name HD2%) ( segid "RN15" and resid 184 and name HE% ) 2.800 1.000 1.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.38723E-02 ppm1 0.689 ppm2 7.196 CV 1 ASSI { 779} ( segid "RN15" and resid 198 and name HD2%) (( segid "RN15" and resid 184 and name HZ )) 3.000 1.100 1.100 peak 779 spectrum 1 weight 0.10000E+01 volume 0.30981E-02 ppm1 0.696 ppm2 7.004 CV 1 ASSI { 781} ( segid "RN15" and resid 198 and name HD2%) (( segid "RN15" and resid 187 and name HH2 )) 2.400 0.700 0.700 peak 781 spectrum 1 weight 0.10000E+01 volume 0.26363E-02 ppm1 0.688 ppm2 6.935 CV 1 ASSI { 782} ( segid "RN15" and resid 198 and name HD2%) (( segid "RN15" and resid 187 and name HZ3 )) 3.400 1.500 1.500 peak 782 spectrum 1 weight 0.10000E+01 volume 0.27969E-02 ppm1 0.688 ppm2 6.806 CV 1 ASSI { 783} ( segid "RN15" and resid 198 and name HD2%) (( segid "RN15" and resid 195 and name HA )) 3.800 1.800 1.800 peak 783 spectrum 1 weight 0.10000E+01 volume 0.21917E-02 ppm1 0.690 ppm2 4.404 CV 1 ASSI { 785} (( segid "RN15" and resid 198 and name HG )) ( segid "RN15" and resid 145 and name HE% ) 6.000 4.700 0.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.22831E-03 ppm1 1.299 ppm2 7.286 CV 1 ASSI { 786} (( segid "RN15" and resid 198 and name HG )) (( segid "RN15" and resid 145 and name HZ )) 6.000 5.500 0.000 peak 786 spectrum 1 weight 0.10000E+01 volume 0.25106E-03 ppm1 1.304 ppm2 7.554 CV 1 ASSI { 787} (( segid "RN15" and resid 198 and name HG )) (( segid "RN15" and resid 187 and name HH2 )) 5.100 3.300 0.900 peak 787 spectrum 1 weight 0.10000E+01 volume 0.28805E-03 ppm1 1.303 ppm2 6.938 CV 1 ASSI { 788} (( segid "RN15" and resid 199 and name HA )) (( segid "RN15" and resid 184 and name HZ )) 5.600 4.000 0.400 peak 788 spectrum 1 weight 0.10000E+01 volume 0.53849E-03 ppm1 3.990 ppm2 7.001 CV 1 ASSI { 789} (( segid "RN15" and resid 199 and name HA )) (( segid "RN15" and resid 199 and name HB2 )) 3.000 1.100 1.100 peak 789 spectrum 1 weight 0.10000E+01 volume 0.19443E-02 ppm1 3.990 ppm2 1.543 CV 1 ASSI { 790} (( segid "RN15" and resid 199 and name HB1 )) (( segid "RN15" and resid 196 and name HA )) 4.500 2.500 1.500 peak 790 spectrum 1 weight 0.10000E+01 volume 0.11147E-02 ppm1 1.892 ppm2 3.943 CV 1 ASSI { 791} (( segid "RN15" and resid 199 and name HB1 )) ( segid "RN15" and resid 199 and name HD2%) 2.800 1.000 1.000 peak 791 spectrum 1 weight 0.10000E+01 volume 0.15268E-02 ppm1 1.887 ppm2 0.920 CV 1 ASSI { 792} (( segid "RN15" and resid 199 and name HB2 )) (( segid "RN15" and resid 196 and name HA )) 3.000 1.100 1.100 peak 792 spectrum 1 weight 0.10000E+01 volume 0.94178E-03 ppm1 1.545 ppm2 3.949 CV 1 ASSI { 793} ( segid "RN15" and resid 199 and name HD1%) ( segid "RN15" and resid 184 and name HE% ) 3.000 1.100 1.100 peak 793 spectrum 1 weight 0.10000E+01 volume 0.25275E-02 ppm1 1.000 ppm2 7.194 CV 1 ASSI { 794} ( segid "RN15" and resid 199 and name HD1%) (( segid "RN15" and resid 184 and name HZ )) 2.700 0.900 0.900 peak 794 spectrum 1 weight 0.10000E+01 volume 0.47196E-02 ppm1 0.984 ppm2 7.006 CV 1 ASSI { 795} ( segid "RN15" and resid 199 and name HD1%) (( segid "RN15" and resid 187 and name HZ3 )) 4.500 2.500 1.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.43286E-03 ppm1 1.006 ppm2 6.807 CV 1 ASSI { 796} ( segid "RN15" and resid 199 and name HD1%) (( segid "RN15" and resid 206 and name HB1 )) 3.800 1.800 1.800 peak 796 spectrum 1 weight 0.10000E+01 volume 0.97034E-03 ppm1 1.000 ppm2 3.772 CV 1 ASSI { 797} ( segid "RN15" and resid 199 and name HD1%) (( segid "RN14" and resid 659 and name HA )) 3.700 1.700 1.700 peak 797 spectrum 1 weight 0.10000E+01 volume 0.17124E-02 ppm1 1.006 ppm2 3.305 CV 1 ASSI { 798} ( segid "RN15" and resid 199 and name HD2%) ( segid "RN15" and resid 184 and name HE% ) 3.300 1.300 1.300 peak 798 spectrum 1 weight 0.10000E+01 volume 0.42992E-02 ppm1 0.919 ppm2 7.199 CV 1 ASSI { 799} ( segid "RN15" and resid 199 and name HD2%) (( segid "RN15" and resid 184 and name HZ )) 2.400 0.700 0.700 peak 799 spectrum 1 weight 0.10000E+01 volume 0.94589E-02 ppm1 0.914 ppm2 7.003 CV 1 ASSI { 800} ( segid "RN15" and resid 199 and name HD2%) (( segid "RN15" and resid 206 and name HA )) 2.100 0.500 0.500 peak 800 spectrum 1 weight 0.10000E+01 volume 0.86901E-02 ppm1 0.920 ppm2 4.025 CV 1 ASSI { 801} ( segid "RN15" and resid 199 and name HD2%) (( segid "RN15" and resid 206 and name HB1 )) 3.300 1.400 1.400 peak 801 spectrum 1 weight 0.10000E+01 volume 0.20541E-02 ppm1 0.927 ppm2 3.761 CV 1 ASSI { 802} (( segid "RN15" and resid 199 and name HG )) ( segid "RN15" and resid 184 and name HE% ) 4.700 2.800 1.300 peak 802 spectrum 1 weight 0.10000E+01 volume 0.42839E-03 ppm1 2.008 ppm2 7.196 CV 1 ASSI { 803} (( segid "RN15" and resid 199 and name HG )) (( segid "RN15" and resid 184 and name HZ )) 3.200 1.300 1.300 peak 803 spectrum 1 weight 0.10000E+01 volume 0.12062E-02 ppm1 2.006 ppm2 7.003 CV 1 ASSI { 804} (( segid "RN15" and resid 199 and name HG )) ( segid "RN15" and resid 199 and name HD2%) 2.200 0.600 0.600 peak 804 spectrum 1 weight 0.10000E+01 volume 0.42875E-02 ppm1 2.006 ppm2 0.919 CV 1 ASSI { 808} ( segid "RN15" and resid 201 and name HD1%) ( segid "RN15" and resid 198 and name HD1%) 4.900 3.000 1.100 peak 808 spectrum 1 weight 0.10000E+01 volume 0.11959E-02 ppm1 1.029 ppm2 0.254 CV 1 ASSI { 809} ( segid "RN15" and resid 205 and name HD2%) ( segid "RN15" and resid 198 and name HD1%) 3.600 1.600 1.600 peak 809 spectrum 1 weight 0.10000E+01 volume 0.19084E-02 ppm1 0.622 ppm2 0.254 CV 1 ASSI { 810} (( segid "RN15" and resid 205 and name HB1 )) (( segid "RN15" and resid 202 and name HB2 )) 3.400 1.400 1.400 peak 810 spectrum 1 weight 0.10000E+01 volume 0.68680E-03 ppm1 1.513 ppm2 2.463 CV 1 ASSI { 811} (( segid "RN15" and resid 205 and name HB2 )) (( segid "RN15" and resid 184 and name HZ )) 5.600 4.000 0.400 peak 811 spectrum 1 weight 0.10000E+01 volume 0.43919E-03 ppm1 1.878 ppm2 7.002 CV 1 ASSI { 812} ( segid "RN15" and resid 205 and name HD1%) ( segid "RN15" and resid 180 and name HE% ) 2.700 0.900 0.900 peak 812 spectrum 1 weight 0.10000E+01 volume 0.30543E-02 ppm1 0.651 ppm2 6.862 CV 1 ASSI { 813} ( segid "RN15" and resid 205 and name HD1%) (( segid "RN15" and resid 180 and name HZ )) 1.800 0.400 0.400 peak 813 spectrum 1 weight 0.10000E+01 volume 0.58587E-02 ppm1 0.651 ppm2 6.498 CV 1 ASSI { 814} ( segid "RN15" and resid 205 and name HD1%) ( segid "RN15" and resid 184 and name HE% ) 3.400 1.500 1.500 peak 814 spectrum 1 weight 0.10000E+01 volume 0.18624E-02 ppm1 0.650 ppm2 7.196 CV 1 ASSI { 815} ( segid "RN15" and resid 205 and name HD1%) (( segid "RN15" and resid 184 and name HZ )) 3.300 1.400 1.400 peak 815 spectrum 1 weight 0.10000E+01 volume 0.20828E-02 ppm1 0.653 ppm2 7.005 CV 1 ASSI { 816} ( segid "RN15" and resid 205 and name HD1%) (( segid "RN15" and resid 205 and name HA )) 2.000 0.500 0.500 peak 816 spectrum 1 weight 0.10000E+01 volume 0.56025E-02 ppm1 0.655 ppm2 4.059 CV 1 ASSI { 818} ( segid "RN15" and resid 205 and name HD2%) (( segid "RN15" and resid 180 and name HZ )) 3.700 1.700 1.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.22916E-02 ppm1 0.625 ppm2 6.498 CV 1 ASSI { 819} ( segid "RN15" and resid 205 and name HD2%) ( segid "RN15" and resid 184 and name HD% ) 3.800 1.800 1.800 peak 819 spectrum 1 weight 0.10000E+01 volume 0.20927E-02 ppm1 0.625 ppm2 7.027 CV 1 ASSI { 820} ( segid "RN15" and resid 205 and name HD2%) ( segid "RN15" and resid 184 and name HE% ) 2.500 0.800 0.800 peak 820 spectrum 1 weight 0.10000E+01 volume 0.33190E-02 ppm1 0.626 ppm2 7.196 CV 1 ASSI { 821} ( segid "RN15" and resid 205 and name HD2%) (( segid "RN15" and resid 184 and name HZ )) 2.300 0.700 0.700 peak 821 spectrum 1 weight 0.10000E+01 volume 0.44038E-02 ppm1 0.623 ppm2 7.002 CV 1 ASSI { 822} ( segid "RN15" and resid 205 and name HD2%) (( segid "RN15" and resid 198 and name HG )) 2.700 0.900 0.900 peak 822 spectrum 1 weight 0.10000E+01 volume 0.19174E-02 ppm1 0.624 ppm2 1.298 CV 1 ASSI { 823} ( segid "RN15" and resid 205 and name HD2%) ( segid "RN15" and resid 199 and name HD2%) 2.200 0.600 0.600 peak 823 spectrum 1 weight 0.10000E+01 volume 0.58216E-02 ppm1 0.623 ppm2 0.918 CV 1 ASSI { 824} ( segid "RN15" and resid 205 and name HD2%) (( segid "RN15" and resid 202 and name HB1 )) 4.100 2.100 1.900 peak 824 spectrum 1 weight 0.10000E+01 volume 0.15087E-02 ppm1 0.623 ppm2 2.866 CV 1 ASSI { 825} ( segid "RN15" and resid 205 and name HD2%) (( segid "RN15" and resid 202 and name HB2 )) 3.600 1.600 1.600 peak 825 spectrum 1 weight 0.10000E+01 volume 0.12284E-02 ppm1 0.623 ppm2 2.463 CV 1 ASSI { 827} ( segid "RN15" and resid 205 and name HD2%) (( segid "RN15" and resid 205 and name HG )) 2.000 0.500 0.500 peak 827 spectrum 1 weight 0.10000E+01 volume 0.63111E-02 ppm1 0.626 ppm2 1.456 CV 1 ASSI { 828} ( segid "RN15" and resid 205 and name HD2%) (( segid "RN15" and resid 208 and name HB )) 5.100 3.200 0.900 peak 828 spectrum 1 weight 0.10000E+01 volume 0.13462E-02 ppm1 0.627 ppm2 2.103 CV 1 ASSI { 829} ( segid "RN15" and resid 205 and name HD2%) ( segid "RN14" and resid 631 and name HD2%) 3.900 1.900 1.900 peak 829 spectrum 1 weight 0.10000E+01 volume 0.75020E-03 ppm1 0.612 ppm2 -0.072 CV 1 ASSI { 830} ( segid "RN15" and resid 205 and name HD2%) ( segid "RN14" and resid 638 and name HD2%) 4.400 2.400 1.600 peak 830 spectrum 1 weight 0.10000E+01 volume 0.20495E-02 ppm1 0.613 ppm2 0.288 CV 1 ASSI { 831} ( segid "RN15" and resid 205 and name HD2%) ( segid "RN14" and resid 639 and name HD2%) 2.000 0.500 0.500 peak 831 spectrum 1 weight 0.10000E+01 volume 0.69902E-02 ppm1 0.631 ppm2 0.863 CV 1 ASSI { 832} ( segid "RN15" and resid 205 and name HD2%) ( segid "RN14" and resid 642 and name HD1%) 5.100 3.200 0.900 peak 832 spectrum 1 weight 0.10000E+01 volume 0.14392E-02 ppm1 0.632 ppm2 0.544 CV 1 ASSI { 833} (( segid "RN15" and resid 205 and name HG )) ( segid "RN15" and resid 184 and name HE% ) 3.900 1.900 1.900 peak 833 spectrum 1 weight 0.10000E+01 volume 0.73923E-03 ppm1 1.452 ppm2 7.194 CV 1 ASSI { 834} (( segid "RN15" and resid 205 and name HG )) (( segid "RN15" and resid 184 and name HZ )) 2.900 1.100 1.100 peak 834 spectrum 1 weight 0.10000E+01 volume 0.11798E-02 ppm1 1.454 ppm2 7.006 CV 1 ASSI { 835} (( segid "RN15" and resid 205 and name HG )) (( segid "RN15" and resid 202 and name HB2 )) 4.900 3.000 1.100 peak 835 spectrum 1 weight 0.10000E+01 volume 0.55448E-03 ppm1 1.452 ppm2 2.464 CV 1 ASSI { 836} (( segid "RN15" and resid 212 and name HB1 )) ( segid "RN15" and resid 180 and name HD% ) 4.700 2.800 1.300 peak 836 spectrum 1 weight 0.10000E+01 volume 0.54502E-03 ppm1 2.233 ppm2 6.985 CV 1 ASSI { 837} (( segid "RN15" and resid 212 and name HB1 )) ( segid "RN15" and resid 180 and name HE% ) 5.900 4.300 0.100 peak 837 spectrum 1 weight 0.10000E+01 volume 0.22758E-03 ppm1 2.228 ppm2 6.862 CV 1 ASSI { 838} (( segid "RN15" and resid 212 and name HB1 )) (( segid "RN15" and resid 209 and name HA )) 4.000 2.000 2.000 peak 838 spectrum 1 weight 0.10000E+01 volume 0.10843E-02 ppm1 2.263 ppm2 3.660 CV 1 ASSI { 839} (( segid "RN15" and resid 212 and name HB1 )) ( segid "RN15" and resid 209 and name HG2%) 5.200 3.400 0.800 peak 839 spectrum 1 weight 0.10000E+01 volume 0.62591E-03 ppm1 2.257 ppm2 1.279 CV 1 ASSI { 840} (( segid "RN15" and resid 212 and name HB1 )) ( segid "RN15" and resid 212 and name HD2%) 2.800 1.000 1.000 peak 840 spectrum 1 weight 0.10000E+01 volume 0.12741E-02 ppm1 2.261 ppm2 0.741 CV 1 ASSI { 841} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 177 and name HG1 )) 5.000 3.100 1.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.90648E-03 ppm1 0.684 ppm2 2.528 CV 1 ASSI { 842} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 180 and name HB1 )) 3.600 1.600 1.600 peak 842 spectrum 1 weight 0.10000E+01 volume 0.90459E-03 ppm1 0.687 ppm2 3.188 CV 1 ASSI { 843} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 180 and name HB2 )) 4.500 2.500 1.500 peak 843 spectrum 1 weight 0.10000E+01 volume 0.10816E-02 ppm1 0.691 ppm2 3.389 CV 1 ASSI { 844} ( segid "RN15" and resid 212 and name HD1%) ( segid "RN15" and resid 180 and name HD% ) 2.100 0.600 0.600 peak 844 spectrum 1 weight 0.10000E+01 volume 0.76414E-02 ppm1 0.688 ppm2 6.985 CV 1 ASSI { 845} ( segid "RN15" and resid 212 and name HD1%) ( segid "RN15" and resid 180 and name HE% ) 2.400 0.700 0.700 peak 845 spectrum 1 weight 0.10000E+01 volume 0.39418E-02 ppm1 0.688 ppm2 6.862 CV 1 ASSI { 846} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 180 and name HZ )) 4.300 2.300 1.700 peak 846 spectrum 1 weight 0.10000E+01 volume 0.85307E-03 ppm1 0.690 ppm2 6.499 CV 1 ASSI { 847} ( segid "RN15" and resid 212 and name HD1%) ( segid "RN15" and resid 181 and name HD2%) 2.500 0.800 0.800 peak 847 spectrum 1 weight 0.10000E+01 volume 0.38739E-02 ppm1 0.686 ppm2 1.112 CV 1 ASSI { 848} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 209 and name HA )) 2.300 0.700 0.700 peak 848 spectrum 1 weight 0.10000E+01 volume 0.40657E-02 ppm1 0.689 ppm2 3.662 CV 1 ASSI { 849} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 212 and name HB1 )) 2.400 0.700 0.700 peak 849 spectrum 1 weight 0.10000E+01 volume 0.33228E-02 ppm1 0.689 ppm2 2.258 CV 1 ASSI { 850} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 212 and name HB2 )) 2.400 0.700 0.700 peak 850 spectrum 1 weight 0.10000E+01 volume 0.28216E-02 ppm1 0.686 ppm2 1.212 CV 1 ASSI { 851} ( segid "RN15" and resid 212 and name HD1%) ( segid "RN14" and resid 638 and name HD2%) 2.500 0.800 0.800 peak 851 spectrum 1 weight 0.10000E+01 volume 0.22367E-02 ppm1 0.688 ppm2 0.288 CV 1 ASSI { 853} ( segid "RN15" and resid 212 and name HD2%) (( segid "RN15" and resid 177 and name HA )) 2.800 1.000 1.000 peak 853 spectrum 1 weight 0.10000E+01 volume 0.52384E-02 ppm1 0.744 ppm2 3.772 CV 1 ASSI { 854} ( segid "RN15" and resid 212 and name HD2%) (( segid "RN15" and resid 177 and name HG1 )) 4.100 2.100 1.900 peak 854 spectrum 1 weight 0.10000E+01 volume 0.28476E-02 ppm1 0.748 ppm2 2.532 CV 1 ASSI { 855} ( segid "RN15" and resid 212 and name HD2%) (( segid "RN15" and resid 177 and name HG2 )) 4.100 2.100 1.900 peak 855 spectrum 1 weight 0.10000E+01 volume 0.24350E-02 ppm1 0.745 ppm2 2.657 CV 1 ASSI { 856} ( segid "RN15" and resid 212 and name HD2%) ( segid "RN15" and resid 180 and name HD% ) 2.700 2.700 3.300 peak 856 spectrum 1 weight 0.10000E+01 volume 0.14965E-02 ppm1 0.745 ppm2 6.986 CV 1 ASSI { 857} (( segid "RN15" and resid 212 and name HG )) ( segid "RN15" and resid 212 and name HD2%) 2.100 0.600 0.600 peak 857 spectrum 1 weight 0.10000E+01 volume 0.47428E-02 ppm1 1.913 ppm2 0.740 CV 1 ASSI { 859} ( segid "RN15" and resid 213 and name HD1%) ( segid "RN14" and resid 666 and name HG2%) 2.700 0.900 0.900 peak 859 spectrum 1 weight 0.10000E+01 volume 0.39009E-02 ppm1 0.938 ppm2 0.482 CV 1 ASSI { 860} (( segid "RN15" and resid 213 and name HG )) ( segid "RN15" and resid 181 and name HD2%) 3.500 1.600 1.600 peak 860 spectrum 1 weight 0.10000E+01 volume 0.10401E-02 ppm1 2.208 ppm2 1.114 CV 1 ASSI { 861} (( segid "RN15" and resid 213 and name HG )) ( segid "RN15" and resid 209 and name HG2%) 2.900 1.000 1.000 peak 861 spectrum 1 weight 0.10000E+01 volume 0.12776E-02 ppm1 2.213 ppm2 1.281 CV 1 ASSI { 863} (( segid "RN15" and resid 214 and name HA )) ( segid "RN15" and resid 214 and name HD1%) 4.000 2.000 2.000 peak 863 spectrum 1 weight 0.10000E+01 volume 0.32378E-02 ppm1 4.332 ppm2 0.803 CV 1 ASSI { 864} (( segid "RN15" and resid 214 and name HA )) ( segid "RN15" and resid 214 and name HD2%) 2.200 0.600 0.600 peak 864 spectrum 1 weight 0.10000E+01 volume 0.80903E-02 ppm1 4.332 ppm2 0.707 CV 1 ASSI { 865} (( segid "RN15" and resid 214 and name HB2 )) (( segid "RN15" and resid 214 and name HA )) 2.800 1.000 1.000 peak 865 spectrum 1 weight 0.10000E+01 volume 0.51700E-02 ppm1 1.554 ppm2 4.336 CV 1 ASSI { 866} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 221 and name HA )) 2.000 0.500 0.500 peak 866 spectrum 1 weight 0.10000E+01 volume 0.14128E-01 ppm1 0.707 ppm2 3.642 CV 1 ASSI { 867} (( segid "RN15" and resid 214 and name HG )) ( segid "RN15" and resid 214 and name HD2%) 2.200 0.600 0.600 peak 867 spectrum 1 weight 0.10000E+01 volume 0.59958E-02 ppm1 1.757 ppm2 0.708 CV 1 ASSI { 869} (( segid "RN15" and resid 224 and name HA )) ( segid "RN15" and resid 224 and name HD1%) 4.100 2.100 1.900 peak 869 spectrum 1 weight 0.10000E+01 volume 0.17706E-02 ppm1 4.012 ppm2 0.795 CV 1 ASSI { 870} (( segid "RN15" and resid 224 and name HA )) (( segid "RN15" and resid 224 and name HG )) 3.200 1.300 1.300 peak 870 spectrum 1 weight 0.10000E+01 volume 0.12727E-02 ppm1 4.012 ppm2 1.584 CV 1 ASSI { 872} (( segid "RN15" and resid 224 and name HA )) ( segid "RN14" and resid 661 and name HD% ) 5.700 4.100 0.300 peak 872 spectrum 1 weight 0.10000E+01 volume 0.27165E-03 ppm1 4.016 ppm2 7.013 CV 1 ASSI { 873} (( segid "RN15" and resid 224 and name HA )) ( segid "RN14" and resid 661 and name HE% ) 4.500 2.500 1.500 peak 873 spectrum 1 weight 0.10000E+01 volume 0.35948E-03 ppm1 4.009 ppm2 7.158 CV 1 ASSI { 874} (( segid "RN15" and resid 224 and name HA )) (( segid "RN14" and resid 661 and name HZ )) 5.200 3.400 0.800 peak 874 spectrum 1 weight 0.10000E+01 volume 0.18876E-03 ppm1 4.013 ppm2 7.108 CV 1 ASSI { 875} (( segid "RN15" and resid 224 and name HB1 )) ( segid "RN15" and resid 224 and name HD2%) 2.900 1.000 1.000 peak 875 spectrum 1 weight 0.10000E+01 volume 0.15873E-02 ppm1 1.841 ppm2 0.448 CV 1 ASSI { 876} (( segid "RN15" and resid 224 and name HB2 )) ( segid "RN15" and resid 224 and name HD1%) 2.600 0.800 0.800 peak 876 spectrum 1 weight 0.10000E+01 volume 0.30168E-02 ppm1 1.362 ppm2 0.803 CV 1 ASSI { 877} (( segid "RN15" and resid 224 and name HB2 )) ( segid "RN15" and resid 224 and name HD2%) 3.700 1.700 1.700 peak 877 spectrum 1 weight 0.10000E+01 volume 0.17447E-02 ppm1 1.352 ppm2 0.448 CV 1 ASSI { 878} ( segid "RN15" and resid 224 and name HD1%) (( segid "RN15" and resid 210 and name HA )) 3.100 1.200 1.200 peak 878 spectrum 1 weight 0.10000E+01 volume 0.39978E-02 ppm1 0.798 ppm2 3.850 CV 1 ASSI { 879} ( segid "RN15" and resid 224 and name HD1%) (( segid "RN15" and resid 221 and name HA )) 2.100 0.600 0.600 peak 879 spectrum 1 weight 0.10000E+01 volume 0.45093E-02 ppm1 0.792 ppm2 3.642 CV 1 ASSI { 880} ( segid "RN15" and resid 224 and name HD1%) ( segid "RN15" and resid 227 and name HD1%) 4.100 2.200 1.900 peak 880 spectrum 1 weight 0.10000E+01 volume 0.16018E-02 ppm1 0.789 ppm2 0.379 CV 1 ASSI { 881} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN15" and resid 210 and name HA )) 2.500 0.800 0.800 peak 881 spectrum 1 weight 0.10000E+01 volume 0.22963E-02 ppm1 0.446 ppm2 3.853 CV 1 ASSI { 882} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN15" and resid 219 and name HB1 )) 3.700 1.700 1.700 peak 882 spectrum 1 weight 0.10000E+01 volume 0.63973E-03 ppm1 0.446 ppm2 3.457 CV 1 ASSI { 883} ( segid "RN15" and resid 224 and name HD2%) ( segid "RN15" and resid 224 and name HD1%) 2.000 0.500 0.500 peak 883 spectrum 1 weight 0.10000E+01 volume 0.17249E-01 ppm1 0.446 ppm2 0.794 CV 1 ASSI { 884} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN15" and resid 224 and name HG )) 2.100 0.500 0.500 peak 884 spectrum 1 weight 0.10000E+01 volume 0.80755E-02 ppm1 0.447 ppm2 1.583 CV 1 ASSI { 885} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN14" and resid 661 and name HB1 )) 5.700 4.100 0.300 peak 885 spectrum 1 weight 0.10000E+01 volume 0.54269E-03 ppm1 0.451 ppm2 3.233 CV 1 OR { 885} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN14" and resid 661 and name HB2 )) ASSI { 886} ( segid "RN15" and resid 224 and name HD2%) ( segid "RN14" and resid 661 and name HD% ) 3.600 1.600 1.600 peak 886 spectrum 1 weight 0.10000E+01 volume 0.26808E-02 ppm1 0.449 ppm2 7.014 CV 1 ASSI { 887} ( segid "RN15" and resid 224 and name HD2%) ( segid "RN14" and resid 661 and name HE% ) 2.700 0.900 0.900 peak 887 spectrum 1 weight 0.10000E+01 volume 0.49816E-02 ppm1 0.448 ppm2 7.158 CV 1 ASSI { 888} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN14" and resid 661 and name HZ )) 3.700 1.700 1.700 peak 888 spectrum 1 weight 0.10000E+01 volume 0.20781E-02 ppm1 0.447 ppm2 7.109 CV 1 ASSI { 889} (( segid "RN15" and resid 224 and name HG )) (( segid "RN15" and resid 221 and name HA )) 2.700 0.900 0.900 peak 889 spectrum 1 weight 0.10000E+01 volume 0.13923E-02 ppm1 1.565 ppm2 3.642 CV 1 ASSI { 890} (( segid "RN15" and resid 227 and name HA )) ( segid "RN15" and resid 224 and name HD2%) 5.900 4.400 0.100 peak 890 spectrum 1 weight 0.10000E+01 volume 0.57833E-03 ppm1 4.139 ppm2 0.449 CV 1 ASSI { 892} (( segid "RN15" and resid 227 and name HA )) ( segid "RN14" and resid 653 and name HD2%) 5.100 3.200 0.900 peak 892 spectrum 1 weight 0.10000E+01 volume 0.76699E-03 ppm1 4.138 ppm2 0.710 CV 1 ASSI { 893} (( segid "RN15" and resid 227 and name HA )) (( segid "RN14" and resid 657 and name HB2 )) 2.800 0.900 0.900 peak 893 spectrum 1 weight 0.10000E+01 volume 0.12444E-02 ppm1 4.142 ppm2 1.946 CV 1 ASSI { 894} (( segid "RN15" and resid 227 and name HA )) (( segid "RN14" and resid 657 and name HE1 )) 4.800 2.900 1.200 peak 894 spectrum 1 weight 0.10000E+01 volume 0.12688E-02 ppm1 4.144 ppm2 2.994 CV 1 OR { 894} (( segid "RN15" and resid 227 and name HA )) (( segid "RN14" and resid 657 and name HE2 )) ASSI { 895} (( segid "RN15" and resid 227 and name HA )) ( segid "RN14" and resid 661 and name HD% ) 6.000 5.600 0.000 peak 895 spectrum 1 weight 0.10000E+01 volume 0.22211E-03 ppm1 4.146 ppm2 7.013 CV 1 ASSI { 896} (( segid "RN15" and resid 227 and name HB2 )) ( segid "RN15" and resid 227 and name HD1%) 2.700 0.900 0.900 peak 896 spectrum 1 weight 0.10000E+01 volume 0.19395E-02 ppm1 1.844 ppm2 0.380 CV 1 ASSI { 898} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN15" and resid 226 and name HD2 )) 4.600 2.700 1.400 peak 898 spectrum 1 weight 0.10000E+01 volume 0.30647E-03 ppm1 0.384 ppm2 3.389 CV 1 ASSI { 900} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN15" and resid 227 and name HA )) 4.100 2.100 1.900 peak 900 spectrum 1 weight 0.10000E+01 volume 0.15210E-02 ppm1 0.379 ppm2 4.140 CV 1 ASSI { 901} ( segid "RN15" and resid 227 and name HD1%) ( segid "RN14" and resid 653 and name HD2%) 2.300 0.700 0.700 peak 901 spectrum 1 weight 0.10000E+01 volume 0.34841E-02 ppm1 0.383 ppm2 0.711 CV 1 ASSI { 902} ( segid "RN15" and resid 227 and name HD1%) ( segid "RN14" and resid 658 and name HD2%) 2.400 0.700 0.700 peak 902 spectrum 1 weight 0.10000E+01 volume 0.16712E-02 ppm1 0.374 ppm2 1.059 CV 1 ASSI { 903} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN14" and resid 661 and name HB1 )) 4.300 2.300 1.700 peak 903 spectrum 1 weight 0.10000E+01 volume 0.26358E-02 ppm1 0.382 ppm2 3.232 CV 1 OR { 903} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN14" and resid 661 and name HB2 )) ASSI { 904} ( segid "RN15" and resid 227 and name HD1%) ( segid "RN14" and resid 661 and name HD% ) 3.400 1.400 1.400 peak 904 spectrum 1 weight 0.10000E+01 volume 0.39482E-02 ppm1 0.380 ppm2 7.014 CV 1 ASSI { 905} ( segid "RN15" and resid 227 and name HD1%) ( segid "RN14" and resid 661 and name HE% ) 3.600 1.600 1.600 peak 905 spectrum 1 weight 0.10000E+01 volume 0.18875E-02 ppm1 0.379 ppm2 7.158 CV 1 ASSI { 906} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN14" and resid 661 and name HZ )) 5.000 3.200 1.000 peak 906 spectrum 1 weight 0.10000E+01 volume 0.47500E-03 ppm1 0.376 ppm2 7.109 CV 1 ASSI { 907} ( segid "RN15" and resid 227 and name HD1%) ( segid "RN14" and resid 662 and name HD2%) 4.600 2.600 1.400 peak 907 spectrum 1 weight 0.10000E+01 volume 0.21632E-02 ppm1 0.391 ppm2 0.797 CV 1 ASSI { 908} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN15" and resid 224 and name HA )) 3.700 1.700 1.700 peak 908 spectrum 1 weight 0.10000E+01 volume 0.12831E-02 ppm1 0.576 ppm2 4.013 CV 1 ASSI { 909} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN15" and resid 227 and name HA )) 2.100 0.500 0.500 peak 909 spectrum 1 weight 0.10000E+01 volume 0.69479E-02 ppm1 0.576 ppm2 4.142 CV 1 ASSI { 911} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN14" and resid 654 and name HB2 )) 4.600 2.700 1.400 peak 911 spectrum 1 weight 0.10000E+01 volume 0.90002E-03 ppm1 0.576 ppm2 2.745 CV 1 ASSI { 912} ( segid "RN15" and resid 227 and name HD2%) ( segid "RN14" and resid 661 and name HD% ) 2.500 0.800 0.800 peak 912 spectrum 1 weight 0.10000E+01 volume 0.47277E-02 ppm1 0.580 ppm2 7.014 CV 1 ASSI { 914} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN14" and resid 661 and name HZ )) 4.800 2.800 1.200 peak 914 spectrum 1 weight 0.10000E+01 volume 0.36456E-03 ppm1 0.572 ppm2 7.110 CV 1 ASSI { 916} (( segid "RN15" and resid 227 and name HG )) (( segid "RN15" and resid 227 and name HA )) 3.400 1.400 1.400 peak 916 spectrum 1 weight 0.10000E+01 volume 0.13277E-02 ppm1 1.450 ppm2 4.139 CV 1 ASSI { 917} (( segid "RN15" and resid 227 and name HG )) ( segid "RN15" and resid 227 and name HD1%) 2.100 0.500 0.500 peak 917 spectrum 1 weight 0.10000E+01 volume 0.36374E-02 ppm1 1.456 ppm2 0.380 CV 1 ASSI { 918} (( segid "RN14" and resid 631 and name HA )) ( segid "RN15" and resid 184 and name HD% ) 5.800 4.200 0.200 peak 918 spectrum 1 weight 0.10000E+01 volume 0.23607E-03 ppm1 3.361 ppm2 7.032 CV 1 ASSI { 919} (( segid "RN14" and resid 631 and name HA )) (( segid "RN15" and resid 187 and name HD1 )) 3.400 1.400 1.400 peak 919 spectrum 1 weight 0.10000E+01 volume 0.14134E-02 ppm1 3.371 ppm2 7.408 CV 1 ASSI { 920} (( segid "RN14" and resid 631 and name HA )) (( segid "RN15" and resid 187 and name HZ2 )) 6.000 4.500 0.000 peak 920 spectrum 1 weight 0.10000E+01 volume 0.22219E-03 ppm1 3.378 ppm2 7.534 CV 1 ASSI { 923} (( segid "RN14" and resid 631 and name HA )) (( segid "RN14" and resid 632 and name HA )) 4.300 2.300 1.700 peak 923 spectrum 1 weight 0.10000E+01 volume 0.57644E-03 ppm1 3.370 ppm2 4.530 CV 1 ASSI { 924} (( segid "RN14" and resid 631 and name HA )) (( segid "RN14" and resid 632 and name HB1 )) 5.700 4.100 0.300 peak 924 spectrum 1 weight 0.10000E+01 volume 0.33406E-03 ppm1 3.378 ppm2 2.629 CV 1 ASSI { 925} (( segid "RN14" and resid 631 and name HA )) (( segid "RN14" and resid 632 and name HG1 )) 4.900 2.900 1.100 peak 925 spectrum 1 weight 0.10000E+01 volume 0.87906E-03 ppm1 3.374 ppm2 2.162 CV 1 ASSI { 926} (( segid "RN14" and resid 631 and name HA )) (( segid "RN14" and resid 635 and name HB )) 4.900 2.900 1.100 peak 926 spectrum 1 weight 0.10000E+01 volume 0.32449E-03 ppm1 3.373 ppm2 2.015 CV 1 ASSI { 927} (( segid "RN14" and resid 631 and name HB1 )) (( segid "RN14" and resid 632 and name HD1 )) 4.500 2.600 1.500 peak 927 spectrum 1 weight 0.10000E+01 volume 0.66172E-03 ppm1 1.248 ppm2 3.546 CV 1 ASSI { 928} (( segid "RN14" and resid 631 and name HB1 )) (( segid "RN14" and resid 632 and name HD2 )) 3.300 1.300 1.300 peak 928 spectrum 1 weight 0.10000E+01 volume 0.55644E-03 ppm1 1.244 ppm2 2.796 CV 1 ASSI { 929} (( segid "RN14" and resid 631 and name HB1 )) (( segid "RN14" and resid 635 and name HB )) 3.000 1.100 1.100 peak 929 spectrum 1 weight 0.10000E+01 volume 0.61152E-03 ppm1 1.244 ppm2 2.015 CV 1 ASSI { 930} (( segid "RN14" and resid 631 and name HB2 )) (( segid "RN14" and resid 632 and name HD1 )) 5.200 3.400 0.800 peak 930 spectrum 1 weight 0.10000E+01 volume 0.66355E-03 ppm1 0.941 ppm2 3.530 CV 1 ASSI { 931} (( segid "RN14" and resid 631 and name HB2 )) (( segid "RN14" and resid 632 and name HD2 )) 4.400 2.400 1.600 peak 931 spectrum 1 weight 0.10000E+01 volume 0.70616E-03 ppm1 0.940 ppm2 2.799 CV 1 ASSI { 932} (( segid "RN14" and resid 631 and name HB2 )) (( segid "RN14" and resid 635 and name HB )) 4.600 2.600 1.400 peak 932 spectrum 1 weight 0.10000E+01 volume 0.66572E-03 ppm1 0.942 ppm2 2.016 CV 1 ASSI { 941} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN15" and resid 145 and name HA )) 3.100 1.200 1.200 peak 941 spectrum 1 weight 0.10000E+01 volume 0.60746E-03 ppm1 0.183 ppm2 5.028 CV 1 ASSI { 942} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN15" and resid 145 and name HB1 )) 3.800 1.800 1.800 peak 942 spectrum 1 weight 0.10000E+01 volume 0.60175E-03 ppm1 0.189 ppm2 2.996 CV 1 ASSI { 943} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN15" and resid 145 and name HZ )) 4.800 2.900 1.200 peak 943 spectrum 1 weight 0.10000E+01 volume 0.92413E-03 ppm1 0.188 ppm2 7.561 CV 1 ASSI { 945} ( segid "RN14" and resid 631 and name HD1%) ( segid "RN15" and resid 184 and name HD% ) 4.700 2.800 1.300 peak 945 spectrum 1 weight 0.10000E+01 volume 0.10396E-02 ppm1 0.189 ppm2 7.029 CV 1 ASSI { 947} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN15" and resid 187 and name HH2 )) 4.700 2.700 1.300 peak 947 spectrum 1 weight 0.10000E+01 volume 0.97908E-03 ppm1 0.187 ppm2 6.936 CV 1 ASSI { 948} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN14" and resid 630 and name HA )) 3.100 3.100 2.900 peak 948 spectrum 1 weight 0.10000E+01 volume 0.65915E-03 ppm1 0.188 ppm2 4.299 CV 1 ASSI { 949} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN14" and resid 631 and name HB1 )) 2.400 0.700 0.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.42851E-02 ppm1 0.188 ppm2 1.247 CV 1 ASSI { 950} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN14" and resid 631 and name HB2 )) 2.400 0.700 0.700 peak 950 spectrum 1 weight 0.10000E+01 volume 0.37319E-02 ppm1 0.188 ppm2 0.942 CV 1 ASSI { 952} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN14" and resid 632 and name HD1 )) 5.100 3.200 0.900 peak 952 spectrum 1 weight 0.10000E+01 volume 0.18101E-02 ppm1 0.188 ppm2 3.530 CV 1 ASSI { 953} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN14" and resid 632 and name HD2 )) 4.000 2.000 2.000 peak 953 spectrum 1 weight 0.10000E+01 volume 0.22610E-02 ppm1 0.189 ppm2 2.798 CV 1 ASSI { 954} ( segid "RN14" and resid 631 and name HD1%) ( segid "RN14" and resid 639 and name HD1%) 2.600 0.800 0.800 peak 954 spectrum 1 weight 0.10000E+01 volume 0.20696E-02 ppm1 0.191 ppm2 0.810 CV 1 ASSI { 958} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN15" and resid 145 and name HA )) 3.400 3.400 2.600 peak 958 spectrum 1 weight 0.10000E+01 volume 0.34419E-03 ppm1 -0.074 ppm2 5.025 CV 1 ASSI { 959} ( segid "RN14" and resid 631 and name HD2%) ( segid "RN15" and resid 145 and name HD% ) 3.700 1.700 1.700 peak 959 spectrum 1 weight 0.10000E+01 volume 0.21245E-02 ppm1 -0.071 ppm2 7.233 CV 1 ASSI { 960} ( segid "RN14" and resid 631 and name HD2%) ( segid "RN15" and resid 145 and name HE% ) 2.600 0.900 0.900 peak 960 spectrum 1 weight 0.10000E+01 volume 0.23867E-02 ppm1 -0.070 ppm2 7.284 CV 1 ASSI { 961} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN15" and resid 145 and name HZ )) 4.200 2.200 1.800 peak 961 spectrum 1 weight 0.10000E+01 volume 0.11387E-02 ppm1 -0.071 ppm2 7.562 CV 1 ASSI { 962} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN15" and resid 180 and name HZ )) 6.000 5.500 0.000 peak 962 spectrum 1 weight 0.10000E+01 volume 0.17407E-03 ppm1 -0.073 ppm2 6.499 CV 1 ASSI { 963} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN15" and resid 184 and name HA )) 5.000 3.100 1.000 peak 963 spectrum 1 weight 0.10000E+01 volume 0.35975E-03 ppm1 -0.067 ppm2 4.573 CV 1 ASSI { 964} ( segid "RN14" and resid 631 and name HD2%) ( segid "RN15" and resid 184 and name HD% ) 3.500 1.500 1.500 peak 964 spectrum 1 weight 0.10000E+01 volume 0.12852E-02 ppm1 -0.071 ppm2 7.032 CV 1 ASSI { 965} ( segid "RN14" and resid 631 and name HD2%) ( segid "RN15" and resid 184 and name HE% ) 2.900 1.100 1.100 peak 965 spectrum 1 weight 0.10000E+01 volume 0.16898E-02 ppm1 -0.071 ppm2 7.195 CV 1 ASSI { 966} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN15" and resid 187 and name HB1 )) 4.000 2.000 2.000 peak 966 spectrum 1 weight 0.10000E+01 volume 0.11224E-02 ppm1 -0.070 ppm2 3.419 CV 1 ASSI { 967} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN15" and resid 187 and name HB2 )) 4.100 2.100 1.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.12632E-02 ppm1 -0.072 ppm2 3.723 CV 1 ASSI { 968} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN15" and resid 187 and name HD1 )) 3.900 1.900 1.900 peak 968 spectrum 1 weight 0.10000E+01 volume 0.18244E-02 ppm1 -0.070 ppm2 7.415 CV 1 ASSI { 969} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN15" and resid 187 and name HH2 )) 3.800 1.800 1.800 peak 969 spectrum 1 weight 0.10000E+01 volume 0.12150E-02 ppm1 -0.071 ppm2 6.936 CV 1 ASSI { 970} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN15" and resid 187 and name HZ2 )) 2.500 0.800 0.800 peak 970 spectrum 1 weight 0.10000E+01 volume 0.24134E-02 ppm1 -0.071 ppm2 7.535 CV 1 ASSI { 971} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN15" and resid 187 and name HZ3 )) 2.900 2.900 3.100 peak 971 spectrum 1 weight 0.10000E+01 volume 0.90545E-03 ppm1 -0.070 ppm2 6.808 CV 1 ASSI { 972} ( segid "RN14" and resid 631 and name HD2%) ( segid "RN15" and resid 198 and name HD1%) 3.500 1.500 1.500 peak 972 spectrum 1 weight 0.10000E+01 volume 0.26984E-02 ppm1 -0.069 ppm2 0.257 CV 1 ASSI { 973} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 630 and name HA )) 3.200 3.200 2.800 peak 973 spectrum 1 weight 0.10000E+01 volume 0.53844E-03 ppm1 -0.073 ppm2 4.301 CV 1 ASSI { 975} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 631 and name HB1 )) 2.400 0.700 0.700 peak 975 spectrum 1 weight 0.10000E+01 volume 0.31421E-02 ppm1 -0.072 ppm2 1.246 CV 1 ASSI { 978} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 632 and name HA )) 5.400 3.700 0.600 peak 978 spectrum 1 weight 0.10000E+01 volume 0.46492E-03 ppm1 -0.073 ppm2 4.530 CV 1 ASSI { 979} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 632 and name HB2 )) 4.900 3.100 1.100 peak 979 spectrum 1 weight 0.10000E+01 volume 0.14529E-02 ppm1 -0.073 ppm2 1.831 CV 1 ASSI { 980} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 632 and name HD1 )) 3.900 1.900 1.900 peak 980 spectrum 1 weight 0.10000E+01 volume 0.21829E-02 ppm1 -0.072 ppm2 3.532 CV 1 ASSI { 981} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 632 and name HD2 )) 2.700 0.900 0.900 peak 981 spectrum 1 weight 0.10000E+01 volume 0.25105E-02 ppm1 -0.072 ppm2 2.798 CV 1 ASSI { 982} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 632 and name HG1 )) 5.200 3.400 0.800 peak 982 spectrum 1 weight 0.10000E+01 volume 0.80680E-03 ppm1 -0.071 ppm2 2.162 CV 1 ASSI { 983} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 635 and name HB )) 3.000 1.100 1.100 peak 983 spectrum 1 weight 0.10000E+01 volume 0.23455E-02 ppm1 -0.072 ppm2 2.014 CV 1 ASSI { 984} ( segid "RN14" and resid 631 and name HD2%) ( segid "RN14" and resid 639 and name HD1%) 4.000 2.000 2.000 peak 984 spectrum 1 weight 0.10000E+01 volume 0.11539E-02 ppm1 -0.070 ppm2 0.808 CV 1 ASSI { 986} (( segid "RN14" and resid 631 and name HG )) ( segid "RN15" and resid 145 and name HE% ) 3.200 1.300 1.300 peak 986 spectrum 1 weight 0.10000E+01 volume 0.68703E-03 ppm1 1.131 ppm2 7.283 CV 1 ASSI { 987} (( segid "RN14" and resid 631 and name HG )) (( segid "RN15" and resid 187 and name HD1 )) 5.600 3.900 0.400 peak 987 spectrum 1 weight 0.10000E+01 volume 0.37126E-03 ppm1 1.130 ppm2 7.410 CV 1 ASSI { 988} (( segid "RN14" and resid 631 and name HG )) (( segid "RN15" and resid 187 and name HZ2 )) 4.200 2.200 1.800 peak 988 spectrum 1 weight 0.10000E+01 volume 0.62814E-03 ppm1 1.131 ppm2 7.538 CV 1 ASSI { 989} (( segid "RN14" and resid 631 and name HG )) (( segid "RN14" and resid 631 and name HA )) 3.200 1.200 1.200 peak 989 spectrum 1 weight 0.10000E+01 volume 0.12441E-02 ppm1 1.130 ppm2 3.372 CV 1 ASSI { 990} (( segid "RN14" and resid 631 and name HG )) (( segid "RN14" and resid 632 and name HD2 )) 4.600 2.700 1.400 peak 990 spectrum 1 weight 0.10000E+01 volume 0.74574E-03 ppm1 1.128 ppm2 2.799 CV 1 ASSI { 991} (( segid "RN14" and resid 636 and name HA )) (( segid "RN15" and resid 149 and name HG2 )) 4.200 2.200 1.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.63568E-03 ppm1 3.736 ppm2 2.135 CV 1 ASSI { 992} (( segid "RN14" and resid 636 and name HA )) ( segid "RN14" and resid 636 and name HD2%) 2.300 0.600 0.600 peak 992 spectrum 1 weight 0.10000E+01 volume 0.46731E-02 ppm1 3.733 ppm2 0.749 CV 1 ASSI { 993} (( segid "RN14" and resid 636 and name HA )) (( segid "RN14" and resid 639 and name HG )) 3.200 1.300 1.300 peak 993 spectrum 1 weight 0.10000E+01 volume 0.58593E-03 ppm1 3.726 ppm2 1.765 CV 1 ASSI { 996} ( segid "RN14" and resid 636 and name HD1%) ( segid "RN14" and resid 631 and name HD1%) 4.500 2.500 1.500 peak 996 spectrum 1 weight 0.10000E+01 volume 0.18054E-02 ppm1 0.855 ppm2 0.187 CV 1 ASSI { 997} ( segid "RN14" and resid 636 and name HD1%) (( segid "RN14" and resid 636 and name HG )) 2.000 0.500 0.500 peak 997 spectrum 1 weight 0.10000E+01 volume 0.19505E-01 ppm1 0.854 ppm2 1.489 CV 1 OR { 997} ( segid "RN14" and resid 636 and name HD1%) (( segid "RN14" and resid 636 and name HB2 )) ASSI { 999} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN15" and resid 149 and name HD1 )) 2.400 0.700 0.700 peak 999 spectrum 1 weight 0.10000E+01 volume 0.46446E-02 ppm1 0.748 ppm2 3.917 CV 1 ASSI { 1002} (( segid "RN14" and resid 636 and name HG )) (( segid "RN14" and resid 636 and name HB1 )) 2.900 1.000 1.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.38057E-02 ppm1 1.481 ppm2 1.933 CV 1 ASSI { 1003} (( segid "RN14" and resid 636 and name HG )) ( segid "RN14" and resid 636 and name HD1%) 2.200 0.600 0.600 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.86095E-02 ppm1 1.483 ppm2 0.855 CV 1 ASSI { 1004} (( segid "RN14" and resid 636 and name HG )) ( segid "RN14" and resid 636 and name HD2%) 2.200 0.600 0.600 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.55076E-02 ppm1 1.486 ppm2 0.747 CV 1 ASSI { 1005} (( segid "RN14" and resid 636 and name HG )) ( segid "RN14" and resid 639 and name HD1%) 4.100 2.100 1.900 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.21732E-02 ppm1 1.496 ppm2 0.803 CV 1 ASSI { 1006} (( segid "RN14" and resid 638 and name HA )) ( segid "RN15" and resid 180 and name HD% ) 5.800 4.100 0.200 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.23577E-03 ppm1 4.117 ppm2 6.988 CV 1 ASSI { 1007} (( segid "RN14" and resid 638 and name HA )) ( segid "RN15" and resid 180 and name HE% ) 5.900 4.300 0.100 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.31427E-03 ppm1 4.125 ppm2 6.862 CV 1 ASSI { 1008} (( segid "RN14" and resid 638 and name HA )) (( segid "RN14" and resid 641 and name HB )) 5.700 4.100 0.300 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.43823E-03 ppm1 4.134 ppm2 2.481 CV 1 ASSI { 1009} (( segid "RN14" and resid 638 and name HB1 )) ( segid "RN15" and resid 180 and name HD% ) 3.300 1.300 1.300 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.16285E-02 ppm1 1.515 ppm2 6.986 CV 1 OR { 1009} (( segid "RN14" and resid 638 and name HB2 )) ( segid "RN15" and resid 180 and name HD% ) ASSI { 1010} (( segid "RN14" and resid 638 and name HB1 )) ( segid "RN15" and resid 180 and name HE% ) 3.100 1.200 1.200 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.20907E-02 ppm1 1.515 ppm2 6.861 CV 1 OR { 1010} (( segid "RN14" and resid 638 and name HB2 )) ( segid "RN15" and resid 180 and name HE% ) ASSI { 1011} (( segid "RN14" and resid 638 and name HB2 )) (( segid "RN15" and resid 180 and name HZ )) 5.000 3.100 1.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.70873E-03 ppm1 1.519 ppm2 6.498 CV 1 ASSI { 1012} (( segid "RN14" and resid 638 and name HB2 )) (( segid "RN14" and resid 635 and name HA )) 3.100 1.200 1.200 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.19660E-02 ppm1 1.518 ppm2 3.700 CV 1 ASSI { 1013} ( segid "RN14" and resid 638 and name HD1%) (( segid "RN15" and resid 168 and name HG2 )) 4.100 2.100 1.900 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.10318E-02 ppm1 0.439 ppm2 2.377 CV 1 OR { 1013} ( segid "RN14" and resid 638 and name HD1%) (( segid "RN15" and resid 168 and name HG1 )) ASSI { 1014} ( segid "RN14" and resid 638 and name HD1%) ( segid "RN15" and resid 176 and name HG1%) 2.500 2.500 3.500 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.25509E-02 ppm1 0.442 ppm2 1.057 CV 1 ASSI { 1016} ( segid "RN14" and resid 638 and name HD1%) (( segid "RN15" and resid 180 and name HB1 )) 4.500 2.500 1.500 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.54639E-03 ppm1 0.440 ppm2 3.187 CV 1 ASSI { 1017} ( segid "RN14" and resid 638 and name HD1%) ( segid "RN15" and resid 180 and name HD% ) 4.000 2.000 2.000 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.19996E-02 ppm1 0.443 ppm2 6.985 CV 1 ASSI { 1018} ( segid "RN14" and resid 638 and name HD1%) ( segid "RN15" and resid 180 and name HE% ) 4.300 2.300 1.700 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.18609E-02 ppm1 0.444 ppm2 6.862 CV 1 ASSI { 1019} ( segid "RN14" and resid 638 and name HD1%) (( segid "RN15" and resid 180 and name HZ )) 5.000 3.100 1.000 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.10691E-02 ppm1 0.444 ppm2 6.497 CV 1 ASSI { 1020} ( segid "RN14" and resid 638 and name HD1%) (( segid "RN15" and resid 208 and name HB )) 4.300 2.300 1.700 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.21385E-02 ppm1 0.442 ppm2 2.100 CV 1 ASSI { 1021} ( segid "RN14" and resid 638 and name HD1%) (( segid "RN14" and resid 635 and name HA )) 5.000 3.100 1.000 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.79989E-03 ppm1 0.442 ppm2 3.698 CV 1 ASSI { 1022} ( segid "RN14" and resid 638 and name HD1%) (( segid "RN14" and resid 638 and name HB2 )) 2.400 0.700 0.700 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.78504E-02 ppm1 0.444 ppm2 1.514 CV 1 OR { 1022} ( segid "RN14" and resid 638 and name HD1%) (( segid "RN14" and resid 638 and name HB1 )) ASSI { 1023} ( segid "RN14" and resid 638 and name HD1%) ( segid "RN14" and resid 638 and name HD2%) 1.900 0.500 0.500 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.18479E-01 ppm1 0.442 ppm2 0.292 CV 1 ASSI { 1024} ( segid "RN14" and resid 638 and name HD1%) (( segid "RN14" and resid 641 and name HB )) 5.100 3.200 0.900 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.77328E-03 ppm1 0.439 ppm2 2.485 CV 1 ASSI { 1025} ( segid "RN14" and resid 638 and name HD1%) ( segid "RN14" and resid 641 and name HG2%) 2.100 0.500 0.500 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.11292E-01 ppm1 0.443 ppm2 0.920 CV 1 ASSI { 1026} ( segid "RN14" and resid 638 and name HD2%) (( segid "RN15" and resid 172 and name HE1 )) 2.700 2.700 3.300 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.13076E-02 ppm1 0.295 ppm2 2.785 CV 1 OR { 1026} ( segid "RN14" and resid 638 and name HD2%) (( segid "RN15" and resid 172 and name HE2 )) ASSI { 1027} ( segid "RN14" and resid 638 and name HD2%) ( segid "RN15" and resid 180 and name HD% ) 2.800 1.000 1.000 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.26558E-02 ppm1 0.292 ppm2 6.985 CV 1 ASSI { 1028} ( segid "RN14" and resid 638 and name HD2%) ( segid "RN15" and resid 180 and name HE% ) 2.600 0.800 0.800 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.36296E-02 ppm1 0.293 ppm2 6.862 CV 1 ASSI { 1029} ( segid "RN14" and resid 638 and name HD2%) (( segid "RN15" and resid 180 and name HZ )) 2.600 0.800 0.800 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.35481E-02 ppm1 0.293 ppm2 6.498 CV 1 ASSI { 1030} ( segid "RN14" and resid 638 and name HD2%) (( segid "RN15" and resid 204 and name HG1 )) 2.900 2.900 3.100 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.99604E-03 ppm1 0.292 ppm2 2.857 CV 1 ASSI { 1031} ( segid "RN14" and resid 638 and name HD2%) (( segid "RN15" and resid 208 and name HB )) 3.900 1.900 1.900 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.15607E-02 ppm1 0.293 ppm2 2.107 CV 1 ASSI { 1032} ( segid "RN14" and resid 638 and name HD2%) ( segid "RN15" and resid 208 and name HG2%) 2.200 0.600 0.600 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.64699E-02 ppm1 0.294 ppm2 1.036 CV 1 ASSI { 1033} ( segid "RN14" and resid 638 and name HD2%) (( segid "RN14" and resid 635 and name HA )) 3.500 1.500 1.500 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.13558E-02 ppm1 0.290 ppm2 3.695 CV 1 ASSI { 1035} ( segid "RN14" and resid 638 and name HD2%) (( segid "RN14" and resid 638 and name HB2 )) 2.200 0.600 0.600 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.91779E-02 ppm1 0.293 ppm2 1.513 CV 1 OR { 1035} ( segid "RN14" and resid 638 and name HD2%) (( segid "RN14" and resid 638 and name HB1 )) ASSI { 1036} ( segid "RN14" and resid 638 and name HD2%) ( segid "RN14" and resid 642 and name HD1%) 2.300 2.300 3.700 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.33243E-02 ppm1 0.300 ppm2 0.551 CV 1 ASSI { 1037} (( segid "RN14" and resid 638 and name HG )) ( segid "RN15" and resid 180 and name HD% ) 4.800 2.900 1.200 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.58273E-03 ppm1 1.354 ppm2 6.987 CV 1 ASSI { 1038} (( segid "RN14" and resid 638 and name HG )) ( segid "RN14" and resid 638 and name HD1%) 2.200 0.600 0.600 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.51459E-02 ppm1 1.356 ppm2 0.444 CV 1 ASSI { 1039} (( segid "RN14" and resid 638 and name HG )) ( segid "RN14" and resid 641 and name HG2%) 3.600 1.700 1.700 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.16522E-02 ppm1 1.353 ppm2 0.919 CV 1 ASSI { 1040} (( segid "RN14" and resid 638 and name HG )) ( segid "RN14" and resid 642 and name HD1%) 3.200 1.300 1.300 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.19771E-02 ppm1 1.355 ppm2 0.548 CV 1 ASSI { 1041} (( segid "RN14" and resid 639 and name HB2 )) (( segid "RN14" and resid 639 and name HA )) 3.400 1.400 1.400 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.88380E-03 ppm1 1.427 ppm2 3.830 CV 1 ASSI { 1042} ( segid "RN14" and resid 639 and name HD1%) (( segid "RN15" and resid 149 and name HD2 )) 2.900 1.100 1.100 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.16874E-02 ppm1 0.808 ppm2 3.385 CV 1 ASSI { 1043} ( segid "RN14" and resid 639 and name HD2%) ( segid "RN15" and resid 180 and name HE% ) 3.200 1.200 1.200 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.56175E-03 ppm1 0.863 ppm2 6.862 CV 1 ASSI { 1044} ( segid "RN14" and resid 639 and name HD2%) (( segid "RN15" and resid 180 and name HZ )) 3.300 1.400 1.400 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.42672E-03 ppm1 0.866 ppm2 6.498 CV 1 ASSI { 1045} (( segid "RN14" and resid 652 and name HA )) ( segid "RN15" and resid 207 and name HD% ) 5.200 3.400 0.800 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.22055E-03 ppm1 4.340 ppm2 7.135 CV 1 ASSI { 1046} (( segid "RN14" and resid 652 and name HA )) ( segid "RN15" and resid 207 and name HE% ) 3.200 1.300 1.300 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.91653E-03 ppm1 4.339 ppm2 7.431 CV 1 ASSI { 1047} (( segid "RN14" and resid 652 and name HA )) (( segid "RN15" and resid 207 and name HZ )) 3.600 1.600 1.600 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.31937E-02 ppm1 4.338 ppm2 7.527 CV 1 ASSI { 1049} (( segid "RN14" and resid 652 and name HA )) ( segid "RN14" and resid 653 and name HD2%) 5.000 3.100 1.000 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.60398E-03 ppm1 4.336 ppm2 0.709 CV 1 ASSI { 1050} (( segid "RN14" and resid 652 and name HB1 )) (( segid "RN15" and resid 207 and name HZ )) 5.300 3.500 0.700 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.51396E-03 ppm1 1.633 ppm2 7.527 CV 1 OR { 1050} (( segid "RN14" and resid 652 and name HB2 )) (( segid "RN15" and resid 207 and name HZ )) ASSI { 1051} ( segid "RN14" and resid 652 and name HD1%) (( segid "RN15" and resid 203 and name HB1 )) 3.700 1.700 1.700 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.13092E-02 ppm1 0.984 ppm2 2.630 CV 1 ASSI { 1052} ( segid "RN14" and resid 652 and name HD1%) ( segid "RN15" and resid 207 and name HD% ) 4.700 2.700 1.300 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.10640E-02 ppm1 0.986 ppm2 7.136 CV 1 ASSI { 1053} ( segid "RN14" and resid 652 and name HD1%) (( segid "RN14" and resid 652 and name HA )) 3.700 1.700 1.700 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.58227E-02 ppm1 0.986 ppm2 4.338 CV 1 ASSI { 1054} ( segid "RN14" and resid 652 and name HD1%) (( segid "RN14" and resid 652 and name HG )) 2.100 0.500 0.500 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.19604E-01 ppm1 0.987 ppm2 1.589 CV 1 ASSI { 1056} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN15" and resid 203 and name HB2 )) 2.800 1.000 1.000 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.35424E-02 ppm1 0.923 ppm2 1.962 CV 1 ASSI { 1058} ( segid "RN14" and resid 652 and name HD2%) ( segid "RN15" and resid 207 and name HD% ) 3.600 1.600 1.600 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.19407E-02 ppm1 0.939 ppm2 7.139 CV 1 ASSI { 1059} ( segid "RN14" and resid 652 and name HD2%) ( segid "RN15" and resid 207 and name HE% ) 3.000 1.100 1.100 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.38803E-02 ppm1 0.934 ppm2 7.431 CV 1 ASSI { 1060} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN15" and resid 207 and name HZ )) 3.700 1.700 1.700 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.42153E-02 ppm1 0.935 ppm2 7.527 CV 1 ASSI { 1061} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN14" and resid 649 and name HA )) 3.000 1.100 1.100 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.33226E-02 ppm1 0.935 ppm2 4.939 CV 1 ASSI { 1062} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN14" and resid 652 and name HG )) 2.100 0.500 0.500 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.14827E-01 ppm1 0.940 ppm2 1.586 CV 1 ASSI { 1063} (( segid "RN14" and resid 652 and name HG )) ( segid "RN15" and resid 207 and name HE% ) 4.900 3.100 1.100 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.49169E-03 ppm1 1.587 ppm2 7.434 CV 1 ASSI { 1064} (( segid "RN14" and resid 652 and name HG )) (( segid "RN15" and resid 207 and name HZ )) 5.100 3.300 0.900 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.57696E-03 ppm1 1.583 ppm2 7.527 CV 1 ASSI { 1065} (( segid "RN14" and resid 653 and name HA )) ( segid "RN14" and resid 653 and name HD1%) 4.100 2.100 1.900 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.16342E-02 ppm1 4.441 ppm2 0.665 CV 1 ASSI { 1066} (( segid "RN14" and resid 653 and name HB2 )) ( segid "RN14" and resid 653 and name HD2%) 3.700 1.700 1.700 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.22259E-02 ppm1 1.097 ppm2 0.710 CV 1 ASSI { 1067} ( segid "RN14" and resid 653 and name HD1%) (( segid "RN15" and resid 206 and name HB1 )) 3.100 1.200 1.200 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.33424E-02 ppm1 0.667 ppm2 3.762 CV 1 ASSI { 1069} ( segid "RN14" and resid 653 and name HD1%) ( segid "RN15" and resid 207 and name HD% ) 3.100 1.200 1.200 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.17891E-02 ppm1 0.664 ppm2 7.136 CV 1 ASSI { 1070} ( segid "RN14" and resid 653 and name HD1%) ( segid "RN15" and resid 207 and name HE% ) 3.600 1.600 1.600 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.10295E-02 ppm1 0.667 ppm2 7.431 CV 1 ASSI { 1071} ( segid "RN14" and resid 653 and name HD1%) (( segid "RN15" and resid 207 and name HZ )) 5.100 3.300 0.900 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.33238E-03 ppm1 0.674 ppm2 7.528 CV 1 ASSI { 1072} ( segid "RN14" and resid 653 and name HD1%) (( segid "RN15" and resid 210 and name HA )) 4.000 2.000 2.000 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.10803E-02 ppm1 0.668 ppm2 3.852 CV 1 ASSI { 1073} ( segid "RN14" and resid 653 and name HD1%) ( segid "RN15" and resid 224 and name HD2%) 2.900 1.100 1.100 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.24395E-02 ppm1 0.678 ppm2 0.446 CV 1 ASSI { 1074} ( segid "RN14" and resid 653 and name HD1%) ( segid "RN15" and resid 227 and name HD1%) 2.300 0.700 0.700 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.19455E-02 ppm1 0.680 ppm2 0.381 CV 1 ASSI { 1076} ( segid "RN14" and resid 653 and name HD1%) ( segid "RN14" and resid 658 and name HD2%) 2.200 0.600 0.600 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.85433E-02 ppm1 0.664 ppm2 1.061 CV 1 ASSI { 1077} ( segid "RN14" and resid 653 and name HD2%) ( segid "RN15" and resid 207 and name HD% ) 3.000 1.100 1.100 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.76654E-03 ppm1 0.715 ppm2 7.141 CV 1 ASSI { 1080} (( segid "RN14" and resid 653 and name HG )) (( segid "RN14" and resid 653 and name HB2 )) 2.600 0.900 0.900 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.18007E-02 ppm1 1.535 ppm2 1.089 CV 1 ASSI { 1081} (( segid "RN14" and resid 653 and name HG )) ( segid "RN14" and resid 653 and name HD2%) 2.100 0.500 0.500 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.65247E-02 ppm1 1.522 ppm2 0.711 CV 1 ASSI { 1082} (( segid "RN14" and resid 658 and name HA )) ( segid "RN15" and resid 227 and name HD2%) 2.400 0.700 0.700 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.13056E-02 ppm1 4.268 ppm2 0.577 CV 1 ASSI { 1083} (( segid "RN14" and resid 658 and name HA )) (( segid "RN14" and resid 658 and name HB1 )) 3.300 1.300 1.300 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.84650E-03 ppm1 4.264 ppm2 2.076 CV 1 ASSI { 1085} (( segid "RN14" and resid 658 and name HA )) (( segid "RN14" and resid 661 and name HB1 )) 2.200 0.600 0.600 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.22512E-02 ppm1 4.268 ppm2 3.231 CV 1 OR { 1085} (( segid "RN14" and resid 658 and name HA )) (( segid "RN14" and resid 661 and name HB2 )) ASSI { 1086} (( segid "RN14" and resid 658 and name HA )) ( segid "RN14" and resid 661 and name HD% ) 3.500 1.600 1.600 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.16386E-02 ppm1 4.267 ppm2 7.014 CV 1 ASSI { 1087} (( segid "RN14" and resid 658 and name HA )) ( segid "RN14" and resid 661 and name HE% ) 6.000 4.400 0.000 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.38560E-03 ppm1 4.269 ppm2 7.159 CV 1 ASSI { 1089} ( segid "RN14" and resid 658 and name HD1%) ( segid "RN15" and resid 224 and name HD2%) 3.400 1.400 1.400 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.25181E-02 ppm1 0.959 ppm2 0.449 CV 1 ASSI { 1092} ( segid "RN14" and resid 658 and name HD1%) (( segid "RN14" and resid 661 and name HB1 )) 2.800 1.000 1.000 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.32181E-02 ppm1 0.961 ppm2 3.230 CV 1 OR { 1092} ( segid "RN14" and resid 658 and name HD1%) (( segid "RN14" and resid 661 and name HB2 )) ASSI { 1093} ( segid "RN14" and resid 658 and name HD1%) ( segid "RN14" and resid 661 and name HD% ) 2.100 0.500 0.500 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.80155E-02 ppm1 0.967 ppm2 7.014 CV 1 ASSI { 1094} ( segid "RN14" and resid 658 and name HD2%) (( segid "RN15" and resid 206 and name HA )) 2.100 0.500 0.500 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.87649E-02 ppm1 1.058 ppm2 4.030 CV 1 ASSI { 1095} ( segid "RN14" and resid 658 and name HD2%) (( segid "RN15" and resid 206 and name HB2 )) 3.100 1.200 1.200 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.38632E-02 ppm1 1.057 ppm2 4.073 CV 1 ASSI { 1096} ( segid "RN14" and resid 658 and name HD2%) (( segid "RN15" and resid 209 and name HB )) 2.300 0.600 0.600 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.50343E-02 ppm1 1.056 ppm2 4.355 CV 1 ASSI { 1097} ( segid "RN14" and resid 658 and name HD2%) ( segid "RN15" and resid 209 and name HG2%) 2.700 0.900 0.900 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.53644E-02 ppm1 1.057 ppm2 1.281 CV 1 ASSI { 1100} (( segid "RN14" and resid 662 and name HA )) ( segid "RN14" and resid 661 and name HD% ) 3.400 1.500 1.500 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.11673E-02 ppm1 3.752 ppm2 7.015 CV 1 ASSI { 1101} (( segid "RN14" and resid 662 and name HA )) ( segid "RN14" and resid 661 and name HE% ) 5.100 3.200 0.900 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.48241E-03 ppm1 3.752 ppm2 7.160 CV 1 ASSI { 1102} (( segid "RN14" and resid 662 and name HA )) ( segid "RN14" and resid 662 and name HD2%) 4.000 2.000 2.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.20825E-02 ppm1 3.758 ppm2 0.797 CV 1 ASSI { 1104} (( segid "RN14" and resid 662 and name HB1 )) (( segid "RN14" and resid 659 and name HA )) 2.600 0.800 0.800 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.22706E-02 ppm1 1.767 ppm2 3.305 CV 1 ASSI { 1105} (( segid "RN14" and resid 662 and name HB1 )) (( segid "RN14" and resid 662 and name HB2 )) 1.800 0.400 0.400 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.53895E-02 ppm1 1.770 ppm2 1.477 CV 1 ASSI { 1106} (( segid "RN14" and resid 662 and name HB1 )) ( segid "RN14" and resid 662 and name HD2%) 2.500 0.800 0.800 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.50144E-02 ppm1 1.774 ppm2 0.798 CV 1 ASSI { 1107} (( segid "RN14" and resid 662 and name HB1 )) ( segid "RN14" and resid 666 and name HG2%) 5.400 3.700 0.600 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.64556E-03 ppm1 1.768 ppm2 0.485 CV 1 ASSI { 1109} (( segid "RN14" and resid 662 and name HB2 )) ( segid "RN15" and resid 184 and name HE% ) 4.900 3.000 1.100 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.37182E-03 ppm1 1.499 ppm2 7.191 CV 1 ASSI { 1110} (( segid "RN14" and resid 662 and name HB2 )) (( segid "RN14" and resid 659 and name HA )) 3.600 1.600 1.600 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.16713E-02 ppm1 1.475 ppm2 3.305 CV 1 ASSI { 1111} (( segid "RN14" and resid 662 and name HB2 )) ( segid "RN14" and resid 661 and name HE% ) 5.400 3.700 0.600 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.33857E-03 ppm1 1.501 ppm2 7.158 CV 1 ASSI { 1112} (( segid "RN14" and resid 662 and name HB2 )) ( segid "RN14" and resid 666 and name HG2%) 4.200 2.200 1.800 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.95371E-03 ppm1 1.479 ppm2 0.483 CV 1 ASSI { 1113} ( segid "RN14" and resid 662 and name HD1%) ( segid "RN15" and resid 184 and name HE% ) 3.700 1.800 1.800 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.20422E-02 ppm1 0.862 ppm2 7.194 CV 1 ASSI { 1114} ( segid "RN14" and resid 662 and name HD1%) (( segid "RN14" and resid 659 and name HA )) 4.600 2.600 1.400 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.14580E-02 ppm1 0.860 ppm2 3.306 CV 1 ASSI { 1115} ( segid "RN14" and resid 662 and name HD1%) ( segid "RN14" and resid 661 and name HD% ) 3.700 1.700 1.700 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.27600E-02 ppm1 0.858 ppm2 7.023 CV 1 ASSI { 1117} ( segid "RN14" and resid 662 and name HD1%) (( segid "RN14" and resid 666 and name HB )) 2.200 0.600 0.600 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.73501E-02 ppm1 0.857 ppm2 1.823 CV 1 ASSI { 1118} ( segid "RN14" and resid 662 and name HD1%) ( segid "RN14" and resid 666 and name HG2%) 2.900 1.100 1.100 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.94075E-02 ppm1 0.858 ppm2 0.484 CV 1 ASSI { 1119} ( segid "RN14" and resid 662 and name HD2%) ( segid "RN15" and resid 184 and name HD% ) 2.400 0.700 0.700 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.55081E-02 ppm1 0.798 ppm2 7.030 CV 1 ASSI { 1120} ( segid "RN14" and resid 662 and name HD2%) ( segid "RN15" and resid 184 and name HE% ) 2.700 0.900 0.900 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.38236E-02 ppm1 0.798 ppm2 7.195 CV 1 ASSI { 1122} ( segid "RN14" and resid 662 and name HD2%) (( segid "RN15" and resid 185 and name HA )) 2.500 0.800 0.800 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.48183E-02 ppm1 0.794 ppm2 4.522 CV 1 ASSI { 1123} ( segid "RN14" and resid 662 and name HD2%) (( segid "RN15" and resid 187 and name HE3 )) 2.800 2.800 3.200 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.11072E-02 ppm1 0.802 ppm2 7.426 CV 1 ASSI { 1124} ( segid "RN14" and resid 662 and name HD2%) ( segid "RN15" and resid 209 and name HG2%) 2.200 0.600 0.600 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.96348E-02 ppm1 0.803 ppm2 1.283 CV 1 ASSI { 1125} ( segid "RN14" and resid 662 and name HD2%) (( segid "RN14" and resid 659 and name HA )) 3.400 1.400 1.400 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.20847E-02 ppm1 0.790 ppm2 3.305 CV 1 ASSI { 1126} (( segid "RN14" and resid 662 and name HG )) (( segid "RN15" and resid 185 and name HA )) 3.200 1.300 1.300 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.13864E-02 ppm1 1.616 ppm2 4.522 CV 1 ASSI { 1127} (( segid "RN14" and resid 662 and name HG )) (( segid "RN14" and resid 662 and name HA )) 3.300 1.400 1.400 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.12762E-02 ppm1 1.616 ppm2 3.751 CV 1 ASSI { 20} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN15" and resid 147 and name HG1 )) 2.600 0.800 0.800 peak 20 spectrum 1 weight 0.10000E+01 volume 0.42252E-02 ppm1 0.747 ppm2 2.278 CV 1 OR { 20} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN15" and resid 147 and name HG2 )) ASSI { 24} ( segid "RN14" and resid 638 and name HD2%) (( segid "RN14" and resid 638 and name HB2 )) 2.100 0.500 0.500 peak 24 spectrum 1 weight 0.10000E+01 volume 0.10523E-01 ppm1 0.299 ppm2 1.513 CV 1 ASSI { 27} ( segid "RN14" and resid 638 and name HD2%) (( segid "RN14" and resid 638 and name HA )) 3.700 1.700 1.700 peak 27 spectrum 1 weight 0.10000E+01 volume 0.28390E-02 ppm1 0.302 ppm2 4.132 CV 1 ASSI { 42} ( segid "RN14" and resid 668 and name HD1%) (( segid "RN14" and resid 668 and name HB )) 3.100 1.200 1.200 peak 42 spectrum 1 weight 0.10000E+01 volume 0.55442E-02 ppm1 0.649 ppm2 1.986 CV 1 ASSI { 43} ( segid "RN14" and resid 668 and name HD1%) (( segid "RN15" and resid 181 and name HB1 )) 1.900 0.400 0.400 peak 43 spectrum 1 weight 0.10000E+01 volume 0.54121E-02 ppm1 0.649 ppm2 2.217 CV 1 ASSI { 54} ( segid "RN14" and resid 668 and name HD1%) (( segid "RN15" and resid 181 and name HA )) 3.000 1.200 1.200 peak 54 spectrum 1 weight 0.10000E+01 volume 0.49049E-02 ppm1 0.646 ppm2 3.846 CV 1 ASSI { 56} ( segid "RN15" and resid 225 and name HD1%) ( segid "RN14" and resid 653 and name HD2%) 3.600 1.600 1.600 peak 56 spectrum 1 weight 0.10000E+01 volume 0.63830E-02 ppm1 0.903 ppm2 0.724 CV 1 ASSI { 65} ( segid "RN15" and resid 196 and name HB% ) (( segid "RN14" and resid 656 and name HA )) 2.000 0.500 0.500 peak 65 spectrum 1 weight 0.10000E+01 volume 0.10439E-01 ppm1 1.511 ppm2 3.904 CV 1 ASSI { 69} ( segid "RN15" and resid 188 and name HG2%) (( segid "RN15" and resid 188 and name HA )) 2.700 0.900 0.900 peak 69 spectrum 1 weight 0.10000E+01 volume 0.85124E-02 ppm1 0.626 ppm2 3.200 CV 1 ASSI { 71} ( segid "RN14" and resid 666 and name HG2%) (( segid "RN14" and resid 666 and name HA )) 2.200 0.600 0.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.14063E-01 ppm1 0.512 ppm2 4.054 CV 1 OR { 71} ( segid "RN14" and resid 666 and name HG1%) (( segid "RN14" and resid 666 and name HA )) ASSI { 82} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN15" and resid 178 and name HA )) 2.100 0.500 0.500 peak 82 spectrum 1 weight 0.10000E+01 volume 0.12917E-01 ppm1 0.850 ppm2 4.054 CV 1 ASSI { 84} ( segid "RN14" and resid 658 and name HD1%) (( segid "RN14" and resid 658 and name HA )) 2.000 0.500 0.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.86781E-02 ppm1 0.964 ppm2 4.265 CV 1 ASSI { 90} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN15" and resid 209 and name HA )) 2.100 0.500 0.500 peak 90 spectrum 1 weight 0.10000E+01 volume 0.50954E-02 ppm1 1.115 ppm2 3.655 CV 1 ASSI { 91} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN14" and resid 652 and name HA )) 2.000 0.500 0.500 peak 91 spectrum 1 weight 0.10000E+01 volume 0.13599E-01 ppm1 0.943 ppm2 4.340 CV 1 ASSI { 98} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 141 and name HA )) 3.600 1.600 1.600 peak 98 spectrum 1 weight 0.10000E+01 volume 0.40837E-02 ppm1 1.001 ppm2 4.151 CV 1 ASSI { 103} ( segid "RN15" and resid 201 and name HD1%) (( segid "RN15" and resid 201 and name HA )) 2.300 0.600 0.600 peak 103 spectrum 1 weight 0.10000E+01 volume 0.96360E-02 ppm1 1.021 ppm2 4.269 CV 1 ASSI { 106} ( segid "RN14" and resid 659 and name HG2%) (( segid "RN15" and resid 196 and name HA )) 2.200 0.600 0.600 peak 106 spectrum 1 weight 0.10000E+01 volume 0.54806E-02 ppm1 1.011 ppm2 3.953 CV 1 ASSI { 107} (( segid "RN14" and resid 626 and name HG1 )) (( segid "RN14" and resid 626 and name HE2 )) 2.800 1.000 1.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.44978E-02 ppm1 1.386 ppm2 2.992 CV 1 OR { 107} (( segid "RN14" and resid 626 and name HG2 )) (( segid "RN14" and resid 626 and name HE2 )) ASSI { 109} (( segid "RN15" and resid 174 and name HG1 )) (( segid "RN15" and resid 174 and name HA )) 2.500 0.800 0.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.40907E-02 ppm1 1.652 ppm2 3.810 CV 1 ASSI { 110} ( segid "RN15" and resid 178 and name HD1%) (( segid "RN15" and resid 174 and name HE2 )) 2.900 1.000 1.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.36609E-02 ppm1 0.876 ppm2 3.051 CV 1 ASSI { 115} ( segid "RN15" and resid 205 and name HD2%) (( segid "RN15" and resid 205 and name HA )) 3.300 1.400 1.400 peak 115 spectrum 1 weight 0.10000E+01 volume 0.40151E-02 ppm1 0.631 ppm2 4.060 CV 1 ASSI { 125} ( segid "RN14" and resid 658 and name HD1%) (( segid "RN14" and resid 661 and name HB1 )) 2.600 0.800 0.800 peak 125 spectrum 1 weight 0.10000E+01 volume 0.29708E-02 ppm1 0.964 ppm2 3.228 CV 1 ASSI { 134} (( segid "RN15" and resid 174 and name HD1 )) (( segid "RN15" and resid 174 and name HA )) 3.700 1.700 1.700 peak 134 spectrum 1 weight 0.10000E+01 volume 0.30281E-02 ppm1 1.781 ppm2 3.811 CV 1 OR { 134} (( segid "RN15" and resid 174 and name HD2 )) (( segid "RN15" and resid 174 and name HA )) ASSI { 168} (( segid "RN15" and resid 192 and name HB2 )) (( segid "RN15" and resid 192 and name HA )) 2.400 0.700 0.700 peak 168 spectrum 1 weight 0.10000E+01 volume 0.63688E-02 ppm1 1.932 ppm2 4.293 CV 1 OR { 168} (( segid "RN15" and resid 192 and name HB1 )) (( segid "RN15" and resid 192 and name HA )) ASSI { 169} (( segid "RN15" and resid 174 and name HB2 )) (( segid "RN15" and resid 174 and name HA )) 2.400 0.700 0.700 peak 169 spectrum 1 weight 0.10000E+01 volume 0.44865E-02 ppm1 1.833 ppm2 3.811 CV 1 ASSI { 174} (( segid "RN15" and resid 182 and name HG1 )) (( segid "RN15" and resid 182 and name HA )) 2.900 1.100 1.100 peak 174 spectrum 1 weight 0.10000E+01 volume 0.37952E-02 ppm1 2.593 ppm2 3.838 CV 1 ASSI { 183} (( segid "RN15" and resid 179 and name HB2 )) (( segid "RN15" and resid 179 and name HA )) 2.600 0.800 0.800 peak 183 spectrum 1 weight 0.10000E+01 volume 0.78624E-02 ppm1 1.963 ppm2 4.171 CV 1 ASSI { 195} (( segid "RN15" and resid 155 and name HB2 )) (( segid "RN15" and resid 155 and name HB1 )) 1.800 0.400 0.400 peak 195 spectrum 1 weight 0.10000E+01 volume 0.11920E-01 ppm1 3.060 ppm2 2.709 CV 1 ASSI { 199} (( segid "RN14" and resid 634 and name HG2 )) (( segid "RN14" and resid 634 and name HA )) 3.100 1.200 1.200 peak 199 spectrum 1 weight 0.10000E+01 volume 0.34972E-02 ppm1 2.437 ppm2 4.071 CV 1 OR { 199} (( segid "RN14" and resid 634 and name HG1 )) (( segid "RN14" and resid 634 and name HA )) ASSI { 215} (( segid "RN15" and resid 222 and name HB2 )) (( segid "RN15" and resid 222 and name HA )) 2.500 0.800 0.800 peak 215 spectrum 1 weight 0.10000E+01 volume 0.65978E-02 ppm1 2.675 ppm2 4.314 CV 1 ASSI { 224} ( segid "RN15" and resid 138 and name HB% ) (( segid "RN15" and resid 201 and name HG )) 3.500 1.500 1.500 peak 224 spectrum 1 weight 0.10000E+01 volume 0.65413E-02 ppm1 1.396 ppm2 1.951 CV 1 ASSI { 229} ( segid "RN14" and resid 666 and name HG1%) (( segid "RN14" and resid 666 and name HB )) 1.800 0.400 0.400 peak 229 spectrum 1 weight 0.10000E+01 volume 0.16740E-01 ppm1 0.517 ppm2 1.824 CV 1 ASSI { 232} ( segid "RN14" and resid 638 and name HD1%) (( segid "RN14" and resid 638 and name HB2 )) 2.100 0.600 0.600 peak 232 spectrum 1 weight 0.10000E+01 volume 0.96154E-02 ppm1 0.447 ppm2 1.516 CV 1 ASSI { 255} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN15" and resid 178 and name HG )) 2.100 0.500 0.500 peak 255 spectrum 1 weight 0.10000E+01 volume 0.13256E-01 ppm1 0.849 ppm2 1.857 CV 1 OR { 255} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN15" and resid 178 and name HB1 )) ASSI { 258} ( segid "RN15" and resid 221 and name HG2%) (( segid "RN15" and resid 214 and name HB1 )) 3.200 1.300 1.300 peak 258 spectrum 1 weight 0.10000E+01 volume 0.51974E-02 ppm1 1.085 ppm2 1.933 CV 1 ASSI { 276} ( segid "RN14" and resid 639 and name HD1%) (( segid "RN14" and resid 639 and name HG )) 2.000 0.500 0.500 peak 276 spectrum 1 weight 0.10000E+01 volume 0.99318E-02 ppm1 0.809 ppm2 1.763 CV 1 ASSI { 280} ( segid "RN14" and resid 653 and name HD1%) (( segid "RN14" and resid 653 and name HG )) 1.800 0.400 0.400 peak 280 spectrum 1 weight 0.10000E+01 volume 0.13639E-01 ppm1 0.666 ppm2 1.521 CV 1 OR { 280} ( segid "RN14" and resid 653 and name HD1%) (( segid "RN14" and resid 653 and name HB1 )) ASSI { 283} ( segid "RN14" and resid 658 and name HD2%) (( segid "RN14" and resid 658 and name HB1 )) 2.400 0.700 0.700 peak 283 spectrum 1 weight 0.10000E+01 volume 0.47634E-02 ppm1 1.052 ppm2 2.062 CV 1 ASSI { 291} ( segid "RN15" and resid 199 and name HD2%) (( segid "RN15" and resid 205 and name HG )) 1.900 0.400 0.400 peak 291 spectrum 1 weight 0.10000E+01 volume 0.69519E-02 ppm1 0.927 ppm2 1.464 CV 1 ASSI { 316} (( segid "RN14" and resid 656 and name HB2 )) (( segid "RN14" and resid 656 and name HG1 )) 2.000 0.500 0.500 peak 316 spectrum 1 weight 0.10000E+01 volume 0.11990E-01 ppm1 2.138 ppm2 2.421 CV 1 ASSI { 327} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 224 and name HG )) 2.200 0.600 0.600 peak 327 spectrum 1 weight 0.10000E+01 volume 0.88471E-02 ppm1 0.718 ppm2 1.584 CV 1 ASSI { 344} ( segid "RN15" and resid 196 and name HB% ) ( segid "RN14" and resid 659 and name HG1%) 2.700 0.900 0.900 peak 344 spectrum 1 weight 0.10000E+01 volume 0.39854E-02 ppm1 1.514 ppm2 0.924 CV 1 ASSI { 348} ( segid "RN15" and resid 195 and name HB% ) ( segid "RN14" and resid 659 and name HG1%) 2.600 0.900 0.900 peak 348 spectrum 1 weight 0.10000E+01 volume 0.58518E-02 ppm1 1.396 ppm2 0.917 CV 1 ASSI { 359} ( segid "RN15" and resid 154 and name HG1%) ( segid "RN15" and resid 154 and name HG2%) 2.200 0.600 0.600 peak 359 spectrum 1 weight 0.10000E+01 volume 0.12539E-01 ppm1 0.349 ppm2 0.180 CV 1 ASSI { 361} ( segid "RN15" and resid 198 and name HD1%) ( segid "RN15" and resid 198 and name HD2%) 2.000 0.500 0.500 peak 361 spectrum 1 weight 0.10000E+01 volume 0.12217E-01 ppm1 0.254 ppm2 0.688 CV 1 ASSI { 378} (( segid "RN14" and resid 657 and name HG2 )) (( segid "RN14" and resid 657 and name HG1 )) 1.800 0.400 0.400 peak 378 spectrum 1 weight 0.10000E+01 volume 0.57032E-02 ppm1 1.697 ppm2 1.441 CV 1 ASSI { 385} (( segid "RN15" and resid 178 and name HG )) ( segid "RN15" and resid 178 and name HD2%) 2.100 0.500 0.500 peak 385 spectrum 1 weight 0.10000E+01 volume 0.10756E-01 ppm1 1.858 ppm2 0.865 CV 1 OR { 385} (( segid "RN15" and resid 178 and name HG )) ( segid "RN15" and resid 178 and name HD1%) ASSI { 413} (( segid "RN15" and resid 218 and name HG11)) (( segid "RN15" and resid 218 and name HG12)) 1.600 0.300 0.600 peak 413 spectrum 1 weight 0.10000E+01 volume 0.80698E-02 ppm1 1.547 ppm2 1.171 CV 1 ASSI { 434} (( segid "RN15" and resid 152 and name HB )) ( segid "RN15" and resid 152 and name HG2%) 2.300 0.600 0.600 peak 434 spectrum 1 weight 0.10000E+01 volume 0.11629E-01 ppm1 1.981 ppm2 0.840 CV 1 ASSI { 465} (( segid "RN15" and resid 226 and name HB1 )) (( segid "RN15" and resid 226 and name HB2 )) 1.700 0.400 0.500 peak 465 spectrum 1 weight 0.10000E+01 volume 0.12370E-01 ppm1 2.416 ppm2 1.732 CV 1 ASSI { 466} (( segid "RN15" and resid 130 and name HB2 )) (( segid "RN15" and resid 130 and name HB1 )) 1.600 0.300 0.600 peak 466 spectrum 1 weight 0.10000E+01 volume 0.21100E-01 ppm1 2.201 ppm2 1.787 CV 1 ASSI { 467} (( segid "RN15" and resid 149 and name HB2 )) (( segid "RN15" and resid 149 and name HB1 )) 1.700 0.300 0.500 peak 467 spectrum 1 weight 0.10000E+01 volume 0.11589E-01 ppm1 2.359 ppm2 1.756 CV 1 ASSI { 471} (( segid "RN15" and resid 182 and name HG1 )) (( segid "RN15" and resid 182 and name HG2 )) 1.600 0.300 0.600 peak 471 spectrum 1 weight 0.10000E+01 volume 0.17316E-01 ppm1 2.580 ppm2 2.324 CV 1 ASSI { 475} (( segid "RN15" and resid 182 and name HG1 )) (( segid "RN15" and resid 182 and name HB1 )) 2.500 0.800 0.800 peak 475 spectrum 1 weight 0.10000E+01 volume 0.58753E-02 ppm1 2.579 ppm2 2.216 CV 1 ASSI { 479} (( segid "RN15" and resid 226 and name HB1 )) (( segid "RN15" and resid 226 and name HG1 )) 2.500 0.800 0.800 peak 479 spectrum 1 weight 0.10000E+01 volume 0.37287E-02 ppm1 2.412 ppm2 1.910 CV 1 ASSI { 481} (( segid "RN15" and resid 220 and name HB2 )) (( segid "RN15" and resid 220 and name HB1 )) 1.700 0.300 0.500 peak 481 spectrum 1 weight 0.10000E+01 volume 0.17935E-01 ppm1 2.090 ppm2 1.741 CV 1 OR { 481} (( segid "RN15" and resid 220 and name HB2 )) (( segid "RN15" and resid 220 and name HD2 )) OR { 481} (( segid "RN15" and resid 220 and name HB2 )) (( segid "RN15" and resid 220 and name HD1 )) ASSI { 494} (( segid "RN15" and resid 193 and name HG1 )) (( segid "RN15" and resid 193 and name HB1 )) 2.500 0.800 0.800 peak 494 spectrum 1 weight 0.10000E+01 volume 0.16611E-01 ppm1 2.410 ppm2 2.061 CV 1 ASSI { 495} (( segid "RN15" and resid 148 and name HB1 )) (( segid "RN15" and resid 148 and name HB2 )) 1.700 0.400 0.500 peak 495 spectrum 1 weight 0.10000E+01 volume 0.99513E-02 ppm1 1.696 ppm2 1.397 CV 1 ASSI { 511} (( segid "RN15" and resid 220 and name HE2 )) (( segid "RN15" and resid 220 and name HG2 )) 2.800 1.000 1.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.55644E-02 ppm1 3.034 ppm2 1.515 CV 1 OR { 511} (( segid "RN15" and resid 220 and name HE2 )) (( segid "RN15" and resid 220 and name HG1 )) ASSI { 515} (( segid "RN15" and resid 183 and name HE2 )) (( segid "RN14" and resid 632 and name HG1 )) 3.300 1.300 1.300 peak 515 spectrum 1 weight 0.10000E+01 volume 0.58947E-02 ppm1 3.003 ppm2 2.139 CV 1 ASSI { 520} (( segid "RN15" and resid 138 and name HA )) ( segid "RN15" and resid 138 and name HB% ) 2.100 0.600 0.600 peak 520 spectrum 1 weight 0.10000E+01 volume 0.20770E-01 ppm1 4.233 ppm2 1.399 CV 1 ASSI { 526} (( segid "RN15" and resid 224 and name HA )) ( segid "RN15" and resid 227 and name HD1%) 2.400 0.700 0.700 peak 526 spectrum 1 weight 0.10000E+01 volume 0.35544E-02 ppm1 4.014 ppm2 0.381 CV 1 ASSI { 546} (( segid "RN15" and resid 162 and name HA )) ( segid "RN15" and resid 162 and name HB% ) 2.300 0.600 0.600 peak 546 spectrum 1 weight 0.10000E+01 volume 0.13357E-01 ppm1 3.952 ppm2 1.430 CV 1 ASSI { 586} (( segid "RN15" and resid 215 and name HB )) ( segid "RN15" and resid 215 and name HG2%) 2.100 0.500 0.500 peak 586 spectrum 1 weight 0.10000E+01 volume 0.13363E-01 ppm1 4.301 ppm2 1.389 CV 1 ASSI { 591} (( segid "RN14" and resid 654 and name HA )) (( segid "RN14" and resid 654 and name HB1 )) 2.600 0.900 0.900 peak 591 spectrum 1 weight 0.10000E+01 volume 0.42562E-02 ppm1 4.414 ppm2 2.362 CV 1 ASSI { 592} (( segid "RN14" and resid 628 and name HA )) (( segid "RN14" and resid 628 and name HB1 )) 2.300 0.700 0.700 peak 592 spectrum 1 weight 0.10000E+01 volume 0.16683E-01 ppm1 4.642 ppm2 2.749 CV 1 OR { 592} (( segid "RN14" and resid 628 and name HA )) (( segid "RN14" and resid 628 and name HB2 )) ASSI { 596} (( segid "RN15" and resid 147 and name HA )) (( segid "RN15" and resid 147 and name HB1 )) 2.300 0.700 0.700 peak 596 spectrum 1 weight 0.10000E+01 volume 0.96582E-02 ppm1 4.273 ppm2 1.998 CV 1 ASSI { 603} (( segid "RN14" and resid 630 and name HA )) (( segid "RN14" and resid 630 and name HB2 )) 2.800 1.000 1.000 peak 603 spectrum 1 weight 0.10000E+01 volume 0.61374E-02 ppm1 4.291 ppm2 2.173 CV 1 ASSI { 608} (( segid "RN15" and resid 222 and name HA )) (( segid "RN15" and resid 222 and name HB1 )) 2.900 1.000 1.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.36753E-02 ppm1 4.322 ppm2 2.416 CV 1 ASSI { 618} (( segid "RN15" and resid 193 and name HA )) (( segid "RN15" and resid 193 and name HG2 )) 2.500 0.800 0.800 peak 618 spectrum 1 weight 0.10000E+01 volume 0.59421E-02 ppm1 4.184 ppm2 2.292 CV 1 ASSI { 624} (( segid "RN15" and resid 175 and name HA )) (( segid "RN15" and resid 175 and name HB1 )) 2.700 0.900 0.900 peak 624 spectrum 1 weight 0.10000E+01 volume 0.73244E-02 ppm1 4.015 ppm2 2.060 CV 1 ASSI { 625} (( segid "RN15" and resid 175 and name HA )) (( segid "RN15" and resid 175 and name HB2 )) 2.400 0.700 0.700 peak 625 spectrum 1 weight 0.10000E+01 volume 0.70633E-02 ppm1 4.006 ppm2 2.119 CV 1 ASSI { 643} (( segid "RN15" and resid 214 and name HA )) (( segid "RN15" and resid 214 and name HB1 )) 2.400 0.700 0.700 peak 643 spectrum 1 weight 0.10000E+01 volume 0.43770E-02 ppm1 4.325 ppm2 1.912 CV 1 ASSI { 647} (( segid "RN15" and resid 182 and name HA )) (( segid "RN15" and resid 182 and name HG2 )) 2.700 0.900 0.900 peak 647 spectrum 1 weight 0.10000E+01 volume 0.47995E-02 ppm1 3.861 ppm2 2.325 CV 1 ASSI { 665} (( segid "RN15" and resid 135 and name HA )) (( segid "RN15" and resid 142 and name HB1 )) 2.500 0.800 0.800 peak 665 spectrum 1 weight 0.10000E+01 volume 0.66726E-02 ppm1 4.405 ppm2 3.942 CV 1 OR { 665} (( segid "RN15" and resid 135 and name HA )) (( segid "RN15" and resid 142 and name HB2 )) ASSI { 674} (( segid "RN15" and resid 135 and name HB1 )) (( segid "RN15" and resid 134 and name HA )) 2.300 2.300 3.700 peak 674 spectrum 1 weight 0.10000E+01 volume 0.53530E-01 ppm1 3.907 ppm2 4.718 CV 1 OR { 674} (( segid "RN15" and resid 135 and name HB2 )) (( segid "RN15" and resid 134 and name HA )) ASSI { 691} (( segid "RN15" and resid 130 and name HB2 )) (( segid "RN15" and resid 130 and name HD2 )) 3.400 1.400 1.400 peak 691 spectrum 1 weight 0.10000E+01 volume 0.32153E-02 ppm1 2.227 ppm2 3.608 CV 1 OR { 691} (( segid "RN15" and resid 130 and name HB2 )) (( segid "RN15" and resid 130 and name HD1 )) ASSI { 692} (( segid "RN15" and resid 218 and name HG12)) (( segid "RN15" and resid 218 and name HA )) 3.100 1.200 1.200 peak 692 spectrum 1 weight 0.10000E+01 volume 0.32331E-02 ppm1 1.176 ppm2 3.884 CV 1 ASSI { 705} (( segid "RN15" and resid 174 and name HG2 )) (( segid "RN15" and resid 174 and name HA )) 3.100 1.200 1.200 peak 705 spectrum 1 weight 0.10000E+01 volume 0.20089E-02 ppm1 1.420 ppm2 3.809 CV 1 ASSI { 710} ( segid "RN14" and resid 653 and name HD1%) (( segid "RN15" and resid 206 and name HB2 )) 3.100 1.200 1.200 peak 710 spectrum 1 weight 0.10000E+01 volume 0.28820E-02 ppm1 0.666 ppm2 4.068 CV 1 ASSI { 712} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN14" and resid 661 and name HB1 )) 4.200 2.200 1.800 peak 712 spectrum 1 weight 0.10000E+01 volume 0.22419E-02 ppm1 0.386 ppm2 3.228 CV 1 ASSI { 716} (( segid "RN15" and resid 154 and name HB )) (( segid "RN15" and resid 154 and name HA )) 3.100 1.200 1.200 peak 716 spectrum 1 weight 0.10000E+01 volume 0.20709E-02 ppm1 1.173 ppm2 3.928 CV 1 ASSI { 718} (( segid "RN15" and resid 178 and name HG )) (( segid "RN15" and resid 178 and name HA )) 3.300 1.400 1.400 peak 718 spectrum 1 weight 0.10000E+01 volume 0.20209E-02 ppm1 1.858 ppm2 4.053 CV 1 ASSI { 720} (( segid "RN15" and resid 130 and name HG2 )) (( segid "RN15" and resid 130 and name HA )) 3.700 1.800 1.800 peak 720 spectrum 1 weight 0.10000E+01 volume 0.24891E-02 ppm1 2.001 ppm2 4.386 CV 1 OR { 720} (( segid "RN15" and resid 130 and name HG1 )) (( segid "RN15" and resid 130 and name HA )) ASSI { 727} (( segid "RN15" and resid 225 and name HG11)) (( segid "RN15" and resid 225 and name HA )) 3.300 1.400 1.400 peak 727 spectrum 1 weight 0.10000E+01 volume 0.26413E-02 ppm1 1.742 ppm2 3.908 CV 1 ASSI { 748} (( segid "RN15" and resid 147 and name HG2 )) (( segid "RN15" and resid 146 and name HD2 )) 2.800 1.000 1.000 peak 748 spectrum 1 weight 0.10000E+01 volume 0.26140E-02 ppm1 2.295 ppm2 3.416 CV 1 OR { 748} (( segid "RN15" and resid 147 and name HG1 )) (( segid "RN15" and resid 146 and name HD2 )) ASSI { 755} (( segid "RN14" and resid 662 and name HB1 )) (( segid "RN14" and resid 662 and name HA )) 2.800 1.000 1.000 peak 755 spectrum 1 weight 0.10000E+01 volume 0.28049E-02 ppm1 1.773 ppm2 3.749 CV 1 ASSI { 798} (( segid "RN15" and resid 144 and name HA )) (( segid "RN15" and resid 144 and name HG1 )) 3.300 1.400 1.400 peak 798 spectrum 1 weight 0.10000E+01 volume 0.17887E-02 ppm1 3.976 ppm2 1.067 CV 1 ASSI { 810} (( segid "RN15" and resid 206 and name HA )) ( segid "RN15" and resid 199 and name HD2%) 2.700 0.900 0.900 peak 810 spectrum 1 weight 0.10000E+01 volume 0.22421E-02 ppm1 4.039 ppm2 0.923 CV 1 OR { 810} (( segid "RN15" and resid 206 and name HB2 )) ( segid "RN15" and resid 199 and name HD2%) ASSI { 823} (( segid "RN14" and resid 635 and name HA )) (( segid "RN14" and resid 635 and name HB )) 2.700 0.900 0.900 peak 823 spectrum 1 weight 0.10000E+01 volume 0.20369E-02 ppm1 3.703 ppm2 2.009 CV 1 ASSI { 829} (( segid "RN14" and resid 661 and name HA )) (( segid "RN14" and resid 665 and name HB1 )) 4.100 2.100 1.900 peak 829 spectrum 1 weight 0.10000E+01 volume 0.24428E-02 ppm1 4.237 ppm2 1.602 CV 1 ASSI { 858} (( segid "RN15" and resid 148 and name HA )) (( segid "RN15" and resid 148 and name HB1 )) 2.600 0.900 0.900 peak 858 spectrum 1 weight 0.10000E+01 volume 0.20840E-02 ppm1 4.262 ppm2 1.697 CV 1 ASSI { 865} (( segid "RN14" and resid 664 and name HB1 )) (( segid "RN14" and resid 665 and name HG1 )) 3.100 1.200 1.200 peak 865 spectrum 1 weight 0.10000E+01 volume 0.19239E-02 ppm1 2.648 ppm2 2.285 CV 1 OR { 865} (( segid "RN14" and resid 664 and name HB1 )) (( segid "RN14" and resid 665 and name HG2 )) ASSI { 868} (( segid "RN14" and resid 663 and name HB1 )) (( segid "RN14" and resid 663 and name HB2 )) 1.900 0.500 0.500 peak 868 spectrum 1 weight 0.10000E+01 volume 0.48693E-02 ppm1 2.697 ppm2 2.923 CV 1 ASSI { 871} (( segid "RN14" and resid 665 and name HG1 )) (( segid "RN14" and resid 664 and name HB2 )) 3.900 1.900 1.900 peak 871 spectrum 1 weight 0.10000E+01 volume 0.27876E-02 ppm1 2.285 ppm2 2.744 CV 1 OR { 871} (( segid "RN14" and resid 665 and name HG2 )) (( segid "RN14" and resid 664 and name HB2 )) ASSI { 875} (( segid "RN14" and resid 654 and name HA )) (( segid "RN14" and resid 654 and name HB2 )) 3.000 1.100 1.100 peak 875 spectrum 1 weight 0.10000E+01 volume 0.25922E-02 ppm1 4.411 ppm2 2.743 CV 1 ASSI { 876} (( segid "RN14" and resid 663 and name HA )) (( segid "RN14" and resid 663 and name HB2 )) 2.900 1.000 1.000 peak 876 spectrum 1 weight 0.10000E+01 volume 0.20631E-02 ppm1 4.327 ppm2 2.918 CV 1 ASSI { 885} (( segid "RN14" and resid 650 and name HB )) (( segid "RN14" and resid 650 and name HA )) 2.300 0.700 0.700 peak 885 spectrum 1 weight 0.10000E+01 volume 0.95691E-02 ppm1 4.290 ppm2 4.583 CV 1 ASSI { 886} (( segid "RN14" and resid 633 and name HA )) (( segid "RN14" and resid 633 and name HB )) 2.200 0.600 0.600 peak 886 spectrum 1 weight 0.10000E+01 volume 0.87369E-02 ppm1 3.724 ppm2 4.086 CV 1 ASSI { 893} ( segid "RN15" and resid 213 and name HD1%) ( segid "RN15" and resid 207 and name HD% ) 4.600 2.700 1.400 peak 893 spectrum 1 weight 0.10000E+01 volume 0.26334E-02 ppm1 0.953 ppm2 7.147 CV 1 ASSI { 897} ( segid "RN15" and resid 225 and name HG2%) (( segid "RN15" and resid 226 and name HD2 )) 4.800 2.900 1.200 peak 897 spectrum 1 weight 0.10000E+01 volume 0.19863E-02 ppm1 0.934 ppm2 3.387 CV 1 ASSI { 900} ( segid "RN14" and resid 671 and name HG2%) (( segid "RN15" and resid 179 and name HE2 )) 2.500 2.500 3.500 peak 900 spectrum 1 weight 0.10000E+01 volume 0.22111E-02 ppm1 0.963 ppm2 3.009 CV 1 OR { 900} ( segid "RN14" and resid 671 and name HG1%) (( segid "RN15" and resid 179 and name HE2 )) ASSI { 912} (( segid "RN15" and resid 174 and name HG1 )) (( segid "RN15" and resid 216 and name HB2 )) 3.700 1.700 1.700 peak 912 spectrum 1 weight 0.10000E+01 volume 0.17358E-02 ppm1 1.642 ppm2 2.852 CV 1 ASSI { 919} ( segid "RN15" and resid 218 and name HG2%) (( segid "RN14" and resid 666 and name HB )) 4.100 2.100 1.900 peak 919 spectrum 1 weight 0.10000E+01 volume 0.30681E-02 ppm1 1.031 ppm2 1.826 CV 1 ASSI { 936} (( segid "RN15" and resid 171 and name HG2 )) (( segid "RN15" and resid 171 and name HB1 )) 2.700 0.900 0.900 peak 936 spectrum 1 weight 0.10000E+01 volume 0.28769E-02 ppm1 1.444 ppm2 2.048 CV 1 ASSI { 944} (( segid "RN14" and resid 634 and name HB2 )) (( segid "RN15" and resid 184 and name HB1 )) 4.000 2.000 2.000 peak 944 spectrum 1 weight 0.10000E+01 volume 0.22772E-02 ppm1 1.858 ppm2 2.510 CV 1 OR { 944} (( segid "RN14" and resid 634 and name HB1 )) (( segid "RN15" and resid 184 and name HB1 )) ASSI { 950} (( segid "RN14" and resid 644 and name HB2 )) (( segid "RN14" and resid 644 and name HB1 )) 2.100 0.500 0.500 peak 950 spectrum 1 weight 0.10000E+01 volume 0.26870E-02 ppm1 1.760 ppm2 2.393 CV 1 ASSI { 953} (( segid "RN15" and resid 212 and name HB2 )) (( segid "RN15" and resid 212 and name HB1 )) 1.700 0.400 0.500 peak 953 spectrum 1 weight 0.10000E+01 volume 0.29111E-02 ppm1 1.217 ppm2 2.263 CV 1 ASSI { 999} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 632 and name HG2 )) 4.700 2.800 1.300 peak 999 spectrum 1 weight 0.10000E+01 volume 0.66624E-03 ppm1 -0.064 ppm2 1.824 CV 1 OR { 999} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 632 and name HB2 )) ASSI { 1051} (( segid "RN15" and resid 172 and name HE2 )) ( segid "RN14" and resid 638 and name HD2%) 4.500 2.600 1.500 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.78847E-03 ppm1 2.798 ppm2 0.295 CV 1 ASSI { 1064} (( segid "RN15" and resid 129 and name HA1 )) (( segid "RN15" and resid 130 and name HD2 )) 2.400 0.700 0.700 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.12246E-01 ppm1 4.129 ppm2 3.623 CV 1 OR { 1064} (( segid "RN15" and resid 129 and name HA1 )) (( segid "RN15" and resid 130 and name HD1 )) OR { 1064} (( segid "RN15" and resid 129 and name HA2 )) (( segid "RN15" and resid 130 and name HD1 )) OR { 1064} (( segid "RN15" and resid 129 and name HA2 )) (( segid "RN15" and resid 130 and name HD2 )) ASSI { 1066} (( segid "RN15" and resid 130 and name HA )) (( segid "RN15" and resid 130 and name HB1 )) 2.900 1.000 1.000 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.22280E-02 ppm1 4.386 ppm2 1.787 CV 1 ASSI { 1069} (( segid "RN15" and resid 130 and name HB2 )) (( segid "RN15" and resid 130 and name HA )) 2.700 0.900 0.900 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.90676E-02 ppm1 2.203 ppm2 4.387 CV 1 ASSI { 1070} (( segid "RN15" and resid 130 and name HD1 )) (( segid "RN15" and resid 128 and name HA )) 3.200 1.300 1.300 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.62762E-02 ppm1 3.625 ppm2 4.771 CV 1 OR { 1070} (( segid "RN15" and resid 130 and name HD2 )) (( segid "RN15" and resid 128 and name HA )) ASSI { 1072} (( segid "RN15" and resid 130 and name HD1 )) (( segid "RN15" and resid 130 and name HB1 )) 3.900 1.900 1.900 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.18917E-02 ppm1 3.624 ppm2 1.786 CV 1 OR { 1072} (( segid "RN15" and resid 130 and name HD2 )) (( segid "RN15" and resid 130 and name HB1 )) ASSI { 1075} (( segid "RN15" and resid 130 and name HD1 )) (( segid "RN15" and resid 130 and name HG2 )) 2.300 0.600 0.600 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.98473E-02 ppm1 3.618 ppm2 1.980 CV 1 OR { 1075} (( segid "RN15" and resid 130 and name HD2 )) (( segid "RN15" and resid 130 and name HG1 )) OR { 1075} (( segid "RN15" and resid 130 and name HD1 )) (( segid "RN15" and resid 130 and name HG1 )) OR { 1075} (( segid "RN15" and resid 130 and name HD2 )) (( segid "RN15" and resid 130 and name HG2 )) ASSI { 1076} (( segid "RN15" and resid 130 and name HD2 )) (( segid "RN15" and resid 134 and name HA )) 2.600 0.800 0.800 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.64053E-02 ppm1 3.617 ppm2 4.712 CV 1 OR { 1076} (( segid "RN15" and resid 130 and name HD1 )) (( segid "RN15" and resid 134 and name HA )) ASSI { 1078} (( segid "RN15" and resid 130 and name HG1 )) (( segid "RN15" and resid 133 and name HG2 )) 3.100 3.100 2.900 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.65464E-02 ppm1 1.968 ppm2 2.299 CV 1 OR { 1078} (( segid "RN15" and resid 130 and name HG1 )) (( segid "RN15" and resid 133 and name HG1 )) OR { 1078} (( segid "RN15" and resid 130 and name HG2 )) (( segid "RN15" and resid 133 and name HG2 )) OR { 1078} (( segid "RN15" and resid 130 and name HG2 )) (( segid "RN15" and resid 133 and name HG1 )) ASSI { 1080} (( segid "RN15" and resid 131 and name HA )) (( segid "RN15" and resid 131 and name HB2 )) 2.900 1.100 1.100 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.40597E-02 ppm1 4.564 ppm2 2.649 CV 1 ASSI { 1081} (( segid "RN15" and resid 131 and name HB1 )) (( segid "RN15" and resid 131 and name HA )) 3.000 1.100 1.100 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.43651E-02 ppm1 2.554 ppm2 4.562 CV 1 ASSI { 1083} (( segid "RN15" and resid 132 and name HA )) (( segid "RN15" and resid 132 and name HB2 )) 2.800 1.000 1.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.47763E-02 ppm1 4.550 ppm2 3.061 CV 1 ASSI { 1084} (( segid "RN15" and resid 132 and name HA )) ( segid "RN15" and resid 132 and name HD% ) 3.400 1.500 1.500 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.22401E-02 ppm1 4.555 ppm2 7.251 CV 1 ASSI { 1085} (( segid "RN15" and resid 132 and name HB1 )) (( segid "RN15" and resid 132 and name HA )) 2.700 0.900 0.900 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.63967E-02 ppm1 3.172 ppm2 4.553 CV 1 ASSI { 1087} (( segid "RN15" and resid 132 and name HB1 )) ( segid "RN15" and resid 132 and name HD% ) 2.400 0.700 0.700 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.10345E-01 ppm1 3.166 ppm2 7.251 CV 1 ASSI { 1088} (( segid "RN15" and resid 132 and name HB2 )) ( segid "RN15" and resid 132 and name HD% ) 2.700 0.900 0.900 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.53861E-02 ppm1 3.036 ppm2 7.249 CV 1 ASSI { 1092} (( segid "RN15" and resid 134 and name HA )) (( segid "RN15" and resid 134 and name HB2 )) 2.200 2.200 3.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.13052E-01 ppm1 4.740 ppm2 2.872 CV 1 ASSI { 1093} (( segid "RN15" and resid 138 and name HA )) (( segid "RN15" and resid 137 and name HA )) 3.100 1.200 1.200 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.52092E-02 ppm1 4.232 ppm2 4.723 CV 1 ASSI { 1095} ( segid "RN15" and resid 138 and name HB% ) (( segid "RN15" and resid 141 and name HG )) 3.100 1.200 1.200 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.37268E-02 ppm1 1.405 ppm2 1.692 CV 1 ASSI { 1096} (( segid "RN15" and resid 140 and name HA )) (( segid "RN15" and resid 140 and name HB1 )) 2.200 0.600 0.600 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.14198E-01 ppm1 4.496 ppm2 3.179 CV 1 OR { 1096} (( segid "RN15" and resid 140 and name HA )) (( segid "RN15" and resid 140 and name HB2 )) ASSI { 1097} (( segid "RN15" and resid 140 and name HA )) ( segid "RN15" and resid 140 and name HD% ) 3.000 1.200 1.200 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.25566E-02 ppm1 4.495 ppm2 7.253 CV 1 ASSI { 1099} (( segid "RN15" and resid 140 and name HB2 )) ( segid "RN15" and resid 140 and name HD% ) 2.200 0.600 0.600 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.92830E-02 ppm1 3.176 ppm2 7.253 CV 1 OR { 1099} (( segid "RN15" and resid 140 and name HB1 )) ( segid "RN15" and resid 140 and name HD% ) ASSI { 1103} ( segid "RN15" and resid 140 and name HE% ) (( segid "RN15" and resid 140 and name HB2 )) 4.400 2.500 1.600 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.90676E-03 ppm1 7.364 ppm2 3.180 CV 1 OR { 1103} ( segid "RN15" and resid 140 and name HE% ) (( segid "RN15" and resid 140 and name HB1 )) ASSI { 1105} (( segid "RN15" and resid 140 and name HZ )) (( segid "RN15" and resid 140 and name HB2 )) 5.200 3.300 0.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.29448E-03 ppm1 7.355 ppm2 3.180 CV 1 OR { 1105} (( segid "RN15" and resid 140 and name HZ )) (( segid "RN15" and resid 140 and name HB1 )) ASSI { 1106} (( segid "RN15" and resid 140 and name HZ )) (( segid "RN15" and resid 145 and name HB1 )) 5.500 3.800 0.500 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.37040E-03 ppm1 7.352 ppm2 3.010 CV 1 ASSI { 1109} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 141 and name HB1 )) 2.100 0.600 0.600 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.87975E-02 ppm1 0.956 ppm2 1.814 CV 1 ASSI { 1110} (( segid "RN15" and resid 141 and name HG )) (( segid "RN15" and resid 141 and name HA )) 2.800 0.900 0.900 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.29679E-02 ppm1 1.712 ppm2 4.155 CV 1 ASSI { 1112} (( segid "RN15" and resid 142 and name HA )) ( segid "RN15" and resid 141 and name HD1%) 4.100 2.100 1.900 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.24792E-02 ppm1 4.266 ppm2 0.972 CV 1 ASSI { 1113} (( segid "RN15" and resid 143 and name HG1 )) (( segid "RN15" and resid 140 and name HA )) 3.500 1.500 1.500 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.16827E-02 ppm1 2.370 ppm2 4.497 CV 1 OR { 1113} (( segid "RN15" and resid 143 and name HG2 )) (( segid "RN15" and resid 140 and name HA )) ASSI { 1114} (( segid "RN15" and resid 144 and name HA )) (( segid "RN15" and resid 144 and name HB2 )) 2.800 1.000 1.000 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.49611E-02 ppm1 3.961 ppm2 1.238 CV 1 ASSI { 1115} (( segid "RN15" and resid 144 and name HB1 )) ( segid "RN15" and resid 140 and name HE% ) 6.000 4.400 0.000 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.30852E-03 ppm1 1.413 ppm2 7.362 CV 1 ASSI { 1116} (( segid "RN15" and resid 144 and name HB1 )) (( segid "RN15" and resid 141 and name HA )) 4.600 2.700 1.400 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.70810E-03 ppm1 1.429 ppm2 4.156 CV 1 ASSI { 1117} (( segid "RN15" and resid 144 and name HB1 )) (( segid "RN15" and resid 144 and name HA )) 2.500 0.800 0.800 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.48348E-02 ppm1 1.426 ppm2 3.954 CV 1 ASSI { 1118} (( segid "RN15" and resid 144 and name HB1 )) (( segid "RN15" and resid 144 and name HB2 )) 1.600 0.300 0.600 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.15279E-01 ppm1 1.424 ppm2 1.240 CV 1 ASSI { 1119} (( segid "RN15" and resid 144 and name HB1 )) (( segid "RN15" and resid 144 and name HD2 )) 3.100 1.200 1.200 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.50291E-02 ppm1 1.433 ppm2 1.503 CV 1 OR { 1119} (( segid "RN15" and resid 144 and name HB1 )) (( segid "RN15" and resid 144 and name HD1 )) ASSI { 1120} (( segid "RN15" and resid 144 and name HB1 )) (( segid "RN15" and resid 144 and name HE2 )) 3.700 1.700 1.700 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.15596E-02 ppm1 1.427 ppm2 2.859 CV 1 OR { 1120} (( segid "RN15" and resid 144 and name HB1 )) (( segid "RN15" and resid 144 and name HE1 )) ASSI { 1121} (( segid "RN15" and resid 144 and name HB1 )) (( segid "RN15" and resid 144 and name HG1 )) 2.900 1.100 1.100 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.29846E-02 ppm1 1.423 ppm2 1.096 CV 1 ASSI { 1122} (( segid "RN15" and resid 144 and name HB1 )) (( segid "RN15" and resid 144 and name HG2 )) 2.800 1.000 1.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.20588E-02 ppm1 1.422 ppm2 0.941 CV 1 ASSI { 1123} (( segid "RN15" and resid 144 and name HB1 )) ( segid "RN15" and resid 145 and name HD% ) 3.500 1.600 1.600 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.15773E-02 ppm1 1.423 ppm2 7.233 CV 1 ASSI { 1127} (( segid "RN15" and resid 144 and name HB2 )) (( segid "RN15" and resid 144 and name HD2 )) 3.000 1.100 1.100 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.32434E-02 ppm1 1.236 ppm2 1.497 CV 1 OR { 1127} (( segid "RN15" and resid 144 and name HB2 )) (( segid "RN15" and resid 144 and name HD1 )) ASSI { 1128} (( segid "RN15" and resid 144 and name HB2 )) (( segid "RN15" and resid 144 and name HE2 )) 3.000 1.100 1.100 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.13268E-02 ppm1 1.243 ppm2 2.861 CV 1 OR { 1128} (( segid "RN15" and resid 144 and name HB2 )) (( segid "RN15" and resid 144 and name HE1 )) ASSI { 1129} (( segid "RN15" and resid 144 and name HB2 )) (( segid "RN15" and resid 144 and name HG1 )) 2.800 1.000 1.000 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.38847E-02 ppm1 1.248 ppm2 1.097 CV 1 ASSI { 1130} (( segid "RN15" and resid 144 and name HB2 )) (( segid "RN15" and resid 144 and name HG2 )) 3.100 1.200 1.200 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.21575E-02 ppm1 1.249 ppm2 0.939 CV 1 ASSI { 1132} (( segid "RN15" and resid 144 and name HD2 )) ( segid "RN15" and resid 140 and name HD% ) 4.100 2.100 1.900 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.15010E-02 ppm1 1.502 ppm2 7.247 CV 1 OR { 1132} (( segid "RN15" and resid 144 and name HD1 )) ( segid "RN15" and resid 140 and name HD% ) ASSI { 1133} (( segid "RN15" and resid 144 and name HD2 )) (( segid "RN15" and resid 144 and name HA )) 3.600 1.600 1.600 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.36912E-02 ppm1 1.495 ppm2 3.953 CV 1 OR { 1133} (( segid "RN15" and resid 144 and name HD1 )) (( segid "RN15" and resid 144 and name HA )) ASSI { 1135} (( segid "RN15" and resid 144 and name HD2 )) (( segid "RN15" and resid 144 and name HE1 )) 1.900 0.500 0.500 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.19382E-01 ppm1 1.501 ppm2 2.859 CV 1 OR { 1135} (( segid "RN15" and resid 144 and name HD1 )) (( segid "RN15" and resid 144 and name HE2 )) OR { 1135} (( segid "RN15" and resid 144 and name HD1 )) (( segid "RN15" and resid 144 and name HE1 )) OR { 1135} (( segid "RN15" and resid 144 and name HD2 )) (( segid "RN15" and resid 144 and name HE2 )) ASSI { 1136} (( segid "RN15" and resid 144 and name HE1 )) ( segid "RN15" and resid 140 and name HD% ) 3.000 1.100 1.100 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.94395E-03 ppm1 2.860 ppm2 7.244 CV 1 OR { 1136} (( segid "RN15" and resid 144 and name HE2 )) ( segid "RN15" and resid 140 and name HD% ) ASSI { 1137} (( segid "RN15" and resid 144 and name HE2 )) ( segid "RN15" and resid 140 and name HE% ) 3.400 1.400 1.400 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.89922E-03 ppm1 2.859 ppm2 7.347 CV 1 OR { 1137} (( segid "RN15" and resid 144 and name HE1 )) ( segid "RN15" and resid 140 and name HE% ) ASSI { 1138} (( segid "RN15" and resid 144 and name HE2 )) (( segid "RN15" and resid 144 and name HA )) 4.000 2.000 2.000 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.31655E-02 ppm1 2.859 ppm2 3.963 CV 1 OR { 1138} (( segid "RN15" and resid 144 and name HE1 )) (( segid "RN15" and resid 144 and name HA )) ASSI { 1142} (( segid "RN15" and resid 144 and name HE2 )) (( segid "RN15" and resid 144 and name HG2 )) 2.900 1.100 1.100 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.36531E-02 ppm1 2.858 ppm2 0.925 CV 1 OR { 1142} (( segid "RN15" and resid 144 and name HE1 )) (( segid "RN15" and resid 144 and name HG2 )) ASSI { 1143} (( segid "RN15" and resid 144 and name HE2 )) (( segid "RN15" and resid 145 and name HZ )) 4.900 3.000 1.100 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.52981E-03 ppm1 2.857 ppm2 7.570 CV 1 OR { 1143} (( segid "RN15" and resid 144 and name HE1 )) (( segid "RN15" and resid 145 and name HZ )) ASSI { 1144} (( segid "RN15" and resid 144 and name HG1 )) (( segid "RN15" and resid 144 and name HE2 )) 2.900 1.100 1.100 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.40917E-02 ppm1 1.070 ppm2 2.860 CV 1 OR { 1144} (( segid "RN15" and resid 144 and name HG1 )) (( segid "RN15" and resid 144 and name HE1 )) ASSI { 1145} (( segid "RN15" and resid 145 and name HA )) (( segid "RN15" and resid 145 and name HB1 )) 2.600 0.800 0.800 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.26448E-02 ppm1 5.031 ppm2 3.004 CV 1 ASSI { 1147} (( segid "RN15" and resid 145 and name HA )) ( segid "RN15" and resid 145 and name HD% ) 2.900 1.000 1.000 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.35581E-02 ppm1 5.024 ppm2 7.230 CV 1 ASSI { 1148} (( segid "RN15" and resid 145 and name HA )) (( segid "RN15" and resid 146 and name HD1 )) 2.400 0.700 0.700 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.49574E-02 ppm1 5.023 ppm2 3.596 CV 1 ASSI { 1149} (( segid "RN15" and resid 145 and name HA )) (( segid "RN15" and resid 146 and name HD2 )) 2.700 0.900 0.900 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.37174E-02 ppm1 5.023 ppm2 3.413 CV 1 ASSI { 1154} ( segid "RN15" and resid 145 and name HD% ) ( segid "RN15" and resid 141 and name HD2%) 3.100 1.200 1.200 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.17489E-02 ppm1 7.230 ppm2 0.968 CV 1 OR { 1154} ( segid "RN15" and resid 145 and name HD% ) ( segid "RN15" and resid 141 and name HD1%) ASSI { 1156} ( segid "RN15" and resid 145 and name HD% ) (( segid "RN15" and resid 144 and name HB2 )) 3.200 1.300 1.300 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.72541E-03 ppm1 7.229 ppm2 1.237 CV 1 ASSI { 1159} ( segid "RN15" and resid 145 and name HD% ) (( segid "RN15" and resid 145 and name HB1 )) 2.500 0.800 0.800 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.27067E-02 ppm1 7.226 ppm2 3.004 CV 1 ASSI { 1160} ( segid "RN15" and resid 145 and name HD% ) (( segid "RN15" and resid 145 and name HB2 )) 2.600 0.800 0.800 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.37896E-02 ppm1 7.223 ppm2 2.847 CV 1 ASSI { 1161} ( segid "RN15" and resid 145 and name HD% ) (( segid "RN15" and resid 146 and name HD1 )) 5.000 3.100 1.000 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.38502E-03 ppm1 7.230 ppm2 3.593 CV 1 ASSI { 1162} ( segid "RN15" and resid 145 and name HD% ) ( segid "RN15" and resid 148 and name HD1%) 3.900 1.900 1.900 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.10720E-02 ppm1 7.230 ppm2 0.735 CV 1 ASSI { 1168} ( segid "RN15" and resid 145 and name HE% ) (( segid "RN15" and resid 144 and name HD1 )) 3.800 1.800 1.800 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.12655E-02 ppm1 7.279 ppm2 1.499 CV 1 OR { 1168} ( segid "RN15" and resid 145 and name HE% ) (( segid "RN15" and resid 144 and name HD2 )) ASSI { 1169} ( segid "RN15" and resid 145 and name HE% ) (( segid "RN15" and resid 145 and name HB1 )) 4.500 2.500 1.500 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.72130E-03 ppm1 7.279 ppm2 3.001 CV 1 ASSI { 1170} ( segid "RN15" and resid 145 and name HE% ) (( segid "RN15" and resid 145 and name HB2 )) 4.200 2.200 1.800 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.10991E-02 ppm1 7.273 ppm2 2.859 CV 1 ASSI { 1175} (( segid "RN15" and resid 145 and name HZ )) (( segid "RN15" and resid 144 and name HD1 )) 3.200 3.200 2.800 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.46346E-03 ppm1 7.570 ppm2 1.494 CV 1 OR { 1175} (( segid "RN15" and resid 145 and name HZ )) (( segid "RN15" and resid 144 and name HD2 )) ASSI { 1177} (( segid "RN15" and resid 145 and name HZ )) ( segid "RN15" and resid 145 and name HD% ) 3.800 1.800 1.800 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.15874E-02 ppm1 7.567 ppm2 7.234 CV 1 ASSI { 1178} (( segid "RN15" and resid 145 and name HZ )) ( segid "RN15" and resid 145 and name HE% ) 2.500 0.800 0.800 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.26271E-02 ppm1 7.567 ppm2 7.263 CV 1 ASSI { 1179} (( segid "RN15" and resid 145 and name HZ )) (( segid "RN15" and resid 194 and name HA )) 4.900 3.000 1.100 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.43729E-03 ppm1 7.568 ppm2 4.563 CV 1 ASSI { 1180} (( segid "RN15" and resid 145 and name HZ )) (( segid "RN15" and resid 194 and name HB1 )) 3.900 1.900 1.900 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.28722E-03 ppm1 7.568 ppm2 2.630 CV 1 ASSI { 1181} (( segid "RN15" and resid 145 and name HZ )) (( segid "RN15" and resid 194 and name HB2 )) 4.200 2.200 1.800 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.52079E-03 ppm1 7.557 ppm2 2.960 CV 1 ASSI { 1183} (( segid "RN15" and resid 146 and name HA )) (( segid "RN15" and resid 146 and name HB1 )) 2.300 0.700 0.700 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.78384E-02 ppm1 4.449 ppm2 2.290 CV 1 ASSI { 1184} (( segid "RN15" and resid 146 and name HA )) (( segid "RN15" and resid 146 and name HB2 )) 2.700 0.900 0.900 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.72421E-02 ppm1 4.453 ppm2 1.957 CV 1 ASSI { 1185} (( segid "RN15" and resid 146 and name HA )) (( segid "RN15" and resid 146 and name HD1 )) 4.600 2.600 1.400 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.54915E-03 ppm1 4.449 ppm2 3.599 CV 1 ASSI { 1189} (( segid "RN15" and resid 146 and name HD1 )) (( segid "RN15" and resid 146 and name HB1 )) 3.900 1.900 1.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.10199E-02 ppm1 3.589 ppm2 2.291 CV 1 ASSI { 1191} (( segid "RN15" and resid 146 and name HD1 )) (( segid "RN15" and resid 146 and name HG1 )) 2.800 1.000 1.000 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.25358E-02 ppm1 3.579 ppm2 1.922 CV 1 OR { 1191} (( segid "RN15" and resid 146 and name HD1 )) (( segid "RN15" and resid 146 and name HG2 )) ASSI { 1194} (( segid "RN15" and resid 146 and name HD2 )) (( segid "RN15" and resid 146 and name HA )) 4.200 2.200 1.800 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.97016E-03 ppm1 3.423 ppm2 4.445 CV 1 ASSI { 1195} (( segid "RN15" and resid 146 and name HD2 )) (( segid "RN15" and resid 146 and name HB1 )) 4.400 2.400 1.600 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.12963E-02 ppm1 3.429 ppm2 2.295 CV 1 ASSI { 1196} (( segid "RN15" and resid 146 and name HD2 )) (( segid "RN15" and resid 146 and name HD1 )) 1.800 0.400 0.400 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.84656E-02 ppm1 3.421 ppm2 3.597 CV 1 ASSI { 1199} (( segid "RN15" and resid 148 and name HA )) (( segid "RN15" and resid 149 and name HD2 )) 2.700 0.900 0.900 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.34582E-02 ppm1 4.265 ppm2 3.382 CV 1 ASSI { 1202} (( segid "RN15" and resid 148 and name HB2 )) ( segid "RN15" and resid 148 and name HD1%) 2.500 0.800 0.800 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.49033E-02 ppm1 1.406 ppm2 0.735 CV 1 ASSI { 1203} ( segid "RN15" and resid 148 and name HD1%) (( segid "RN15" and resid 148 and name HG )) 2.000 0.500 0.500 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.10059E-01 ppm1 0.737 ppm2 1.845 CV 1 ASSI { 1204} ( segid "RN15" and resid 148 and name HD2%) (( segid "RN15" and resid 148 and name HB1 )) 2.500 0.800 0.800 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.48873E-02 ppm1 0.619 ppm2 1.699 CV 1 ASSI { 1206} (( segid "RN15" and resid 149 and name HA )) (( segid "RN15" and resid 149 and name HB1 )) 2.400 0.700 0.700 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.48004E-02 ppm1 4.599 ppm2 1.756 CV 1 ASSI { 1207} (( segid "RN15" and resid 149 and name HA )) (( segid "RN15" and resid 149 and name HB2 )) 2.600 0.800 0.800 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.83474E-02 ppm1 4.600 ppm2 2.355 CV 1 ASSI { 1208} (( segid "RN15" and resid 149 and name HA )) (( segid "RN15" and resid 149 and name HG1 )) 3.600 1.600 1.600 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.29814E-02 ppm1 4.603 ppm2 1.999 CV 1 ASSI { 1209} (( segid "RN15" and resid 149 and name HA )) (( segid "RN15" and resid 149 and name HG2 )) 3.800 1.800 1.800 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.26733E-02 ppm1 4.600 ppm2 2.134 CV 1 ASSI { 1212} (( segid "RN15" and resid 149 and name HD1 )) (( segid "RN15" and resid 149 and name HB1 )) 4.200 2.200 1.800 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.59969E-03 ppm1 3.903 ppm2 1.761 CV 1 ASSI { 1213} (( segid "RN15" and resid 149 and name HD1 )) (( segid "RN15" and resid 149 and name HB2 )) 4.300 2.400 1.700 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.96799E-03 ppm1 3.924 ppm2 2.351 CV 1 ASSI { 1214} (( segid "RN15" and resid 149 and name HD1 )) (( segid "RN15" and resid 149 and name HD2 )) 1.800 0.400 0.400 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.45280E-02 ppm1 3.916 ppm2 3.381 CV 1 ASSI { 1218} (( segid "RN15" and resid 149 and name HD2 )) (( segid "RN15" and resid 149 and name HB2 )) 4.000 2.000 2.000 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.89460E-03 ppm1 3.403 ppm2 2.353 CV 1 ASSI { 1221} (( segid "RN15" and resid 149 and name HG2 )) (( segid "RN15" and resid 149 and name HD1 )) 2.900 1.000 1.000 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.27888E-02 ppm1 2.135 ppm2 3.921 CV 1 ASSI { 1222} (( segid "RN15" and resid 149 and name HG2 )) (( segid "RN15" and resid 149 and name HD2 )) 2.400 0.700 0.700 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.23764E-02 ppm1 2.129 ppm2 3.383 CV 1 ASSI { 1223} (( segid "RN15" and resid 150 and name HA )) (( segid "RN15" and resid 150 and name HB1 )) 2.300 0.700 0.700 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.14710E-01 ppm1 4.258 ppm2 3.967 CV 1 OR { 1223} (( segid "RN15" and resid 150 and name HA )) (( segid "RN15" and resid 150 and name HB2 )) ASSI { 1225} ( segid "RN15" and resid 152 and name HD1%) (( segid "RN15" and resid 152 and name HB )) 2.500 0.800 0.800 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.85513E-02 ppm1 0.690 ppm2 1.987 CV 1 ASSI { 1226} ( segid "RN15" and resid 152 and name HD1%) (( segid "RN15" and resid 152 and name HG11)) 2.200 0.600 0.600 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.11546E-01 ppm1 0.692 ppm2 0.944 CV 1 ASSI { 1227} ( segid "RN15" and resid 152 and name HD1%) (( segid "RN15" and resid 152 and name HG12)) 2.200 0.600 0.600 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.10639E-01 ppm1 0.688 ppm2 0.427 CV 1 ASSI { 1228} ( segid "RN15" and resid 152 and name HD1%) ( segid "RN15" and resid 152 and name HG2%) 2.500 0.800 0.800 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.20001E-01 ppm1 0.693 ppm2 0.839 CV 1 ASSI { 1229} ( segid "RN15" and resid 152 and name HD1%) (( segid "RN15" and resid 154 and name HA )) 3.900 1.900 1.900 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.13907E-02 ppm1 0.691 ppm2 3.927 CV 1 ASSI { 1231} ( segid "RN15" and resid 152 and name HD1%) (( segid "RN15" and resid 164 and name HG1 )) 4.200 2.200 1.800 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.14874E-02 ppm1 0.691 ppm2 2.491 CV 1 ASSI { 1232} ( segid "RN15" and resid 152 and name HD1%) (( segid "RN15" and resid 164 and name HG2 )) 4.800 2.800 1.200 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.13435E-02 ppm1 0.691 ppm2 2.622 CV 1 ASSI { 1233} ( segid "RN15" and resid 152 and name HD1%) (( segid "RN14" and resid 641 and name HA )) 3.500 1.600 1.600 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.15329E-02 ppm1 0.696 ppm2 4.548 CV 1 ASSI { 1234} ( segid "RN15" and resid 152 and name HD1%) (( segid "RN14" and resid 643 and name HA )) 2.700 0.900 0.900 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.26337E-02 ppm1 0.692 ppm2 4.855 CV 1 ASSI { 1235} ( segid "RN15" and resid 152 and name HD1%) (( segid "RN14" and resid 643 and name HB2 )) 3.300 1.400 1.400 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.11242E-01 ppm1 0.691 ppm2 2.077 CV 1 ASSI { 1237} ( segid "RN15" and resid 152 and name HG2%) (( segid "RN14" and resid 641 and name HA )) 2.600 0.900 0.900 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.65721E-02 ppm1 0.834 ppm2 4.550 CV 1 ASSI { 1238} (( segid "RN15" and resid 153 and name HA )) (( segid "RN15" and resid 153 and name HB1 )) 2.700 0.900 0.900 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.34144E-02 ppm1 5.056 ppm2 2.702 CV 1 ASSI { 1239} (( segid "RN15" and resid 153 and name HA )) (( segid "RN15" and resid 153 and name HB2 )) 3.300 1.400 1.400 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.22985E-02 ppm1 5.058 ppm2 2.439 CV 1 ASSI { 1240} (( segid "RN15" and resid 153 and name HA )) ( segid "RN14" and resid 647 and name HD% ) 4.900 3.000 1.100 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.71433E-03 ppm1 5.059 ppm2 7.464 CV 1 ASSI { 1241} (( segid "RN15" and resid 153 and name HA )) ( segid "RN14" and resid 647 and name HE% ) 2.800 1.000 1.000 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.52222E-02 ppm1 5.056 ppm2 7.071 CV 1 ASSI { 1243} (( segid "RN15" and resid 153 and name HB1 )) (( segid "RN15" and resid 153 and name HB2 )) 2.000 0.500 0.500 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.93766E-02 ppm1 2.703 ppm2 2.439 CV 1 ASSI { 1244} (( segid "RN15" and resid 153 and name HB1 )) ( segid "RN14" and resid 647 and name HE% ) 4.800 2.800 1.200 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.92658E-03 ppm1 2.709 ppm2 7.074 CV 1 ASSI { 1247} (( segid "RN15" and resid 154 and name HA )) ( segid "RN15" and resid 154 and name HG1%) 2.700 0.900 0.900 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.39346E-02 ppm1 3.927 ppm2 0.352 CV 1 ASSI { 1249} (( segid "RN15" and resid 154 and name HB )) ( segid "RN14" and resid 647 and name HE% ) 3.500 1.500 1.500 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.10672E-02 ppm1 1.167 ppm2 7.072 CV 1 ASSI { 1253} ( segid "RN15" and resid 154 and name HG1%) (( segid "RN15" and resid 154 and name HB )) 2.200 0.600 0.600 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.80823E-02 ppm1 0.354 ppm2 1.172 CV 1 ASSI { 1254} ( segid "RN15" and resid 154 and name HG1%) (( segid "RN15" and resid 156 and name HA )) 3.000 1.100 1.100 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.31953E-02 ppm1 0.353 ppm2 4.604 CV 1 ASSI { 1255} ( segid "RN15" and resid 154 and name HG1%) (( segid "RN15" and resid 156 and name HG11)) 4.300 2.300 1.700 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.17111E-02 ppm1 0.354 ppm2 1.439 CV 1 OR { 1255} ( segid "RN15" and resid 154 and name HG1%) (( segid "RN15" and resid 156 and name HG12)) ASSI { 1256} ( segid "RN15" and resid 154 and name HG1%) ( segid "RN15" and resid 156 and name HG2%) 2.000 0.500 0.500 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.13526E-01 ppm1 0.354 ppm2 1.025 CV 1 ASSI { 1257} ( segid "RN15" and resid 154 and name HG1%) (( segid "RN15" and resid 161 and name HD1 )) 3.900 1.900 1.900 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.16501E-02 ppm1 0.353 ppm2 3.993 CV 1 ASSI { 1258} ( segid "RN15" and resid 154 and name HG1%) (( segid "RN15" and resid 164 and name HG1 )) 3.000 1.100 1.100 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.16431E-02 ppm1 0.355 ppm2 2.498 CV 1 ASSI { 1259} ( segid "RN15" and resid 154 and name HG1%) (( segid "RN15" and resid 164 and name HG2 )) 3.800 1.800 1.800 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.27512E-02 ppm1 0.352 ppm2 2.620 CV 1 ASSI { 1260} ( segid "RN15" and resid 154 and name HG1%) (( segid "RN14" and resid 643 and name HB2 )) 4.300 2.400 1.700 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.24779E-02 ppm1 0.348 ppm2 2.078 CV 1 ASSI { 1261} ( segid "RN15" and resid 154 and name HG1%) (( segid "RN14" and resid 643 and name HD1 )) 3.200 1.300 1.300 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.83394E-02 ppm1 0.352 ppm2 3.926 CV 1 ASSI { 1262} ( segid "RN15" and resid 154 and name HG1%) ( segid "RN14" and resid 647 and name HD% ) 5.000 3.100 1.000 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.51722E-03 ppm1 0.352 ppm2 7.472 CV 1 ASSI { 1263} ( segid "RN15" and resid 154 and name HG1%) ( segid "RN14" and resid 647 and name HE% ) 5.000 3.100 1.000 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.73832E-03 ppm1 0.349 ppm2 7.071 CV 1 ASSI { 1264} ( segid "RN15" and resid 154 and name HG1%) (( segid "RN15" and resid 161 and name HA )) 2.700 0.900 0.900 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.41107E-02 ppm1 0.355 ppm2 3.900 CV 1 ASSI { 1265} ( segid "RN15" and resid 154 and name HG1%) (( segid "RN15" and resid 161 and name HD2 )) 5.100 3.300 0.900 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.11094E-02 ppm1 0.355 ppm2 3.698 CV 1 ASSI { 1268} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN15" and resid 161 and name HB1 )) 3.800 1.800 1.800 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.15313E-02 ppm1 0.184 ppm2 1.543 CV 1 ASSI { 1271} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN15" and resid 153 and name HA )) 3.500 1.600 1.600 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.11411E-02 ppm1 0.186 ppm2 5.058 CV 1 ASSI { 1272} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN15" and resid 154 and name HA )) 2.400 0.700 0.700 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.67435E-02 ppm1 0.187 ppm2 3.924 CV 1 ASSI { 1273} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN15" and resid 154 and name HB )) 2.300 0.700 0.700 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.57576E-02 ppm1 0.186 ppm2 1.170 CV 1 ASSI { 1275} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN15" and resid 155 and name HA )) 4.400 2.400 1.600 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.15913E-02 ppm1 0.185 ppm2 4.857 CV 1 ASSI { 1276} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN15" and resid 156 and name HG11)) 4.700 2.700 1.300 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.15560E-02 ppm1 0.184 ppm2 1.442 CV 1 OR { 1276} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN15" and resid 156 and name HG12)) ASSI { 1277} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN15" and resid 161 and name HA )) 3.300 1.300 1.300 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.40600E-02 ppm1 0.186 ppm2 3.891 CV 1 ASSI { 1278} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN15" and resid 164 and name HG1 )) 4.100 2.100 1.900 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.91447E-03 ppm1 0.183 ppm2 2.500 CV 1 ASSI { 1279} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN15" and resid 164 and name HG2 )) 4.500 2.500 1.500 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.22468E-02 ppm1 0.185 ppm2 2.621 CV 1 ASSI { 1280} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN14" and resid 643 and name HB2 )) 3.600 1.600 1.600 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.43417E-02 ppm1 0.186 ppm2 2.076 CV 1 ASSI { 1281} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN14" and resid 643 and name HG1 )) 2.600 0.900 0.900 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.21670E-02 ppm1 0.189 ppm2 2.025 CV 1 ASSI { 1282} ( segid "RN15" and resid 154 and name HG2%) ( segid "RN14" and resid 647 and name HD% ) 3.900 1.900 1.900 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.11317E-02 ppm1 0.187 ppm2 7.468 CV 1 ASSI { 1283} ( segid "RN15" and resid 154 and name HG2%) ( segid "RN14" and resid 647 and name HE% ) 3.300 1.400 1.400 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.16519E-02 ppm1 0.187 ppm2 7.071 CV 1 ASSI { 1284} (( segid "RN15" and resid 155 and name HA )) (( segid "RN15" and resid 155 and name HB1 )) 2.700 0.900 0.900 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.56497E-02 ppm1 4.866 ppm2 2.708 CV 1 ASSI { 1285} (( segid "RN15" and resid 155 and name HA )) (( segid "RN15" and resid 155 and name HB2 )) 2.700 0.900 0.900 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.37888E-02 ppm1 4.865 ppm2 3.059 CV 1 ASSI { 1288} (( segid "RN15" and resid 156 and name HA )) (( segid "RN15" and resid 156 and name HB )) 2.300 0.600 0.600 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.80258E-02 ppm1 4.590 ppm2 2.183 CV 1 ASSI { 1289} (( segid "RN15" and resid 156 and name HA )) ( segid "RN15" and resid 156 and name HG2%) 2.300 0.700 0.700 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.76979E-02 ppm1 4.601 ppm2 1.032 CV 1 ASSI { 1291} (( segid "RN15" and resid 156 and name HB )) (( segid "RN15" and resid 156 and name HG12)) 2.400 0.700 0.700 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.66618E-02 ppm1 2.188 ppm2 1.431 CV 1 OR { 1291} (( segid "RN15" and resid 156 and name HB )) (( segid "RN15" and resid 156 and name HG11)) ASSI { 1292} (( segid "RN15" and resid 156 and name HB )) ( segid "RN15" and resid 156 and name HG2%) 2.100 0.500 0.500 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.12013E-01 ppm1 2.185 ppm2 1.033 CV 1 ASSI { 1293} ( segid "RN15" and resid 156 and name HD1%) (( segid "RN15" and resid 156 and name HB )) 2.500 0.800 0.800 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.83285E-02 ppm1 0.956 ppm2 2.187 CV 1 ASSI { 1295} ( segid "RN15" and resid 156 and name HD1%) ( segid "RN14" and resid 647 and name HD% ) 3.600 1.600 1.600 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.70319E-03 ppm1 0.959 ppm2 7.471 CV 1 ASSI { 1296} ( segid "RN15" and resid 218 and name HG2%) (( segid "RN14" and resid 669 and name HD1 )) 4.200 2.200 1.800 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.12257E-02 ppm1 1.042 ppm2 3.539 CV 1 ASSI { 1299} ( segid "RN15" and resid 156 and name HG2%) (( segid "RN15" and resid 160 and name HA )) 3.200 1.300 1.300 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.35022E-02 ppm1 1.037 ppm2 4.935 CV 1 ASSI { 1300} ( segid "RN15" and resid 156 and name HG2%) (( segid "RN15" and resid 161 and name HD2 )) 4.300 2.300 1.700 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.13475E-02 ppm1 1.036 ppm2 3.699 CV 1 ASSI { 1301} ( segid "RN15" and resid 156 and name HG2%) ( segid "RN14" and resid 647 and name HD% ) 3.300 1.400 1.400 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.16768E-02 ppm1 1.035 ppm2 7.466 CV 1 ASSI { 1302} ( segid "RN15" and resid 156 and name HG2%) ( segid "RN14" and resid 647 and name HE% ) 3.300 1.400 1.400 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.29776E-02 ppm1 1.035 ppm2 7.071 CV 1 ASSI { 1303} (( segid "RN15" and resid 157 and name HA )) (( segid "RN15" and resid 157 and name HB1 )) 2.300 0.700 0.700 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.13495E-01 ppm1 4.666 ppm2 2.821 CV 1 OR { 1303} (( segid "RN15" and resid 157 and name HA )) (( segid "RN15" and resid 157 and name HB2 )) ASSI { 1304} (( segid "RN15" and resid 158 and name HA )) (( segid "RN15" and resid 158 and name HB1 )) 2.800 1.000 1.000 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.51189E-02 ppm1 4.617 ppm2 1.940 CV 1 ASSI { 1305} (( segid "RN15" and resid 158 and name HA )) (( segid "RN15" and resid 158 and name HB2 )) 2.600 0.800 0.800 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.73215E-02 ppm1 4.618 ppm2 2.101 CV 1 ASSI { 1306} (( segid "RN15" and resid 158 and name HA )) (( segid "RN15" and resid 158 and name HG1 )) 3.100 1.200 1.200 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.41369E-02 ppm1 4.617 ppm2 2.389 CV 1 ASSI { 1309} (( segid "RN15" and resid 158 and name HG1 )) (( segid "RN15" and resid 158 and name HB2 )) 2.500 0.800 0.800 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.68931E-02 ppm1 2.381 ppm2 2.095 CV 1 ASSI { 1310} (( segid "RN15" and resid 159 and name HA )) (( segid "RN15" and resid 159 and name HB )) 2.400 0.700 0.700 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.92881E-02 ppm1 4.634 ppm2 3.998 CV 1 ASSI { 1312} (( segid "RN15" and resid 159 and name HA )) ( segid "RN15" and resid 160 and name HG2%) 4.100 2.100 1.900 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.12100E-02 ppm1 4.622 ppm2 1.277 CV 1 ASSI { 1313} (( segid "RN15" and resid 159 and name HB )) ( segid "RN15" and resid 156 and name HG2%) 3.100 3.100 2.900 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.14217E-01 ppm1 3.998 ppm2 1.020 CV 1 ASSI { 1315} ( segid "RN15" and resid 159 and name HG2%) (( segid "RN15" and resid 159 and name HA )) 3.300 1.400 1.400 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.50454E-02 ppm1 1.021 ppm2 4.631 CV 1 ASSI { 1316} ( segid "RN15" and resid 159 and name HG2%) (( segid "RN15" and resid 159 and name HB )) 2.200 0.600 0.600 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.17293E-01 ppm1 1.022 ppm2 3.998 CV 1 ASSI { 1320} (( segid "RN15" and resid 160 and name HA )) ( segid "RN15" and resid 154 and name HG1%) 4.800 2.900 1.200 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.65264E-03 ppm1 4.940 ppm2 0.351 CV 1 ASSI { 1322} (( segid "RN15" and resid 160 and name HA )) (( segid "RN15" and resid 160 and name HB )) 2.400 0.700 0.700 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.53340E-02 ppm1 4.941 ppm2 4.595 CV 1 ASSI { 1324} (( segid "RN15" and resid 160 and name HA )) (( segid "RN15" and resid 161 and name HD1 )) 2.400 0.700 0.700 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.32927E-02 ppm1 4.945 ppm2 3.976 CV 1 ASSI { 1325} (( segid "RN15" and resid 160 and name HA )) (( segid "RN15" and resid 161 and name HD2 )) 2.600 0.900 0.900 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.41449E-02 ppm1 4.937 ppm2 3.696 CV 1 ASSI { 1328} (( segid "RN15" and resid 160 and name HB )) (( segid "RN15" and resid 161 and name HD1 )) 3.600 1.600 1.600 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.34885E-02 ppm1 4.592 ppm2 3.980 CV 1 ASSI { 1329} (( segid "RN15" and resid 160 and name HB )) (( segid "RN15" and resid 161 and name HD2 )) 3.100 1.200 1.200 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.27110E-02 ppm1 4.594 ppm2 3.695 CV 1 ASSI { 1330} ( segid "RN15" and resid 160 and name HG2%) (( segid "RN15" and resid 160 and name HA )) 2.700 0.900 0.900 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.12423E-01 ppm1 1.281 ppm2 4.937 CV 1 ASSI { 1331} ( segid "RN15" and resid 160 and name HG2%) (( segid "RN15" and resid 160 and name HB )) 2.200 0.600 0.600 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.15396E-01 ppm1 1.283 ppm2 4.590 CV 1 ASSI { 1332} ( segid "RN15" and resid 160 and name HG2%) (( segid "RN15" and resid 161 and name HD1 )) 4.200 2.200 1.800 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.26179E-02 ppm1 1.283 ppm2 3.976 CV 1 ASSI { 1336} (( segid "RN15" and resid 161 and name HA )) (( segid "RN15" and resid 161 and name HB1 )) 2.600 0.800 0.800 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.19752E-02 ppm1 3.889 ppm2 1.546 CV 1 ASSI { 1337} (( segid "RN15" and resid 161 and name HA )) (( segid "RN15" and resid 161 and name HB2 )) 3.100 1.200 1.200 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.23066E-02 ppm1 3.892 ppm2 1.614 CV 1 ASSI { 1340} (( segid "RN15" and resid 161 and name HB1 )) (( segid "RN15" and resid 161 and name HD1 )) 4.300 2.300 1.700 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.54204E-03 ppm1 1.555 ppm2 3.968 CV 1 ASSI { 1342} (( segid "RN15" and resid 161 and name HB2 )) (( segid "RN15" and resid 161 and name HD1 )) 4.300 2.300 1.700 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.84667E-03 ppm1 1.625 ppm2 3.968 CV 1 ASSI { 1343} (( segid "RN15" and resid 161 and name HB2 )) (( segid "RN15" and resid 161 and name HD2 )) 4.200 2.200 1.800 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.55855E-03 ppm1 1.625 ppm2 3.699 CV 1 ASSI { 1344} (( segid "RN15" and resid 161 and name HD1 )) ( segid "RN15" and resid 156 and name HG2%) 3.000 1.100 1.100 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.68965E-03 ppm1 3.982 ppm2 1.031 CV 1 ASSI { 1348} (( segid "RN15" and resid 161 and name HD1 )) (( segid "RN15" and resid 161 and name HD2 )) 1.900 0.500 0.500 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.38122E-02 ppm1 3.975 ppm2 3.688 CV 1 ASSI { 1349} (( segid "RN15" and resid 161 and name HD1 )) (( segid "RN15" and resid 161 and name HG1 )) 2.400 0.700 0.700 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.22004E-02 ppm1 3.982 ppm2 2.200 CV 1 ASSI { 1354} (( segid "RN15" and resid 161 and name HD2 )) ( segid "RN15" and resid 160 and name HG2%) 4.400 2.400 1.600 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.98547E-03 ppm1 3.700 ppm2 1.286 CV 1 ASSI { 1357} (( segid "RN15" and resid 161 and name HG1 )) ( segid "RN15" and resid 154 and name HG1%) 5.000 3.200 1.000 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.28202E-03 ppm1 2.202 ppm2 0.360 CV 1 ASSI { 1358} (( segid "RN15" and resid 161 and name HG1 )) ( segid "RN15" and resid 154 and name HG2%) 5.000 3.100 1.000 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.50382E-03 ppm1 2.202 ppm2 0.181 CV 1 ASSI { 1360} (( segid "RN15" and resid 161 and name HG1 )) (( segid "RN15" and resid 161 and name HD2 )) 3.400 1.400 1.400 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.13158E-02 ppm1 2.208 ppm2 3.697 CV 1 ASSI { 1361} (( segid "RN15" and resid 161 and name HG1 )) (( segid "RN14" and resid 647 and name HB1 )) 2.700 0.900 0.900 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.79515E-03 ppm1 2.201 ppm2 2.716 CV 1 ASSI { 1362} (( segid "RN15" and resid 161 and name HG1 )) ( segid "RN14" and resid 647 and name HD% ) 4.400 2.400 1.600 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.68903E-03 ppm1 2.199 ppm2 7.468 CV 1 ASSI { 1363} (( segid "RN15" and resid 161 and name HG2 )) ( segid "RN15" and resid 154 and name HG1%) 5.500 3.800 0.500 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.61283E-03 ppm1 1.449 ppm2 0.359 CV 1 ASSI { 1364} (( segid "RN15" and resid 161 and name HG2 )) ( segid "RN15" and resid 154 and name HG2%) 5.600 4.000 0.400 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.69799E-03 ppm1 1.453 ppm2 0.180 CV 1 ASSI { 1365} (( segid "RN15" and resid 161 and name HG2 )) (( segid "RN15" and resid 161 and name HD2 )) 3.000 1.100 1.100 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.80349E-03 ppm1 1.441 ppm2 3.695 CV 1 ASSI { 1366} (( segid "RN15" and resid 161 and name HG2 )) (( segid "RN15" and resid 161 and name HG1 )) 1.900 0.500 0.500 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.31636E-02 ppm1 1.450 ppm2 2.204 CV 1 ASSI { 1367} (( segid "RN15" and resid 161 and name HG2 )) (( segid "RN14" and resid 647 and name HB1 )) 3.900 1.900 1.900 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.52745E-03 ppm1 1.433 ppm2 2.721 CV 1 ASSI { 1368} (( segid "RN15" and resid 161 and name HG2 )) (( segid "RN14" and resid 647 and name HB2 )) 4.800 2.900 1.200 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.52808E-03 ppm1 1.447 ppm2 2.367 CV 1 ASSI { 1370} ( segid "RN15" and resid 162 and name HB% ) (( segid "RN15" and resid 163 and name HG1 )) 4.800 2.900 1.200 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.12012E-02 ppm1 1.430 ppm2 2.649 CV 1 ASSI { 1371} ( segid "RN15" and resid 162 and name HB% ) (( segid "RN15" and resid 163 and name HG2 )) 4.000 2.000 2.000 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.12302E-02 ppm1 1.430 ppm2 2.573 CV 1 ASSI { 1373} (( segid "RN15" and resid 163 and name HA )) (( segid "RN15" and resid 163 and name HB1 )) 2.700 0.900 0.900 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.44016E-02 ppm1 4.261 ppm2 2.199 CV 1 ASSI { 1374} (( segid "RN15" and resid 163 and name HA )) (( segid "RN15" and resid 163 and name HG1 )) 3.500 1.600 1.600 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.23213E-02 ppm1 4.261 ppm2 2.652 CV 1 ASSI { 1376} (( segid "RN15" and resid 163 and name HG2 )) (( segid "RN15" and resid 163 and name HA )) 2.700 0.900 0.900 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.50996E-02 ppm1 2.577 ppm2 4.262 CV 1 ASSI { 1381} (( segid "RN15" and resid 164 and name HG1 )) ( segid "RN15" and resid 159 and name HG2%) 2.700 0.900 0.900 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.45687E-02 ppm1 2.496 ppm2 1.020 CV 1 ASSI { 1382} (( segid "RN15" and resid 164 and name HG1 )) (( segid "RN15" and resid 164 and name HA )) 3.600 1.600 1.600 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.38330E-02 ppm1 2.494 ppm2 4.331 CV 1 ASSI { 1385} (( segid "RN15" and resid 164 and name HG2 )) (( segid "RN15" and resid 159 and name HB )) 2.800 2.800 3.200 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.11300E-02 ppm1 2.607 ppm2 3.989 CV 1 ASSI { 1386} (( segid "RN15" and resid 164 and name HG2 )) ( segid "RN15" and resid 159 and name HG2%) 2.700 0.900 0.900 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.43457E-02 ppm1 2.624 ppm2 1.021 CV 1 ASSI { 1387} (( segid "RN15" and resid 164 and name HG2 )) (( segid "RN15" and resid 164 and name HA )) 2.900 1.000 1.000 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.22640E-02 ppm1 2.624 ppm2 4.327 CV 1 ASSI { 1388} ( segid "RN15" and resid 165 and name HD1%) (( segid "RN15" and resid 207 and name HB2 )) 3.000 1.200 1.200 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.24030E-02 ppm1 0.907 ppm2 2.823 CV 1 ASSI { 1391} ( segid "RN15" and resid 165 and name HD1%) (( segid "RN15" and resid 162 and name HA )) 2.700 0.900 0.900 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.32540E-02 ppm1 0.902 ppm2 3.951 CV 1 ASSI { 1392} ( segid "RN15" and resid 165 and name HD1%) (( segid "RN15" and resid 165 and name HA )) 4.100 2.100 1.900 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.23025E-02 ppm1 0.906 ppm2 3.626 CV 1 ASSI { 1393} ( segid "RN15" and resid 165 and name HD1%) (( segid "RN15" and resid 204 and name HA )) 3.600 1.600 1.600 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.11439E-02 ppm1 0.893 ppm2 3.218 CV 1 ASSI { 1395} ( segid "RN15" and resid 165 and name HD1%) (( segid "RN15" and resid 207 and name HB1 )) 3.200 1.300 1.300 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.21063E-02 ppm1 0.905 ppm2 3.051 CV 1 ASSI { 1396} ( segid "RN15" and resid 165 and name HD1%) ( segid "RN15" and resid 207 and name HD% ) 3.600 1.600 1.600 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.13424E-02 ppm1 0.900 ppm2 7.128 CV 1 ASSI { 1397} ( segid "RN15" and resid 165 and name HD1%) (( segid "RN14" and resid 643 and name HD2 )) 3.600 1.600 1.600 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.13448E-02 ppm1 0.897 ppm2 3.402 CV 1 ASSI { 1398} ( segid "RN15" and resid 165 and name HD1%) ( segid "RN14" and resid 648 and name HD% ) 4.300 2.300 1.700 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.67206E-03 ppm1 0.902 ppm2 7.184 CV 1 ASSI { 1399} ( segid "RN15" and resid 165 and name HD1%) ( segid "RN14" and resid 648 and name HE% ) 3.300 1.300 1.300 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.12712E-02 ppm1 0.900 ppm2 6.885 CV 1 ASSI { 1400} ( segid "RN15" and resid 165 and name HD1%) (( segid "RN14" and resid 648 and name HZ )) 2.800 1.000 1.000 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.27802E-02 ppm1 0.899 ppm2 6.689 CV 1 ASSI { 1401} (( segid "RN15" and resid 165 and name HG11)) (( segid "RN15" and resid 165 and name HA )) 3.100 1.200 1.200 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.16916E-02 ppm1 1.958 ppm2 3.625 CV 1 ASSI { 1403} (( segid "RN15" and resid 165 and name HG12)) (( segid "RN15" and resid 165 and name HA )) 2.700 0.900 0.900 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.17121E-02 ppm1 0.967 ppm2 3.623 CV 1 ASSI { 1404} (( segid "RN15" and resid 165 and name HG12)) (( segid "RN15" and resid 165 and name HB )) 3.400 1.500 1.500 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.10428E-02 ppm1 0.969 ppm2 2.216 CV 1 ASSI { 1405} (( segid "RN15" and resid 165 and name HG12)) (( segid "RN15" and resid 165 and name HG11)) 1.700 0.400 0.500 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.37167E-02 ppm1 0.975 ppm2 1.958 CV 1 ASSI { 1406} (( segid "RN15" and resid 165 and name HG12)) (( segid "RN14" and resid 643 and name HD2 )) 2.600 0.800 0.800 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.52416E-03 ppm1 0.972 ppm2 3.412 CV 1 ASSI { 1407} ( segid "RN15" and resid 165 and name HG2%) (( segid "RN15" and resid 165 and name HA )) 2.400 0.700 0.700 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.48433E-02 ppm1 0.891 ppm2 3.627 CV 1 ASSI { 1408} ( segid "RN15" and resid 165 and name HG2%) (( segid "RN15" and resid 165 and name HB )) 2.100 0.600 0.600 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.82525E-02 ppm1 0.893 ppm2 2.214 CV 1 ASSI { 1409} ( segid "RN15" and resid 165 and name HG2%) ( segid "RN15" and resid 207 and name HD% ) 4.100 2.100 1.900 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.96302E-03 ppm1 0.891 ppm2 7.128 CV 1 ASSI { 1410} ( segid "RN15" and resid 165 and name HG2%) ( segid "RN15" and resid 207 and name HE% ) 4.900 3.000 1.100 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.57273E-03 ppm1 0.886 ppm2 7.428 CV 1 ASSI { 1412} ( segid "RN15" and resid 165 and name HG2%) ( segid "RN14" and resid 648 and name HD% ) 5.600 3.900 0.400 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.31081E-03 ppm1 0.890 ppm2 7.181 CV 1 ASSI { 1413} ( segid "RN15" and resid 165 and name HG2%) (( segid "RN14" and resid 648 and name HZ )) 4.700 2.700 1.300 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.43665E-03 ppm1 0.906 ppm2 6.692 CV 1 ASSI { 1415} (( segid "RN15" and resid 166 and name HB1 )) (( segid "RN15" and resid 211 and name HG1 )) 4.000 2.000 2.000 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.17935E-02 ppm1 3.982 ppm2 2.081 CV 1 OR { 1415} (( segid "RN15" and resid 166 and name HB2 )) (( segid "RN15" and resid 211 and name HG1 )) OR { 1415} (( segid "RN15" and resid 166 and name HB1 )) (( segid "RN15" and resid 211 and name HB1 )) OR { 1415} (( segid "RN15" and resid 166 and name HB2 )) (( segid "RN15" and resid 211 and name HB1 )) OR { 1415} (( segid "RN15" and resid 166 and name HB1 )) (( segid "RN15" and resid 211 and name HG2 )) OR { 1415} (( segid "RN15" and resid 166 and name HB2 )) (( segid "RN15" and resid 211 and name HG2 )) OR { 1415} (( segid "RN15" and resid 166 and name HB2 )) (( segid "RN15" and resid 211 and name HB2 )) ASSI { 1417} (( segid "RN15" and resid 168 and name HA )) (( segid "RN15" and resid 171 and name HE2 )) 2.900 1.100 1.100 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.24546E-02 ppm1 4.092 ppm2 2.877 CV 1 OR { 1417} (( segid "RN15" and resid 168 and name HA )) (( segid "RN15" and resid 171 and name HE1 )) ASSI { 1418} (( segid "RN15" and resid 169 and name HB1 )) (( segid "RN15" and resid 169 and name HA )) 2.600 0.800 0.800 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.17217E-02 ppm1 1.933 ppm2 3.870 CV 1 ASSI { 1419} (( segid "RN15" and resid 169 and name HB1 )) (( segid "RN15" and resid 169 and name HB2 )) 1.700 0.300 0.500 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.50039E-02 ppm1 1.938 ppm2 1.330 CV 1 ASSI { 1420} (( segid "RN15" and resid 169 and name HB2 )) (( segid "RN15" and resid 169 and name HA )) 3.000 1.100 1.100 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.23768E-02 ppm1 1.332 ppm2 3.869 CV 1 ASSI { 1421} (( segid "RN15" and resid 169 and name HB2 )) ( segid "RN15" and resid 169 and name HD1%) 2.600 0.800 0.800 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.23646E-02 ppm1 1.333 ppm2 0.797 CV 1 ASSI { 1423} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 169 and name HB2 )) 3.200 1.300 1.300 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.38098E-02 ppm1 0.619 ppm2 1.335 CV 1 ASSI { 1425} ( segid "RN15" and resid 170 and name HB% ) (( segid "RN15" and resid 167 and name HA )) 2.500 0.800 0.800 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.84776E-02 ppm1 1.490 ppm2 4.206 CV 1 ASSI { 1426} ( segid "RN15" and resid 170 and name HB% ) (( segid "RN15" and resid 170 and name HA )) 2.100 0.500 0.500 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.23539E-01 ppm1 1.495 ppm2 4.133 CV 1 ASSI { 1427} (( segid "RN15" and resid 171 and name HB1 )) (( segid "RN15" and resid 171 and name HA )) 2.600 0.900 0.900 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.52055E-02 ppm1 2.041 ppm2 4.182 CV 1 ASSI { 1428} (( segid "RN15" and resid 171 and name HB2 )) (( segid "RN15" and resid 171 and name HA )) 2.900 1.000 1.000 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.34974E-02 ppm1 1.875 ppm2 4.182 CV 1 ASSI { 1429} (( segid "RN15" and resid 171 and name HD1 )) (( segid "RN15" and resid 168 and name HA )) 3.100 1.200 1.200 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.38297E-02 ppm1 1.714 ppm2 4.092 CV 1 OR { 1429} (( segid "RN15" and resid 171 and name HD2 )) (( segid "RN15" and resid 168 and name HA )) ASSI { 1430} (( segid "RN15" and resid 171 and name HD2 )) (( segid "RN15" and resid 171 and name HA )) 4.000 2.000 2.000 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.31726E-02 ppm1 1.723 ppm2 4.181 CV 1 OR { 1430} (( segid "RN15" and resid 171 and name HD1 )) (( segid "RN15" and resid 171 and name HA )) ASSI { 1431} (( segid "RN15" and resid 171 and name HD1 )) (( segid "RN15" and resid 171 and name HE2 )) 2.500 0.800 0.800 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.67886E-02 ppm1 1.719 ppm2 2.878 CV 1 OR { 1431} (( segid "RN15" and resid 171 and name HD2 )) (( segid "RN15" and resid 171 and name HE1 )) OR { 1431} (( segid "RN15" and resid 171 and name HD2 )) (( segid "RN15" and resid 171 and name HE2 )) OR { 1431} (( segid "RN15" and resid 171 and name HD1 )) (( segid "RN15" and resid 171 and name HE1 )) ASSI { 1432} (( segid "RN15" and resid 171 and name HG1 )) (( segid "RN15" and resid 171 and name HA )) 3.200 1.300 1.300 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.36063E-02 ppm1 1.723 ppm2 4.185 CV 1 ASSI { 1433} (( segid "RN15" and resid 171 and name HG1 )) (( segid "RN15" and resid 171 and name HE1 )) 3.300 1.300 1.300 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.19027E-02 ppm1 1.725 ppm2 2.877 CV 1 OR { 1433} (( segid "RN15" and resid 171 and name HG1 )) (( segid "RN15" and resid 171 and name HE2 )) ASSI { 1434} (( segid "RN15" and resid 171 and name HG2 )) (( segid "RN15" and resid 171 and name HA )) 3.100 1.200 1.200 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.35850E-02 ppm1 1.438 ppm2 4.185 CV 1 ASSI { 1435} (( segid "RN15" and resid 171 and name HG2 )) (( segid "RN15" and resid 171 and name HE1 )) 3.300 1.400 1.400 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.18267E-02 ppm1 1.446 ppm2 2.876 CV 1 OR { 1435} (( segid "RN15" and resid 171 and name HG2 )) (( segid "RN15" and resid 171 and name HE2 )) ASSI { 1436} (( segid "RN15" and resid 172 and name HA )) (( segid "RN15" and resid 172 and name HB2 )) 3.100 1.200 1.200 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.21378E-02 ppm1 4.821 ppm2 1.567 CV 1 ASSI { 1437} (( segid "RN15" and resid 172 and name HA )) (( segid "RN15" and resid 172 and name HD1 )) 3.900 1.900 1.900 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.27599E-02 ppm1 4.822 ppm2 1.598 CV 1 ASSI { 1438} (( segid "RN15" and resid 172 and name HA )) (( segid "RN15" and resid 173 and name HD1 )) 2.200 0.600 0.600 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.67663E-02 ppm1 4.817 ppm2 4.154 CV 1 ASSI { 1439} (( segid "RN15" and resid 172 and name HA )) (( segid "RN15" and resid 173 and name HD2 )) 2.600 0.800 0.800 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.45850E-02 ppm1 4.818 ppm2 3.605 CV 1 ASSI { 1442} (( segid "RN15" and resid 172 and name HD2 )) (( segid "RN15" and resid 172 and name HA )) 4.400 2.400 1.600 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.14809E-02 ppm1 1.486 ppm2 4.822 CV 1 ASSI { 1443} (( segid "RN15" and resid 172 and name HD2 )) (( segid "RN15" and resid 172 and name HD1 )) 1.500 0.300 0.700 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.13738E-01 ppm1 1.476 ppm2 1.603 CV 1 ASSI { 1444} (( segid "RN15" and resid 172 and name HD2 )) (( segid "RN15" and resid 172 and name HE1 )) 2.600 0.800 0.800 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.35968E-02 ppm1 1.474 ppm2 2.784 CV 1 OR { 1444} (( segid "RN15" and resid 172 and name HD2 )) (( segid "RN15" and resid 172 and name HE2 )) ASSI { 1445} (( segid "RN15" and resid 172 and name HG2 )) (( segid "RN15" and resid 172 and name HE2 )) 3.400 1.400 1.400 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.23649E-02 ppm1 1.435 ppm2 2.781 CV 1 OR { 1445} (( segid "RN15" and resid 172 and name HG2 )) (( segid "RN15" and resid 172 and name HE1 )) ASSI { 1446} (( segid "RN15" and resid 173 and name HB1 )) (( segid "RN15" and resid 173 and name HA )) 2.300 0.700 0.700 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.60300E-02 ppm1 2.005 ppm2 4.539 CV 1 ASSI { 1447} (( segid "RN15" and resid 173 and name HB1 )) (( segid "RN15" and resid 173 and name HB2 )) 1.600 0.300 0.600 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.14887E-01 ppm1 2.008 ppm2 2.614 CV 1 ASSI { 1448} (( segid "RN15" and resid 173 and name HB1 )) (( segid "RN15" and resid 173 and name HD2 )) 4.300 2.300 1.700 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.15569E-02 ppm1 2.013 ppm2 3.606 CV 1 ASSI { 1450} (( segid "RN15" and resid 173 and name HD1 )) (( segid "RN15" and resid 173 and name HD2 )) 1.900 0.500 0.500 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.58313E-02 ppm1 4.154 ppm2 3.606 CV 1 ASSI { 1451} (( segid "RN15" and resid 173 and name HD1 )) (( segid "RN15" and resid 173 and name HG1 )) 2.600 0.800 0.800 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.28844E-02 ppm1 4.154 ppm2 2.188 CV 1 ASSI { 1452} (( segid "RN15" and resid 173 and name HD1 )) (( segid "RN15" and resid 173 and name HG2 )) 3.200 1.300 1.300 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.25305E-02 ppm1 4.159 ppm2 2.123 CV 1 ASSI { 1455} (( segid "RN15" and resid 173 and name HD2 )) (( segid "RN15" and resid 173 and name HG1 )) 3.300 1.400 1.400 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.23470E-02 ppm1 3.601 ppm2 2.186 CV 1 ASSI { 1456} (( segid "RN15" and resid 173 and name HD2 )) (( segid "RN15" and resid 173 and name HG2 )) 2.600 0.800 0.800 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.26488E-02 ppm1 3.604 ppm2 2.120 CV 1 ASSI { 1457} (( segid "RN15" and resid 173 and name HG2 )) (( segid "RN15" and resid 173 and name HD2 )) 2.600 0.800 0.800 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.42837E-02 ppm1 2.161 ppm2 3.609 CV 1 OR { 1457} (( segid "RN15" and resid 173 and name HG1 )) (( segid "RN15" and resid 173 and name HD2 )) ASSI { 1459} (( segid "RN15" and resid 174 and name HG2 )) (( segid "RN15" and resid 174 and name HE2 )) 2.900 1.000 1.000 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.35586E-02 ppm1 1.433 ppm2 3.054 CV 1 OR { 1459} (( segid "RN15" and resid 174 and name HG2 )) (( segid "RN15" and resid 174 and name HE1 )) ASSI { 1461} (( segid "RN15" and resid 175 and name HB1 )) (( segid "RN15" and resid 175 and name HG2 )) 2.200 0.600 0.600 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.17945E-01 ppm1 2.091 ppm2 2.374 CV 1 OR { 1461} (( segid "RN15" and resid 175 and name HB2 )) (( segid "RN15" and resid 175 and name HG1 )) OR { 1461} (( segid "RN15" and resid 175 and name HB2 )) (( segid "RN15" and resid 175 and name HG2 )) OR { 1461} (( segid "RN15" and resid 175 and name HB1 )) (( segid "RN15" and resid 175 and name HG1 )) ASSI { 1463} (( segid "RN15" and resid 175 and name HG1 )) (( segid "RN15" and resid 175 and name HA )) 2.600 0.800 0.800 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.71798E-02 ppm1 2.369 ppm2 4.005 CV 1 OR { 1463} (( segid "RN15" and resid 175 and name HG2 )) (( segid "RN15" and resid 175 and name HA )) ASSI { 1464} (( segid "RN15" and resid 176 and name HA )) (( segid "RN15" and resid 176 and name HB )) 3.100 1.200 1.200 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.23058E-02 ppm1 3.782 ppm2 2.235 CV 1 ASSI { 1465} (( segid "RN15" and resid 176 and name HA )) ( segid "RN15" and resid 176 and name HG1%) 2.700 0.900 0.900 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.54748E-02 ppm1 3.785 ppm2 1.070 CV 1 ASSI { 1466} (( segid "RN15" and resid 176 and name HA )) (( segid "RN15" and resid 179 and name HB2 )) 2.500 0.800 0.800 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.38823E-02 ppm1 3.780 ppm2 1.988 CV 1 ASSI { 1467} ( segid "RN15" and resid 176 and name HG1%) (( segid "RN15" and resid 176 and name HB )) 2.200 0.600 0.600 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.10968E-01 ppm1 1.070 ppm2 2.235 CV 1 ASSI { 1468} ( segid "RN15" and resid 176 and name HG2%) (( segid "RN15" and resid 173 and name HD2 )) 2.400 0.700 0.700 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.53842E-02 ppm1 1.167 ppm2 3.609 CV 1 ASSI { 1469} ( segid "RN15" and resid 176 and name HG2%) (( segid "RN15" and resid 175 and name HG2 )) 3.400 1.400 1.400 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.45261E-02 ppm1 1.162 ppm2 2.375 CV 1 OR { 1469} ( segid "RN15" and resid 176 and name HG2%) (( segid "RN15" and resid 175 and name HG1 )) ASSI { 1470} ( segid "RN15" and resid 176 and name HG2%) (( segid "RN15" and resid 176 and name HA )) 2.200 0.600 0.600 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.13484E-01 ppm1 1.167 ppm2 3.783 CV 1 ASSI { 1471} ( segid "RN15" and resid 176 and name HG2%) (( segid "RN15" and resid 176 and name HB )) 2.000 0.500 0.500 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.16353E-01 ppm1 1.152 ppm2 2.232 CV 1 ASSI { 1473} (( segid "RN15" and resid 177 and name HA )) (( segid "RN15" and resid 180 and name HB2 )) 4.300 2.300 1.700 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.10937E-02 ppm1 3.768 ppm2 3.387 CV 1 ASSI { 1474} (( segid "RN15" and resid 178 and name HA )) (( segid "RN15" and resid 178 and name HB2 )) 2.900 1.100 1.100 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.37379E-02 ppm1 4.053 ppm2 1.470 CV 1 ASSI { 1476} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN15" and resid 216 and name HB1 )) 3.100 1.200 1.200 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.21244E-02 ppm1 0.841 ppm2 2.684 CV 1 ASSI { 1479} (( segid "RN15" and resid 179 and name HA )) (( segid "RN15" and resid 179 and name HE2 )) 4.400 2.500 1.600 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.90111E-03 ppm1 4.175 ppm2 3.010 CV 1 OR { 1479} (( segid "RN15" and resid 179 and name HA )) (( segid "RN15" and resid 179 and name HE1 )) ASSI { 1480} (( segid "RN15" and resid 179 and name HB1 )) (( segid "RN15" and resid 179 and name HA )) 2.300 0.700 0.700 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.86272E-02 ppm1 2.031 ppm2 4.165 CV 1 ASSI { 1481} (( segid "RN15" and resid 179 and name HB1 )) (( segid "RN15" and resid 179 and name HE1 )) 4.200 2.200 1.800 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.22228E-02 ppm1 2.019 ppm2 3.008 CV 1 OR { 1481} (( segid "RN15" and resid 179 and name HB1 )) (( segid "RN15" and resid 179 and name HE2 )) ASSI { 1482} (( segid "RN15" and resid 179 and name HD1 )) (( segid "RN15" and resid 179 and name HA )) 2.500 0.800 0.800 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.64293E-02 ppm1 1.792 ppm2 4.168 CV 1 OR { 1482} (( segid "RN15" and resid 179 and name HD2 )) (( segid "RN15" and resid 179 and name HA )) ASSI { 1483} (( segid "RN15" and resid 179 and name HD1 )) (( segid "RN15" and resid 179 and name HE2 )) 2.100 0.600 0.600 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.15655E-01 ppm1 1.797 ppm2 3.013 CV 1 OR { 1483} (( segid "RN15" and resid 179 and name HD2 )) (( segid "RN15" and resid 179 and name HE1 )) OR { 1483} (( segid "RN15" and resid 179 and name HD2 )) (( segid "RN15" and resid 179 and name HE2 )) OR { 1483} (( segid "RN15" and resid 179 and name HD1 )) (( segid "RN15" and resid 179 and name HE1 )) ASSI { 1484} (( segid "RN15" and resid 179 and name HE1 )) ( segid "RN14" and resid 671 and name HG2%) 2.400 2.400 3.600 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.25875E-02 ppm1 3.015 ppm2 0.968 CV 1 OR { 1484} (( segid "RN15" and resid 179 and name HE2 )) ( segid "RN14" and resid 671 and name HG2%) OR { 1484} (( segid "RN15" and resid 179 and name HE1 )) ( segid "RN14" and resid 671 and name HG1%) OR { 1484} (( segid "RN15" and resid 179 and name HE2 )) ( segid "RN14" and resid 671 and name HG1%) ASSI { 1485} (( segid "RN15" and resid 179 and name HG1 )) (( segid "RN15" and resid 179 and name HB1 )) 2.300 0.600 0.600 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.84536E-02 ppm1 1.632 ppm2 2.039 CV 1 ASSI { 1486} (( segid "RN15" and resid 179 and name HG1 )) (( segid "RN15" and resid 179 and name HB2 )) 2.400 0.700 0.700 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.92213E-02 ppm1 1.627 ppm2 1.988 CV 1 ASSI { 1487} (( segid "RN15" and resid 180 and name HA )) (( segid "RN15" and resid 180 and name HB1 )) 3.000 1.100 1.100 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.40055E-02 ppm1 3.889 ppm2 3.185 CV 1 ASSI { 1488} (( segid "RN15" and resid 180 and name HA )) (( segid "RN15" and resid 180 and name HB2 )) 2.600 0.800 0.800 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.28610E-02 ppm1 3.890 ppm2 3.392 CV 1 ASSI { 1490} (( segid "RN15" and resid 180 and name HA )) (( segid "RN15" and resid 183 and name HB2 )) 3.900 1.900 1.900 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.84399E-03 ppm1 3.893 ppm2 1.688 CV 1 ASSI { 1492} (( segid "RN15" and resid 180 and name HB1 )) (( segid "RN15" and resid 177 and name HA )) 2.900 1.000 1.000 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.91602E-03 ppm1 3.196 ppm2 3.781 CV 1 ASSI { 1494} (( segid "RN15" and resid 180 and name HB1 )) (( segid "RN15" and resid 180 and name HB2 )) 1.800 0.400 0.400 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.60449E-02 ppm1 3.188 ppm2 3.389 CV 1 ASSI { 1506} ( segid "RN15" and resid 180 and name HD% ) (( segid "RN15" and resid 180 and name HA )) 3.000 1.100 1.100 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.25217E-02 ppm1 6.979 ppm2 3.877 CV 1 ASSI { 1507} ( segid "RN15" and resid 180 and name HD% ) (( segid "RN15" and resid 180 and name HB1 )) 2.400 0.700 0.700 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.32655E-02 ppm1 6.986 ppm2 3.187 CV 1 ASSI { 1508} ( segid "RN15" and resid 180 and name HD% ) (( segid "RN15" and resid 180 and name HB2 )) 2.600 0.800 0.800 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.27528E-02 ppm1 6.980 ppm2 3.389 CV 1 ASSI { 1511} ( segid "RN15" and resid 180 and name HD% ) (( segid "RN14" and resid 635 and name HA )) 2.500 0.800 0.800 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.17688E-02 ppm1 6.979 ppm2 3.691 CV 1 ASSI { 1515} ( segid "RN15" and resid 180 and name HD% ) (( segid "RN14" and resid 634 and name HA )) 4.400 2.400 1.600 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.51195E-03 ppm1 6.975 ppm2 4.068 CV 1 ASSI { 1522} ( segid "RN15" and resid 180 and name HE% ) (( segid "RN15" and resid 180 and name HB1 )) 4.800 2.900 1.200 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.51969E-03 ppm1 6.863 ppm2 3.183 CV 1 ASSI { 1523} ( segid "RN15" and resid 180 and name HE% ) (( segid "RN15" and resid 180 and name HB2 )) 5.100 3.200 0.900 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.40478E-03 ppm1 6.863 ppm2 3.387 CV 1 ASSI { 1524} ( segid "RN15" and resid 180 and name HE% ) ( segid "RN15" and resid 180 and name HD% ) 1.900 0.400 0.400 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.11613E-01 ppm1 6.862 ppm2 6.980 CV 1 ASSI { 1525} ( segid "RN15" and resid 180 and name HE% ) (( segid "RN15" and resid 180 and name HZ )) 2.000 0.500 0.500 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.43886E-02 ppm1 6.855 ppm2 6.494 CV 1 ASSI { 1526} ( segid "RN15" and resid 180 and name HE% ) ( segid "RN15" and resid 181 and name HD1%) 5.200 3.400 0.800 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.55801E-03 ppm1 6.865 ppm2 0.921 CV 1 ASSI { 1528} ( segid "RN15" and resid 180 and name HE% ) ( segid "RN15" and resid 205 and name HD1%) 2.700 0.900 0.900 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.34921E-02 ppm1 6.857 ppm2 0.624 CV 1 OR { 1528} ( segid "RN15" and resid 180 and name HE% ) ( segid "RN15" and resid 205 and name HD2%) ASSI { 1531} (( segid "RN15" and resid 180 and name HZ )) ( segid "RN15" and resid 180 and name HD% ) 3.800 1.800 1.800 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.92967E-03 ppm1 6.499 ppm2 6.981 CV 1 ASSI { 1533} (( segid "RN15" and resid 180 and name HZ )) ( segid "RN15" and resid 205 and name HD1%) 2.200 0.600 0.600 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.26532E-02 ppm1 6.497 ppm2 0.625 CV 1 OR { 1533} (( segid "RN15" and resid 180 and name HZ )) ( segid "RN15" and resid 205 and name HD2%) ASSI { 1534} (( segid "RN15" and resid 180 and name HZ )) ( segid "RN15" and resid 208 and name HG1%) 2.600 0.900 0.900 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.16463E-02 ppm1 6.497 ppm2 0.675 CV 1 ASSI { 1535} (( segid "RN15" and resid 180 and name HZ )) (( segid "RN14" and resid 635 and name HA )) 4.500 2.500 1.500 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.76825E-03 ppm1 6.500 ppm2 3.687 CV 1 ASSI { 1536} (( segid "RN15" and resid 180 and name HZ )) (( segid "RN14" and resid 638 and name HB1 )) 5.100 3.200 0.900 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.32369E-03 ppm1 6.509 ppm2 1.509 CV 1 OR { 1536} (( segid "RN15" and resid 180 and name HZ )) (( segid "RN14" and resid 638 and name HB2 )) ASSI { 1541} (( segid "RN15" and resid 182 and name HA )) (( segid "RN15" and resid 182 and name HB2 )) 2.800 0.900 0.900 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.44801E-02 ppm1 3.844 ppm2 2.277 CV 1 ASSI { 1543} (( segid "RN15" and resid 182 and name HA )) ( segid "RN14" and resid 668 and name HD1%) 4.000 2.000 2.000 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.25453E-02 ppm1 3.845 ppm2 0.645 CV 1 ASSI { 1544} (( segid "RN15" and resid 182 and name HB1 )) (( segid "RN15" and resid 182 and name HG1 )) 2.500 0.800 0.800 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.60575E-02 ppm1 2.244 ppm2 2.586 CV 1 OR { 1544} (( segid "RN15" and resid 182 and name HB2 )) (( segid "RN15" and resid 182 and name HG1 )) ASSI { 1545} (( segid "RN15" and resid 182 and name HB1 )) (( segid "RN15" and resid 182 and name HA )) 2.400 0.700 0.700 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.71067E-02 ppm1 2.239 ppm2 3.845 CV 1 ASSI { 1546} (( segid "RN15" and resid 182 and name HG1 )) (( segid "RN15" and resid 182 and name HB2 )) 2.300 0.600 0.600 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.91699E-02 ppm1 2.575 ppm2 2.276 CV 1 ASSI { 1549} (( segid "RN15" and resid 183 and name HA )) (( segid "RN15" and resid 183 and name HE2 )) 5.700 4.100 0.300 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.41090E-03 ppm1 4.177 ppm2 2.993 CV 1 OR { 1549} (( segid "RN15" and resid 183 and name HA )) (( segid "RN15" and resid 183 and name HE1 )) ASSI { 1550} (( segid "RN15" and resid 183 and name HE2 )) (( segid "RN15" and resid 183 and name HB1 )) 2.900 1.000 1.000 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.60203E-02 ppm1 3.013 ppm2 1.937 CV 1 OR { 1550} (( segid "RN15" and resid 183 and name HE1 )) (( segid "RN15" and resid 183 and name HB1 )) ASSI { 1551} (( segid "RN15" and resid 183 and name HE1 )) ( segid "RN14" and resid 633 and name HG2%) 3.700 3.700 2.300 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.30247E-02 ppm1 2.991 ppm2 1.305 CV 1 OR { 1551} (( segid "RN15" and resid 183 and name HE2 )) ( segid "RN14" and resid 633 and name HG2%) ASSI { 1552} (( segid "RN15" and resid 183 and name HE1 )) (( segid "RN14" and resid 634 and name HG1 )) 3.000 1.200 1.200 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.56438E-02 ppm1 2.998 ppm2 2.426 CV 1 OR { 1552} (( segid "RN15" and resid 183 and name HE1 )) (( segid "RN14" and resid 634 and name HG2 )) OR { 1552} (( segid "RN15" and resid 183 and name HE2 )) (( segid "RN14" and resid 634 and name HG1 )) OR { 1552} (( segid "RN15" and resid 183 and name HE2 )) (( segid "RN14" and resid 634 and name HG2 )) ASSI { 1554} (( segid "RN15" and resid 183 and name HG2 )) (( segid "RN15" and resid 183 and name HE2 )) 2.800 1.000 1.000 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.82360E-02 ppm1 1.589 ppm2 3.009 CV 1 OR { 1554} (( segid "RN15" and resid 183 and name HG2 )) (( segid "RN15" and resid 183 and name HE1 )) ASSI { 1555} (( segid "RN15" and resid 184 and name HA )) (( segid "RN15" and resid 184 and name HB1 )) 3.200 1.300 1.300 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.24057E-02 ppm1 4.573 ppm2 2.522 CV 1 ASSI { 1556} (( segid "RN15" and resid 184 and name HA )) (( segid "RN15" and resid 184 and name HB2 )) 2.800 1.000 1.000 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.18492E-02 ppm1 4.571 ppm2 2.697 CV 1 ASSI { 1557} (( segid "RN15" and resid 184 and name HA )) ( segid "RN15" and resid 184 and name HD% ) 2.700 0.900 0.900 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.29950E-02 ppm1 4.574 ppm2 7.030 CV 1 ASSI { 1558} (( segid "RN15" and resid 184 and name HA )) (( segid "RN14" and resid 632 and name HG2 )) 3.800 1.800 1.800 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.10570E-02 ppm1 4.577 ppm2 1.823 CV 1 ASSI { 1559} (( segid "RN15" and resid 184 and name HA )) ( segid "RN14" and resid 635 and name HG2%) 3.600 1.600 1.600 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.14107E-02 ppm1 4.575 ppm2 0.622 CV 1 OR { 1559} (( segid "RN15" and resid 184 and name HA )) ( segid "RN14" and resid 635 and name HG1%) ASSI { 1562} (( segid "RN15" and resid 184 and name HB1 )) ( segid "RN15" and resid 184 and name HD% ) 3.000 1.100 1.100 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.10556E-02 ppm1 2.524 ppm2 7.026 CV 1 ASSI { 1566} (( segid "RN15" and resid 184 and name HB2 )) (( segid "RN15" and resid 184 and name HB1 )) 1.900 0.400 0.400 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.46291E-02 ppm1 2.686 ppm2 2.523 CV 1 ASSI { 1567} (( segid "RN15" and resid 184 and name HB2 )) ( segid "RN15" and resid 184 and name HD% ) 3.400 1.500 1.500 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.10295E-02 ppm1 2.694 ppm2 7.029 CV 1 ASSI { 1572} ( segid "RN15" and resid 184 and name HD% ) ( segid "RN14" and resid 635 and name HG2%) 2.700 0.900 0.900 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.17911E-02 ppm1 7.026 ppm2 0.616 CV 1 OR { 1572} ( segid "RN15" and resid 184 and name HD% ) ( segid "RN14" and resid 635 and name HG1%) ASSI { 1574} ( segid "RN15" and resid 184 and name HE% ) ( segid "RN14" and resid 635 and name HG1%) 3.200 1.300 1.300 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.18515E-02 ppm1 7.187 ppm2 0.621 CV 1 OR { 1574} ( segid "RN15" and resid 184 and name HE% ) ( segid "RN14" and resid 635 and name HG2%) ASSI { 1576} (( segid "RN15" and resid 184 and name HZ )) ( segid "RN15" and resid 184 and name HE% ) 2.500 0.800 0.800 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.37650E-02 ppm1 6.998 ppm2 7.199 CV 1 ASSI { 1582} (( segid "RN15" and resid 184 and name HZ )) ( segid "RN14" and resid 662 and name HD2%) 4.700 2.700 1.300 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.45304E-03 ppm1 6.995 ppm2 0.797 CV 1 ASSI { 1583} (( segid "RN15" and resid 185 and name HA )) (( segid "RN15" and resid 185 and name HB1 )) 3.100 1.200 1.200 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.23929E-02 ppm1 4.520 ppm2 2.203 CV 1 ASSI { 1584} (( segid "RN15" and resid 185 and name HA )) (( segid "RN15" and resid 185 and name HB2 )) 2.500 0.800 0.800 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.28540E-02 ppm1 4.521 ppm2 1.805 CV 1 ASSI { 1585} (( segid "RN15" and resid 185 and name HA )) (( segid "RN15" and resid 185 and name HG1 )) 2.800 1.000 1.000 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.23618E-02 ppm1 4.521 ppm2 2.131 CV 1 ASSI { 1586} (( segid "RN15" and resid 185 and name HA )) (( segid "RN15" and resid 185 and name HG2 )) 3.100 1.200 1.200 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.18951E-02 ppm1 4.520 ppm2 1.961 CV 1 ASSI { 1592} (( segid "RN15" and resid 186 and name HA )) (( segid "RN15" and resid 186 and name HB1 )) 2.400 0.700 0.700 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.86649E-02 ppm1 3.974 ppm2 2.286 CV 1 OR { 1592} (( segid "RN15" and resid 186 and name HA )) (( segid "RN15" and resid 186 and name HB2 )) ASSI { 1593} (( segid "RN15" and resid 186 and name HA )) (( segid "RN15" and resid 189 and name HB2 )) 2.800 1.000 1.000 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.17512E-02 ppm1 3.993 ppm2 1.749 CV 1 ASSI { 1594} (( segid "RN15" and resid 186 and name HG2 )) (( segid "RN15" and resid 186 and name HA )) 3.000 1.100 1.100 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.45375E-02 ppm1 2.499 ppm2 3.974 CV 1 OR { 1594} (( segid "RN15" and resid 186 and name HG1 )) (( segid "RN15" and resid 186 and name HA )) ASSI { 1595} (( segid "RN15" and resid 187 and name HA )) (( segid "RN15" and resid 187 and name HB1 )) 3.300 1.400 1.400 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.25629E-02 ppm1 4.436 ppm2 3.414 CV 1 ASSI { 1596} (( segid "RN15" and resid 187 and name HA )) (( segid "RN15" and resid 187 and name HD1 )) 3.500 1.600 1.600 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.22320E-02 ppm1 4.440 ppm2 7.399 CV 1 ASSI { 1600} (( segid "RN15" and resid 187 and name HB1 )) (( segid "RN15" and resid 187 and name HB2 )) 2.100 0.600 0.600 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.34789E-02 ppm1 3.414 ppm2 3.730 CV 1 ASSI { 1601} (( segid "RN15" and resid 187 and name HB1 )) (( segid "RN15" and resid 187 and name HD1 )) 3.500 1.600 1.600 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.15605E-02 ppm1 3.418 ppm2 7.398 CV 1 ASSI { 1602} (( segid "RN15" and resid 187 and name HB2 )) (( segid "RN15" and resid 187 and name HA )) 3.100 1.200 1.200 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.13757E-02 ppm1 3.738 ppm2 4.435 CV 1 ASSI { 1604} (( segid "RN15" and resid 187 and name HB2 )) (( segid "RN15" and resid 187 and name HD1 )) 3.200 1.300 1.300 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.13100E-02 ppm1 3.728 ppm2 7.400 CV 1 ASSI { 1610} (( segid "RN15" and resid 187 and name HD1 )) (( segid "RN15" and resid 191 and name HE1 )) 4.600 2.700 1.400 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.76299E-03 ppm1 7.396 ppm2 8.584 CV 1 ASSI { 1615} (( segid "RN15" and resid 187 and name HD1 )) (( segid "RN14" and resid 632 and name HD2 )) 4.800 2.800 1.200 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.32156E-03 ppm1 7.401 ppm2 2.791 CV 1 ASSI { 1616} (( segid "RN15" and resid 187 and name HD1 )) (( segid "RN14" and resid 632 and name HG1 )) 4.900 3.000 1.100 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.43440E-03 ppm1 7.397 ppm2 2.166 CV 1 ASSI { 1617} (( segid "RN15" and resid 187 and name HE3 )) ( segid "RN15" and resid 188 and name HG2%) 2.900 1.000 1.000 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.25151E-02 ppm1 7.421 ppm2 0.617 CV 1 ASSI { 1618} (( segid "RN15" and resid 187 and name HE3 )) (( segid "RN15" and resid 187 and name HB1 )) 3.500 1.500 1.500 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.66321E-03 ppm1 7.424 ppm2 3.414 CV 1 ASSI { 1619} (( segid "RN15" and resid 187 and name HE3 )) (( segid "RN15" and resid 187 and name HB2 )) 3.800 1.800 1.800 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.10929E-02 ppm1 7.424 ppm2 3.730 CV 1 ASSI { 1621} (( segid "RN15" and resid 187 and name HE3 )) (( segid "RN15" and resid 187 and name HZ3 )) 3.200 1.300 1.300 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.89665E-03 ppm1 7.423 ppm2 6.800 CV 1 ASSI { 1622} (( segid "RN15" and resid 187 and name HE3 )) (( segid "RN15" and resid 188 and name HA )) 3.400 1.400 1.400 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.64921E-03 ppm1 7.416 ppm2 3.200 CV 1 ASSI { 1623} (( segid "RN15" and resid 187 and name HE3 )) (( segid "RN15" and resid 188 and name HB )) 4.000 2.000 2.000 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.44420E-03 ppm1 7.423 ppm2 3.812 CV 1 ASSI { 1624} (( segid "RN15" and resid 187 and name HE3 )) (( segid "RN15" and resid 195 and name HA )) 5.300 3.500 0.700 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.45470E-03 ppm1 7.410 ppm2 4.392 CV 1 ASSI { 1625} (( segid "RN15" and resid 187 and name HE3 )) ( segid "RN15" and resid 195 and name HB% ) 4.700 2.800 1.300 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.67846E-03 ppm1 7.424 ppm2 1.394 CV 1 ASSI { 1626} (( segid "RN15" and resid 187 and name HE3 )) ( segid "RN15" and resid 198 and name HD2%) 5.200 3.300 0.800 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.41039E-03 ppm1 7.425 ppm2 0.686 CV 1 ASSI { 1629} (( segid "RN15" and resid 187 and name HH2 )) (( segid "RN15" and resid 187 and name HZ2 )) 2.300 0.600 0.600 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.34087E-02 ppm1 6.933 ppm2 7.532 CV 1 ASSI { 1630} (( segid "RN15" and resid 187 and name HH2 )) (( segid "RN15" and resid 187 and name HZ3 )) 2.600 0.900 0.900 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.17095E-02 ppm1 6.936 ppm2 6.819 CV 1 ASSI { 1631} (( segid "RN15" and resid 187 and name HH2 )) (( segid "RN15" and resid 194 and name HB1 )) 5.000 3.100 1.000 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.41156E-03 ppm1 6.939 ppm2 2.634 CV 1 ASSI { 1632} (( segid "RN15" and resid 187 and name HH2 )) (( segid "RN15" and resid 194 and name HB2 )) 5.000 3.200 1.000 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.49420E-03 ppm1 6.933 ppm2 2.953 CV 1 ASSI { 1633} (( segid "RN15" and resid 187 and name HH2 )) (( segid "RN15" and resid 195 and name HA )) 2.200 0.600 0.600 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.19188E-02 ppm1 6.932 ppm2 4.400 CV 1 ASSI { 1641} (( segid "RN15" and resid 187 and name HZ2 )) (( segid "RN15" and resid 191 and name HB2 )) 5.000 3.100 1.000 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.38010E-03 ppm1 7.530 ppm2 1.828 CV 1 ASSI { 1642} (( segid "RN15" and resid 187 and name HZ2 )) (( segid "RN15" and resid 194 and name HB1 )) 4.300 2.300 1.700 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.79435E-03 ppm1 7.525 ppm2 2.632 CV 1 ASSI { 1644} (( segid "RN15" and resid 187 and name HZ2 )) (( segid "RN15" and resid 195 and name HA )) 3.900 1.900 1.900 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.64790E-03 ppm1 7.519 ppm2 4.398 CV 1 ASSI { 1655} (( segid "RN15" and resid 188 and name HA )) (( segid "RN15" and resid 188 and name HB )) 2.200 0.600 0.600 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.50321E-02 ppm1 3.203 ppm2 3.822 CV 1 ASSI { 1659} (( segid "RN15" and resid 188 and name HB )) ( segid "RN15" and resid 188 and name HG2%) 2.200 0.600 0.600 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.55693E-02 ppm1 3.821 ppm2 0.615 CV 1 ASSI { 1660} (( segid "RN15" and resid 188 and name HB )) ( segid "RN15" and resid 195 and name HB% ) 2.300 0.600 0.600 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.32079E-02 ppm1 3.821 ppm2 1.391 CV 1 ASSI { 1661} ( segid "RN15" and resid 188 and name HG2%) (( segid "RN15" and resid 187 and name HZ3 )) 3.500 1.500 1.500 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.23325E-02 ppm1 0.615 ppm2 6.822 CV 1 ASSI { 1663} (( segid "RN15" and resid 189 and name HA )) (( segid "RN15" and resid 189 and name HB1 )) 2.800 0.900 0.900 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.24701E-02 ppm1 3.776 ppm2 1.607 CV 1 ASSI { 1664} (( segid "RN15" and resid 189 and name HA )) (( segid "RN15" and resid 189 and name HB2 )) 3.400 1.400 1.400 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.18181E-02 ppm1 3.786 ppm2 1.751 CV 1 ASSI { 1665} (( segid "RN15" and resid 189 and name HA )) (( segid "RN15" and resid 189 and name HG1 )) 3.300 1.300 1.300 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.25570E-02 ppm1 3.786 ppm2 1.342 CV 1 ASSI { 1666} (( segid "RN15" and resid 189 and name HD1 )) (( segid "RN15" and resid 186 and name HA )) 4.500 2.500 1.500 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.12758E-02 ppm1 2.971 ppm2 3.973 CV 1 OR { 1666} (( segid "RN15" and resid 189 and name HD2 )) (( segid "RN15" and resid 186 and name HA )) ASSI { 1667} (( segid "RN15" and resid 189 and name HD2 )) (( segid "RN15" and resid 189 and name HA )) 4.400 2.400 1.600 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.11156E-02 ppm1 2.977 ppm2 3.778 CV 1 OR { 1667} (( segid "RN15" and resid 189 and name HD1 )) (( segid "RN15" and resid 189 and name HA )) ASSI { 1668} (( segid "RN15" and resid 189 and name HD2 )) (( segid "RN15" and resid 189 and name HB1 )) 2.800 1.000 1.000 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.25289E-02 ppm1 2.971 ppm2 1.606 CV 1 OR { 1668} (( segid "RN15" and resid 189 and name HD1 )) (( segid "RN15" and resid 189 and name HB1 )) ASSI { 1669} (( segid "RN15" and resid 189 and name HD2 )) (( segid "RN15" and resid 189 and name HB2 )) 3.500 1.500 1.500 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.22480E-02 ppm1 2.967 ppm2 1.743 CV 1 OR { 1669} (( segid "RN15" and resid 189 and name HD1 )) (( segid "RN15" and resid 189 and name HB2 )) ASSI { 1670} (( segid "RN15" and resid 189 and name HD1 )) (( segid "RN15" and resid 189 and name HG1 )) 2.900 1.100 1.100 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.20447E-02 ppm1 2.973 ppm2 1.345 CV 1 OR { 1670} (( segid "RN15" and resid 189 and name HD2 )) (( segid "RN15" and resid 189 and name HG1 )) ASSI { 1671} (( segid "RN15" and resid 189 and name HD1 )) (( segid "RN15" and resid 189 and name HG2 )) 2.600 0.900 0.900 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.25793E-02 ppm1 2.975 ppm2 1.990 CV 1 OR { 1671} (( segid "RN15" and resid 189 and name HD2 )) (( segid "RN15" and resid 189 and name HG2 )) ASSI { 1672} (( segid "RN15" and resid 189 and name HD1 )) (( segid "RN14" and resid 663 and name HA )) 3.600 1.600 1.600 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.76893E-03 ppm1 2.968 ppm2 4.327 CV 1 OR { 1672} (( segid "RN15" and resid 189 and name HD2 )) (( segid "RN14" and resid 663 and name HA )) ASSI { 1673} (( segid "RN15" and resid 189 and name HG1 )) (( segid "RN15" and resid 189 and name HG2 )) 2.000 0.500 0.500 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.23270E-02 ppm1 1.350 ppm2 1.997 CV 1 ASSI { 1675} (( segid "RN15" and resid 190 and name HA )) ( segid "RN15" and resid 190 and name HB% ) 2.200 0.600 0.600 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.17087E-01 ppm1 4.049 ppm2 1.103 CV 1 ASSI { 1676} (( segid "RN15" and resid 190 and name HA )) (( segid "RN15" and resid 192 and name HD2 )) 4.700 2.700 1.300 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.76899E-03 ppm1 4.043 ppm2 3.272 CV 1 ASSI { 1677} ( segid "RN15" and resid 190 and name HB% ) (( segid "RN15" and resid 187 and name HA )) 2.700 0.900 0.900 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.48971E-02 ppm1 1.110 ppm2 4.435 CV 1 ASSI { 1678} ( segid "RN15" and resid 190 and name HB% ) (( segid "RN15" and resid 187 and name HD1 )) 4.400 2.400 1.600 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.89305E-03 ppm1 1.105 ppm2 7.399 CV 1 ASSI { 1680} ( segid "RN15" and resid 190 and name HB% ) (( segid "RN15" and resid 191 and name HD2 )) 3.300 1.400 1.400 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.28003E-02 ppm1 1.103 ppm2 6.655 CV 1 ASSI { 1681} ( segid "RN15" and resid 190 and name HB% ) (( segid "RN15" and resid 191 and name HE1 )) 3.000 1.100 1.100 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.33038E-02 ppm1 1.104 ppm2 8.586 CV 1 ASSI { 1683} (( segid "RN15" and resid 191 and name HA )) (( segid "RN15" and resid 191 and name HB1 )) 2.500 0.800 0.800 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.31141E-02 ppm1 4.839 ppm2 2.855 CV 1 ASSI { 1684} (( segid "RN15" and resid 191 and name HA )) (( segid "RN15" and resid 191 and name HB2 )) 3.200 1.300 1.300 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.20770E-02 ppm1 4.846 ppm2 1.821 CV 1 ASSI { 1685} (( segid "RN15" and resid 191 and name HA )) (( segid "RN15" and resid 192 and name HD1 )) 2.600 0.800 0.800 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.45797E-02 ppm1 4.845 ppm2 3.400 CV 1 ASSI { 1686} (( segid "RN15" and resid 191 and name HA )) (( segid "RN15" and resid 192 and name HD2 )) 2.600 0.900 0.900 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.35360E-02 ppm1 4.846 ppm2 3.272 CV 1 ASSI { 1689} (( segid "RN15" and resid 191 and name HB1 )) (( segid "RN15" and resid 191 and name HB2 )) 1.900 0.500 0.500 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.36626E-02 ppm1 2.853 ppm2 1.825 CV 1 ASSI { 1690} (( segid "RN15" and resid 191 and name HB1 )) (( segid "RN15" and resid 191 and name HD2 )) 4.900 3.000 1.100 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.37384E-03 ppm1 2.849 ppm2 6.661 CV 1 ASSI { 1691} (( segid "RN15" and resid 191 and name HB1 )) (( segid "RN15" and resid 194 and name HB1 )) 4.800 2.900 1.200 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.11761E-02 ppm1 2.853 ppm2 2.635 CV 1 ASSI { 1694} (( segid "RN15" and resid 191 and name HD2 )) (( segid "RN15" and resid 187 and name HA )) 3.900 1.900 1.900 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.90899E-03 ppm1 6.650 ppm2 4.441 CV 1 ASSI { 1695} (( segid "RN15" and resid 191 and name HD2 )) (( segid "RN15" and resid 187 and name HD1 )) 3.900 1.900 1.900 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.99627E-03 ppm1 6.654 ppm2 7.399 CV 1 ASSI { 1699} (( segid "RN15" and resid 191 and name HD2 )) (( segid "RN15" and resid 191 and name HB2 )) 3.400 1.400 1.400 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.64938E-03 ppm1 6.648 ppm2 1.823 CV 1 ASSI { 1700} (( segid "RN15" and resid 192 and name HA )) (( segid "RN15" and resid 188 and name HA )) 4.200 2.200 1.800 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.76311E-03 ppm1 4.299 ppm2 3.200 CV 1 ASSI { 1701} (( segid "RN15" and resid 192 and name HA )) ( segid "RN15" and resid 188 and name HG2%) 5.100 3.300 0.900 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.49000E-03 ppm1 4.296 ppm2 0.614 CV 1 ASSI { 1703} (( segid "RN15" and resid 192 and name HA )) (( segid "RN15" and resid 192 and name HD1 )) 4.200 2.200 1.800 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.66961E-03 ppm1 4.291 ppm2 3.406 CV 1 ASSI { 1704} (( segid "RN15" and resid 192 and name HA )) (( segid "RN15" and resid 192 and name HD2 )) 4.200 2.200 1.800 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.91316E-03 ppm1 4.299 ppm2 3.274 CV 1 ASSI { 1705} (( segid "RN15" and resid 192 and name HA )) (( segid "RN15" and resid 192 and name HG2 )) 4.200 2.200 1.800 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.17847E-02 ppm1 4.291 ppm2 2.002 CV 1 ASSI { 1707} (( segid "RN15" and resid 192 and name HA )) ( segid "RN14" and resid 659 and name HG1%) 2.700 0.900 0.900 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.32310E-02 ppm1 4.291 ppm2 0.918 CV 1 ASSI { 1708} (( segid "RN15" and resid 192 and name HA )) ( segid "RN14" and resid 659 and name HG2%) 4.700 2.700 1.300 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.50500E-03 ppm1 4.285 ppm2 0.996 CV 1 ASSI { 1709} (( segid "RN15" and resid 192 and name HB1 )) (( segid "RN15" and resid 192 and name HD2 )) 3.500 1.600 1.600 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.16956E-02 ppm1 1.926 ppm2 3.271 CV 1 OR { 1709} (( segid "RN15" and resid 192 and name HB2 )) (( segid "RN15" and resid 192 and name HD2 )) ASSI { 1711} (( segid "RN15" and resid 192 and name HD1 )) (( segid "RN15" and resid 192 and name HD2 )) 1.800 0.400 0.400 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.10629E-01 ppm1 3.390 ppm2 3.273 CV 1 ASSI { 1712} (( segid "RN15" and resid 192 and name HD1 )) (( segid "RN15" and resid 192 and name HG1 )) 2.600 0.800 0.800 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.28715E-02 ppm1 3.393 ppm2 1.959 CV 1 ASSI { 1713} (( segid "RN15" and resid 192 and name HD1 )) (( segid "RN15" and resid 192 and name HG2 )) 3.000 1.100 1.100 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.29362E-02 ppm1 3.398 ppm2 2.007 CV 1 ASSI { 1717} (( segid "RN15" and resid 192 and name HD2 )) (( segid "RN15" and resid 192 and name HG1 )) 3.200 1.300 1.300 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.38245E-02 ppm1 3.278 ppm2 1.954 CV 1 ASSI { 1719} (( segid "RN15" and resid 192 and name HG2 )) (( segid "RN15" and resid 192 and name HD2 )) 2.400 0.700 0.700 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.46602E-02 ppm1 1.989 ppm2 3.273 CV 1 ASSI { 1722} (( segid "RN15" and resid 193 and name HB2 )) (( segid "RN15" and resid 193 and name HG1 )) 2.400 0.700 0.700 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.71290E-02 ppm1 1.953 ppm2 2.412 CV 1 ASSI { 1723} (( segid "RN15" and resid 193 and name HG1 )) (( segid "RN15" and resid 193 and name HA )) 3.000 1.100 1.100 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.43032E-02 ppm1 2.421 ppm2 4.196 CV 1 ASSI { 1725} (( segid "RN15" and resid 194 and name HA )) (( segid "RN15" and resid 194 and name HB1 )) 2.700 0.900 0.900 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.20154E-02 ppm1 4.564 ppm2 2.633 CV 1 ASSI { 1726} (( segid "RN15" and resid 194 and name HA )) (( segid "RN15" and resid 194 and name HB2 )) 2.900 1.100 1.100 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.29845E-02 ppm1 4.560 ppm2 2.956 CV 1 ASSI { 1728} (( segid "RN15" and resid 194 and name HB2 )) (( segid "RN15" and resid 187 and name HZ2 )) 4.100 2.100 1.900 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.11466E-02 ppm1 2.961 ppm2 7.537 CV 1 ASSI { 1730} (( segid "RN15" and resid 195 and name HA )) (( segid "RN15" and resid 187 and name HZ3 )) 3.100 1.200 1.200 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.23325E-02 ppm1 4.401 ppm2 6.805 CV 1 ASSI { 1732} ( segid "RN15" and resid 195 and name HB% ) (( segid "RN15" and resid 187 and name HH2 )) 3.700 1.700 1.700 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.12749E-02 ppm1 1.396 ppm2 6.928 CV 1 ASSI { 1733} ( segid "RN15" and resid 195 and name HB% ) (( segid "RN15" and resid 187 and name HZ3 )) 2.700 0.900 0.900 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.21821E-02 ppm1 1.395 ppm2 6.807 CV 1 ASSI { 1734} ( segid "RN15" and resid 195 and name HB% ) (( segid "RN15" and resid 188 and name HA )) 1.900 0.500 0.500 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.76419E-02 ppm1 1.391 ppm2 3.204 CV 1 ASSI { 1736} ( segid "RN15" and resid 195 and name HB% ) ( segid "RN15" and resid 188 and name HG2%) 3.000 1.100 1.100 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.11099E-01 ppm1 1.395 ppm2 0.616 CV 1 ASSI { 1737} ( segid "RN15" and resid 195 and name HB% ) (( segid "RN15" and resid 192 and name HA )) 2.400 0.700 0.700 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.52895E-02 ppm1 1.401 ppm2 4.293 CV 1 ASSI { 1738} ( segid "RN15" and resid 195 and name HB% ) (( segid "RN15" and resid 195 and name HA )) 2.100 0.500 0.500 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.77550E-02 ppm1 1.401 ppm2 4.400 CV 1 ASSI { 1739} ( segid "RN15" and resid 196 and name HB% ) (( segid "RN15" and resid 193 and name HA )) 2.400 0.700 0.700 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.49636E-02 ppm1 1.516 ppm2 4.192 CV 1 ASSI { 1740} ( segid "RN15" and resid 196 and name HB% ) (( segid "RN15" and resid 196 and name HA )) 1.800 0.400 0.400 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.16120E-01 ppm1 1.505 ppm2 3.943 CV 1 ASSI { 1741} ( segid "RN15" and resid 196 and name HB% ) (( segid "RN15" and resid 199 and name HB1 )) 4.400 2.400 1.600 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.27771E-02 ppm1 1.509 ppm2 1.898 CV 1 ASSI { 1742} ( segid "RN15" and resid 196 and name HB% ) (( segid "RN14" and resid 656 and name HB1 )) 3.900 1.900 1.900 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.37752E-02 ppm1 1.507 ppm2 2.174 CV 1 OR { 1742} ( segid "RN15" and resid 196 and name HB% ) (( segid "RN14" and resid 656 and name HB2 )) ASSI { 1743} ( segid "RN15" and resid 196 and name HB% ) (( segid "RN14" and resid 656 and name HG1 )) 3.600 1.600 1.600 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.30672E-02 ppm1 1.508 ppm2 2.434 CV 1 ASSI { 1744} ( segid "RN15" and resid 196 and name HB% ) (( segid "RN14" and resid 656 and name HG2 )) 2.300 0.700 0.700 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.38021E-02 ppm1 1.513 ppm2 2.335 CV 1 ASSI { 1745} (( segid "RN15" and resid 197 and name HA )) (( segid "RN15" and resid 200 and name HB1 )) 3.100 1.200 1.200 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.23150E-02 ppm1 4.375 ppm2 2.136 CV 1 ASSI { 1746} (( segid "RN15" and resid 198 and name HB2 )) (( segid "RN15" and resid 198 and name HB1 )) 1.800 0.400 0.400 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.23749E-02 ppm1 1.502 ppm2 2.235 CV 1 ASSI { 1749} ( segid "RN15" and resid 198 and name HD1%) ( segid "RN15" and resid 145 and name HD% ) 3.000 1.100 1.100 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.18745E-02 ppm1 0.256 ppm2 7.231 CV 1 ASSI { 1750} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 198 and name HA )) 2.100 0.500 0.500 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.69599E-02 ppm1 0.252 ppm2 3.801 CV 1 ASSI { 1751} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 198 and name HB1 )) 3.400 1.400 1.400 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.24169E-02 ppm1 0.254 ppm2 2.240 CV 1 ASSI { 1753} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 198 and name HG )) 2.200 0.600 0.600 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.57002E-02 ppm1 0.255 ppm2 1.303 CV 1 ASSI { 1756} ( segid "RN15" and resid 198 and name HD2%) ( segid "RN15" and resid 145 and name HD% ) 3.700 1.700 1.700 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.16010E-02 ppm1 0.689 ppm2 7.211 CV 1 ASSI { 1760} ( segid "RN15" and resid 198 and name HD2%) (( segid "RN15" and resid 187 and name HZ2 )) 3.000 1.100 1.100 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.78293E-03 ppm1 0.683 ppm2 7.536 CV 1 ASSI { 1762} ( segid "RN15" and resid 198 and name HD2%) (( segid "RN15" and resid 198 and name HB1 )) 2.200 0.600 0.600 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.44811E-02 ppm1 0.691 ppm2 2.242 CV 1 ASSI { 1764} ( segid "RN15" and resid 198 and name HD2%) (( segid "RN15" and resid 198 and name HG )) 2.100 0.600 0.600 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.53424E-02 ppm1 0.689 ppm2 1.302 CV 1 ASSI { 1767} ( segid "RN15" and resid 198 and name HD2%) (( segid "RN15" and resid 198 and name HA )) 3.900 1.900 1.900 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.18563E-02 ppm1 0.692 ppm2 3.792 CV 1 ASSI { 1769} (( segid "RN15" and resid 199 and name HA )) ( segid "RN15" and resid 199 and name HD2%) 2.000 0.500 0.500 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.79955E-02 ppm1 3.990 ppm2 0.915 CV 1 ASSI { 1770} (( segid "RN15" and resid 199 and name HA )) (( segid "RN15" and resid 199 and name HG )) 2.900 1.100 1.100 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.28221E-02 ppm1 3.993 ppm2 2.004 CV 1 ASSI { 1772} ( segid "RN15" and resid 199 and name HD1%) (( segid "RN15" and resid 199 and name HB2 )) 2.100 0.600 0.600 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.98262E-02 ppm1 0.980 ppm2 1.534 CV 1 ASSI { 1773} ( segid "RN15" and resid 199 and name HD1%) (( segid "RN15" and resid 199 and name HG )) 2.100 0.500 0.500 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.99204E-02 ppm1 0.996 ppm2 2.002 CV 1 ASSI { 1776} (( segid "RN15" and resid 200 and name HA )) (( segid "RN15" and resid 200 and name HB1 )) 2.600 0.900 0.900 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.79898E-02 ppm1 4.111 ppm2 2.133 CV 1 ASSI { 1777} (( segid "RN15" and resid 201 and name HA )) (( segid "RN15" and resid 201 and name HB1 )) 2.700 0.900 0.900 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.73358E-02 ppm1 4.262 ppm2 1.930 CV 1 OR { 1777} (( segid "RN15" and resid 201 and name HA )) (( segid "RN15" and resid 201 and name HG )) ASSI { 1778} (( segid "RN15" and resid 201 and name HA )) (( segid "RN15" and resid 201 and name HB2 )) 2.400 0.700 0.700 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.51817E-02 ppm1 4.254 ppm2 1.853 CV 1 ASSI { 1780} (( segid "RN15" and resid 201 and name HB1 )) (( segid "RN15" and resid 201 and name HA )) 2.900 1.100 1.100 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.41680E-02 ppm1 1.917 ppm2 4.265 CV 1 ASSI { 1781} (( segid "RN15" and resid 201 and name HB1 )) ( segid "RN15" and resid 201 and name HD1%) 3.600 1.700 1.700 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.35971E-02 ppm1 1.900 ppm2 1.021 CV 1 ASSI { 1782} ( segid "RN15" and resid 201 and name HD1%) (( segid "RN15" and resid 201 and name HB2 )) 2.500 0.800 0.800 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.79955E-02 ppm1 1.025 ppm2 1.848 CV 1 ASSI { 1783} ( segid "RN15" and resid 201 and name HD2%) (( segid "RN15" and resid 200 and name HB1 )) 1.800 1.800 4.200 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.14912E-01 ppm1 0.992 ppm2 2.126 CV 1 ASSI { 1784} ( segid "RN15" and resid 201 and name HD2%) (( segid "RN15" and resid 201 and name HA )) 3.400 1.400 1.400 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.11444E-01 ppm1 0.990 ppm2 4.269 CV 1 ASSI { 1785} (( segid "RN15" and resid 202 and name HA )) (( segid "RN15" and resid 202 and name HB2 )) 3.300 1.300 1.300 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.22469E-02 ppm1 4.998 ppm2 2.456 CV 1 ASSI { 1786} (( segid "RN15" and resid 202 and name HA )) (( segid "RN15" and resid 203 and name HD1 )) 2.100 0.600 0.600 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.41989E-02 ppm1 4.995 ppm2 3.984 CV 1 ASSI { 1787} (( segid "RN15" and resid 202 and name HA )) (( segid "RN15" and resid 203 and name HG1 )) 4.900 3.000 1.100 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.90419E-03 ppm1 5.004 ppm2 2.205 CV 1 ASSI { 1788} (( segid "RN15" and resid 202 and name HA )) (( segid "RN15" and resid 203 and name HG2 )) 5.100 3.200 0.900 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.10784E-02 ppm1 5.004 ppm2 2.306 CV 1 ASSI { 1790} (( segid "RN15" and resid 202 and name HB1 )) (( segid "RN15" and resid 202 and name HA )) 2.800 1.000 1.000 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.15674E-02 ppm1 2.864 ppm2 4.998 CV 1 ASSI { 1791} (( segid "RN15" and resid 202 and name HB1 )) (( segid "RN15" and resid 202 and name HB2 )) 1.900 0.500 0.500 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.65041E-02 ppm1 2.866 ppm2 2.458 CV 1 ASSI { 1792} (( segid "RN15" and resid 202 and name HB1 )) ( segid "RN15" and resid 205 and name HD2%) 4.800 2.900 1.200 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.65493E-03 ppm1 2.865 ppm2 0.630 CV 1 OR { 1792} (( segid "RN15" and resid 202 and name HB1 )) ( segid "RN15" and resid 205 and name HD1%) ASSI { 1796} (( segid "RN15" and resid 202 and name HB2 )) ( segid "RN15" and resid 205 and name HD2%) 4.400 2.400 1.600 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.50603E-03 ppm1 2.466 ppm2 0.630 CV 1 OR { 1796} (( segid "RN15" and resid 202 and name HB2 )) ( segid "RN15" and resid 205 and name HD1%) ASSI { 1797} (( segid "RN15" and resid 203 and name HA )) (( segid "RN15" and resid 203 and name HB1 )) 2.500 0.800 0.800 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.39782E-02 ppm1 4.560 ppm2 2.623 CV 1 ASSI { 1798} (( segid "RN15" and resid 203 and name HA )) (( segid "RN15" and resid 203 and name HB2 )) 2.800 1.000 1.000 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.44090E-02 ppm1 4.576 ppm2 1.960 CV 1 ASSI { 1799} (( segid "RN15" and resid 203 and name HA )) (( segid "RN15" and resid 203 and name HD2 )) 4.300 2.300 1.700 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.57896E-03 ppm1 4.574 ppm2 3.468 CV 1 ASSI { 1802} (( segid "RN15" and resid 203 and name HA )) (( segid "RN15" and resid 206 and name HB1 )) 4.500 2.600 1.500 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.57256E-03 ppm1 4.582 ppm2 3.756 CV 1 ASSI { 1803} (( segid "RN15" and resid 203 and name HA )) (( segid "RN15" and resid 206 and name HB2 )) 3.700 1.700 1.700 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.76414E-03 ppm1 4.575 ppm2 4.070 CV 1 ASSI { 1805} (( segid "RN15" and resid 203 and name HD1 )) (( segid "RN15" and resid 203 and name HD2 )) 1.800 0.400 0.400 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.42056E-02 ppm1 3.984 ppm2 3.465 CV 1 ASSI { 1807} (( segid "RN15" and resid 203 and name HD2 )) (( segid "RN15" and resid 202 and name HA )) 2.800 1.000 1.000 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.33869E-02 ppm1 3.451 ppm2 5.006 CV 1 ASSI { 1809} (( segid "RN15" and resid 203 and name HD2 )) (( segid "RN15" and resid 203 and name HG2 )) 2.500 0.800 0.800 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.21562E-02 ppm1 3.459 ppm2 2.308 CV 1 ASSI { 1812} (( segid "RN15" and resid 203 and name HG1 )) (( segid "RN15" and resid 203 and name HD1 )) 2.100 0.600 0.600 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.54679E-02 ppm1 2.229 ppm2 3.977 CV 1 ASSI { 1813} (( segid "RN15" and resid 203 and name HG1 )) (( segid "RN15" and resid 203 and name HD2 )) 3.200 1.300 1.300 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.18686E-02 ppm1 2.217 ppm2 3.455 CV 1 ASSI { 1816} (( segid "RN15" and resid 203 and name HG2 )) (( segid "RN15" and resid 203 and name HD1 )) 2.500 0.800 0.800 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.73278E-02 ppm1 2.289 ppm2 3.975 CV 1 ASSI { 1822} (( segid "RN15" and resid 204 and name HA )) (( segid "RN15" and resid 204 and name HG1 )) 4.000 2.000 2.000 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.15571E-02 ppm1 3.222 ppm2 2.820 CV 1 ASSI { 1823} (( segid "RN15" and resid 204 and name HA )) (( segid "RN15" and resid 204 and name HG2 )) 3.700 1.700 1.700 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.96874E-03 ppm1 3.224 ppm2 1.966 CV 1 ASSI { 1824} (( segid "RN15" and resid 204 and name HA )) (( segid "RN15" and resid 207 and name HB1 )) 4.100 2.100 1.900 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.99096E-03 ppm1 3.228 ppm2 3.056 CV 1 ASSI { 1825} (( segid "RN15" and resid 204 and name HA )) ( segid "RN15" and resid 207 and name HD% ) 3.800 1.800 1.800 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.93475E-03 ppm1 3.220 ppm2 7.128 CV 1 ASSI { 1828} (( segid "RN15" and resid 204 and name HA )) ( segid "RN14" and resid 648 and name HD% ) 4.600 2.600 1.400 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.58718E-03 ppm1 3.225 ppm2 7.184 CV 1 ASSI { 1829} (( segid "RN15" and resid 204 and name HA )) (( segid "RN14" and resid 648 and name HZ )) 4.000 2.000 2.000 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.31279E-03 ppm1 3.206 ppm2 6.677 CV 1 ASSI { 1830} (( segid "RN15" and resid 204 and name HB1 )) (( segid "RN15" and resid 204 and name HA )) 2.900 1.000 1.000 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.26649E-02 ppm1 1.898 ppm2 3.238 CV 1 ASSI { 1831} (( segid "RN15" and resid 204 and name HB2 )) (( segid "RN15" and resid 204 and name HA )) 2.500 0.800 0.800 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.21629E-02 ppm1 1.761 ppm2 3.236 CV 1 ASSI { 1832} (( segid "RN15" and resid 204 and name HG1 )) (( segid "RN14" and resid 638 and name HG )) 4.400 2.400 1.600 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.89454E-03 ppm1 2.846 ppm2 1.376 CV 1 ASSI { 1834} (( segid "RN15" and resid 204 and name HG1 )) (( segid "RN15" and resid 204 and name HB1 )) 3.300 1.300 1.300 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.88083E-03 ppm1 2.843 ppm2 1.910 CV 1 ASSI { 1835} (( segid "RN15" and resid 204 and name HG1 )) (( segid "RN15" and resid 204 and name HG2 )) 1.800 0.400 0.400 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.28593E-02 ppm1 2.846 ppm2 1.978 CV 1 ASSI { 1840} (( segid "RN15" and resid 204 and name HG2 )) ( segid "RN14" and resid 642 and name HD1%) 3.400 1.400 1.400 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.76014E-03 ppm1 1.992 ppm2 0.539 CV 1 ASSI { 1843} ( segid "RN15" and resid 205 and name HD2%) ( segid "RN15" and resid 180 and name HE% ) 4.300 2.300 1.700 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.76682E-03 ppm1 0.627 ppm2 6.855 CV 1 ASSI { 1848} (( segid "RN15" and resid 205 and name HG )) ( segid "RN15" and resid 184 and name HD% ) 4.800 2.900 1.200 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.43754E-03 ppm1 1.445 ppm2 7.054 CV 1 ASSI { 1851} (( segid "RN15" and resid 206 and name HB1 )) ( segid "RN14" and resid 658 and name HD2%) 2.800 1.000 1.000 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.26031E-02 ppm1 3.758 ppm2 1.061 CV 1 ASSI { 1852} (( segid "RN15" and resid 206 and name HB1 )) (( segid "RN15" and resid 206 and name HA )) 2.300 0.600 0.600 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.52348E-02 ppm1 3.760 ppm2 4.035 CV 1 ASSI { 1854} (( segid "RN15" and resid 206 and name HB2 )) (( segid "RN15" and resid 206 and name HB1 )) 1.600 0.300 0.600 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.12973E-01 ppm1 4.063 ppm2 3.756 CV 1 ASSI { 1855} (( segid "RN15" and resid 207 and name HA )) (( segid "RN15" and resid 207 and name HB1 )) 2.500 0.800 0.800 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.34632E-02 ppm1 4.114 ppm2 3.053 CV 1 ASSI { 1856} (( segid "RN15" and resid 207 and name HA )) (( segid "RN15" and resid 207 and name HB2 )) 2.800 1.000 1.000 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.30844E-02 ppm1 4.117 ppm2 2.816 CV 1 ASSI { 1857} (( segid "RN15" and resid 207 and name HA )) ( segid "RN15" and resid 207 and name HD% ) 2.700 0.900 0.900 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.19518E-02 ppm1 4.116 ppm2 7.127 CV 1 ASSI { 1859} (( segid "RN15" and resid 207 and name HB1 )) ( segid "RN15" and resid 207 and name HD% ) 3.300 1.400 1.400 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.16071E-02 ppm1 3.055 ppm2 7.125 CV 1 ASSI { 1860} (( segid "RN15" and resid 207 and name HB2 )) ( segid "RN15" and resid 207 and name HD% ) 2.900 1.000 1.000 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.15901E-02 ppm1 2.812 ppm2 7.123 CV 1 OR { 1868} (( segid "RN15" and resid 207 and name HZ )) (( segid "RN15" and resid 227 and name HG )) ASSI { 1871} (( segid "RN15" and resid 207 and name HZ )) ( segid "RN15" and resid 207 and name HE% ) 2.500 0.800 0.800 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.53085E-02 ppm1 7.534 ppm2 7.419 CV 1 ASSI { 1872} (( segid "RN15" and resid 207 and name HZ )) ( segid "RN14" and resid 652 and name HD2%) 5.500 3.800 0.500 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.40343E-03 ppm1 7.517 ppm2 0.962 CV 1 OR { 1872} (( segid "RN15" and resid 207 and name HZ )) ( segid "RN14" and resid 652 and name HD1%) ASSI { 1874} (( segid "RN15" and resid 208 and name HA )) ( segid "RN15" and resid 165 and name HG2%) 2.900 1.000 1.000 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.38122E-02 ppm1 3.503 ppm2 0.889 CV 1 ASSI { 1875} (( segid "RN15" and resid 208 and name HA )) ( segid "RN15" and resid 207 and name HD% ) 4.900 3.000 1.100 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.42252E-03 ppm1 3.518 ppm2 7.126 CV 1 ASSI { 1876} (( segid "RN15" and resid 208 and name HA )) (( segid "RN15" and resid 208 and name HB )) 2.300 0.700 0.700 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.31524E-02 ppm1 3.501 ppm2 2.101 CV 1 ASSI { 1882} ( segid "RN15" and resid 208 and name HG1%) ( segid "RN15" and resid 180 and name HD% ) 4.300 2.400 1.700 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.87009E-03 ppm1 0.711 ppm2 6.983 CV 1 ASSI { 1883} ( segid "RN15" and resid 208 and name HG1%) ( segid "RN15" and resid 180 and name HE% ) 3.000 1.100 1.100 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.14462E-02 ppm1 0.711 ppm2 6.853 CV 1 ASSI { 1885} ( segid "RN15" and resid 208 and name HG1%) (( segid "RN15" and resid 208 and name HA )) 2.400 0.700 0.700 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.54476E-02 ppm1 0.708 ppm2 3.497 CV 1 ASSI { 1886} ( segid "RN15" and resid 208 and name HG1%) (( segid "RN15" and resid 208 and name HB )) 1.900 0.400 0.400 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.98142E-02 ppm1 0.708 ppm2 2.101 CV 1 ASSI { 1887} ( segid "RN15" and resid 208 and name HG1%) ( segid "RN15" and resid 208 and name HG2%) 2.000 0.500 0.500 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.94526E-02 ppm1 0.698 ppm2 1.028 CV 1 ASSI { 1888} ( segid "RN15" and resid 208 and name HG1%) (( segid "RN15" and resid 209 and name HA )) 2.800 1.000 1.000 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.25027E-02 ppm1 0.694 ppm2 3.663 CV 1 ASSI { 1889} ( segid "RN15" and resid 208 and name HG1%) ( segid "RN14" and resid 638 and name HD2%) 2.100 0.500 0.500 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.68583E-02 ppm1 0.685 ppm2 0.296 CV 1 ASSI { 1890} ( segid "RN15" and resid 208 and name HG2%) (( segid "RN15" and resid 208 and name HA )) 1.800 0.400 0.400 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.94161E-02 ppm1 1.037 ppm2 3.498 CV 1 ASSI { 1897} (( segid "RN15" and resid 209 and name HA )) ( segid "RN15" and resid 180 and name HD% ) 5.500 3.800 0.500 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.32461E-03 ppm1 3.649 ppm2 6.980 CV 1 ASSI { 1898} (( segid "RN15" and resid 209 and name HA )) ( segid "RN15" and resid 180 and name HE% ) 3.500 1.500 1.500 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.51324E-03 ppm1 3.659 ppm2 6.857 CV 1 ASSI { 1899} (( segid "RN15" and resid 209 and name HA )) (( segid "RN15" and resid 209 and name HB )) 2.800 1.000 1.000 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.23119E-02 ppm1 3.660 ppm2 4.353 CV 1 ASSI { 1901} (( segid "RN15" and resid 209 and name HA )) (( segid "RN15" and resid 212 and name HB2 )) 2.700 0.900 0.900 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.81977E-03 ppm1 3.657 ppm2 1.212 CV 1 ASSI { 1908} ( segid "RN15" and resid 209 and name HG2%) (( segid "RN15" and resid 209 and name HA )) 2.200 0.600 0.600 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.90688E-02 ppm1 1.276 ppm2 3.658 CV 1 ASSI { 1909} ( segid "RN15" and resid 209 and name HG2%) (( segid "RN15" and resid 209 and name HB )) 1.900 0.500 0.500 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.14000E-01 ppm1 1.276 ppm2 4.359 CV 1 ASSI { 1910} ( segid "RN15" and resid 209 and name HG2%) (( segid "RN15" and resid 210 and name HA )) 3.500 1.500 1.500 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.17064E-02 ppm1 1.283 ppm2 3.849 CV 1 ASSI { 1911} ( segid "RN15" and resid 210 and name HB% ) (( segid "RN15" and resid 207 and name HA )) 2.000 0.500 0.500 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.51132E-02 ppm1 1.370 ppm2 4.116 CV 1 ASSI { 1912} ( segid "RN15" and resid 210 and name HB% ) ( segid "RN15" and resid 207 and name HD% ) 3.500 3.500 2.500 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.50181E-03 ppm1 1.360 ppm2 7.132 CV 1 ASSI { 1913} ( segid "RN15" and resid 210 and name HB% ) (( segid "RN15" and resid 210 and name HA )) 1.800 0.400 0.400 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.15144E-01 ppm1 1.360 ppm2 3.852 CV 1 ASSI { 1914} ( segid "RN15" and resid 210 and name HB% ) ( segid "RN15" and resid 224 and name HD1%) 1.800 0.400 0.400 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.13035E-01 ppm1 1.361 ppm2 0.796 CV 1 ASSI { 1915} ( segid "RN15" and resid 210 and name HB% ) ( segid "RN14" and resid 653 and name HD1%) 1.900 0.500 0.500 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.96400E-02 ppm1 1.359 ppm2 0.666 CV 1 ASSI { 1916} (( segid "RN15" and resid 211 and name HG2 )) (( segid "RN15" and resid 211 and name HA )) 2.700 0.900 0.900 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.45178E-02 ppm1 2.088 ppm2 4.043 CV 1 OR { 1916} (( segid "RN15" and resid 211 and name HG1 )) (( segid "RN15" and resid 211 and name HA )) ASSI { 1920} (( segid "RN15" and resid 213 and name HA )) ( segid "RN15" and resid 218 and name HG2%) 4.300 2.300 1.700 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.23211E-02 ppm1 4.054 ppm2 1.028 CV 1 ASSI { 1921} (( segid "RN15" and resid 214 and name HG )) (( segid "RN15" and resid 214 and name HA )) 3.100 1.200 1.200 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.25201E-02 ppm1 1.757 ppm2 4.332 CV 1 ASSI { 1922} (( segid "RN15" and resid 215 and name HB )) (( segid "RN15" and resid 215 and name HA )) 2.200 0.600 0.600 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.11525E-01 ppm1 4.304 ppm2 4.166 CV 1 ASSI { 1923} ( segid "RN15" and resid 215 and name HG2%) (( segid "RN15" and resid 181 and name HG )) 3.700 3.700 2.300 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.38368E-02 ppm1 1.392 ppm2 2.101 CV 1 ASSI { 1924} ( segid "RN15" and resid 215 and name HG2%) (( segid "RN15" and resid 215 and name HA )) 2.700 0.900 0.900 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.15231E-01 ppm1 1.392 ppm2 4.167 CV 1 ASSI { 1926} (( segid "RN15" and resid 216 and name HA )) (( segid "RN15" and resid 216 and name HB1 )) 2.600 0.900 0.900 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.39330E-02 ppm1 4.907 ppm2 2.689 CV 1 ASSI { 1927} (( segid "RN15" and resid 216 and name HA )) (( segid "RN15" and resid 216 and name HB2 )) 2.800 1.000 1.000 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.47695E-02 ppm1 4.913 ppm2 2.844 CV 1 ASSI { 1928} (( segid "RN15" and resid 218 and name HA )) (( segid "RN15" and resid 218 and name HB )) 3.000 1.100 1.100 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.25169E-02 ppm1 3.888 ppm2 1.953 CV 1 ASSI { 1930} ( segid "RN15" and resid 218 and name HD1%) (( segid "RN15" and resid 216 and name HB1 )) 3.300 3.300 2.700 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.30552E-02 ppm1 0.919 ppm2 2.690 CV 1 ASSI { 1931} ( segid "RN15" and resid 218 and name HD1%) (( segid "RN15" and resid 216 and name HB2 )) 3.000 1.100 1.100 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.36542E-02 ppm1 0.919 ppm2 2.843 CV 1 ASSI { 1932} ( segid "RN15" and resid 218 and name HD1%) (( segid "RN15" and resid 218 and name HA )) 2.700 0.900 0.900 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.41124E-02 ppm1 0.917 ppm2 3.882 CV 1 ASSI { 1933} ( segid "RN15" and resid 218 and name HD1%) (( segid "RN15" and resid 218 and name HG11)) 2.200 0.600 0.600 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.78241E-02 ppm1 0.912 ppm2 1.543 CV 1 ASSI { 1935} ( segid "RN15" and resid 218 and name HD1%) (( segid "RN14" and resid 668 and name HA )) 3.300 1.400 1.400 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.28057E-02 ppm1 0.914 ppm2 4.364 CV 1 ASSI { 1936} ( segid "RN15" and resid 218 and name HD1%) (( segid "RN14" and resid 669 and name HD1 )) 2.300 0.700 0.700 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.37360E-02 ppm1 0.915 ppm2 3.541 CV 1 ASSI { 1937} (( segid "RN15" and resid 218 and name HG11)) (( segid "RN15" and resid 218 and name HA )) 3.300 1.400 1.400 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.31423E-02 ppm1 1.547 ppm2 3.884 CV 1 ASSI { 1938} (( segid "RN15" and resid 218 and name HG11)) ( segid "RN15" and resid 218 and name HG2%) 2.400 0.700 0.700 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.46692E-02 ppm1 1.538 ppm2 1.029 CV 1 ASSI { 1940} ( segid "RN15" and resid 218 and name HG2%) (( segid "RN15" and resid 218 and name HA )) 2.300 0.600 0.600 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.94052E-02 ppm1 1.021 ppm2 3.884 CV 1 ASSI { 1941} ( segid "RN15" and resid 218 and name HG2%) (( segid "RN15" and resid 218 and name HB )) 2.000 0.500 0.500 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.10076E-01 ppm1 1.030 ppm2 1.962 CV 1 ASSI { 1942} ( segid "RN15" and resid 218 and name HG2%) ( segid "RN14" and resid 666 and name HG2%) 2.900 1.000 1.000 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.74632E-02 ppm1 1.032 ppm2 0.478 CV 1 ASSI { 1944} (( segid "RN15" and resid 219 and name HA )) (( segid "RN15" and resid 219 and name HB1 )) 2.200 0.600 0.600 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.82046E-02 ppm1 4.950 ppm2 3.455 CV 1 ASSI { 1945} (( segid "RN15" and resid 219 and name HA )) (( segid "RN15" and resid 219 and name HB2 )) 2.600 0.900 0.900 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.81909E-02 ppm1 4.944 ppm2 2.873 CV 1 ASSI { 1946} (( segid "RN15" and resid 219 and name HA )) ( segid "RN14" and resid 661 and name HE% ) 5.000 3.100 1.000 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.69668E-03 ppm1 4.933 ppm2 7.140 CV 1 ASSI { 1949} (( segid "RN15" and resid 219 and name HB1 )) ( segid "RN14" and resid 661 and name HE% ) 3.600 1.700 1.700 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.89677E-03 ppm1 3.448 ppm2 7.135 CV 1 ASSI { 1952} (( segid "RN15" and resid 219 and name HB2 )) (( segid "RN15" and resid 219 and name HB1 )) 1.700 0.300 0.500 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.90876E-02 ppm1 2.875 ppm2 3.454 CV 1 ASSI { 1953} (( segid "RN15" and resid 219 and name HB2 )) ( segid "RN14" and resid 661 and name HE% ) 3.800 1.800 1.800 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.83634E-03 ppm1 2.869 ppm2 7.147 CV 1 ASSI { 1956} (( segid "RN15" and resid 220 and name HA )) ( segid "RN15" and resid 214 and name HD1%) 4.900 3.000 1.100 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.10486E-02 ppm1 4.738 ppm2 0.801 CV 1 ASSI { 1957} (( segid "RN15" and resid 220 and name HA )) ( segid "RN15" and resid 214 and name HD2%) 2.600 0.800 0.800 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.21368E-02 ppm1 4.735 ppm2 0.720 CV 1 ASSI { 1959} (( segid "RN15" and resid 220 and name HA )) (( segid "RN15" and resid 220 and name HB2 )) 2.700 0.900 0.900 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.60358E-02 ppm1 4.735 ppm2 2.089 CV 1 ASSI { 1960} (( segid "RN15" and resid 220 and name HA )) (( segid "RN15" and resid 220 and name HG1 )) 2.700 0.900 0.900 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.39377E-02 ppm1 4.735 ppm2 1.508 CV 1 OR { 1960} (( segid "RN15" and resid 220 and name HA )) (( segid "RN15" and resid 220 and name HG2 )) ASSI { 1961} (( segid "RN15" and resid 220 and name HB2 )) (( segid "RN15" and resid 220 and name HE2 )) 3.600 1.600 1.600 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.16051E-02 ppm1 2.093 ppm2 3.044 CV 1 OR { 1961} (( segid "RN15" and resid 220 and name HB2 )) (( segid "RN15" and resid 220 and name HE1 )) ASSI { 1962} (( segid "RN15" and resid 220 and name HG2 )) (( segid "RN15" and resid 220 and name HB2 )) 2.300 0.700 0.700 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.79350E-02 ppm1 1.505 ppm2 2.089 CV 1 OR { 1962} (( segid "RN15" and resid 220 and name HG1 )) (( segid "RN15" and resid 220 and name HB2 )) ASSI { 1963} (( segid "RN15" and resid 220 and name HG2 )) (( segid "RN15" and resid 220 and name HE1 )) 2.700 0.900 0.900 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.67063E-02 ppm1 1.511 ppm2 3.044 CV 1 OR { 1963} (( segid "RN15" and resid 220 and name HG2 )) (( segid "RN15" and resid 220 and name HE2 )) OR { 1963} (( segid "RN15" and resid 220 and name HG1 )) (( segid "RN15" and resid 220 and name HE2 )) OR { 1963} (( segid "RN15" and resid 220 and name HG1 )) (( segid "RN15" and resid 220 and name HE1 )) ASSI { 1964} (( segid "RN15" and resid 221 and name HB )) ( segid "RN15" and resid 221 and name HG2%) 2.300 0.700 0.700 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.74900E-02 ppm1 2.100 ppm2 1.083 CV 1 ASSI { 1965} ( segid "RN15" and resid 221 and name HG1%) (( segid "RN15" and resid 221 and name HA )) 2.400 0.700 0.700 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.62922E-02 ppm1 1.011 ppm2 3.641 CV 1 ASSI { 1966} ( segid "RN15" and resid 221 and name HG1%) (( segid "RN15" and resid 224 and name HB1 )) 3.500 1.500 1.500 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.52134E-02 ppm1 1.002 ppm2 1.847 CV 1 ASSI { 1967} ( segid "RN15" and resid 221 and name HG2%) (( segid "RN15" and resid 221 and name HA )) 2.200 0.600 0.600 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.94366E-02 ppm1 1.094 ppm2 3.641 CV 1 ASSI { 1969} (( segid "RN15" and resid 223 and name HA )) (( segid "RN15" and resid 223 and name HB1 )) 2.400 0.700 0.700 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.40408E-02 ppm1 4.408 ppm2 2.793 CV 1 ASSI { 1970} (( segid "RN15" and resid 224 and name HA )) (( segid "RN15" and resid 227 and name HG )) 2.000 0.500 0.500 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.39162E-02 ppm1 4.015 ppm2 1.447 CV 1 ASSI { 1971} (( segid "RN15" and resid 224 and name HB2 )) (( segid "RN15" and resid 224 and name HA )) 2.900 1.100 1.100 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.20491E-02 ppm1 1.368 ppm2 4.012 CV 1 ASSI { 1973} ( segid "RN15" and resid 224 and name HD2%) ( segid "RN14" and resid 653 and name HD2%) 2.900 1.100 1.100 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.76231E-02 ppm1 0.450 ppm2 0.730 CV 1 ASSI { 1976} (( segid "RN15" and resid 225 and name HB )) (( segid "RN15" and resid 225 and name HA )) 3.200 1.300 1.300 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.15123E-02 ppm1 2.022 ppm2 3.908 CV 1 ASSI { 1977} (( segid "RN15" and resid 225 and name HB )) (( segid "RN15" and resid 225 and name HG12)) 3.200 1.300 1.300 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.20345E-02 ppm1 2.006 ppm2 1.215 CV 1 ASSI { 1978} (( segid "RN15" and resid 225 and name HB )) ( segid "RN15" and resid 225 and name HG2%) 2.300 0.700 0.700 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.83445E-02 ppm1 2.019 ppm2 0.922 CV 1 ASSI { 1979} (( segid "RN15" and resid 225 and name HB )) (( segid "RN15" and resid 226 and name HD1 )) 2.400 0.700 0.700 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.42199E-02 ppm1 2.015 ppm2 3.668 CV 1 ASSI { 1980} (( segid "RN15" and resid 225 and name HB )) (( segid "RN15" and resid 226 and name HD2 )) 3.600 1.700 1.700 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.26616E-02 ppm1 2.017 ppm2 3.391 CV 1 ASSI { 1981} ( segid "RN15" and resid 225 and name HD1%) (( segid "RN15" and resid 222 and name HA )) 2.400 0.700 0.700 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.64270E-02 ppm1 0.906 ppm2 4.314 CV 1 ASSI { 1982} ( segid "RN15" and resid 225 and name HD1%) (( segid "RN15" and resid 225 and name HA )) 4.300 2.300 1.700 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.33306E-02 ppm1 0.904 ppm2 3.908 CV 1 ASSI { 1983} ( segid "RN15" and resid 225 and name HD1%) (( segid "RN15" and resid 225 and name HB )) 2.700 0.900 0.900 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.43401E-02 ppm1 0.906 ppm2 2.012 CV 1 ASSI { 1984} ( segid "RN15" and resid 225 and name HD1%) (( segid "RN15" and resid 225 and name HG11)) 2.200 0.600 0.600 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.67994E-02 ppm1 0.909 ppm2 1.732 CV 1 ASSI { 1985} ( segid "RN15" and resid 225 and name HD1%) (( segid "RN15" and resid 225 and name HG12)) 2.200 0.600 0.600 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.90791E-02 ppm1 0.907 ppm2 1.220 CV 1 ASSI { 1986} (( segid "RN15" and resid 225 and name HG12)) ( segid "RN15" and resid 221 and name HG2%) 2.000 2.000 4.000 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.83993E-02 ppm1 0.915 ppm2 1.080 CV 1 OR { 1986} (( segid "RN15" and resid 225 and name HG11)) ( segid "RN15" and resid 221 and name HG2%) OR { 1986} ( segid "RN15" and resid 225 and name HG2%) ( segid "RN15" and resid 221 and name HG2%) ASSI { 1987} (( segid "RN15" and resid 225 and name HG11)) ( segid "RN15" and resid 225 and name HD1%) 2.400 0.700 0.700 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.71182E-02 ppm1 1.735 ppm2 0.906 CV 1 OR { 1987} (( segid "RN15" and resid 225 and name HG11)) ( segid "RN15" and resid 225 and name HG2%) ASSI { 1988} (( segid "RN15" and resid 225 and name HG11)) (( segid "RN15" and resid 225 and name HG12)) 1.500 0.300 0.700 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.92938E-02 ppm1 1.737 ppm2 1.218 CV 1 ASSI { 1989} (( segid "RN15" and resid 225 and name HG12)) ( segid "RN15" and resid 225 and name HD1%) 2.200 0.600 0.600 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.93812E-02 ppm1 1.210 ppm2 0.911 CV 1 OR { 1989} (( segid "RN15" and resid 225 and name HG12)) ( segid "RN15" and resid 225 and name HG2%) ASSI { 1990} (( segid "RN15" and resid 225 and name HG12)) (( segid "RN15" and resid 225 and name HA )) 2.900 1.100 1.100 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.41045E-02 ppm1 1.214 ppm2 3.904 CV 1 ASSI { 1991} ( segid "RN15" and resid 225 and name HG2%) (( segid "RN15" and resid 225 and name HA )) 2.400 0.700 0.700 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.70371E-02 ppm1 0.925 ppm2 3.909 CV 1 ASSI { 1992} ( segid "RN15" and resid 225 and name HG2%) (( segid "RN15" and resid 225 and name HG11)) 3.200 1.300 1.300 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.53711E-02 ppm1 0.925 ppm2 1.732 CV 1 ASSI { 1993} ( segid "RN15" and resid 225 and name HG2%) (( segid "RN15" and resid 225 and name HG12)) 2.300 0.600 0.600 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.92538E-02 ppm1 0.931 ppm2 1.218 CV 1 ASSI { 1994} ( segid "RN15" and resid 225 and name HG2%) (( segid "RN15" and resid 226 and name HA )) 4.100 2.100 1.900 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.18949E-02 ppm1 0.932 ppm2 4.530 CV 1 ASSI { 1996} (( segid "RN15" and resid 226 and name HA )) (( segid "RN15" and resid 226 and name HB1 )) 2.300 0.700 0.700 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.82023E-02 ppm1 4.529 ppm2 2.413 CV 1 ASSI { 1997} (( segid "RN15" and resid 226 and name HA )) (( segid "RN15" and resid 226 and name HB2 )) 3.100 1.200 1.200 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.44172E-02 ppm1 4.530 ppm2 1.731 CV 1 ASSI { 1998} (( segid "RN15" and resid 226 and name HA )) (( segid "RN15" and resid 226 and name HD1 )) 4.100 2.100 1.900 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.49794E-03 ppm1 4.524 ppm2 3.668 CV 1 ASSI { 1999} (( segid "RN15" and resid 226 and name HA )) (( segid "RN15" and resid 226 and name HD2 )) 4.600 2.600 1.400 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.58970E-03 ppm1 4.525 ppm2 3.391 CV 1 ASSI { 2000} (( segid "RN15" and resid 226 and name HA )) (( segid "RN15" and resid 226 and name HG1 )) 2.900 1.100 1.100 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.33447E-02 ppm1 4.527 ppm2 1.919 CV 1 ASSI { 2001} (( segid "RN15" and resid 226 and name HA )) (( segid "RN15" and resid 226 and name HG2 )) 3.600 1.600 1.600 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.48891E-02 ppm1 4.524 ppm2 1.958 CV 1 ASSI { 2002} (( segid "RN15" and resid 226 and name HA )) ( segid "RN15" and resid 228 and name HB% ) 4.400 2.400 1.600 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.52656E-03 ppm1 4.532 ppm2 1.479 CV 1 ASSI { 2004} (( segid "RN15" and resid 226 and name HB1 )) (( segid "RN15" and resid 226 and name HG2 )) 2.800 1.000 1.000 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.35344E-02 ppm1 2.417 ppm2 1.956 CV 1 ASSI { 2007} (( segid "RN15" and resid 226 and name HG2 )) (( segid "RN15" and resid 226 and name HA )) 3.100 1.200 1.200 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.36612E-02 ppm1 1.934 ppm2 4.531 CV 1 OR { 2007} (( segid "RN15" and resid 226 and name HG1 )) (( segid "RN15" and resid 226 and name HA )) ASSI { 2008} (( segid "RN15" and resid 226 and name HG2 )) (( segid "RN15" and resid 226 and name HD1 )) 2.600 0.800 0.800 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.47806E-02 ppm1 1.969 ppm2 3.665 CV 1 ASSI { 2010} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN15" and resid 227 and name HB1 )) 1.800 0.400 0.400 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.10568E-01 ppm1 0.383 ppm2 1.452 CV 1 ASSI { 2013} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN15" and resid 227 and name HB1 )) 1.900 0.400 0.400 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.14550E-01 ppm1 0.590 ppm2 1.453 CV 1 ASSI { 2014} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN15" and resid 227 and name HB2 )) 2.400 0.700 0.700 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.16830E-01 ppm1 0.586 ppm2 1.833 CV 1 ASSI { 2015} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN14" and resid 661 and name HB1 )) 2.900 1.100 1.100 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.36930E-02 ppm1 0.574 ppm2 3.228 CV 1 OR { 2015} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN14" and resid 661 and name HB2 )) ASSI { 2016} ( segid "RN15" and resid 227 and name HD2%) ( segid "RN14" and resid 661 and name HE% ) 3.500 1.500 1.500 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.17707E-02 ppm1 0.580 ppm2 7.152 CV 1 ASSI { 2018} (( segid "RN15" and resid 228 and name HA )) ( segid "RN14" and resid 653 and name HD2%) 3.800 1.800 1.800 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.30590E-02 ppm1 4.345 ppm2 0.725 CV 1 ASSI { 2019} ( segid "RN15" and resid 228 and name HB% ) (( segid "RN15" and resid 225 and name HA )) 3.000 1.100 1.100 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.20394E-02 ppm1 1.476 ppm2 3.914 CV 1 ASSI { 2020} ( segid "RN15" and resid 228 and name HB% ) ( segid "RN15" and resid 225 and name HG2%) 2.700 0.900 0.900 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.54018E-02 ppm1 1.481 ppm2 0.930 CV 1 ASSI { 2021} ( segid "RN15" and resid 228 and name HB% ) (( segid "RN15" and resid 228 and name HA )) 1.900 0.500 0.500 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.18155E-01 ppm1 1.490 ppm2 4.352 CV 1 ASSI { 2022} ( segid "RN15" and resid 228 and name HB% ) (( segid "RN14" and resid 653 and name HA )) 2.600 0.900 0.900 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.27427E-02 ppm1 1.481 ppm2 4.443 CV 1 ASSI { 2023} (( segid "RN15" and resid 229 and name HA )) (( segid "RN15" and resid 229 and name HB2 )) 2.700 0.900 0.900 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.58136E-02 ppm1 4.384 ppm2 3.780 CV 1 OR { 2023} (( segid "RN15" and resid 229 and name HA )) (( segid "RN15" and resid 229 and name HB1 )) ASSI { 2024} (( segid "RN15" and resid 229 and name HA )) (( segid "RN15" and resid 232 and name HG2 )) 3.500 3.500 2.500 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.33015E-02 ppm1 4.387 ppm2 2.361 CV 1 OR { 2024} (( segid "RN15" and resid 229 and name HA )) (( segid "RN15" and resid 232 and name HG1 )) ASSI { 2025} (( segid "RN15" and resid 230 and name HA )) (( segid "RN15" and resid 230 and name HB1 )) 2.400 0.700 0.700 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.58735E-02 ppm1 4.742 ppm2 1.888 CV 1 ASSI { 2026} (( segid "RN15" and resid 230 and name HA )) (( segid "RN15" and resid 230 and name HB2 )) 2.800 1.000 1.000 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.53476E-02 ppm1 4.737 ppm2 1.760 CV 1 ASSI { 2027} (( segid "RN15" and resid 230 and name HA )) (( segid "RN15" and resid 230 and name HD2 )) 3.600 1.600 1.600 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.23318E-02 ppm1 4.758 ppm2 3.239 CV 1 OR { 2027} (( segid "RN15" and resid 230 and name HA )) (( segid "RN15" and resid 230 and name HD1 )) ASSI { 2028} (( segid "RN15" and resid 230 and name HA )) (( segid "RN15" and resid 230 and name HG1 )) 2.800 1.000 1.000 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.35858E-02 ppm1 4.741 ppm2 1.683 CV 1 OR { 2028} (( segid "RN15" and resid 230 and name HA )) (( segid "RN15" and resid 230 and name HG2 )) ASSI { 2029} (( segid "RN15" and resid 230 and name HA )) (( segid "RN15" and resid 231 and name HD1 )) 1.900 0.500 0.500 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.12783E-01 ppm1 4.747 ppm2 3.673 CV 1 ASSI { 2030} (( segid "RN15" and resid 230 and name HA )) (( segid "RN15" and resid 231 and name HD2 )) 2.200 0.600 0.600 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.13014E-01 ppm1 4.747 ppm2 3.820 CV 1 ASSI { 2031} (( segid "RN15" and resid 230 and name HB1 )) (( segid "RN15" and resid 231 and name HD1 )) 3.800 1.800 1.800 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.22034E-02 ppm1 1.895 ppm2 3.674 CV 1 ASSI { 2032} (( segid "RN15" and resid 230 and name HG1 )) (( segid "RN15" and resid 230 and name HD2 )) 2.400 0.700 0.700 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.90122E-02 ppm1 1.682 ppm2 3.242 CV 1 OR { 2032} (( segid "RN15" and resid 230 and name HG2 )) (( segid "RN15" and resid 230 and name HD1 )) OR { 2032} (( segid "RN15" and resid 230 and name HG1 )) (( segid "RN15" and resid 230 and name HD1 )) OR { 2032} (( segid "RN15" and resid 230 and name HG2 )) (( segid "RN15" and resid 230 and name HD2 )) ASSI { 2034} (( segid "RN15" and resid 231 and name HA )) (( segid "RN15" and resid 231 and name HB1 )) 2.100 0.600 0.600 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.96268E-02 ppm1 4.460 ppm2 2.320 CV 1 ASSI { 2035} (( segid "RN15" and resid 231 and name HA )) (( segid "RN15" and resid 231 and name HB2 )) 2.900 1.100 1.100 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.61551E-02 ppm1 4.456 ppm2 1.996 CV 1 ASSI { 2037} (( segid "RN15" and resid 231 and name HD1 )) (( segid "RN15" and resid 231 and name HD2 )) 1.400 0.300 0.800 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.33167E-01 ppm1 3.678 ppm2 3.819 CV 1 ASSI { 2038} (( segid "RN15" and resid 231 and name HD1 )) (( segid "RN15" and resid 231 and name HG1 )) 2.300 0.600 0.600 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.58844E-02 ppm1 3.670 ppm2 2.080 CV 1 ASSI { 2039} (( segid "RN15" and resid 231 and name HD1 )) (( segid "RN15" and resid 231 and name HG2 )) 2.600 0.800 0.800 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.86975E-02 ppm1 3.665 ppm2 2.007 CV 1 ASSI { 2040} (( segid "RN15" and resid 231 and name HD2 )) (( segid "RN15" and resid 231 and name HB1 )) 4.300 2.300 1.700 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.17040E-02 ppm1 3.824 ppm2 2.322 CV 1 ASSI { 2042} (( segid "RN15" and resid 231 and name HD2 )) (( segid "RN15" and resid 231 and name HG1 )) 3.100 1.200 1.200 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.40038E-02 ppm1 3.823 ppm2 2.079 CV 1 ASSI { 2043} (( segid "RN15" and resid 231 and name HD2 )) (( segid "RN15" and resid 231 and name HG2 )) 2.200 0.600 0.600 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.64853E-02 ppm1 3.821 ppm2 2.013 CV 1 ASSI { 2045} (( segid "RN15" and resid 231 and name HG2 )) (( segid "RN15" and resid 231 and name HA )) 3.800 1.800 1.800 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.30620E-02 ppm1 1.998 ppm2 4.455 CV 1 ASSI { 2046} (( segid "RN15" and resid 230 and name HB2 )) (( segid "RN15" and resid 231 and name HD1 )) 5.000 3.100 1.000 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.11942E-02 ppm1 1.769 ppm2 3.674 CV 1 ASSI { 2047} (( segid "RN15" and resid 232 and name HB1 )) (( segid "RN15" and resid 232 and name HA )) 2.800 1.000 1.000 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.46155E-02 ppm1 2.145 ppm2 4.165 CV 1 OR { 2047} (( segid "RN15" and resid 232 and name HB2 )) (( segid "RN15" and resid 232 and name HA )) ASSI { 2049} (( segid "RN14" and resid 626 and name HD2 )) (( segid "RN14" and resid 626 and name HE2 )) 2.300 0.700 0.700 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.12013E-01 ppm1 1.698 ppm2 2.989 CV 1 OR { 2049} (( segid "RN14" and resid 626 and name HD2 )) (( segid "RN14" and resid 626 and name HE1 )) OR { 2049} (( segid "RN14" and resid 626 and name HD1 )) (( segid "RN14" and resid 626 and name HE2 )) OR { 2049} (( segid "RN14" and resid 626 and name HD1 )) (( segid "RN14" and resid 626 and name HE1 )) ASSI { 2050} (( segid "RN14" and resid 626 and name HE1 )) (( segid "RN14" and resid 626 and name HG1 )) 2.600 0.900 0.900 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.86701E-02 ppm1 2.998 ppm2 1.420 CV 1 OR { 2050} (( segid "RN14" and resid 626 and name HE1 )) (( segid "RN14" and resid 626 and name HG2 )) OR { 2050} (( segid "RN14" and resid 626 and name HE2 )) (( segid "RN14" and resid 626 and name HG1 )) OR { 2050} (( segid "RN14" and resid 626 and name HE2 )) (( segid "RN14" and resid 626 and name HG2 )) ASSI { 2051} (( segid "RN14" and resid 626 and name HG2 )) (( segid "RN14" and resid 626 and name HA )) 2.700 0.900 0.900 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.51550E-02 ppm1 1.386 ppm2 4.307 CV 1 OR { 2051} (( segid "RN14" and resid 626 and name HG1 )) (( segid "RN14" and resid 626 and name HA )) ASSI { 2052} (( segid "RN14" and resid 627 and name HA )) (( segid "RN14" and resid 627 and name HB1 )) 2.400 0.700 0.700 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.69474E-02 ppm1 4.344 ppm2 1.891 CV 1 ASSI { 2053} (( segid "RN14" and resid 627 and name HA )) (( segid "RN14" and resid 627 and name HG1 )) 2.800 1.000 1.000 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.10348E-01 ppm1 4.327 ppm2 1.668 CV 1 OR { 2053} (( segid "RN14" and resid 627 and name HA )) (( segid "RN14" and resid 627 and name HG2 )) ASSI { 2055} (( segid "RN14" and resid 629 and name HA )) (( segid "RN14" and resid 629 and name HB2 )) 2.700 0.900 0.900 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.70650E-02 ppm1 4.392 ppm2 3.906 CV 1 ASSI { 2057} (( segid "RN14" and resid 630 and name HB2 )) (( segid "RN15" and resid 187 and name HD1 )) 4.700 2.800 1.300 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.49966E-03 ppm1 2.181 ppm2 7.396 CV 1 ASSI { 2059} (( segid "RN14" and resid 630 and name HG1 )) (( segid "RN14" and resid 630 and name HB2 )) 2.300 0.700 0.700 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.16204E-01 ppm1 2.323 ppm2 2.170 CV 1 OR { 2059} (( segid "RN14" and resid 630 and name HG2 )) (( segid "RN14" and resid 630 and name HB2 )) ASSI { 2061} (( segid "RN14" and resid 631 and name HA )) (( segid "RN14" and resid 632 and name HD1 )) 2.500 0.800 0.800 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.34358E-02 ppm1 3.366 ppm2 3.533 CV 1 ASSI { 2062} (( segid "RN14" and resid 631 and name HA )) (( segid "RN14" and resid 632 and name HD2 )) 2.100 0.500 0.500 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.27880E-02 ppm1 3.362 ppm2 2.796 CV 1 ASSI { 2063} (( segid "RN14" and resid 631 and name HB1 )) (( segid "RN14" and resid 631 and name HA )) 2.500 0.800 0.800 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.17960E-02 ppm1 1.242 ppm2 3.362 CV 1 ASSI { 2064} (( segid "RN14" and resid 631 and name HB1 )) (( segid "RN14" and resid 631 and name HG )) 2.700 0.900 0.900 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.36867E-02 ppm1 1.243 ppm2 1.129 CV 1 ASSI { 2065} (( segid "RN14" and resid 631 and name HB2 )) (( segid "RN14" and resid 631 and name HA )) 2.900 1.100 1.100 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.17552E-02 ppm1 0.951 ppm2 3.360 CV 1 ASSI { 2067} (( segid "RN14" and resid 631 and name HB2 )) (( segid "RN14" and resid 631 and name HG )) 2.300 0.700 0.700 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.33125E-02 ppm1 0.954 ppm2 1.126 CV 1 ASSI { 2068} ( segid "RN14" and resid 631 and name HD1%) ( segid "RN15" and resid 145 and name HD% ) 2.500 0.800 0.800 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.24790E-02 ppm1 0.181 ppm2 7.230 CV 1 ASSI { 2069} ( segid "RN14" and resid 631 and name HD1%) ( segid "RN15" and resid 145 and name HE% ) 3.600 1.600 1.600 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.67018E-03 ppm1 0.183 ppm2 7.301 CV 1 ASSI { 2071} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN15" and resid 187 and name HZ2 )) 4.200 2.300 1.800 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.10692E-02 ppm1 0.186 ppm2 7.534 CV 1 ASSI { 2072} ( segid "RN14" and resid 631 and name HD1%) ( segid "RN15" and resid 198 and name HD2%) 2.300 0.600 0.600 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.60118E-02 ppm1 0.183 ppm2 0.687 CV 1 ASSI { 2073} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN14" and resid 631 and name HA )) 3.600 1.600 1.600 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.34996E-02 ppm1 0.184 ppm2 3.367 CV 1 ASSI { 2074} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN14" and resid 631 and name HG )) 2.100 0.500 0.500 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.72153E-02 ppm1 0.182 ppm2 1.126 CV 1 ASSI { 2078} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 631 and name HA )) 2.100 0.500 0.500 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.46122E-02 ppm1 -0.061 ppm2 3.363 CV 1 ASSI { 2080} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 631 and name HG )) 2.100 0.500 0.500 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.64264E-02 ppm1 -0.061 ppm2 1.128 CV 1 ASSI { 2083} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 636 and name HG )) 4.500 2.600 1.500 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.11345E-02 ppm1 -0.063 ppm2 1.489 CV 1 ASSI { 2084} (( segid "RN14" and resid 632 and name HB1 )) (( segid "RN14" and resid 632 and name HB2 )) 1.700 0.400 0.500 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.10317E-01 ppm1 2.624 ppm2 1.831 CV 1 OR { 2084} (( segid "RN14" and resid 632 and name HB1 )) (( segid "RN14" and resid 632 and name HG2 )) ASSI { 2086} (( segid "RN14" and resid 632 and name HD1 )) (( segid "RN15" and resid 187 and name HD1 )) 3.200 1.300 1.300 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.87186E-03 ppm1 3.536 ppm2 7.398 CV 1 ASSI { 2088} (( segid "RN14" and resid 632 and name HD1 )) (( segid "RN14" and resid 632 and name HG1 )) 2.600 0.800 0.800 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.16226E-02 ppm1 3.539 ppm2 2.155 CV 1 ASSI { 2089} (( segid "RN14" and resid 632 and name HD1 )) (( segid "RN14" and resid 632 and name HG2 )) 3.200 1.300 1.300 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.17218E-02 ppm1 3.542 ppm2 1.825 CV 1 ASSI { 2092} (( segid "RN14" and resid 632 and name HD2 )) (( segid "RN14" and resid 632 and name HD1 )) 1.900 0.400 0.400 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.36446E-02 ppm1 2.797 ppm2 3.533 CV 1 ASSI { 2093} (( segid "RN14" and resid 632 and name HD2 )) (( segid "RN14" and resid 632 and name HG1 )) 3.100 1.200 1.200 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.11896E-02 ppm1 2.802 ppm2 2.153 CV 1 ASSI { 2094} (( segid "RN14" and resid 632 and name HD2 )) (( segid "RN14" and resid 632 and name HG2 )) 2.300 0.700 0.700 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.21405E-02 ppm1 2.798 ppm2 1.824 CV 1 ASSI { 2100} (( segid "RN14" and resid 632 and name HG2 )) (( segid "RN14" and resid 632 and name HB1 )) 2.900 1.000 1.000 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.32494E-02 ppm1 1.820 ppm2 2.620 CV 1 ASSI { 2103} (( segid "RN14" and resid 632 and name HG2 )) (( segid "RN14" and resid 632 and name HG1 )) 1.600 0.300 0.600 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.75420E-02 ppm1 1.821 ppm2 2.154 CV 1 ASSI { 2105} (( segid "RN14" and resid 633 and name HA )) (( segid "RN14" and resid 636 and name HB1 )) 3.800 1.800 1.800 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.31644E-02 ppm1 3.700 ppm2 1.940 CV 1 ASSI { 2106} (( segid "RN14" and resid 633 and name HA )) ( segid "RN14" and resid 636 and name HD1%) 2.500 0.800 0.800 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.44912E-02 ppm1 3.717 ppm2 0.852 CV 1 ASSI { 2108} ( segid "RN14" and resid 633 and name HG2%) (( segid "RN14" and resid 633 and name HA )) 2.400 0.700 0.700 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.11843E-01 ppm1 1.288 ppm2 3.720 CV 1 ASSI { 2109} ( segid "RN14" and resid 633 and name HG2%) (( segid "RN14" and resid 633 and name HB )) 2.100 0.600 0.600 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.20688E-01 ppm1 1.289 ppm2 4.085 CV 1 ASSI { 2111} (( segid "RN14" and resid 634 and name HA )) (( segid "RN14" and resid 637 and name HB2 )) 3.100 1.200 1.200 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.29881E-02 ppm1 4.074 ppm2 2.572 CV 1 OR { 2111} (( segid "RN14" and resid 634 and name HA )) (( segid "RN14" and resid 637 and name HB1 )) ASSI { 2113} (( segid "RN14" and resid 635 and name HA )) ( segid "RN15" and resid 180 and name HE% ) 2.100 0.500 0.500 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.20965E-02 ppm1 3.693 ppm2 6.859 CV 1 ASSI { 2115} (( segid "RN14" and resid 635 and name HA )) ( segid "RN14" and resid 635 and name HG1%) 2.200 0.600 0.600 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.60815E-02 ppm1 3.696 ppm2 0.613 CV 1 ASSI { 2116} (( segid "RN14" and resid 635 and name HA )) ( segid "RN14" and resid 635 and name HG2%) 2.200 0.600 0.600 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.57976E-02 ppm1 3.696 ppm2 0.630 CV 1 ASSI { 2119} ( segid "RN14" and resid 635 and name HG1%) (( segid "RN15" and resid 180 and name HZ )) 4.100 2.100 1.900 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.75403E-03 ppm1 0.628 ppm2 6.496 CV 1 ASSI { 2120} ( segid "RN14" and resid 635 and name HG1%) (( segid "RN15" and resid 187 and name HE3 )) 2.200 2.200 3.800 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.49619E-02 ppm1 0.619 ppm2 7.417 CV 1 ASSI { 2122} ( segid "RN14" and resid 635 and name HG2%) ( segid "RN15" and resid 180 and name HD% ) 2.400 0.700 0.700 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.40672E-02 ppm1 0.612 ppm2 7.000 CV 1 ASSI { 2123} ( segid "RN14" and resid 635 and name HG2%) (( segid "RN15" and resid 184 and name HA )) 3.500 1.500 1.500 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.13779E-02 ppm1 0.629 ppm2 4.572 CV 1 ASSI { 2124} ( segid "RN14" and resid 635 and name HG2%) (( segid "RN15" and resid 184 and name HB1 )) 3.900 1.900 1.900 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.22421E-02 ppm1 0.622 ppm2 2.522 CV 1 ASSI { 2125} ( segid "RN14" and resid 635 and name HG2%) ( segid "RN15" and resid 184 and name HD% ) 2.400 0.700 0.700 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.24405E-02 ppm1 0.613 ppm2 7.047 CV 1 ASSI { 2126} ( segid "RN14" and resid 635 and name HG2%) (( segid "RN14" and resid 632 and name HB1 )) 4.400 2.400 1.600 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.19768E-02 ppm1 0.624 ppm2 2.623 CV 1 ASSI { 2127} ( segid "RN14" and resid 635 and name HG2%) (( segid "RN14" and resid 632 and name HD2 )) 2.500 0.800 0.800 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.25897E-02 ppm1 0.622 ppm2 2.792 CV 1 ASSI { 2129} (( segid "RN14" and resid 636 and name HA )) (( segid "RN14" and resid 636 and name HB2 )) 2.700 0.900 0.900 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.49333E-02 ppm1 3.743 ppm2 1.497 CV 1 OR { 2129} (( segid "RN14" and resid 636 and name HA )) (( segid "RN14" and resid 636 and name HG )) ASSI { 2130} (( segid "RN14" and resid 636 and name HA )) (( segid "RN14" and resid 636 and name HB1 )) 2.400 0.700 0.700 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.25673E-02 ppm1 3.752 ppm2 1.933 CV 1 ASSI { 2131} (( segid "RN14" and resid 636 and name HA )) ( segid "RN14" and resid 639 and name HD1%) 2.300 0.700 0.700 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.31393E-02 ppm1 3.732 ppm2 0.811 CV 1 ASSI { 2134} (( segid "RN14" and resid 637 and name HB2 )) (( segid "RN14" and resid 637 and name HA )) 2.500 0.800 0.800 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.97393E-02 ppm1 2.576 ppm2 4.256 CV 1 OR { 2134} (( segid "RN14" and resid 637 and name HB1 )) (( segid "RN14" and resid 637 and name HA )) ASSI { 2141} (( segid "RN14" and resid 638 and name HB2 )) (( segid "RN14" and resid 638 and name HA )) 2.200 0.600 0.600 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.71981E-02 ppm1 1.511 ppm2 4.132 CV 1 OR { 2141} (( segid "RN14" and resid 638 and name HB1 )) (( segid "RN14" and resid 638 and name HA )) ASSI { 2144} ( segid "RN14" and resid 638 and name HD1%) (( segid "RN15" and resid 172 and name HE1 )) 2.800 1.000 1.000 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.29042E-02 ppm1 0.445 ppm2 2.781 CV 1 OR { 2144} ( segid "RN14" and resid 638 and name HD1%) (( segid "RN15" and resid 172 and name HE2 )) ASSI { 2145} ( segid "RN14" and resid 638 and name HD1%) (( segid "RN15" and resid 204 and name HG1 )) 4.300 2.300 1.700 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.21064E-02 ppm1 0.447 ppm2 2.853 CV 1 ASSI { 2146} ( segid "RN14" and resid 638 and name HD1%) (( segid "RN15" and resid 204 and name HG2 )) 4.900 2.900 1.100 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.13586E-02 ppm1 0.447 ppm2 1.963 CV 1 ASSI { 2152} (( segid "RN14" and resid 638 and name HG )) (( segid "RN14" and resid 638 and name HA )) 2.800 1.000 1.000 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.28405E-02 ppm1 1.385 ppm2 4.131 CV 1 ASSI { 2154} (( segid "RN14" and resid 639 and name HB2 )) ( segid "RN14" and resid 639 and name HD1%) 2.300 0.600 0.600 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.59061E-02 ppm1 1.431 ppm2 0.806 CV 1 ASSI { 2155} ( segid "RN14" and resid 639 and name HD2%) (( segid "RN14" and resid 639 and name HA )) 1.900 0.400 0.400 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.88060E-02 ppm1 0.865 ppm2 3.825 CV 1 ASSI { 2156} ( segid "RN14" and resid 639 and name HD2%) (( segid "RN14" and resid 639 and name HB2 )) 2.800 1.000 1.000 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.59649E-02 ppm1 0.882 ppm2 1.409 CV 1 ASSI { 2157} (( segid "RN14" and resid 640 and name HA )) (( segid "RN15" and resid 149 and name HB2 )) 3.000 1.100 1.100 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.25095E-02 ppm1 4.195 ppm2 2.354 CV 1 ASSI { 2158} (( segid "RN14" and resid 640 and name HA )) ( segid "RN15" and resid 152 and name HG2%) 4.100 2.100 1.900 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.71787E-03 ppm1 4.196 ppm2 0.846 CV 1 ASSI { 2159} (( segid "RN14" and resid 640 and name HB1 )) (( segid "RN15" and resid 149 and name HB1 )) 4.200 2.200 1.800 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.12002E-02 ppm1 4.065 ppm2 1.753 CV 1 ASSI { 2160} (( segid "RN14" and resid 640 and name HB1 )) (( segid "RN15" and resid 149 and name HB2 )) 3.700 1.700 1.700 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.12029E-02 ppm1 4.067 ppm2 2.356 CV 1 ASSI { 2161} (( segid "RN14" and resid 640 and name HB1 )) (( segid "RN15" and resid 149 and name HG2 )) 4.000 2.000 2.000 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.67600E-03 ppm1 4.075 ppm2 2.130 CV 1 ASSI { 2162} (( segid "RN14" and resid 640 and name HB1 )) ( segid "RN15" and resid 152 and name HG2%) 3.500 1.600 1.600 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.16871E-02 ppm1 4.066 ppm2 0.843 CV 1 ASSI { 2163} (( segid "RN14" and resid 640 and name HB2 )) (( segid "RN15" and resid 149 and name HB1 )) 3.300 1.300 1.300 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.21080E-02 ppm1 3.957 ppm2 1.754 CV 1 ASSI { 2164} (( segid "RN14" and resid 640 and name HB2 )) (( segid "RN15" and resid 149 and name HB2 )) 2.700 0.900 0.900 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.18654E-02 ppm1 3.959 ppm2 2.353 CV 1 ASSI { 2165} (( segid "RN14" and resid 640 and name HB2 )) (( segid "RN15" and resid 149 and name HG2 )) 3.200 1.300 1.300 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.10347E-02 ppm1 3.964 ppm2 2.131 CV 1 ASSI { 2166} (( segid "RN14" and resid 640 and name HB2 )) ( segid "RN15" and resid 152 and name HG2%) 3.700 1.700 1.700 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.17031E-02 ppm1 3.957 ppm2 0.846 CV 1 ASSI { 2167} (( segid "RN14" and resid 641 and name HA )) (( segid "RN14" and resid 641 and name HB )) 2.400 0.700 0.700 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.75665E-02 ppm1 4.548 ppm2 2.477 CV 1 ASSI { 2168} (( segid "RN14" and resid 641 and name HA )) ( segid "RN14" and resid 641 and name HG1%) 2.300 0.700 0.700 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.14534E-01 ppm1 4.549 ppm2 0.843 CV 1 ASSI { 2169} (( segid "RN14" and resid 641 and name HA )) ( segid "RN14" and resid 641 and name HG2%) 3.300 1.300 1.300 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.45364E-02 ppm1 4.550 ppm2 0.919 CV 1 ASSI { 2171} ( segid "RN14" and resid 641 and name HG1%) (( segid "RN14" and resid 640 and name HB1 )) 3.200 1.300 1.300 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.18455E-02 ppm1 0.849 ppm2 4.069 CV 1 ASSI { 2173} ( segid "RN14" and resid 641 and name HG1%) (( segid "RN14" and resid 641 and name HB )) 2.200 0.600 0.600 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.14622E-01 ppm1 0.856 ppm2 2.477 CV 1 ASSI { 2174} ( segid "RN14" and resid 641 and name HG2%) (( segid "RN15" and resid 168 and name HG2 )) 2.900 1.100 1.100 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.27482E-02 ppm1 0.918 ppm2 2.373 CV 1 OR { 2174} ( segid "RN14" and resid 641 and name HG2%) (( segid "RN15" and resid 168 and name HG1 )) ASSI { 2176} ( segid "RN14" and resid 641 and name HG2%) (( segid "RN15" and resid 204 and name HG1 )) 4.400 2.500 1.600 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.11995E-02 ppm1 0.921 ppm2 2.852 CV 1 ASSI { 2179} ( segid "RN14" and resid 641 and name HG2%) (( segid "RN14" and resid 641 and name HB )) 2.100 0.500 0.500 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.12143E-01 ppm1 0.919 ppm2 2.477 CV 1 ASSI { 2183} (( segid "RN14" and resid 642 and name HA )) (( segid "RN14" and resid 642 and name HB )) 2.900 1.000 1.000 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.17518E-02 ppm1 5.001 ppm2 1.978 CV 1 ASSI { 2186} (( segid "RN14" and resid 642 and name HA )) (( segid "RN14" and resid 643 and name HD1 )) 2.400 0.700 0.700 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.25537E-02 ppm1 4.993 ppm2 3.929 CV 1 ASSI { 2187} (( segid "RN14" and resid 642 and name HA )) (( segid "RN14" and resid 643 and name HD2 )) 3.000 1.100 1.100 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.15053E-02 ppm1 5.000 ppm2 3.405 CV 1 ASSI { 2189} (( segid "RN14" and resid 642 and name HB )) (( segid "RN14" and resid 643 and name HD1 )) 3.600 1.600 1.600 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.15388E-02 ppm1 1.977 ppm2 3.915 CV 1 ASSI { 2190} ( segid "RN14" and resid 642 and name HD1%) (( segid "RN15" and resid 204 and name HA )) 3.600 1.600 1.600 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.81452E-03 ppm1 0.548 ppm2 3.216 CV 1 ASSI { 2191} ( segid "RN14" and resid 642 and name HD1%) (( segid "RN15" and resid 204 and name HB1 )) 3.900 1.900 1.900 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.24529E-02 ppm1 0.552 ppm2 1.907 CV 1 ASSI { 2192} ( segid "RN14" and resid 642 and name HD1%) (( segid "RN15" and resid 204 and name HG1 )) 2.400 0.700 0.700 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.22486E-02 ppm1 0.547 ppm2 2.850 CV 1 ASSI { 2193} ( segid "RN14" and resid 642 and name HD1%) (( segid "RN15" and resid 205 and name HA )) 3.300 1.300 1.300 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.14153E-02 ppm1 0.550 ppm2 4.061 CV 1 ASSI { 2194} ( segid "RN14" and resid 642 and name HD1%) (( segid "RN15" and resid 208 and name HB )) 2.900 1.000 1.000 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.20216E-02 ppm1 0.547 ppm2 2.102 CV 1 ASSI { 2196} ( segid "RN14" and resid 642 and name HD1%) ( segid "RN14" and resid 638 and name HD1%) 3.000 1.100 1.100 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.52853E-02 ppm1 0.552 ppm2 0.446 CV 1 ASSI { 2197} ( segid "RN14" and resid 642 and name HD1%) (( segid "RN14" and resid 639 and name HA )) 2.500 0.800 0.800 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.33617E-02 ppm1 0.546 ppm2 3.825 CV 1 ASSI { 2198} ( segid "RN14" and resid 642 and name HD1%) (( segid "RN14" and resid 642 and name HA )) 4.200 2.200 1.800 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.18475E-02 ppm1 0.548 ppm2 5.003 CV 1 ASSI { 2199} ( segid "RN14" and resid 642 and name HD1%) ( segid "RN14" and resid 642 and name HG2%) 1.900 0.400 0.400 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.11218E-01 ppm1 0.547 ppm2 0.880 CV 1 ASSI { 2203} ( segid "RN14" and resid 642 and name HG2%) (( segid "RN15" and resid 165 and name HA )) 2.600 0.900 0.900 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.19083E-02 ppm1 0.877 ppm2 3.627 CV 1 ASSI { 2204} ( segid "RN14" and resid 642 and name HG2%) (( segid "RN15" and resid 168 and name HG1 )) 3.800 1.800 1.800 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.68446E-03 ppm1 0.881 ppm2 2.375 CV 1 OR { 2204} ( segid "RN14" and resid 642 and name HG2%) (( segid "RN15" and resid 168 and name HG2 )) ASSI { 2205} ( segid "RN14" and resid 642 and name HG2%) (( segid "RN15" and resid 204 and name HG1 )) 5.500 3.700 0.500 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.54535E-03 ppm1 0.885 ppm2 2.848 CV 1 ASSI { 2206} ( segid "RN14" and resid 642 and name HG2%) (( segid "RN14" and resid 639 and name HA )) 4.800 2.800 1.200 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.13095E-02 ppm1 0.868 ppm2 3.826 CV 1 ASSI { 2207} ( segid "RN14" and resid 642 and name HG2%) (( segid "RN14" and resid 642 and name HA )) 2.300 0.700 0.700 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.46093E-02 ppm1 0.870 ppm2 5.000 CV 1 ASSI { 2209} ( segid "RN14" and resid 642 and name HG2%) (( segid "RN14" and resid 642 and name HG11)) 3.400 1.500 1.500 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.22909E-02 ppm1 0.887 ppm2 1.728 CV 1 ASSI { 2210} ( segid "RN14" and resid 642 and name HG2%) (( segid "RN14" and resid 642 and name HG12)) 2.600 0.800 0.800 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.30045E-02 ppm1 0.872 ppm2 1.353 CV 1 ASSI { 2211} ( segid "RN14" and resid 642 and name HG2%) (( segid "RN14" and resid 643 and name HD1 )) 3.300 1.300 1.300 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.23139E-02 ppm1 0.880 ppm2 3.924 CV 1 ASSI { 2212} ( segid "RN14" and resid 642 and name HG2%) (( segid "RN14" and resid 643 and name HD2 )) 2.900 1.100 1.100 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.18503E-02 ppm1 0.877 ppm2 3.407 CV 1 ASSI { 2213} ( segid "RN14" and resid 642 and name HG2%) (( segid "RN14" and resid 648 and name HZ )) 5.100 3.200 0.900 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.37529E-03 ppm1 0.888 ppm2 6.690 CV 1 ASSI { 2217} (( segid "RN14" and resid 643 and name HA )) (( segid "RN15" and resid 152 and name HG11)) 3.700 1.700 1.700 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.16312E-02 ppm1 4.852 ppm2 0.935 CV 1 ASSI { 2218} (( segid "RN14" and resid 643 and name HA )) (( segid "RN15" and resid 152 and name HG12)) 4.300 2.300 1.700 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.11114E-02 ppm1 4.856 ppm2 0.402 CV 1 ASSI { 2219} (( segid "RN14" and resid 643 and name HA )) ( segid "RN15" and resid 152 and name HG2%) 2.900 2.900 3.100 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.94892E-03 ppm1 4.845 ppm2 0.839 CV 1 ASSI { 2220} (( segid "RN14" and resid 643 and name HA )) ( segid "RN15" and resid 154 and name HG2%) 3.300 1.400 1.400 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.74906E-03 ppm1 4.852 ppm2 0.177 CV 1 ASSI { 2222} (( segid "RN14" and resid 643 and name HA )) (( segid "RN14" and resid 643 and name HB1 )) 2.400 0.800 0.800 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.19328E-02 ppm1 4.852 ppm2 2.142 CV 1 ASSI { 2223} (( segid "RN14" and resid 643 and name HA )) (( segid "RN14" and resid 643 and name HB2 )) 3.200 1.300 1.300 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.14782E-02 ppm1 4.853 ppm2 2.077 CV 1 ASSI { 2224} (( segid "RN14" and resid 643 and name HA )) (( segid "RN14" and resid 643 and name HG1 )) 3.300 1.400 1.400 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.12533E-02 ppm1 4.849 ppm2 2.036 CV 1 ASSI { 2225} (( segid "RN14" and resid 643 and name HA )) (( segid "RN14" and resid 643 and name HG2 )) 4.300 2.300 1.700 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.69531E-03 ppm1 4.853 ppm2 1.594 CV 1 ASSI { 2226} (( segid "RN14" and resid 643 and name HA )) ( segid "RN14" and resid 647 and name HD% ) 4.900 3.000 1.100 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.34116E-03 ppm1 4.848 ppm2 7.469 CV 1 ASSI { 2227} (( segid "RN14" and resid 643 and name HA )) ( segid "RN14" and resid 647 and name HE% ) 4.900 3.000 1.100 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.34606E-03 ppm1 4.837 ppm2 7.055 CV 1 ASSI { 2229} (( segid "RN14" and resid 643 and name HB1 )) ( segid "RN14" and resid 647 and name HD% ) 3.000 1.100 1.100 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.87403E-03 ppm1 2.114 ppm2 7.466 CV 1 ASSI { 2230} (( segid "RN14" and resid 643 and name HB1 )) ( segid "RN14" and resid 647 and name HE% ) 5.000 3.100 1.000 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.31494E-03 ppm1 2.121 ppm2 7.076 CV 1 ASSI { 2231} (( segid "RN14" and resid 643 and name HB2 )) ( segid "RN14" and resid 648 and name HE% ) 3.100 1.200 1.200 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.66464E-03 ppm1 2.090 ppm2 6.875 CV 1 ASSI { 2232} (( segid "RN14" and resid 643 and name HB2 )) (( segid "RN14" and resid 648 and name HZ )) 4.300 2.300 1.700 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.47730E-03 ppm1 2.085 ppm2 6.686 CV 1 ASSI { 2234} (( segid "RN14" and resid 643 and name HD1 )) ( segid "RN15" and resid 165 and name HG2%) 5.300 3.500 0.700 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.11741E-02 ppm1 3.926 ppm2 0.881 CV 1 ASSI { 2236} (( segid "RN14" and resid 643 and name HD1 )) ( segid "RN14" and resid 642 and name HD1%) 6.000 5.200 0.000 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.31597E-03 ppm1 3.931 ppm2 0.537 CV 1 ASSI { 2237} (( segid "RN14" and resid 643 and name HD1 )) (( segid "RN14" and resid 643 and name HD2 )) 2.000 0.500 0.500 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.17151E-02 ppm1 3.925 ppm2 3.404 CV 1 ASSI { 2238} (( segid "RN14" and resid 643 and name HD1 )) (( segid "RN14" and resid 643 and name HG1 )) 2.600 0.900 0.900 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.10754E-02 ppm1 3.928 ppm2 2.018 CV 1 ASSI { 2239} (( segid "RN14" and resid 643 and name HD1 )) (( segid "RN14" and resid 643 and name HG2 )) 3.500 1.500 1.500 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.58638E-03 ppm1 3.926 ppm2 1.607 CV 1 ASSI { 2241} (( segid "RN14" and resid 643 and name HD2 )) ( segid "RN15" and resid 154 and name HG2%) 5.800 4.200 0.200 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.23320E-03 ppm1 3.402 ppm2 0.189 CV 1 ASSI { 2242} (( segid "RN14" and resid 643 and name HD2 )) ( segid "RN15" and resid 165 and name HG2%) 4.200 2.200 1.800 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.14720E-02 ppm1 3.407 ppm2 0.882 CV 1 ASSI { 2244} (( segid "RN14" and resid 643 and name HD2 )) ( segid "RN14" and resid 642 and name HD1%) 5.500 3.700 0.500 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.29706E-03 ppm1 3.408 ppm2 0.542 CV 1 ASSI { 2245} (( segid "RN14" and resid 643 and name HD2 )) (( segid "RN14" and resid 643 and name HG1 )) 2.900 1.000 1.000 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.21987E-02 ppm1 3.403 ppm2 2.002 CV 1 ASSI { 2246} (( segid "RN14" and resid 643 and name HD2 )) (( segid "RN14" and resid 643 and name HG2 )) 2.800 1.000 1.000 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.59044E-03 ppm1 3.409 ppm2 1.597 CV 1 ASSI { 2247} (( segid "RN14" and resid 643 and name HD2 )) ( segid "RN14" and resid 648 and name HE% ) 4.700 2.800 1.300 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.31539E-03 ppm1 3.419 ppm2 6.919 CV 1 ASSI { 2250} (( segid "RN14" and resid 643 and name HG2 )) ( segid "RN15" and resid 154 and name HG2%) 4.800 2.800 1.200 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.63219E-03 ppm1 1.589 ppm2 0.182 CV 1 ASSI { 2251} (( segid "RN14" and resid 644 and name HA )) (( segid "RN14" and resid 644 and name HB1 )) 2.600 0.900 0.900 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.24798E-02 ppm1 4.522 ppm2 2.394 CV 1 ASSI { 2252} (( segid "RN14" and resid 644 and name HA )) (( segid "RN14" and resid 644 and name HB2 )) 3.200 1.300 1.300 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.21986E-02 ppm1 4.513 ppm2 1.760 CV 1 ASSI { 2255} (( segid "RN14" and resid 644 and name HB1 )) ( segid "RN14" and resid 647 and name HD% ) 5.400 3.600 0.600 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.49225E-03 ppm1 2.387 ppm2 7.465 CV 1 ASSI { 2256} (( segid "RN14" and resid 644 and name HB1 )) ( segid "RN14" and resid 647 and name HE% ) 5.000 3.100 1.000 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.69811E-03 ppm1 2.381 ppm2 7.075 CV 1 ASSI { 2259} (( segid "RN14" and resid 644 and name HB2 )) ( segid "RN14" and resid 647 and name HE% ) 3.500 1.500 1.500 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.10945E-02 ppm1 1.762 ppm2 7.072 CV 1 ASSI { 2260} (( segid "RN14" and resid 644 and name HD1 )) (( segid "RN15" and resid 153 and name HA )) 4.300 2.300 1.700 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.74032E-03 ppm1 1.685 ppm2 5.052 CV 1 OR { 2260} (( segid "RN14" and resid 644 and name HD2 )) (( segid "RN15" and resid 153 and name HA )) ASSI { 2261} (( segid "RN14" and resid 644 and name HD1 )) (( segid "RN14" and resid 644 and name HB1 )) 2.900 1.100 1.100 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.23042E-02 ppm1 1.683 ppm2 2.391 CV 1 OR { 2261} (( segid "RN14" and resid 644 and name HD2 )) (( segid "RN14" and resid 644 and name HB1 )) ASSI { 2262} (( segid "RN14" and resid 644 and name HD1 )) (( segid "RN14" and resid 644 and name HE1 )) 2.700 0.900 0.900 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.38650E-02 ppm1 1.688 ppm2 2.850 CV 1 OR { 2262} (( segid "RN14" and resid 644 and name HD2 )) (( segid "RN14" and resid 644 and name HE1 )) ASSI { 2263} (( segid "RN14" and resid 644 and name HD2 )) (( segid "RN14" and resid 644 and name HE2 )) 2.800 1.000 1.000 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.31532E-02 ppm1 1.682 ppm2 2.708 CV 1 OR { 2263} (( segid "RN14" and resid 644 and name HD1 )) (( segid "RN14" and resid 644 and name HE2 )) ASSI { 2264} (( segid "RN14" and resid 644 and name HD1 )) (( segid "RN14" and resid 644 and name HG1 )) 2.900 1.000 1.000 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.28331E-02 ppm1 1.687 ppm2 1.360 CV 1 OR { 2264} (( segid "RN14" and resid 644 and name HD2 )) (( segid "RN14" and resid 644 and name HG1 )) ASSI { 2265} (( segid "RN14" and resid 644 and name HD1 )) ( segid "RN14" and resid 647 and name HE% ) 3.800 1.800 1.800 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.16395E-02 ppm1 1.687 ppm2 7.070 CV 1 OR { 2265} (( segid "RN14" and resid 644 and name HD2 )) ( segid "RN14" and resid 647 and name HE% ) ASSI { 2266} (( segid "RN14" and resid 644 and name HE1 )) (( segid "RN14" and resid 644 and name HA )) 4.800 2.900 1.200 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.10597E-02 ppm1 2.852 ppm2 4.511 CV 1 ASSI { 2267} (( segid "RN14" and resid 644 and name HE1 )) (( segid "RN14" and resid 644 and name HG1 )) 3.500 1.500 1.500 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.11802E-02 ppm1 2.850 ppm2 1.372 CV 1 ASSI { 2268} (( segid "RN14" and resid 644 and name HE2 )) (( segid "RN14" and resid 644 and name HA )) 5.100 3.200 0.900 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.70799E-03 ppm1 2.704 ppm2 4.513 CV 1 ASSI { 2270} (( segid "RN14" and resid 644 and name HG1 )) (( segid "RN14" and resid 644 and name HA )) 4.100 2.100 1.900 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.68771E-03 ppm1 1.362 ppm2 4.506 CV 1 ASSI { 2271} (( segid "RN14" and resid 644 and name HG1 )) (( segid "RN14" and resid 644 and name HE2 )) 3.300 1.300 1.300 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.17633E-02 ppm1 1.367 ppm2 2.702 CV 1 ASSI { 2272} (( segid "RN14" and resid 644 and name HG1 )) ( segid "RN14" and resid 647 and name HE% ) 3.800 1.800 1.800 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.46976E-03 ppm1 1.355 ppm2 7.063 CV 1 ASSI { 2273} (( segid "RN14" and resid 644 and name HG2 )) (( segid "RN14" and resid 644 and name HA )) 3.000 1.100 1.100 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.14669E-02 ppm1 1.658 ppm2 4.511 CV 1 ASSI { 2274} (( segid "RN14" and resid 644 and name HG2 )) ( segid "RN14" and resid 647 and name HE% ) 4.700 2.800 1.300 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.69240E-03 ppm1 1.659 ppm2 7.072 CV 1 ASSI { 2275} (( segid "RN14" and resid 645 and name HA )) (( segid "RN14" and resid 645 and name HB1 )) 2.500 0.800 0.800 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.33276E-02 ppm1 4.382 ppm2 2.293 CV 1 ASSI { 2276} (( segid "RN14" and resid 645 and name HA )) (( segid "RN14" and resid 645 and name HB2 )) 2.600 0.900 0.900 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.27315E-02 ppm1 4.384 ppm2 2.213 CV 1 ASSI { 2277} (( segid "RN14" and resid 645 and name HA )) (( segid "RN14" and resid 645 and name HD1 )) 5.500 3.800 0.500 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.58610E-03 ppm1 4.382 ppm2 3.458 CV 1 ASSI { 2278} (( segid "RN14" and resid 645 and name HA )) (( segid "RN14" and resid 645 and name HD2 )) 5.000 3.200 1.000 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.65652E-03 ppm1 4.379 ppm2 3.477 CV 1 ASSI { 2279} (( segid "RN14" and resid 645 and name HA )) (( segid "RN14" and resid 645 and name HG1 )) 4.100 2.100 1.900 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.11271E-02 ppm1 4.374 ppm2 1.895 CV 1 ASSI { 2280} (( segid "RN14" and resid 645 and name HA )) (( segid "RN14" and resid 645 and name HG2 )) 4.300 2.300 1.700 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.75454E-03 ppm1 4.380 ppm2 1.706 CV 1 ASSI { 2281} (( segid "RN14" and resid 645 and name HA )) ( segid "RN14" and resid 648 and name HD% ) 2.700 0.900 0.900 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.24083E-02 ppm1 4.384 ppm2 7.188 CV 1 ASSI { 2282} (( segid "RN14" and resid 645 and name HD1 )) (( segid "RN14" and resid 645 and name HB1 )) 2.800 1.000 1.000 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.24174E-02 ppm1 3.471 ppm2 2.295 CV 1 OR { 2282} (( segid "RN14" and resid 645 and name HD2 )) (( segid "RN14" and resid 645 and name HB1 )) ASSI { 2283} (( segid "RN14" and resid 645 and name HD1 )) (( segid "RN14" and resid 645 and name HB2 )) 3.100 1.200 1.200 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.29285E-02 ppm1 3.470 ppm2 2.212 CV 1 OR { 2283} (( segid "RN14" and resid 645 and name HD2 )) (( segid "RN14" and resid 645 and name HB2 )) ASSI { 2284} (( segid "RN14" and resid 645 and name HD2 )) (( segid "RN14" and resid 645 and name HG1 )) 2.600 0.800 0.800 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.50990E-02 ppm1 3.466 ppm2 1.893 CV 1 OR { 2284} (( segid "RN14" and resid 645 and name HD1 )) (( segid "RN14" and resid 645 and name HG1 )) ASSI { 2285} (( segid "RN14" and resid 645 and name HD2 )) (( segid "RN14" and resid 645 and name HG2 )) 2.500 0.800 0.800 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.40444E-02 ppm1 3.467 ppm2 1.704 CV 1 OR { 2285} (( segid "RN14" and resid 645 and name HD1 )) (( segid "RN14" and resid 645 and name HG2 )) ASSI { 2286} (( segid "RN14" and resid 645 and name HG1 )) (( segid "RN14" and resid 645 and name HD1 )) 2.700 0.900 0.900 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.32414E-02 ppm1 1.901 ppm2 3.443 CV 1 ASSI { 2287} (( segid "RN14" and resid 645 and name HG1 )) (( segid "RN14" and resid 645 and name HD2 )) 3.000 1.100 1.100 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.30042E-02 ppm1 1.901 ppm2 3.488 CV 1 ASSI { 2288} (( segid "RN14" and resid 645 and name HG2 )) (( segid "RN14" and resid 645 and name HD1 )) 2.600 0.800 0.800 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.27270E-02 ppm1 1.709 ppm2 3.447 CV 1 ASSI { 2289} (( segid "RN14" and resid 645 and name HG2 )) (( segid "RN14" and resid 645 and name HD2 )) 2.900 1.000 1.000 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.22053E-02 ppm1 1.709 ppm2 3.485 CV 1 ASSI { 2290} (( segid "RN14" and resid 646 and name HB1 )) (( segid "RN14" and resid 646 and name HA )) 2.500 0.800 0.800 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.87797E-02 ppm1 1.901 ppm2 4.192 CV 1 OR { 2290} (( segid "RN14" and resid 646 and name HB2 )) (( segid "RN14" and resid 646 and name HA )) ASSI { 2291} (( segid "RN14" and resid 646 and name HG1 )) ( segid "RN14" and resid 647 and name HD% ) 4.700 2.700 1.300 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.65081E-03 ppm1 1.768 ppm2 7.468 CV 1 ASSI { 2292} (( segid "RN14" and resid 646 and name HG1 )) ( segid "RN14" and resid 647 and name HE% ) 4.500 2.500 1.500 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.54852E-03 ppm1 1.760 ppm2 7.076 CV 1 ASSI { 2293} (( segid "RN14" and resid 646 and name HG2 )) (( segid "RN14" and resid 646 and name HA )) 3.200 1.300 1.300 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.26592E-02 ppm1 1.627 ppm2 4.188 CV 1 ASSI { 2294} (( segid "RN14" and resid 646 and name HG2 )) ( segid "RN14" and resid 647 and name HE% ) 5.300 3.500 0.700 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.34493E-03 ppm1 1.630 ppm2 7.071 CV 1 ASSI { 2295} (( segid "RN14" and resid 647 and name HA )) (( segid "RN14" and resid 647 and name HB1 )) 2.800 1.000 1.000 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.19625E-02 ppm1 4.172 ppm2 2.722 CV 1 ASSI { 2296} (( segid "RN14" and resid 647 and name HA )) ( segid "RN14" and resid 647 and name HD% ) 2.800 1.000 1.000 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.25642E-02 ppm1 4.171 ppm2 7.466 CV 1 ASSI { 2302} (( segid "RN14" and resid 647 and name HB2 )) (( segid "RN14" and resid 647 and name HB1 )) 2.100 0.600 0.600 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.20098E-02 ppm1 2.356 ppm2 2.730 CV 1 ASSI { 2304} ( segid "RN14" and resid 647 and name HD% ) (( segid "RN14" and resid 644 and name HB2 )) 3.200 1.300 1.300 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.12395E-02 ppm1 7.465 ppm2 1.758 CV 1 ASSI { 2308} ( segid "RN14" and resid 647 and name HD% ) (( segid "RN14" and resid 644 and name HG2 )) 4.700 2.700 1.300 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.59141E-03 ppm1 7.462 ppm2 1.637 CV 1 ASSI { 2311} ( segid "RN14" and resid 647 and name HD% ) (( segid "RN14" and resid 643 and name HB2 )) 3.900 1.900 1.900 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.53619E-03 ppm1 7.472 ppm2 2.069 CV 1 ASSI { 2315} ( segid "RN14" and resid 647 and name HD% ) (( segid "RN14" and resid 647 and name HB1 )) 3.200 1.200 1.200 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.14851E-02 ppm1 7.461 ppm2 2.722 CV 1 ASSI { 2316} ( segid "RN14" and resid 647 and name HD% ) (( segid "RN14" and resid 647 and name HB2 )) 2.800 1.000 1.000 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.15726E-02 ppm1 7.468 ppm2 2.365 CV 1 ASSI { 2322} ( segid "RN14" and resid 647 and name HE% ) (( segid "RN15" and resid 153 and name HB2 )) 3.000 3.000 3.000 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.76237E-03 ppm1 7.071 ppm2 2.414 CV 1 ASSI { 2326} ( segid "RN14" and resid 647 and name HE% ) (( segid "RN14" and resid 647 and name HA )) 3.300 1.300 1.300 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.43030E-03 ppm1 7.076 ppm2 4.170 CV 1 ASSI { 2327} ( segid "RN14" and resid 647 and name HE% ) (( segid "RN14" and resid 647 and name HB1 )) 2.800 2.800 3.200 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.11564E-02 ppm1 7.069 ppm2 2.709 CV 1 ASSI { 2328} ( segid "RN14" and resid 647 and name HE% ) (( segid "RN14" and resid 647 and name HB2 )) 4.700 2.700 1.300 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.75300E-03 ppm1 7.072 ppm2 2.364 CV 1 ASSI { 2329} ( segid "RN14" and resid 647 and name HE% ) ( segid "RN14" and resid 647 and name HD% ) 2.400 0.700 0.700 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.55830E-02 ppm1 7.070 ppm2 7.466 CV 1 ASSI { 2331} (( segid "RN14" and resid 648 and name HA )) (( segid "RN14" and resid 648 and name HB1 )) 2.800 1.000 1.000 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.27923E-02 ppm1 4.679 ppm2 3.192 CV 1 ASSI { 2332} (( segid "RN14" and resid 648 and name HA )) (( segid "RN14" and resid 648 and name HB2 )) 3.300 1.400 1.400 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.22032E-02 ppm1 4.678 ppm2 2.913 CV 1 ASSI { 2333} (( segid "RN14" and resid 648 and name HA )) ( segid "RN14" and resid 648 and name HD% ) 3.400 1.500 1.500 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.23515E-02 ppm1 4.683 ppm2 7.188 CV 1 ASSI { 2338} ( segid "RN14" and resid 648 and name HD% ) (( segid "RN14" and resid 647 and name HB2 )) 3.700 1.700 1.700 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.38247E-03 ppm1 7.188 ppm2 2.351 CV 1 ASSI { 2341} ( segid "RN14" and resid 648 and name HD% ) (( segid "RN14" and resid 648 and name HB1 )) 2.800 1.000 1.000 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.26636E-02 ppm1 7.195 ppm2 3.194 CV 1 ASSI { 2342} ( segid "RN14" and resid 648 and name HD% ) (( segid "RN14" and resid 648 and name HB2 )) 3.100 1.200 1.200 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.21247E-02 ppm1 7.195 ppm2 2.917 CV 1 ASSI { 2350} ( segid "RN14" and resid 648 and name HE% ) ( segid "RN14" and resid 648 and name HD% ) 2.400 0.700 0.700 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.52308E-02 ppm1 6.904 ppm2 7.184 CV 1 ASSI { 2351} ( segid "RN14" and resid 648 and name HE% ) (( segid "RN14" and resid 648 and name HZ )) 2.600 0.900 0.900 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.35490E-02 ppm1 6.902 ppm2 6.688 CV 1 ASSI { 2354} (( segid "RN14" and resid 648 and name HZ )) (( segid "RN15" and resid 161 and name HB1 )) 3.400 3.400 2.600 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.31643E-03 ppm1 6.683 ppm2 1.556 CV 1 ASSI { 2355} (( segid "RN14" and resid 648 and name HZ )) (( segid "RN15" and resid 161 and name HB2 )) 3.300 3.300 2.700 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.40576E-03 ppm1 6.688 ppm2 1.620 CV 1 ASSI { 2360} (( segid "RN14" and resid 648 and name HZ )) ( segid "RN14" and resid 648 and name HD% ) 4.500 2.500 1.500 peak 2360 spectrum 1 weight 0.10000E+01 volume 0.82274E-03 ppm1 6.683 ppm2 7.181 CV 1 ASSI { 2365} (( segid "RN14" and resid 649 and name HB1 )) (( segid "RN14" and resid 649 and name HA )) 2.400 0.700 0.700 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.12874E-01 ppm1 2.882 ppm2 4.938 CV 1 OR { 2365} (( segid "RN14" and resid 649 and name HB2 )) (( segid "RN14" and resid 649 and name HA )) ASSI { 2367} (( segid "RN14" and resid 650 and name HA )) ( segid "RN14" and resid 650 and name HG2%) 3.300 1.400 1.400 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.61323E-02 ppm1 4.583 ppm2 1.255 CV 1 ASSI { 2368} ( segid "RN14" and resid 650 and name HG2%) (( segid "RN14" and resid 648 and name HB1 )) 3.400 3.400 2.600 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.28089E-02 ppm1 1.239 ppm2 3.187 CV 1 ASSI { 2369} (( segid "RN14" and resid 651 and name HA )) (( segid "RN14" and resid 651 and name HB1 )) 2.500 0.800 0.800 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.63402E-02 ppm1 4.644 ppm2 3.016 CV 1 ASSI { 2372} (( segid "RN14" and resid 651 and name HB1 )) (( segid "RN14" and resid 651 and name HB2 )) 1.600 0.300 0.600 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.26077E-01 ppm1 3.038 ppm2 2.904 CV 1 ASSI { 2373} (( segid "RN14" and resid 651 and name HB2 )) (( segid "RN14" and resid 651 and name HA )) 2.900 1.100 1.100 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.70108E-02 ppm1 2.890 ppm2 4.649 CV 1 ASSI { 2375} (( segid "RN14" and resid 652 and name HA )) ( segid "RN14" and resid 652 and name HD2%) 2.500 0.800 0.800 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.52897E-02 ppm1 4.338 ppm2 0.963 CV 1 OR { 2375} (( segid "RN14" and resid 652 and name HA )) ( segid "RN14" and resid 652 and name HD1%) ASSI { 2376} (( segid "RN14" and resid 652 and name HA )) (( segid "RN14" and resid 652 and name HG )) 2.800 1.000 1.000 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.63316E-02 ppm1 4.340 ppm2 1.578 CV 1 ASSI { 2377} (( segid "RN14" and resid 652 and name HB1 )) (( segid "RN14" and resid 652 and name HA )) 2.500 0.800 0.800 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.47976E-02 ppm1 1.630 ppm2 4.341 CV 1 OR { 2377} (( segid "RN14" and resid 652 and name HB2 )) (( segid "RN14" and resid 652 and name HA )) ASSI { 2378} ( segid "RN14" and resid 652 and name HD1%) (( segid "RN14" and resid 652 and name HG )) 2.100 0.600 0.600 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.20963E-01 ppm1 0.993 ppm2 1.595 CV 1 OR { 2378} ( segid "RN14" and resid 652 and name HD1%) (( segid "RN14" and resid 652 and name HB1 )) OR { 2378} ( segid "RN14" and resid 652 and name HD1%) (( segid "RN14" and resid 652 and name HB2 )) ASSI { 2380} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN14" and resid 652 and name HG )) 2.200 0.600 0.600 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.17354E-01 ppm1 0.942 ppm2 1.592 CV 1 OR { 2380} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN14" and resid 652 and name HB1 )) OR { 2380} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN14" and resid 652 and name HB2 )) ASSI { 2381} (( segid "RN14" and resid 653 and name HA )) (( segid "RN14" and resid 653 and name HB1 )) 2.300 0.700 0.700 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.34105E-02 ppm1 4.442 ppm2 1.531 CV 1 OR { 2381} (( segid "RN14" and resid 653 and name HA )) (( segid "RN14" and resid 653 and name HG )) ASSI { 2382} (( segid "RN14" and resid 653 and name HA )) (( segid "RN14" and resid 653 and name HB1 )) 2.100 0.600 0.600 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.42442E-02 ppm1 4.440 ppm2 1.493 CV 1 ASSI { 2383} (( segid "RN14" and resid 653 and name HA )) (( segid "RN14" and resid 653 and name HB2 )) 2.800 1.000 1.000 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.27546E-02 ppm1 4.438 ppm2 1.093 CV 1 ASSI { 2386} (( segid "RN14" and resid 653 and name HB1 )) (( segid "RN14" and resid 653 and name HB2 )) 1.600 0.300 0.600 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.57502E-02 ppm1 1.503 ppm2 1.090 CV 1 ASSI { 2387} (( segid "RN14" and resid 653 and name HB2 )) (( segid "RN14" and resid 653 and name HB1 )) 1.700 0.400 0.500 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.63351E-02 ppm1 1.098 ppm2 1.512 CV 1 OR { 2387} (( segid "RN14" and resid 653 and name HB2 )) (( segid "RN14" and resid 653 and name HG )) ASSI { 2388} (( segid "RN14" and resid 653 and name HB2 )) ( segid "RN14" and resid 653 and name HD1%) 2.400 0.700 0.700 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.35816E-02 ppm1 1.103 ppm2 0.668 CV 1 ASSI { 2389} ( segid "RN14" and resid 653 and name HD1%) (( segid "RN15" and resid 207 and name HA )) 2.400 0.700 0.700 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.24626E-02 ppm1 0.667 ppm2 4.111 CV 1 ASSI { 2391} (( segid "RN14" and resid 653 and name HG )) (( segid "RN14" and resid 653 and name HA )) 3.000 1.100 1.100 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.19283E-02 ppm1 1.530 ppm2 4.437 CV 1 ASSI { 2392} (( segid "RN14" and resid 653 and name HG )) ( segid "RN14" and resid 653 and name HD1%) 1.900 0.500 0.500 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.10004E-01 ppm1 1.514 ppm2 0.669 CV 1 ASSI { 2395} (( segid "RN14" and resid 654 and name HB2 )) (( segid "RN14" and resid 654 and name HB1 )) 2.000 0.500 0.500 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.49996E-02 ppm1 2.740 ppm2 2.364 CV 1 ASSI { 2396} (( segid "RN14" and resid 655 and name HA )) (( segid "RN14" and resid 658 and name HB1 )) 2.500 0.800 0.800 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.20972E-02 ppm1 3.908 ppm2 2.059 CV 1 ASSI { 2399} ( segid "RN14" and resid 655 and name HB% ) (( segid "RN15" and resid 199 and name HB1 )) 2.700 0.900 0.900 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.63333E-02 ppm1 1.580 ppm2 1.890 CV 1 ASSI { 2400} ( segid "RN14" and resid 655 and name HB% ) (( segid "RN15" and resid 199 and name HG )) 3.900 1.900 1.900 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.27273E-02 ppm1 1.578 ppm2 2.008 CV 1 ASSI { 2401} ( segid "RN14" and resid 655 and name HB% ) (( segid "RN15" and resid 200 and name HA )) 2.600 0.800 0.800 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.31356E-02 ppm1 1.578 ppm2 4.123 CV 1 ASSI { 2402} ( segid "RN14" and resid 655 and name HB% ) (( segid "RN15" and resid 200 and name HB2 )) 2.500 0.800 0.800 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.39464E-02 ppm1 1.582 ppm2 2.267 CV 1 ASSI { 2403} ( segid "RN14" and resid 655 and name HB% ) (( segid "RN14" and resid 655 and name HA )) 1.900 0.500 0.500 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.17951E-01 ppm1 1.583 ppm2 3.911 CV 1 ASSI { 2404} ( segid "RN14" and resid 655 and name HB% ) (( segid "RN14" and resid 656 and name HG1 )) 3.200 1.300 1.300 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.40944E-02 ppm1 1.583 ppm2 2.447 CV 1 ASSI { 2406} (( segid "RN14" and resid 656 and name HG1 )) (( segid "RN14" and resid 656 and name HA )) 3.400 1.400 1.400 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.32285E-02 ppm1 2.428 ppm2 3.898 CV 1 ASSI { 2407} (( segid "RN14" and resid 656 and name HG2 )) (( segid "RN14" and resid 656 and name HA )) 2.200 0.600 0.600 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.43924E-02 ppm1 2.338 ppm2 3.894 CV 1 ASSI { 2408} (( segid "RN14" and resid 657 and name HA )) (( segid "RN14" and resid 657 and name HE2 )) 4.400 2.500 1.600 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.13401E-02 ppm1 4.072 ppm2 2.988 CV 1 ASSI { 2410} (( segid "RN14" and resid 657 and name HA )) (( segid "RN14" and resid 657 and name HG1 )) 3.300 1.400 1.400 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.36967E-02 ppm1 4.079 ppm2 1.419 CV 1 ASSI { 2411} (( segid "RN14" and resid 657 and name HA )) (( segid "RN14" and resid 657 and name HG2 )) 3.400 1.400 1.400 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.23354E-02 ppm1 4.080 ppm2 1.699 CV 1 ASSI { 2412} (( segid "RN14" and resid 657 and name HA )) (( segid "RN14" and resid 660 and name HB1 )) 4.000 2.000 2.000 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.25477E-02 ppm1 4.082 ppm2 2.839 CV 1 ASSI { 2413} (( segid "RN14" and resid 657 and name HA )) (( segid "RN14" and resid 660 and name HB2 )) 3.000 1.100 1.100 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.16398E-02 ppm1 4.080 ppm2 2.938 CV 1 ASSI { 2416} (( segid "RN14" and resid 657 and name HD1 )) (( segid "RN14" and resid 657 and name HE2 )) 2.500 0.800 0.800 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.70393E-02 ppm1 1.818 ppm2 2.989 CV 1 OR { 2416} (( segid "RN14" and resid 657 and name HD2 )) (( segid "RN14" and resid 657 and name HE1 )) OR { 2416} (( segid "RN14" and resid 657 and name HD1 )) (( segid "RN14" and resid 657 and name HE1 )) OR { 2416} (( segid "RN14" and resid 657 and name HD2 )) (( segid "RN14" and resid 657 and name HE2 )) ASSI { 2419} (( segid "RN14" and resid 657 and name HG1 )) (( segid "RN14" and resid 657 and name HE2 )) 2.700 0.900 0.900 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.40098E-02 ppm1 1.422 ppm2 2.989 CV 1 OR { 2419} (( segid "RN14" and resid 657 and name HG1 )) (( segid "RN14" and resid 657 and name HE1 )) ASSI { 2421} (( segid "RN14" and resid 657 and name HG2 )) (( segid "RN14" and resid 657 and name HE1 )) 2.900 1.100 1.100 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.38324E-02 ppm1 1.698 ppm2 2.989 CV 1 OR { 2421} (( segid "RN14" and resid 657 and name HG2 )) (( segid "RN14" and resid 657 and name HE2 )) ASSI { 2422} (( segid "RN14" and resid 658 and name HA )) ( segid "RN15" and resid 227 and name HD1%) 3.500 1.500 1.500 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.22648E-02 ppm1 4.265 ppm2 0.379 CV 1 ASSI { 2423} (( segid "RN14" and resid 658 and name HA )) (( segid "RN14" and resid 661 and name HB1 )) 1.900 0.400 0.400 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.27495E-02 ppm1 4.267 ppm2 3.222 CV 1 ASSI { 2424} (( segid "RN14" and resid 658 and name HA )) (( segid "RN14" and resid 658 and name HB2 )) 2.200 0.600 0.600 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.22303E-02 ppm1 4.261 ppm2 1.380 CV 1 ASSI { 2425} (( segid "RN14" and resid 658 and name HA )) ( segid "RN14" and resid 659 and name HG1%) 3.700 3.700 2.300 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.32927E-02 ppm1 4.263 ppm2 0.938 CV 1 ASSI { 2426} (( segid "RN14" and resid 658 and name HB2 )) (( segid "RN14" and resid 658 and name HB1 )) 1.600 0.300 0.600 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.38683E-02 ppm1 1.378 ppm2 2.063 CV 1 ASSI { 2427} ( segid "RN14" and resid 658 and name HD1%) (( segid "RN14" and resid 658 and name HB1 )) 3.200 1.300 1.300 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.42341E-02 ppm1 0.953 ppm2 2.049 CV 1 ASSI { 2428} ( segid "RN14" and resid 658 and name HD1%) (( segid "RN14" and resid 658 and name HB2 )) 2.200 0.600 0.600 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.65201E-02 ppm1 0.957 ppm2 1.368 CV 1 ASSI { 2429} ( segid "RN14" and resid 658 and name HD2%) (( segid "RN14" and resid 655 and name HA )) 3.400 1.400 1.400 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.17823E-02 ppm1 1.054 ppm2 3.912 CV 1 ASSI { 2430} ( segid "RN14" and resid 658 and name HD2%) (( segid "RN14" and resid 658 and name HB2 )) 2.200 0.600 0.600 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.71273E-02 ppm1 1.060 ppm2 1.375 CV 1 ASSI { 2431} ( segid "RN14" and resid 658 and name HD2%) (( segid "RN14" and resid 658 and name HG )) 2.100 0.500 0.500 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.88015E-02 ppm1 1.060 ppm2 1.627 CV 1 ASSI { 2432} (( segid "RN14" and resid 658 and name HG )) (( segid "RN14" and resid 658 and name HB1 )) 2.400 0.700 0.700 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.29025E-02 ppm1 1.610 ppm2 2.057 CV 1 ASSI { 2434} (( segid "RN14" and resid 659 and name HA )) (( segid "RN14" and resid 659 and name HB )) 2.800 1.000 1.000 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.26628E-02 ppm1 3.300 ppm2 2.163 CV 1 ASSI { 2438} ( segid "RN14" and resid 659 and name HG1%) (( segid "RN15" and resid 188 and name HB )) 3.100 1.200 1.200 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.54702E-02 ppm1 0.917 ppm2 3.822 CV 1 ASSI { 2440} ( segid "RN14" and resid 659 and name HG1%) (( segid "RN14" and resid 659 and name HA )) 2.500 0.800 0.800 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.80126E-02 ppm1 0.928 ppm2 3.301 CV 1 ASSI { 2441} ( segid "RN14" and resid 659 and name HG1%) (( segid "RN14" and resid 659 and name HB )) 2.000 0.500 0.500 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.12601E-01 ppm1 0.920 ppm2 2.163 CV 1 ASSI { 2442} ( segid "RN14" and resid 659 and name HG1%) (( segid "RN14" and resid 660 and name HA )) 3.200 1.200 1.200 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.18732E-02 ppm1 0.919 ppm2 4.368 CV 1 ASSI { 2443} ( segid "RN14" and resid 659 and name HG2%) (( segid "RN14" and resid 659 and name HA )) 2.100 0.500 0.500 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.10398E-01 ppm1 0.999 ppm2 3.301 CV 1 ASSI { 2444} ( segid "RN14" and resid 659 and name HG2%) (( segid "RN14" and resid 659 and name HB )) 1.900 0.400 0.400 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.13921E-01 ppm1 1.007 ppm2 2.153 CV 1 ASSI { 2445} (( segid "RN14" and resid 660 and name HB1 )) (( segid "RN14" and resid 660 and name HA )) 2.600 0.800 0.800 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.49166E-02 ppm1 2.843 ppm2 4.366 CV 1 ASSI { 2446} (( segid "RN14" and resid 660 and name HB2 )) (( segid "RN14" and resid 660 and name HA )) 2.800 1.000 1.000 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.68326E-02 ppm1 2.926 ppm2 4.362 CV 1 ASSI { 2447} (( segid "RN14" and resid 661 and name HA )) (( segid "RN14" and resid 661 and name HB2 )) 2.400 0.700 0.700 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.44038E-02 ppm1 4.238 ppm2 3.227 CV 1 OR { 2447} (( segid "RN14" and resid 661 and name HA )) (( segid "RN14" and resid 661 and name HB1 )) ASSI { 2448} (( segid "RN14" and resid 661 and name HA )) ( segid "RN14" and resid 661 and name HD% ) 2.900 1.000 1.000 peak 2448 spectrum 1 weight 0.10000E+01 volume 0.22892E-02 ppm1 4.236 ppm2 7.008 CV 1 ASSI { 2450} (( segid "RN14" and resid 661 and name HB1 )) ( segid "RN14" and resid 661 and name HD% ) 2.600 0.900 0.900 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.23960E-02 ppm1 3.228 ppm2 7.006 CV 1 OR { 2450} (( segid "RN14" and resid 661 and name HB2 )) ( segid "RN14" and resid 661 and name HD% ) ASSI { 2457} ( segid "RN14" and resid 661 and name HD% ) (( segid "RN14" and resid 665 and name HB2 )) 3.500 1.500 1.500 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.47318E-03 ppm1 7.016 ppm2 1.950 CV 1 ASSI { 2461} ( segid "RN15" and resid 207 and name HD% ) ( segid "RN15" and resid 224 and name HD2%) 5.400 3.600 0.600 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.71147E-03 ppm1 7.146 ppm2 0.471 CV 1 ASSI { 2462} ( segid "RN15" and resid 207 and name HD% ) ( segid "RN15" and resid 227 and name HD1%) 6.000 4.800 0.000 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.30565E-03 ppm1 7.135 ppm2 0.383 CV 1 ASSI { 2464} (( segid "RN14" and resid 661 and name HZ )) (( segid "RN15" and resid 219 and name HB1 )) 3.700 1.800 1.800 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.79755E-03 ppm1 7.107 ppm2 3.451 CV 1 ASSI { 2465} (( segid "RN14" and resid 661 and name HZ )) (( segid "RN15" and resid 219 and name HB2 )) 4.500 2.500 1.500 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.99987E-03 ppm1 7.105 ppm2 2.905 CV 1 ASSI { 2466} (( segid "RN14" and resid 661 and name HZ )) (( segid "RN15" and resid 223 and name HB1 )) 3.100 1.200 1.200 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.93110E-03 ppm1 7.112 ppm2 2.798 CV 1 ASSI { 2467} (( segid "RN14" and resid 661 and name HZ )) (( segid "RN15" and resid 223 and name HB2 )) 4.300 2.400 1.700 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.12309E-02 ppm1 7.107 ppm2 2.881 CV 1 ASSI { 2468} (( segid "RN14" and resid 661 and name HZ )) ( segid "RN14" and resid 661 and name HE% ) 2.200 0.600 0.600 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.11599E-01 ppm1 7.115 ppm2 7.146 CV 1 ASSI { 2469} (( segid "RN14" and resid 661 and name HZ )) ( segid "RN14" and resid 666 and name HG2%) 4.000 2.000 2.000 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.80663E-03 ppm1 7.112 ppm2 0.477 CV 1 ASSI { 2471} (( segid "RN14" and resid 662 and name HA )) (( segid "RN14" and resid 662 and name HB2 )) 2.200 0.600 0.600 peak 2471 spectrum 1 weight 0.10000E+01 volume 0.33955E-02 ppm1 3.761 ppm2 1.476 CV 1 ASSI { 2473} ( segid "RN14" and resid 662 and name HD1%) ( segid "RN14" and resid 661 and name HE% ) 4.600 2.700 1.400 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.11140E-02 ppm1 0.866 ppm2 7.154 CV 1 ASSI { 2474} (( segid "RN14" and resid 663 and name HA )) (( segid "RN15" and resid 189 and name HG1 )) 3.200 1.300 1.300 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.23757E-02 ppm1 4.335 ppm2 1.350 CV 1 ASSI { 2475} (( segid "RN14" and resid 663 and name HA )) (( segid "RN15" and resid 189 and name HG2 )) 2.700 0.900 0.900 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.22997E-02 ppm1 4.332 ppm2 1.994 CV 1 ASSI { 2476} (( segid "RN14" and resid 663 and name HB1 )) (( segid "RN14" and resid 663 and name HA )) 3.300 1.300 1.300 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.19125E-02 ppm1 2.695 ppm2 4.327 CV 1 ASSI { 2478} (( segid "RN14" and resid 664 and name HA )) (( segid "RN14" and resid 664 and name HB1 )) 3.000 1.100 1.100 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.60775E-02 ppm1 4.917 ppm2 2.641 CV 1 ASSI { 2479} (( segid "RN14" and resid 664 and name HA )) (( segid "RN14" and resid 664 and name HB2 )) 2.800 0.900 0.900 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.46113E-02 ppm1 4.918 ppm2 2.743 CV 1 ASSI { 2481} (( segid "RN14" and resid 665 and name HA )) (( segid "RN14" and resid 665 and name HB1 )) 2.500 0.800 0.800 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.45010E-02 ppm1 4.425 ppm2 1.599 CV 1 ASSI { 2482} (( segid "RN14" and resid 665 and name HA )) (( segid "RN14" and resid 665 and name HB2 )) 2.800 1.000 1.000 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.61900E-02 ppm1 4.447 ppm2 1.949 CV 1 ASSI { 2484} (( segid "RN14" and resid 665 and name HB1 )) ( segid "RN14" and resid 661 and name HD% ) 4.100 2.100 1.900 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.63927E-03 ppm1 1.601 ppm2 7.006 CV 1 ASSI { 2485} (( segid "RN14" and resid 665 and name HB1 )) ( segid "RN14" and resid 661 and name HE% ) 4.000 2.000 2.000 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.41625E-03 ppm1 1.598 ppm2 7.144 CV 1 ASSI { 2489} (( segid "RN14" and resid 665 and name HB2 )) (( segid "RN14" and resid 665 and name HB1 )) 1.700 0.400 0.500 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.95080E-02 ppm1 1.951 ppm2 1.602 CV 1 ASSI { 2490} (( segid "RN14" and resid 665 and name HG2 )) (( segid "RN14" and resid 661 and name HA )) 2.600 0.900 0.900 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.65550E-02 ppm1 2.286 ppm2 4.244 CV 1 OR { 2490} (( segid "RN14" and resid 665 and name HG1 )) (( segid "RN14" and resid 661 and name HA )) ASSI { 2491} (( segid "RN14" and resid 665 and name HG2 )) ( segid "RN14" and resid 661 and name HD% ) 3.400 1.400 1.400 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.19012E-02 ppm1 2.285 ppm2 7.013 CV 1 OR { 2491} (( segid "RN14" and resid 665 and name HG1 )) ( segid "RN14" and resid 661 and name HD% ) ASSI { 2492} (( segid "RN14" and resid 665 and name HG2 )) ( segid "RN14" and resid 661 and name HE% ) 4.500 2.600 1.500 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.10083E-02 ppm1 2.282 ppm2 7.146 CV 1 OR { 2492} (( segid "RN14" and resid 665 and name HG1 )) ( segid "RN14" and resid 661 and name HE% ) ASSI { 2493} (( segid "RN14" and resid 665 and name HG1 )) (( segid "RN14" and resid 665 and name HA )) 2.600 0.800 0.800 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.96657E-02 ppm1 2.286 ppm2 4.446 CV 1 OR { 2493} (( segid "RN14" and resid 665 and name HG2 )) (( segid "RN14" and resid 665 and name HA )) ASSI { 2494} (( segid "RN14" and resid 665 and name HG2 )) (( segid "RN14" and resid 665 and name HB1 )) 2.500 0.800 0.800 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.79075E-02 ppm1 2.284 ppm2 1.602 CV 1 OR { 2494} (( segid "RN14" and resid 665 and name HG1 )) (( segid "RN14" and resid 665 and name HB1 )) ASSI { 2495} (( segid "RN14" and resid 666 and name HA )) (( segid "RN14" and resid 666 and name HB )) 2.400 0.700 0.700 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.68486E-02 ppm1 4.056 ppm2 1.832 CV 1 ASSI { 2496} (( segid "RN14" and resid 666 and name HA )) ( segid "RN14" and resid 666 and name HG1%) 2.700 0.900 0.900 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.40331E-02 ppm1 4.055 ppm2 0.542 CV 1 ASSI { 2497} (( segid "RN14" and resid 666 and name HA )) ( segid "RN14" and resid 666 and name HG2%) 2.400 0.700 0.700 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.62094E-02 ppm1 4.054 ppm2 0.480 CV 1 ASSI { 2501} (( segid "RN14" and resid 666 and name HB )) ( segid "RN14" and resid 666 and name HG2%) 2.300 0.700 0.700 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.63094E-02 ppm1 1.825 ppm2 0.480 CV 1 ASSI { 2502} ( segid "RN14" and resid 666 and name HG1%) ( segid "RN15" and resid 218 and name HG2%) 1.900 0.500 0.500 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.15396E-01 ppm1 0.538 ppm2 1.026 CV 1 ASSI { 2503} ( segid "RN14" and resid 666 and name HG2%) ( segid "RN14" and resid 661 and name HD% ) 2.800 1.000 1.000 peak 2503 spectrum 1 weight 0.10000E+01 volume 0.25613E-02 ppm1 0.485 ppm2 7.006 CV 1 ASSI { 2504} ( segid "RN14" and resid 666 and name HG2%) ( segid "RN14" and resid 661 and name HE% ) 2.700 0.900 0.900 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.42074E-02 ppm1 0.487 ppm2 7.147 CV 1 ASSI { 2505} ( segid "RN14" and resid 666 and name HG2%) (( segid "RN14" and resid 662 and name HA )) 2.200 0.600 0.600 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.98016E-02 ppm1 0.496 ppm2 3.755 CV 1 ASSI { 2506} (( segid "RN14" and resid 667 and name HA )) (( segid "RN14" and resid 667 and name HB1 )) 2.200 0.600 0.600 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.89888E-02 ppm1 4.666 ppm2 1.762 CV 1 ASSI { 2507} (( segid "RN14" and resid 667 and name HA )) (( segid "RN14" and resid 667 and name HB2 )) 2.700 0.900 0.900 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.80589E-02 ppm1 4.672 ppm2 1.897 CV 1 ASSI { 2508} (( segid "RN14" and resid 668 and name HA )) (( segid "RN14" and resid 669 and name HD1 )) 2.100 0.500 0.500 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.39593E-02 ppm1 4.369 ppm2 3.540 CV 1 ASSI { 2510} (( segid "RN14" and resid 668 and name HB )) (( segid "RN14" and resid 668 and name HG11)) 2.400 0.700 0.700 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.35624E-02 ppm1 1.988 ppm2 1.334 CV 1 ASSI { 2511} (( segid "RN14" and resid 668 and name HB )) (( segid "RN14" and resid 668 and name HG12)) 2.300 0.700 0.700 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.38234E-02 ppm1 1.987 ppm2 1.185 CV 1 ASSI { 2512} ( segid "RN14" and resid 668 and name HD1%) (( segid "RN15" and resid 181 and name HG )) 3.700 1.700 1.700 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.15595E-02 ppm1 0.642 ppm2 2.125 CV 1 ASSI { 2513} ( segid "RN14" and resid 668 and name HD1%) (( segid "RN15" and resid 181 and name HB2 )) 3.100 1.200 1.200 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.45559E-02 ppm1 0.649 ppm2 1.393 CV 1 ASSI { 2514} ( segid "RN14" and resid 668 and name HD1%) ( segid "RN15" and resid 181 and name HD1%) 2.300 0.600 0.600 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.59621E-02 ppm1 0.652 ppm2 0.936 CV 1 ASSI { 2515} ( segid "RN14" and resid 668 and name HD1%) ( segid "RN15" and resid 181 and name HD2%) 2.800 1.000 1.000 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.30422E-02 ppm1 0.646 ppm2 1.133 CV 1 ASSI { 2516} ( segid "RN14" and resid 668 and name HD1%) ( segid "RN15" and resid 218 and name HG2%) 3.000 1.200 1.200 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.68309E-02 ppm1 0.653 ppm2 1.024 CV 1 ASSI { 2517} ( segid "RN14" and resid 668 and name HD1%) ( segid "RN14" and resid 662 and name HD2%) 1.900 1.900 4.100 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.10184E-01 ppm1 0.648 ppm2 0.782 CV 1 ASSI { 2518} ( segid "RN14" and resid 668 and name HD1%) ( segid "RN14" and resid 666 and name HG1%) 2.000 0.500 0.500 peak 2518 spectrum 1 weight 0.10000E+01 volume 0.10345E-01 ppm1 0.652 ppm2 0.519 CV 1 ASSI { 2519} ( segid "RN14" and resid 668 and name HD1%) ( segid "RN14" and resid 666 and name HG2%) 1.900 1.900 4.100 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.10348E-01 ppm1 0.648 ppm2 0.490 CV 1 ASSI { 2520} ( segid "RN14" and resid 668 and name HD1%) (( segid "RN14" and resid 668 and name HA )) 2.000 0.500 0.500 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.59752E-02 ppm1 0.648 ppm2 4.363 CV 1 ASSI { 2521} ( segid "RN14" and resid 668 and name HD1%) (( segid "RN14" and resid 668 and name HG11)) 2.000 0.500 0.500 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.95394E-02 ppm1 0.649 ppm2 1.332 CV 1 ASSI { 2522} (( segid "RN14" and resid 668 and name HG12)) ( segid "RN14" and resid 668 and name HD1%) 2.100 0.600 0.600 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.58593E-02 ppm1 1.185 ppm2 0.644 CV 1 ASSI { 2528} (( segid "RN14" and resid 669 and name HB2 )) (( segid "RN14" and resid 669 and name HA )) 2.600 0.800 0.800 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.67423E-02 ppm1 1.958 ppm2 4.546 CV 1 ASSI { 2530} (( segid "RN14" and resid 669 and name HD1 )) (( segid "RN14" and resid 669 and name HD2 )) 1.600 0.300 0.600 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.68211E-02 ppm1 3.548 ppm2 4.043 CV 1 ASSI { 2531} (( segid "RN14" and resid 669 and name HD1 )) (( segid "RN14" and resid 669 and name HG1 )) 2.200 0.600 0.600 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.53848E-02 ppm1 3.550 ppm2 2.063 CV 1 OR { 2531} (( segid "RN14" and resid 669 and name HD1 )) (( segid "RN14" and resid 669 and name HG2 )) ASSI { 2532} (( segid "RN14" and resid 669 and name HD2 )) (( segid "RN14" and resid 668 and name HA )) 2.100 0.600 0.600 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.49446E-02 ppm1 4.042 ppm2 4.364 CV 1 ASSI { 2534} (( segid "RN14" and resid 669 and name HD2 )) (( segid "RN14" and resid 669 and name HG2 )) 2.200 0.600 0.600 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.47875E-02 ppm1 4.043 ppm2 2.062 CV 1 OR { 2534} (( segid "RN14" and resid 669 and name HD2 )) (( segid "RN14" and resid 669 and name HG1 )) ASSI { 2535} (( segid "RN14" and resid 669 and name HG1 )) (( segid "RN14" and resid 669 and name HA )) 3.300 1.300 1.300 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.44768E-02 ppm1 2.078 ppm2 4.543 CV 1 OR { 2535} (( segid "RN14" and resid 669 and name HG2 )) (( segid "RN14" and resid 669 and name HA )) ASSI { 2537} (( segid "RN14" and resid 670 and name HA )) ( segid "RN14" and resid 670 and name HG2%) 2.700 0.900 0.900 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.71359E-02 ppm1 4.361 ppm2 1.227 CV 1 ASSI { 2538} (( segid "RN14" and resid 671 and name HA )) (( segid "RN14" and resid 671 and name HB )) 2.600 0.900 0.900 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.69657E-02 ppm1 4.126 ppm2 2.116 CV 1 ASSI { 2539} (( segid "RN14" and resid 671 and name HB )) ( segid "RN14" and resid 671 and name HG1%) 2.200 0.600 0.600 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.15540E-01 ppm1 2.114 ppm2 0.969 CV 1 OR { 2539} (( segid "RN14" and resid 671 and name HB )) ( segid "RN14" and resid 671 and name HG2%) ASSI { 2540} ( segid "RN14" and resid 671 and name HG2%) (( segid "RN15" and resid 175 and name HG1 )) 2.000 2.000 4.000 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.83262E-02 ppm1 0.967 ppm2 2.379 CV 1 OR { 2540} ( segid "RN14" and resid 671 and name HG2%) (( segid "RN15" and resid 175 and name HG2 )) OR { 2540} ( segid "RN14" and resid 671 and name HG1%) (( segid "RN15" and resid 175 and name HG1 )) OR { 2540} ( segid "RN14" and resid 671 and name HG1%) (( segid "RN15" and resid 175 and name HG2 )) ASSI { 2541} ( segid "RN14" and resid 671 and name HG2%) (( segid "RN15" and resid 179 and name HD2 )) 1.900 1.900 4.100 peak 2541 spectrum 1 weight 0.10000E+01 volume 0.10217E-01 ppm1 0.966 ppm2 1.805 CV 1 OR { 2541} ( segid "RN14" and resid 671 and name HG2%) (( segid "RN15" and resid 179 and name HD1 )) OR { 2541} ( segid "RN14" and resid 671 and name HG1%) (( segid "RN15" and resid 179 and name HD2 )) OR { 2541} ( segid "RN14" and resid 671 and name HG1%) (( segid "RN15" and resid 179 and name HD1 )) ASSI { 2542} ( segid "RN14" and resid 671 and name HG1%) (( segid "RN14" and resid 671 and name HA )) 2.400 0.700 0.700 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.12714E-01 ppm1 0.969 ppm2 4.126 CV 1 OR { 2542} ( segid "RN14" and resid 671 and name HG2%) (( segid "RN14" and resid 671 and name HA )) ASSI { 2543} (( segid "RN14" and resid 672 and name HB2 )) (( segid "RN14" and resid 672 and name HA )) 2.700 0.900 0.900 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.54783E-02 ppm1 1.963 ppm2 4.324 CV 1 ASSI { 2544} (( segid "RN14" and resid 672 and name HG1 )) (( segid "RN14" and resid 671 and name HA )) 3.100 3.100 2.900 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.52290E-02 ppm1 2.286 ppm2 4.126 CV 1 OR { 2544} (( segid "RN14" and resid 672 and name HG2 )) (( segid "RN14" and resid 671 and name HA )) ASSI { 2545} (( segid "RN14" and resid 672 and name HG1 )) ( segid "RN14" and resid 671 and name HG1%) 2.500 2.500 3.500 peak 2545 spectrum 1 weight 0.10000E+01 volume 0.22106E-02 ppm1 2.310 ppm2 0.969 CV 1 OR { 2545} (( segid "RN14" and resid 672 and name HG1 )) ( segid "RN14" and resid 671 and name HG2%) OR { 2545} (( segid "RN14" and resid 672 and name HG2 )) ( segid "RN14" and resid 671 and name HG1%) OR { 2545} (( segid "RN14" and resid 672 and name HG2 )) ( segid "RN14" and resid 671 and name HG2%) ASSI { 2546} (( segid "RN14" and resid 673 and name HA )) (( segid "RN14" and resid 673 and name HB1 )) 2.500 0.800 0.800 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.60112E-02 ppm1 4.491 ppm2 3.924 CV 1 OR { 2546} (( segid "RN14" and resid 673 and name HA )) (( segid "RN14" and resid 673 and name HB2 )) ASSI { 8} ( segid "RN15" and resid 208 and name HG2%) ( segid "RN15" and resid 169 and name HD1%) 2.500 0.800 0.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.60015E-02 ppm1 1.028 ppm2 0.798 CV 1 ASSI { 9} ( segid "RN15" and resid 169 and name HD2%) ( segid "RN15" and resid 212 and name HD2%) 2.100 0.600 0.600 peak 9 spectrum 1 weight 0.10000E+01 volume 0.10404E-01 ppm1 0.613 ppm2 0.751 CV 1 ASSI { 12} ( segid "RN14" and resid 658 and name HD1%) ( segid "RN14" and resid 662 and name HD2%) 3.000 1.100 1.100 peak 12 spectrum 1 weight 0.10000E+01 volume 0.52719E-02 ppm1 0.957 ppm2 0.815 CV 1 ASSI { 13} ( segid "RN15" and resid 154 and name HG1%) ( segid "RN15" and resid 156 and name HD1%) 5.200 3.400 0.800 peak 13 spectrum 1 weight 0.10000E+01 volume 0.10060E-02 ppm1 0.350 ppm2 0.947 CV 1 ASSI { 18} ( segid "RN15" and resid 148 and name HD2%) ( segid "RN15" and resid 141 and name HD2%) 3.600 1.600 1.600 peak 18 spectrum 1 weight 0.10000E+01 volume 0.20699E-02 ppm1 0.609 ppm2 0.962 CV 1 OR { 18} ( segid "RN15" and resid 148 and name HD2%) ( segid "RN15" and resid 141 and name HD1%) ASSI { 19} ( segid "RN15" and resid 152 and name HD1%) ( segid "RN15" and resid 154 and name HG2%) 3.100 1.200 1.200 peak 19 spectrum 1 weight 0.10000E+01 volume 0.14535E-02 ppm1 0.673 ppm2 0.170 CV 1 ASSI { 20} ( segid "RN15" and resid 152 and name HD1%) ( segid "RN15" and resid 154 and name HG1%) 4.600 2.700 1.400 peak 20 spectrum 1 weight 0.10000E+01 volume 0.14018E-02 ppm1 0.678 ppm2 0.351 CV 1 ASSI { 23} ( segid "RN15" and resid 165 and name HD1%) ( segid "RN14" and resid 642 and name HD1%) 3.700 1.700 1.700 peak 23 spectrum 1 weight 0.10000E+01 volume 0.26342E-02 ppm1 0.882 ppm2 0.537 CV 1 ASSI { 38} ( segid "RN15" and resid 205 and name HD1%) ( segid "RN14" and resid 639 and name HD2%) 2.200 0.600 0.600 peak 38 spectrum 1 weight 0.10000E+01 volume 0.44341E-02 ppm1 0.647 ppm2 0.855 CV 1 ASSI { 44} ( segid "RN15" and resid 208 and name HG1%) ( segid "RN14" and resid 638 and name HD1%) 4.100 2.100 1.900 peak 44 spectrum 1 weight 0.10000E+01 volume 0.19496E-02 ppm1 0.707 ppm2 0.440 CV 1 ASSI { 46} ( segid "RN15" and resid 208 and name HG2%) ( segid "RN14" and resid 642 and name HD1%) 1.800 0.400 0.400 peak 46 spectrum 1 weight 0.10000E+01 volume 0.69474E-02 ppm1 1.027 ppm2 0.530 CV 1 ASSI { 49} ( segid "RN15" and resid 212 and name HD1%) ( segid "RN14" and resid 638 and name HD1%) 3.800 1.800 1.800 peak 49 spectrum 1 weight 0.10000E+01 volume 0.11465E-02 ppm1 0.688 ppm2 0.449 CV 1 ASSI { 50} ( segid "RN15" and resid 213 and name HD2%) ( segid "RN15" and resid 181 and name HD2%) 2.800 1.000 1.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.35394E-02 ppm1 0.857 ppm2 1.090 CV 1 ASSI { 51} ( segid "RN15" and resid 213 and name HD2%) ( segid "RN14" and resid 666 and name HG2%) 3.100 1.200 1.200 peak 51 spectrum 1 weight 0.10000E+01 volume 0.37777E-02 ppm1 0.855 ppm2 0.507 CV 1 ASSI { 52} ( segid "RN15" and resid 213 and name HD2%) ( segid "RN14" and resid 668 and name HD1%) 2.500 0.800 0.800 peak 52 spectrum 1 weight 0.10000E+01 volume 0.33322E-02 ppm1 0.856 ppm2 0.629 CV 1 ASSI { 53} ( segid "RN15" and resid 218 and name HD1%) ( segid "RN14" and resid 668 and name HD1%) 3.400 1.500 1.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.55068E-02 ppm1 0.899 ppm2 0.630 CV 1 ASSI { 55} ( segid "RN15" and resid 221 and name HG1%) ( segid "RN15" and resid 214 and name HD2%) 4.100 2.100 1.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.27379E-02 ppm1 1.008 ppm2 0.688 CV 1 ASSI { 57} ( segid "RN15" and resid 221 and name HG2%) ( segid "RN15" and resid 214 and name HD2%) 2.900 1.000 1.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.39376E-02 ppm1 1.078 ppm2 0.701 CV 1 ASSI { 70} ( segid "RN14" and resid 635 and name HG1%) ( segid "RN14" and resid 638 and name HD2%) 4.100 2.100 1.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.13501E-02 ppm1 0.616 ppm2 0.283 CV 1 ASSI { 72} ( segid "RN14" and resid 635 and name HG1%) ( segid "RN14" and resid 631 and name HD1%) 2.800 1.000 1.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.17421E-02 ppm1 0.614 ppm2 0.165 CV 1 ASSI { 75} ( segid "RN14" and resid 638 and name HD1%) ( segid "RN15" and resid 208 and name HG2%) 2.900 1.100 1.100 peak 75 spectrum 1 weight 0.10000E+01 volume 0.23063E-02 ppm1 0.432 ppm2 1.027 CV 1 ASSI { 79} ( segid "RN14" and resid 638 and name HD1%) ( segid "RN15" and resid 205 and name HD1%) 3.800 1.800 1.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.53309E-02 ppm1 0.432 ppm2 0.656 CV 1 ASSI { 86} ( segid "RN14" and resid 641 and name HG2%) ( segid "RN14" and resid 638 and name HD2%) 3.000 1.100 1.100 peak 86 spectrum 1 weight 0.10000E+01 volume 0.82897E-03 ppm1 0.911 ppm2 0.287 CV 1 ASSI { 98} ( segid "RN14" and resid 658 and name HD1%) ( segid "RN14" and resid 653 and name HD1%) 3.900 1.900 1.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.33286E-02 ppm1 0.956 ppm2 0.639 CV 1 ASSI { 111} ( segid "RN15" and resid 148 and name HD1%) ( segid "RN15" and resid 148 and name HD2%) 2.100 0.500 0.500 peak 111 spectrum 1 weight 0.10000E+01 volume 0.13414E-01 ppm1 0.732 ppm2 0.603 CV 1 ASSI { 114} ( segid "RN15" and resid 169 and name HD2%) ( segid "RN15" and resid 169 and name HD1%) 2.200 0.600 0.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.82126E-02 ppm1 0.614 ppm2 0.802 CV 1 ASSI { 115} ( segid "RN15" and resid 176 and name HG2%) ( segid "RN15" and resid 176 and name HG1%) 2.400 0.700 0.700 peak 115 spectrum 1 weight 0.10000E+01 volume 0.10187E-01 ppm1 1.158 ppm2 1.050 CV 1 ASSI { 117} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN15" and resid 181 and name HD1%) 2.000 0.500 0.500 peak 117 spectrum 1 weight 0.10000E+01 volume 0.11608E-01 ppm1 1.100 ppm2 0.921 CV 1 ASSI { 130} ( segid "RN14" and resid 635 and name HG2%) ( segid "RN14" and resid 631 and name HD1%) 4.500 2.600 1.500 peak 130 spectrum 1 weight 0.10000E+01 volume 0.11664E-02 ppm1 0.607 ppm2 0.161 CV 1 ASSI { 137} ( segid "RN14" and resid 635 and name HG1%) ( segid "RN14" and resid 631 and name HD2%) 2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.22179E-02 ppm1 0.615 ppm2 -0.067 CV 1 ASSI { 138} ( segid "RN14" and resid 635 and name HG2%) ( segid "RN14" and resid 631 and name HD2%) 3.600 1.700 1.700 peak 138 spectrum 1 weight 0.10000E+01 volume 0.11411E-02 ppm1 0.609 ppm2 -0.072 CV 1 ASSI { 139} ( segid "RN14" and resid 636 and name HD1%) ( segid "RN14" and resid 631 and name HD2%) 5.400 3.600 0.600 peak 139 spectrum 1 weight 0.10000E+01 volume 0.93292E-03 ppm1 0.844 ppm2 -0.057 CV 1 ASSI { 141} ( segid "RN14" and resid 635 and name HG1%) ( segid "RN14" and resid 636 and name HD1%) 4.200 2.200 1.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.36756E-02 ppm1 0.619 ppm2 0.832 CV 1 ASSI { 142} ( segid "RN14" and resid 636 and name HD1%) ( segid "RN14" and resid 636 and name HD2%) 2.100 0.600 0.600 peak 142 spectrum 1 weight 0.10000E+01 volume 0.14396E-01 ppm1 0.844 ppm2 0.723 CV 1 ASSI { 145} ( segid "RN14" and resid 658 and name HD1%) ( segid "RN14" and resid 658 and name HD2%) 2.200 0.600 0.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.10109E-01 ppm1 0.955 ppm2 1.064 CV 1 ASSI { 6} (( segid "RN14" and resid 657 and name HN )) (( segid "RN14" and resid 657 and name HG1 )) 3.700 1.700 1.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.23013E-02 ppm1 8.529 ppm2 1.417 CV 1 ASSI { 7} (( segid "RN14" and resid 657 and name HN )) (( segid "RN14" and resid 656 and name HB2 )) 2.600 0.800 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.49152E-02 ppm1 8.532 ppm2 2.167 CV 1 OR { 7} (( segid "RN14" and resid 657 and name HN )) (( segid "RN14" and resid 656 and name HB1 )) ASSI { 24} (( segid "RN14" and resid 639 and name HN )) (( segid "RN14" and resid 640 and name HA )) 6.000 6.000 0.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.13758E-04 ppm1 8.047 ppm2 4.202 CV 1 ASSI { 57} (( segid "RN15" and resid 183 and name HN )) ( segid "RN14" and resid 670 and name HG2%) 5.100 3.300 0.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.73289E-03 ppm1 8.523 ppm2 1.242 CV 1 ASSI { 64} (( segid "RN15" and resid 227 and name HN )) (( segid "RN14" and resid 657 and name HG2 )) 5.300 3.500 0.700 peak 64 spectrum 1 weight 0.10000E+01 volume 0.37771E-03 ppm1 7.437 ppm2 1.670 CV 1 ASSI { 86} (( segid "RN14" and resid 652 and name HN )) (( segid "RN14" and resid 651 and name HN )) 3.700 1.800 1.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.58530E-03 ppm1 8.105 ppm2 8.702 CV 1 ASSI { 100} (( segid "RN15" and resid 218 and name HN )) (( segid "RN14" and resid 669 and name HB1 )) 5.100 3.200 0.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.48902E-03 ppm1 8.343 ppm2 2.361 CV 1 ASSI { 113} (( segid "RN15" and resid 165 and name HN )) ( segid "RN15" and resid 165 and name HD1%) 5.400 3.600 0.600 peak 113 spectrum 1 weight 0.10000E+01 volume 0.35644E-03 ppm1 7.844 ppm2 0.906 CV 1 OR { 113} (( segid "RN15" and resid 165 and name HN )) ( segid "RN15" and resid 165 and name HG2%) ASSI { 125} (( segid "RN15" and resid 141 and name HN )) (( segid "RN15" and resid 145 and name HB1 )) 6.000 6.000 0.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.63162E-04 ppm1 8.164 ppm2 2.986 CV 1 ASSI { 128} (( segid "RN15" and resid 128 and name HD22)) (( segid "RN15" and resid 128 and name HB1 )) 6.000 5.100 0.000 peak 128 spectrum 1 weight 0.10000E+01 volume 0.11781E-03 ppm1 6.932 ppm2 2.781 CV 1 ASSI { 129} (( segid "RN15" and resid 128 and name HD21)) (( segid "RN15" and resid 128 and name HB2 )) 3.100 1.200 1.200 peak 129 spectrum 1 weight 0.10000E+01 volume 0.19010E-02 ppm1 7.608 ppm2 2.828 CV 1 ASSI { 130} (( segid "RN15" and resid 128 and name HD22)) (( segid "RN15" and resid 128 and name HB2 )) 5.700 4.000 0.300 peak 130 spectrum 1 weight 0.10000E+01 volume 0.22888E-03 ppm1 6.934 ppm2 2.832 CV 1 ASSI { 131} (( segid "RN15" and resid 129 and name HN )) (( segid "RN15" and resid 129 and name HA1 )) 2.900 1.100 1.100 peak 131 spectrum 1 weight 0.10000E+01 volume 0.26890E-02 ppm1 8.182 ppm2 4.126 CV 1 OR { 131} (( segid "RN15" and resid 129 and name HN )) (( segid "RN15" and resid 129 and name HA2 )) ASSI { 134} (( segid "RN15" and resid 131 and name HN )) (( segid "RN15" and resid 130 and name HA )) 2.900 1.100 1.100 peak 134 spectrum 1 weight 0.10000E+01 volume 0.33769E-02 ppm1 8.374 ppm2 4.390 CV 1 ASSI { 135} (( segid "RN15" and resid 131 and name HN )) (( segid "RN15" and resid 130 and name HB1 )) 3.300 1.400 1.400 peak 135 spectrum 1 weight 0.10000E+01 volume 0.32643E-02 ppm1 8.367 ppm2 1.786 CV 1 ASSI { 136} (( segid "RN15" and resid 131 and name HN )) (( segid "RN15" and resid 130 and name HD2 )) 5.100 3.300 0.900 peak 136 spectrum 1 weight 0.10000E+01 volume 0.12757E-03 ppm1 8.377 ppm2 3.628 CV 1 OR { 136} (( segid "RN15" and resid 131 and name HN )) (( segid "RN15" and resid 130 and name HD1 )) ASSI { 137} (( segid "RN15" and resid 131 and name HN )) (( segid "RN15" and resid 131 and name HB2 )) 3.500 1.500 1.500 peak 137 spectrum 1 weight 0.10000E+01 volume 0.13633E-02 ppm1 8.372 ppm2 2.639 CV 1 ASSI { 138} (( segid "RN15" and resid 132 and name HN )) (( segid "RN15" and resid 131 and name HB1 )) 4.200 2.200 1.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.36895E-03 ppm1 8.060 ppm2 2.580 CV 1 ASSI { 140} (( segid "RN15" and resid 132 and name HN )) (( segid "RN15" and resid 132 and name HB1 )) 6.000 6.000 0.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.14383E-04 ppm1 8.081 ppm2 3.181 CV 1 ASSI { 141} (( segid "RN15" and resid 133 and name HN )) (( segid "RN15" and resid 130 and name HB1 )) 4.000 2.000 2.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.12882E-03 ppm1 8.238 ppm2 1.774 CV 1 ASSI { 142} (( segid "RN15" and resid 133 and name HN )) (( segid "RN15" and resid 130 and name HG1 )) 3.300 1.400 1.400 peak 142 spectrum 1 weight 0.10000E+01 volume 0.15008E-02 ppm1 8.241 ppm2 1.959 CV 1 OR { 142} (( segid "RN15" and resid 133 and name HN )) (( segid "RN15" and resid 130 and name HG2 )) ASSI { 143} (( segid "RN15" and resid 133 and name HN )) (( segid "RN15" and resid 132 and name HA )) 6.000 4.500 0.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.240 ppm2 4.555 CV 1 ASSI { 144} (( segid "RN15" and resid 133 and name HN )) (( segid "RN15" and resid 132 and name HB1 )) 4.800 2.800 1.200 peak 144 spectrum 1 weight 0.10000E+01 volume 0.15133E-03 ppm1 8.247 ppm2 3.155 CV 1 ASSI { 145} (( segid "RN15" and resid 133 and name HN )) (( segid "RN15" and resid 132 and name HB2 )) 4.500 2.500 1.500 peak 145 spectrum 1 weight 0.10000E+01 volume 0.28265E-03 ppm1 8.250 ppm2 3.045 CV 1 ASSI { 146} (( segid "RN15" and resid 133 and name HN )) (( segid "RN15" and resid 133 and name HA )) 3.100 1.200 1.200 peak 146 spectrum 1 weight 0.10000E+01 volume 0.20261E-02 ppm1 8.241 ppm2 4.256 CV 1 ASSI { 147} (( segid "RN15" and resid 133 and name HN )) (( segid "RN15" and resid 133 and name HB2 )) 3.700 1.700 1.700 peak 147 spectrum 1 weight 0.10000E+01 volume 0.75168E-03 ppm1 8.237 ppm2 2.093 CV 1 OR { 147} (( segid "RN15" and resid 133 and name HN )) (( segid "RN15" and resid 133 and name HB1 )) ASSI { 148} (( segid "RN15" and resid 133 and name HN )) (( segid "RN15" and resid 133 and name HG1 )) 4.400 2.400 1.600 peak 148 spectrum 1 weight 0.10000E+01 volume 0.49402E-03 ppm1 8.240 ppm2 2.268 CV 1 OR { 148} (( segid "RN15" and resid 133 and name HN )) (( segid "RN15" and resid 133 and name HG2 )) ASSI { 150} (( segid "RN15" and resid 134 and name HN )) (( segid "RN15" and resid 133 and name HA )) 3.400 1.500 1.500 peak 150 spectrum 1 weight 0.10000E+01 volume 0.90425E-03 ppm1 8.288 ppm2 4.255 CV 1 ASSI { 151} (( segid "RN15" and resid 134 and name HN )) (( segid "RN15" and resid 133 and name HG1 )) 5.300 3.500 0.700 peak 151 spectrum 1 weight 0.10000E+01 volume 0.35895E-03 ppm1 8.289 ppm2 2.272 CV 1 OR { 151} (( segid "RN15" and resid 134 and name HN )) (( segid "RN15" and resid 133 and name HG2 )) ASSI { 152} (( segid "RN15" and resid 134 and name HD21)) (( segid "RN15" and resid 134 and name HB1 )) 5.100 3.300 0.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.41898E-03 ppm1 7.682 ppm2 2.757 CV 1 ASSI { 153} (( segid "RN15" and resid 134 and name HD22)) (( segid "RN15" and resid 134 and name HB1 )) 6.000 6.000 0.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.12457E-03 ppm1 6.925 ppm2 2.750 CV 1 ASSI { 154} (( segid "RN15" and resid 134 and name HD21)) (( segid "RN15" and resid 134 and name HB2 )) 4.700 2.700 1.300 peak 154 spectrum 1 weight 0.10000E+01 volume 0.79167E-04 ppm1 7.682 ppm2 2.901 CV 1 ASSI { 155} (( segid "RN15" and resid 134 and name HD22)) (( segid "RN15" and resid 134 and name HB2 )) 6.000 4.700 0.000 peak 155 spectrum 1 weight 0.10000E+01 volume 0.18510E-03 ppm1 6.933 ppm2 2.878 CV 1 ASSI { 157} (( segid "RN15" and resid 134 and name HD21)) (( segid "RN15" and resid 134 and name HD22)) 1.800 0.400 0.400 peak 157 spectrum 1 weight 0.10000E+01 volume 0.16134E-01 ppm1 7.673 ppm2 6.925 CV 1 ASSI { 158} (( segid "RN15" and resid 136 and name HN )) (( segid "RN15" and resid 135 and name HA )) 4.100 2.100 1.900 peak 158 spectrum 1 weight 0.10000E+01 volume 0.27640E-03 ppm1 8.467 ppm2 4.435 CV 1 ASSI { 159} (( segid "RN15" and resid 136 and name HN )) (( segid "RN15" and resid 136 and name HA2 )) 3.500 1.500 1.500 peak 159 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 8.470 ppm2 3.990 CV 1 OR { 159} (( segid "RN15" and resid 136 and name HN )) (( segid "RN15" and resid 136 and name HA1 )) ASSI { 160} (( segid "RN15" and resid 138 and name HN )) (( segid "RN15" and resid 138 and name HA )) 3.400 1.500 1.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.13382E-02 ppm1 8.306 ppm2 4.247 CV 1 ASSI { 161} (( segid "RN15" and resid 138 and name HN )) ( segid "RN15" and resid 138 and name HB% ) 3.500 1.500 1.500 peak 161 spectrum 1 weight 0.10000E+01 volume 0.15008E-02 ppm1 8.304 ppm2 1.396 CV 1 ASSI { 163} (( segid "RN15" and resid 139 and name HN )) (( segid "RN15" and resid 138 and name HA )) 3.800 1.800 1.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.55405E-03 ppm1 8.325 ppm2 4.245 CV 1 ASSI { 164} (( segid "RN15" and resid 139 and name HN )) ( segid "RN15" and resid 138 and name HB% ) 5.400 3.600 0.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.29766E-03 ppm1 8.324 ppm2 1.398 CV 1 ASSI { 165} (( segid "RN15" and resid 139 and name HN )) (( segid "RN15" and resid 139 and name HB1 )) 3.500 1.500 1.500 peak 165 spectrum 1 weight 0.10000E+01 volume 0.12882E-02 ppm1 8.322 ppm2 2.792 CV 1 OR { 165} (( segid "RN15" and resid 139 and name HN )) (( segid "RN15" and resid 139 and name HB2 )) ASSI { 166} (( segid "RN15" and resid 139 and name HD21)) (( segid "RN15" and resid 139 and name HB1 )) 3.400 1.500 1.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.11144E-02 ppm1 7.574 ppm2 2.787 CV 1 OR { 166} (( segid "RN15" and resid 139 and name HD21)) (( segid "RN15" and resid 139 and name HB2 )) ASSI { 167} (( segid "RN15" and resid 139 and name HD22)) (( segid "RN15" and resid 139 and name HB1 )) 5.900 4.300 0.100 peak 167 spectrum 1 weight 0.10000E+01 volume 0.19260E-03 ppm1 6.889 ppm2 2.785 CV 1 OR { 167} (( segid "RN15" and resid 139 and name HD22)) (( segid "RN15" and resid 139 and name HB2 )) ASSI { 168} (( segid "RN15" and resid 139 and name HD22)) (( segid "RN15" and resid 139 and name HD21)) 1.800 0.400 0.400 peak 168 spectrum 1 weight 0.10000E+01 volume 0.20511E-01 ppm1 6.880 ppm2 7.564 CV 1 ASSI { 170} (( segid "RN15" and resid 140 and name HN )) (( segid "RN15" and resid 139 and name HB1 )) 3.900 1.900 1.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.66287E-03 ppm1 8.061 ppm2 2.788 CV 1 OR { 170} (( segid "RN15" and resid 140 and name HN )) (( segid "RN15" and resid 139 and name HB2 )) ASSI { 171} (( segid "RN15" and resid 140 and name HN )) (( segid "RN15" and resid 140 and name HB2 )) 2.400 0.700 0.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.59661E-02 ppm1 8.063 ppm2 3.171 CV 1 OR { 171} (( segid "RN15" and resid 140 and name HN )) (( segid "RN15" and resid 140 and name HB1 )) ASSI { 172} (( segid "RN15" and resid 140 and name HN )) ( segid "RN15" and resid 140 and name HD% ) 4.800 2.900 1.200 peak 172 spectrum 1 weight 0.10000E+01 volume 0.83045E-03 ppm1 8.064 ppm2 7.252 CV 1 ASSI { 174} (( segid "RN15" and resid 141 and name HN )) (( segid "RN15" and resid 139 and name HN )) 3.900 1.900 1.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.12632E-02 ppm1 8.140 ppm2 8.307 CV 1 ASSI { 175} (( segid "RN15" and resid 141 and name HN )) (( segid "RN15" and resid 140 and name HA )) 5.000 3.100 1.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.17510E-03 ppm1 8.165 ppm2 4.475 CV 1 ASSI { 176} (( segid "RN15" and resid 141 and name HN )) (( segid "RN15" and resid 140 and name HB2 )) 2.800 1.000 1.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.30017E-02 ppm1 8.151 ppm2 3.162 CV 1 OR { 176} (( segid "RN15" and resid 141 and name HN )) (( segid "RN15" and resid 140 and name HB1 )) ASSI { 177} (( segid "RN15" and resid 141 and name HN )) ( segid "RN15" and resid 140 and name HD% ) 3.500 1.500 1.500 peak 177 spectrum 1 weight 0.10000E+01 volume 0.89551E-03 ppm1 8.152 ppm2 7.254 CV 1 ASSI { 178} (( segid "RN15" and resid 141 and name HN )) (( segid "RN15" and resid 141 and name HB1 )) 3.300 1.400 1.400 peak 178 spectrum 1 weight 0.10000E+01 volume 0.44525E-02 ppm1 8.152 ppm2 1.793 CV 1 ASSI { 179} (( segid "RN15" and resid 141 and name HN )) (( segid "RN15" and resid 141 and name HB2 )) 2.400 0.700 0.700 peak 179 spectrum 1 weight 0.10000E+01 volume 0.32268E-02 ppm1 8.154 ppm2 1.653 CV 1 ASSI { 180} (( segid "RN15" and resid 141 and name HN )) (( segid "RN15" and resid 141 and name HG )) 2.200 0.600 0.600 peak 180 spectrum 1 weight 0.10000E+01 volume 0.53404E-02 ppm1 8.154 ppm2 1.688 CV 1 ASSI { 182} (( segid "RN15" and resid 142 and name HN )) (( segid "RN15" and resid 140 and name HB2 )) 2.900 2.900 3.100 peak 182 spectrum 1 weight 0.10000E+01 volume 0.47651E-02 ppm1 8.096 ppm2 3.149 CV 1 OR { 182} (( segid "RN15" and resid 142 and name HN )) (( segid "RN15" and resid 140 and name HB1 )) ASSI { 184} (( segid "RN15" and resid 142 and name HN )) (( segid "RN15" and resid 141 and name HA )) 3.100 1.200 1.200 peak 184 spectrum 1 weight 0.10000E+01 volume 0.25514E-02 ppm1 8.099 ppm2 4.151 CV 1 ASSI { 185} (( segid "RN15" and resid 142 and name HN )) (( segid "RN15" and resid 141 and name HB1 )) 3.500 1.600 1.600 peak 185 spectrum 1 weight 0.10000E+01 volume 0.19010E-02 ppm1 8.100 ppm2 1.802 CV 1 ASSI { 186} (( segid "RN15" and resid 142 and name HN )) (( segid "RN15" and resid 141 and name HB2 )) 2.500 0.800 0.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.26640E-02 ppm1 8.099 ppm2 1.627 CV 1 ASSI { 187} (( segid "RN15" and resid 142 and name HN )) ( segid "RN15" and resid 141 and name HD1%) 4.200 2.200 1.800 peak 187 spectrum 1 weight 0.10000E+01 volume 0.22637E-02 ppm1 8.099 ppm2 0.989 CV 1 ASSI { 188} (( segid "RN15" and resid 142 and name HN )) (( segid "RN15" and resid 142 and name HA )) 2.800 1.000 1.000 peak 188 spectrum 1 weight 0.10000E+01 volume 0.36270E-02 ppm1 8.098 ppm2 4.269 CV 1 ASSI { 189} (( segid "RN15" and resid 142 and name HN )) (( segid "RN15" and resid 142 and name HB1 )) 2.800 1.000 1.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.33519E-02 ppm1 8.099 ppm2 3.972 CV 1 OR { 189} (( segid "RN15" and resid 142 and name HN )) (( segid "RN15" and resid 142 and name HB2 )) ASSI { 190} (( segid "RN15" and resid 142 and name HN )) (( segid "RN15" and resid 143 and name HN )) 4.500 2.600 1.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.15008E-03 ppm1 8.099 ppm2 7.916 CV 1 ASSI { 191} (( segid "RN15" and resid 143 and name HN )) (( segid "RN15" and resid 143 and name HB2 )) 4.100 2.100 1.900 peak 191 spectrum 1 weight 0.10000E+01 volume 0.35895E-03 ppm1 7.914 ppm2 2.072 CV 1 OR { 191} (( segid "RN15" and resid 143 and name HN )) (( segid "RN15" and resid 143 and name HB1 )) ASSI { 192} (( segid "RN15" and resid 143 and name HN )) (( segid "RN15" and resid 140 and name HA )) 4.400 2.400 1.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.28766E-03 ppm1 7.907 ppm2 4.484 CV 1 ASSI { 193} (( segid "RN15" and resid 143 and name HN )) (( segid "RN15" and resid 143 and name HA )) 5.100 3.300 0.900 peak 193 spectrum 1 weight 0.10000E+01 volume 0.11857E-03 ppm1 7.916 ppm2 4.166 CV 1 ASSI { 194} (( segid "RN15" and resid 143 and name HN )) (( segid "RN15" and resid 143 and name HG1 )) 4.000 2.000 2.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.99804E-03 ppm1 7.905 ppm2 2.373 CV 1 OR { 194} (( segid "RN15" and resid 143 and name HN )) (( segid "RN15" and resid 143 and name HG2 )) ASSI { 195} (( segid "RN15" and resid 143 and name HE22)) (( segid "RN15" and resid 143 and name HE21)) 1.700 0.400 0.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.26264E-01 ppm1 6.805 ppm2 7.410 CV 1 ASSI { 197} (( segid "RN15" and resid 143 and name HE21)) (( segid "RN15" and resid 143 and name HG1 )) 3.300 1.400 1.400 peak 197 spectrum 1 weight 0.10000E+01 volume 0.12345E-02 ppm1 7.412 ppm2 2.383 CV 1 OR { 197} (( segid "RN15" and resid 143 and name HE21)) (( segid "RN15" and resid 143 and name HG2 )) ASSI { 198} (( segid "RN15" and resid 143 and name HE22)) (( segid "RN15" and resid 143 and name HG1 )) 5.000 3.200 1.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.49402E-03 ppm1 6.806 ppm2 2.363 CV 1 OR { 198} (( segid "RN15" and resid 143 and name HE22)) (( segid "RN15" and resid 143 and name HG2 )) ASSI { 200} (( segid "RN15" and resid 144 and name HN )) ( segid "RN15" and resid 140 and name HD% ) 4.800 2.900 1.200 peak 200 spectrum 1 weight 0.10000E+01 volume 0.43399E-03 ppm1 7.758 ppm2 7.248 CV 1 ASSI { 201} (( segid "RN15" and resid 144 and name HN )) (( segid "RN15" and resid 143 and name HA )) 2.900 1.100 1.100 peak 201 spectrum 1 weight 0.10000E+01 volume 0.45650E-02 ppm1 7.751 ppm2 4.160 CV 1 ASSI { 202} (( segid "RN15" and resid 144 and name HN )) (( segid "RN15" and resid 143 and name HB1 )) 3.100 1.200 1.200 peak 202 spectrum 1 weight 0.10000E+01 volume 0.18385E-02 ppm1 7.745 ppm2 2.030 CV 1 OR { 202} (( segid "RN15" and resid 144 and name HN )) (( segid "RN15" and resid 143 and name HB2 )) ASSI { 203} (( segid "RN15" and resid 144 and name HN )) (( segid "RN15" and resid 144 and name HA )) 2.800 1.000 1.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.37146E-02 ppm1 7.759 ppm2 3.966 CV 1 ASSI { 204} (( segid "RN15" and resid 144 and name HN )) (( segid "RN15" and resid 144 and name HB1 )) 3.000 1.100 1.100 peak 204 spectrum 1 weight 0.10000E+01 volume 0.43524E-02 ppm1 7.752 ppm2 1.425 CV 1 ASSI { 205} (( segid "RN15" and resid 144 and name HN )) (( segid "RN15" and resid 144 and name HB2 )) 2.800 1.000 1.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.25764E-02 ppm1 7.753 ppm2 1.246 CV 1 ASSI { 206} (( segid "RN15" and resid 144 and name HN )) (( segid "RN15" and resid 144 and name HG1 )) 3.700 1.700 1.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.72415E-03 ppm1 7.752 ppm2 1.097 CV 1 ASSI { 207} (( segid "RN15" and resid 144 and name HN )) (( segid "RN15" and resid 144 and name HG2 )) 4.000 2.000 2.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.98930E-03 ppm1 7.756 ppm2 0.935 CV 1 ASSI { 208} (( segid "RN15" and resid 144 and name HN )) (( segid "RN15" and resid 145 and name HN )) 2.600 0.800 0.800 peak 208 spectrum 1 weight 0.10000E+01 volume 0.38021E-02 ppm1 7.752 ppm2 7.657 CV 1 ASSI { 212} (( segid "RN15" and resid 145 and name HN )) (( segid "RN15" and resid 141 and name HA )) 3.000 1.100 1.100 peak 212 spectrum 1 weight 0.10000E+01 volume 0.16134E-02 ppm1 7.676 ppm2 4.155 CV 1 ASSI { 213} (( segid "RN15" and resid 145 and name HN )) (( segid "RN15" and resid 144 and name HA )) 3.100 1.200 1.200 peak 213 spectrum 1 weight 0.10000E+01 volume 0.23888E-02 ppm1 7.680 ppm2 3.957 CV 1 ASSI { 214} (( segid "RN15" and resid 145 and name HN )) (( segid "RN15" and resid 144 and name HB1 )) 3.700 1.700 1.700 peak 214 spectrum 1 weight 0.10000E+01 volume 0.15759E-02 ppm1 7.679 ppm2 1.426 CV 1 ASSI { 215} (( segid "RN15" and resid 145 and name HN )) (( segid "RN15" and resid 144 and name HB2 )) 3.500 1.600 1.600 peak 215 spectrum 1 weight 0.10000E+01 volume 0.88551E-03 ppm1 7.683 ppm2 1.242 CV 1 ASSI { 216} (( segid "RN15" and resid 145 and name HN )) (( segid "RN15" and resid 144 and name HG1 )) 5.800 4.200 0.200 peak 216 spectrum 1 weight 0.10000E+01 volume 0.14883E-03 ppm1 7.688 ppm2 1.090 CV 1 ASSI { 217} (( segid "RN15" and resid 145 and name HN )) (( segid "RN15" and resid 145 and name HA )) 3.100 1.200 1.200 peak 217 spectrum 1 weight 0.10000E+01 volume 0.16009E-02 ppm1 7.681 ppm2 5.021 CV 1 ASSI { 218} (( segid "RN15" and resid 145 and name HN )) (( segid "RN15" and resid 145 and name HB1 )) 3.900 1.900 1.900 peak 218 spectrum 1 weight 0.10000E+01 volume 0.14758E-02 ppm1 7.681 ppm2 2.993 CV 1 ASSI { 219} (( segid "RN15" and resid 145 and name HN )) (( segid "RN15" and resid 145 and name HB2 )) 2.900 1.100 1.100 peak 219 spectrum 1 weight 0.10000E+01 volume 0.15258E-02 ppm1 7.676 ppm2 2.838 CV 1 ASSI { 220} (( segid "RN15" and resid 145 and name HN )) ( segid "RN15" and resid 145 and name HD% ) 2.900 1.000 1.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.20386E-02 ppm1 7.678 ppm2 7.231 CV 1 ASSI { 222} (( segid "RN15" and resid 145 and name HN )) (( segid "RN15" and resid 146 and name HD1 )) 4.400 2.400 1.600 peak 222 spectrum 1 weight 0.10000E+01 volume 0.23013E-03 ppm1 7.685 ppm2 3.583 CV 1 ASSI { 223} (( segid "RN15" and resid 145 and name HN )) (( segid "RN15" and resid 146 and name HD2 )) 4.600 2.700 1.400 peak 223 spectrum 1 weight 0.10000E+01 volume 0.63785E-03 ppm1 7.677 ppm2 3.409 CV 1 ASSI { 224} (( segid "RN15" and resid 147 and name HN )) (( segid "RN15" and resid 146 and name HA )) 2.900 1.000 1.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.30267E-02 ppm1 9.319 ppm2 4.432 CV 1 ASSI { 225} (( segid "RN15" and resid 147 and name HN )) (( segid "RN15" and resid 146 and name HB1 )) 4.600 2.700 1.400 peak 225 spectrum 1 weight 0.10000E+01 volume 0.57656E-03 ppm1 9.325 ppm2 2.289 CV 1 ASSI { 226} (( segid "RN15" and resid 147 and name HN )) (( segid "RN15" and resid 146 and name HD1 )) 5.800 4.200 0.200 peak 226 spectrum 1 weight 0.10000E+01 volume 0.18510E-03 ppm1 9.312 ppm2 3.586 CV 1 ASSI { 227} (( segid "RN15" and resid 147 and name HN )) (( segid "RN15" and resid 146 and name HD2 )) 4.400 2.400 1.600 peak 227 spectrum 1 weight 0.10000E+01 volume 0.11294E-03 ppm1 9.322 ppm2 3.403 CV 1 ASSI { 228} (( segid "RN15" and resid 147 and name HN )) (( segid "RN15" and resid 147 and name HA )) 3.300 1.300 1.300 peak 228 spectrum 1 weight 0.10000E+01 volume 0.14133E-02 ppm1 9.316 ppm2 4.274 CV 1 ASSI { 229} (( segid "RN15" and resid 147 and name HN )) (( segid "RN15" and resid 147 and name HB1 )) 3.000 1.100 1.100 peak 229 spectrum 1 weight 0.10000E+01 volume 0.31393E-02 ppm1 9.323 ppm2 1.987 CV 1 ASSI { 230} (( segid "RN15" and resid 147 and name HN )) (( segid "RN15" and resid 147 and name HB2 )) 3.200 1.300 1.300 peak 230 spectrum 1 weight 0.10000E+01 volume 0.30767E-02 ppm1 9.323 ppm2 2.052 CV 1 ASSI { 232} (( segid "RN15" and resid 148 and name HN )) (( segid "RN15" and resid 145 and name HB1 )) 6.000 4.800 0.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.45150E-04 ppm1 7.595 ppm2 2.992 CV 1 ASSI { 233} (( segid "RN15" and resid 148 and name HN )) (( segid "RN15" and resid 145 and name HB2 )) 5.200 3.300 0.800 peak 233 spectrum 1 weight 0.10000E+01 volume 0.36020E-03 ppm1 7.595 ppm2 2.815 CV 1 ASSI { 234} (( segid "RN15" and resid 148 and name HN )) ( segid "RN15" and resid 145 and name HD% ) 5.500 3.800 0.500 peak 234 spectrum 1 weight 0.10000E+01 volume 0.25389E-03 ppm1 7.593 ppm2 7.218 CV 1 ASSI { 235} (( segid "RN15" and resid 148 and name HN )) (( segid "RN15" and resid 146 and name HA )) 6.000 5.500 0.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.20887E-04 ppm1 7.595 ppm2 4.438 CV 1 ASSI { 236} (( segid "RN15" and resid 148 and name HN )) (( segid "RN15" and resid 147 and name HN )) 3.000 1.200 1.200 peak 236 spectrum 1 weight 0.10000E+01 volume 0.13507E-02 ppm1 7.590 ppm2 9.323 CV 1 ASSI { 237} (( segid "RN15" and resid 148 and name HN )) (( segid "RN15" and resid 147 and name HB1 )) 4.000 2.000 2.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.13382E-02 ppm1 7.588 ppm2 1.986 CV 1 ASSI { 238} (( segid "RN15" and resid 148 and name HN )) (( segid "RN15" and resid 147 and name HB2 )) 3.300 1.400 1.400 peak 238 spectrum 1 weight 0.10000E+01 volume 0.18510E-02 ppm1 7.592 ppm2 2.083 CV 1 ASSI { 239} (( segid "RN15" and resid 148 and name HN )) (( segid "RN15" and resid 147 and name HG2 )) 5.100 3.200 0.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.24514E-03 ppm1 7.595 ppm2 2.292 CV 1 OR { 239} (( segid "RN15" and resid 148 and name HN )) (( segid "RN15" and resid 147 and name HG1 )) ASSI { 240} (( segid "RN15" and resid 148 and name HN )) (( segid "RN15" and resid 148 and name HA )) 2.300 0.700 0.700 peak 240 spectrum 1 weight 0.10000E+01 volume 0.59409E-02 ppm1 7.589 ppm2 4.270 CV 1 ASSI { 241} (( segid "RN15" and resid 148 and name HN )) (( segid "RN15" and resid 148 and name HB1 )) 3.400 1.400 1.400 peak 241 spectrum 1 weight 0.10000E+01 volume 0.47526E-02 ppm1 7.590 ppm2 1.695 CV 1 ASSI { 242} (( segid "RN15" and resid 148 and name HN )) (( segid "RN15" and resid 148 and name HB2 )) 2.600 0.900 0.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.31518E-02 ppm1 7.590 ppm2 1.397 CV 1 ASSI { 243} (( segid "RN15" and resid 148 and name HN )) ( segid "RN15" and resid 148 and name HD1%) 4.200 2.200 1.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.17385E-02 ppm1 7.589 ppm2 0.744 CV 1 ASSI { 244} (( segid "RN15" and resid 148 and name HN )) ( segid "RN15" and resid 148 and name HD2%) 3.800 1.800 1.800 peak 244 spectrum 1 weight 0.10000E+01 volume 0.15383E-02 ppm1 7.588 ppm2 0.604 CV 1 ASSI { 245} (( segid "RN15" and resid 148 and name HN )) (( segid "RN15" and resid 148 and name HG )) 2.400 0.700 0.700 peak 245 spectrum 1 weight 0.10000E+01 volume 0.44650E-02 ppm1 7.590 ppm2 1.836 CV 1 ASSI { 246} (( segid "RN15" and resid 148 and name HN )) (( segid "RN15" and resid 149 and name HD1 )) 6.000 5.200 0.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.10943E-03 ppm1 7.589 ppm2 3.913 CV 1 ASSI { 247} (( segid "RN15" and resid 150 and name HN )) (( segid "RN15" and resid 149 and name HA )) 2.500 0.800 0.800 peak 247 spectrum 1 weight 0.10000E+01 volume 0.52404E-02 ppm1 8.663 ppm2 4.587 CV 1 ASSI { 248} (( segid "RN15" and resid 150 and name HN )) (( segid "RN15" and resid 149 and name HB1 )) 4.200 2.200 1.800 peak 248 spectrum 1 weight 0.10000E+01 volume 0.97051E-03 ppm1 8.661 ppm2 1.746 CV 1 ASSI { 249} (( segid "RN15" and resid 150 and name HN )) (( segid "RN15" and resid 149 and name HB2 )) 3.300 1.400 1.400 peak 249 spectrum 1 weight 0.10000E+01 volume 0.13257E-02 ppm1 8.661 ppm2 2.348 CV 1 ASSI { 250} (( segid "RN15" and resid 150 and name HN )) (( segid "RN15" and resid 150 and name HA )) 3.000 1.100 1.100 peak 250 spectrum 1 weight 0.10000E+01 volume 0.29766E-02 ppm1 8.662 ppm2 4.261 CV 1 ASSI { 251} (( segid "RN15" and resid 150 and name HN )) (( segid "RN15" and resid 150 and name HB1 )) 2.800 1.000 1.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.32143E-02 ppm1 8.662 ppm2 3.959 CV 1 OR { 251} (( segid "RN15" and resid 150 and name HN )) (( segid "RN15" and resid 150 and name HB2 )) ASSI { 254} (( segid "RN15" and resid 151 and name HN )) (( segid "RN15" and resid 149 and name HB1 )) 3.700 1.700 1.700 peak 254 spectrum 1 weight 0.10000E+01 volume 0.33894E-02 ppm1 8.022 ppm2 1.735 CV 1 ASSI { 255} (( segid "RN15" and resid 151 and name HN )) (( segid "RN15" and resid 149 and name HB2 )) 3.000 1.100 1.100 peak 255 spectrum 1 weight 0.10000E+01 volume 0.13633E-02 ppm1 8.021 ppm2 2.361 CV 1 ASSI { 256} (( segid "RN15" and resid 151 and name HN )) (( segid "RN15" and resid 150 and name HN )) 2.800 1.000 1.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.31642E-02 ppm1 8.020 ppm2 8.665 CV 1 ASSI { 257} (( segid "RN15" and resid 151 and name HN )) (( segid "RN15" and resid 150 and name HA )) 2.800 1.000 1.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.55656E-02 ppm1 8.022 ppm2 4.240 CV 1 ASSI { 258} (( segid "RN15" and resid 151 and name HN )) (( segid "RN15" and resid 151 and name HA1 )) 3.200 1.300 1.300 peak 258 spectrum 1 weight 0.10000E+01 volume 0.24764E-02 ppm1 8.024 ppm2 4.041 CV 1 ASSI { 259} (( segid "RN15" and resid 151 and name HN )) (( segid "RN15" and resid 151 and name HA2 )) 2.600 0.800 0.800 peak 259 spectrum 1 weight 0.10000E+01 volume 0.35519E-02 ppm1 8.023 ppm2 3.976 CV 1 ASSI { 260} (( segid "RN15" and resid 151 and name HN )) (( segid "RN15" and resid 152 and name HN )) 4.100 2.100 1.900 peak 260 spectrum 1 weight 0.10000E+01 volume 0.23888E-02 ppm1 8.024 ppm2 7.553 CV 1 ASSI { 261} (( segid "RN15" and resid 151 and name HN )) (( segid "RN15" and resid 152 and name HA )) 2.900 2.900 3.100 peak 261 spectrum 1 weight 0.10000E+01 volume 0.62037E-02 ppm1 8.023 ppm2 4.505 CV 1 ASSI { 264} (( segid "RN15" and resid 152 and name HN )) (( segid "RN15" and resid 151 and name HA1 )) 2.600 0.900 0.900 peak 264 spectrum 1 weight 0.10000E+01 volume 0.26515E-02 ppm1 7.541 ppm2 4.034 CV 1 ASSI { 265} (( segid "RN15" and resid 152 and name HN )) (( segid "RN15" and resid 152 and name HA )) 2.800 1.000 1.000 peak 265 spectrum 1 weight 0.10000E+01 volume 0.28016E-02 ppm1 7.541 ppm2 4.497 CV 1 ASSI { 266} (( segid "RN15" and resid 152 and name HN )) (( segid "RN15" and resid 152 and name HB )) 4.000 2.000 2.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.91299E-03 ppm1 7.536 ppm2 1.982 CV 1 ASSI { 267} (( segid "RN15" and resid 152 and name HN )) ( segid "RN15" and resid 152 and name HD1%) 4.200 2.200 1.800 peak 267 spectrum 1 weight 0.10000E+01 volume 0.33894E-03 ppm1 7.543 ppm2 0.677 CV 1 ASSI { 268} (( segid "RN15" and resid 152 and name HN )) (( segid "RN15" and resid 152 and name HG11)) 3.200 1.300 1.300 peak 268 spectrum 1 weight 0.10000E+01 volume 0.11069E-02 ppm1 7.543 ppm2 0.937 CV 1 ASSI { 269} (( segid "RN15" and resid 152 and name HN )) (( segid "RN15" and resid 152 and name HG12)) 3.500 1.500 1.500 peak 269 spectrum 1 weight 0.10000E+01 volume 0.19511E-02 ppm1 7.539 ppm2 0.400 CV 1 ASSI { 270} (( segid "RN15" and resid 152 and name HN )) ( segid "RN15" and resid 152 and name HG2%) 2.900 1.100 1.100 peak 270 spectrum 1 weight 0.10000E+01 volume 0.44149E-02 ppm1 7.539 ppm2 0.841 CV 1 ASSI { 271} (( segid "RN15" and resid 152 and name HN )) (( segid "RN14" and resid 643 and name HA )) 3.000 1.100 1.100 peak 271 spectrum 1 weight 0.10000E+01 volume 0.22762E-02 ppm1 7.534 ppm2 4.846 CV 1 ASSI { 272} (( segid "RN15" and resid 152 and name HN )) (( segid "RN14" and resid 644 and name HN )) 3.800 1.800 1.800 peak 272 spectrum 1 weight 0.10000E+01 volume 0.73038E-03 ppm1 7.543 ppm2 7.644 CV 1 ASSI { 273} (( segid "RN15" and resid 152 and name HN )) (( segid "RN14" and resid 644 and name HG2 )) 3.300 1.400 1.400 peak 273 spectrum 1 weight 0.10000E+01 volume 0.95806E-03 ppm1 7.543 ppm2 1.653 CV 1 ASSI { 274} (( segid "RN15" and resid 153 and name HN )) (( segid "RN15" and resid 152 and name HN )) 4.900 3.000 1.100 peak 274 spectrum 1 weight 0.10000E+01 volume 0.41023E-03 ppm1 8.289 ppm2 7.562 CV 1 ASSI { 275} (( segid "RN15" and resid 153 and name HN )) (( segid "RN15" and resid 152 and name HB )) 2.500 0.800 0.800 peak 275 spectrum 1 weight 0.10000E+01 volume 0.55781E-02 ppm1 8.282 ppm2 1.984 CV 1 ASSI { 276} (( segid "RN15" and resid 153 and name HN )) ( segid "RN15" and resid 152 and name HD1%) 4.500 2.500 1.500 peak 276 spectrum 1 weight 0.10000E+01 volume 0.57781E-03 ppm1 8.280 ppm2 0.695 CV 1 ASSI { 277} (( segid "RN15" and resid 153 and name HN )) (( segid "RN15" and resid 152 and name HG12)) 4.900 3.000 1.100 peak 277 spectrum 1 weight 0.10000E+01 volume 0.50528E-03 ppm1 8.296 ppm2 0.388 CV 1 ASSI { 278} (( segid "RN15" and resid 153 and name HN )) ( segid "RN15" and resid 152 and name HG2%) 4.700 2.800 1.300 peak 278 spectrum 1 weight 0.10000E+01 volume 0.10318E-02 ppm1 8.282 ppm2 0.830 CV 1 ASSI { 279} (( segid "RN15" and resid 153 and name HN )) (( segid "RN15" and resid 153 and name HA )) 3.300 1.400 1.400 peak 279 spectrum 1 weight 0.10000E+01 volume 0.11894E-02 ppm1 8.283 ppm2 5.043 CV 1 ASSI { 280} (( segid "RN15" and resid 153 and name HN )) (( segid "RN15" and resid 153 and name HB1 )) 3.200 1.300 1.300 peak 280 spectrum 1 weight 0.10000E+01 volume 0.31267E-02 ppm1 8.283 ppm2 2.708 CV 1 ASSI { 281} (( segid "RN15" and resid 153 and name HN )) (( segid "RN15" and resid 153 and name HB2 )) 2.700 0.900 0.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.47151E-02 ppm1 8.284 ppm2 2.438 CV 1 ASSI { 283} (( segid "RN15" and resid 153 and name HN )) (( segid "RN14" and resid 644 and name HG1 )) 4.900 3.000 1.100 peak 283 spectrum 1 weight 0.10000E+01 volume 0.21387E-03 ppm1 8.281 ppm2 1.389 CV 1 ASSI { 284} (( segid "RN15" and resid 154 and name HN )) (( segid "RN15" and resid 153 and name HA )) 3.000 1.100 1.100 peak 284 spectrum 1 weight 0.10000E+01 volume 0.18135E-02 ppm1 6.956 ppm2 5.043 CV 1 ASSI { 285} (( segid "RN15" and resid 154 and name HN )) (( segid "RN15" and resid 153 and name HB2 )) 4.400 2.500 1.600 peak 285 spectrum 1 weight 0.10000E+01 volume 0.54530E-03 ppm1 6.964 ppm2 2.445 CV 1 ASSI { 286} (( segid "RN15" and resid 154 and name HN )) (( segid "RN15" and resid 154 and name HA )) 4.000 2.000 2.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.33519E-03 ppm1 6.948 ppm2 3.933 CV 1 ASSI { 287} (( segid "RN15" and resid 154 and name HN )) (( segid "RN15" and resid 154 and name HB )) 2.900 1.000 1.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.21262E-02 ppm1 6.958 ppm2 1.167 CV 1 ASSI { 288} (( segid "RN15" and resid 154 and name HN )) ( segid "RN15" and resid 154 and name HG1%) 6.000 6.000 0.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.31017E-04 ppm1 6.963 ppm2 0.373 CV 1 ASSI { 289} (( segid "RN15" and resid 154 and name HN )) ( segid "RN15" and resid 154 and name HG2%) 3.500 1.600 1.600 peak 289 spectrum 1 weight 0.10000E+01 volume 0.85421E-03 ppm1 6.956 ppm2 0.188 CV 1 ASSI { 290} (( segid "RN15" and resid 154 and name HN )) (( segid "RN15" and resid 155 and name HB1 )) 3.900 1.900 1.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.17885E-02 ppm1 6.963 ppm2 2.707 CV 1 ASSI { 291} (( segid "RN15" and resid 154 and name HN )) ( segid "RN14" and resid 647 and name HE% ) 3.900 1.900 1.900 peak 291 spectrum 1 weight 0.10000E+01 volume 0.53154E-03 ppm1 6.960 ppm2 7.069 CV 1 ASSI { 292} (( segid "RN15" and resid 155 and name HN )) (( segid "RN15" and resid 154 and name HA )) 2.900 1.000 1.000 peak 292 spectrum 1 weight 0.10000E+01 volume 0.21387E-02 ppm1 8.600 ppm2 3.923 CV 1 ASSI { 293} (( segid "RN15" and resid 155 and name HN )) ( segid "RN15" and resid 154 and name HG1%) 4.400 2.400 1.600 peak 293 spectrum 1 weight 0.10000E+01 volume 0.27390E-03 ppm1 8.603 ppm2 0.348 CV 1 ASSI { 294} (( segid "RN15" and resid 155 and name HN )) (( segid "RN15" and resid 155 and name HA )) 3.400 1.500 1.500 peak 294 spectrum 1 weight 0.10000E+01 volume 0.10544E-02 ppm1 8.601 ppm2 4.880 CV 1 ASSI { 295} (( segid "RN15" and resid 155 and name HN )) (( segid "RN15" and resid 155 and name HB1 )) 3.900 1.900 1.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.38896E-03 ppm1 8.606 ppm2 2.713 CV 1 ASSI { 296} (( segid "RN15" and resid 155 and name HN )) (( segid "RN15" and resid 155 and name HB2 )) 3.800 1.800 1.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.96931E-03 ppm1 8.604 ppm2 3.055 CV 1 ASSI { 297} (( segid "RN15" and resid 155 and name HN )) ( segid "RN15" and resid 156 and name HG2%) 4.500 2.500 1.500 peak 297 spectrum 1 weight 0.10000E+01 volume 0.69165E-03 ppm1 8.611 ppm2 1.025 CV 1 ASSI { 298} (( segid "RN15" and resid 155 and name HD21)) (( segid "RN15" and resid 155 and name HB1 )) 3.000 1.100 1.100 peak 298 spectrum 1 weight 0.10000E+01 volume 0.18885E-02 ppm1 7.637 ppm2 2.717 CV 1 ASSI { 300} (( segid "RN15" and resid 155 and name HD22)) (( segid "RN15" and resid 155 and name HB1 )) 4.400 2.500 1.600 peak 300 spectrum 1 weight 0.10000E+01 volume 0.98930E-03 ppm1 7.105 ppm2 2.710 CV 1 ASSI { 301} (( segid "RN15" and resid 155 and name HD21)) (( segid "RN15" and resid 155 and name HB2 )) 3.400 1.400 1.400 peak 301 spectrum 1 weight 0.10000E+01 volume 0.11331E-02 ppm1 7.636 ppm2 3.048 CV 1 ASSI { 302} (( segid "RN15" and resid 155 and name HD22)) (( segid "RN15" and resid 155 and name HB2 )) 4.500 2.500 1.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.99804E-03 ppm1 7.106 ppm2 3.042 CV 1 ASSI { 304} (( segid "RN15" and resid 155 and name HD22)) (( segid "RN15" and resid 155 and name HD21)) 1.900 0.400 0.400 peak 304 spectrum 1 weight 0.10000E+01 volume 0.12032E-01 ppm1 7.108 ppm2 7.637 CV 1 ASSI { 306} (( segid "RN15" and resid 155 and name HD21)) (( segid "RN15" and resid 158 and name HB1 )) 5.300 3.500 0.700 peak 306 spectrum 1 weight 0.10000E+01 volume 0.12757E-03 ppm1 7.633 ppm2 1.924 CV 1 ASSI { 307} (( segid "RN15" and resid 155 and name HD22)) (( segid "RN15" and resid 158 and name HB1 )) 6.000 4.500 0.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.93052E-04 ppm1 7.112 ppm2 1.944 CV 1 ASSI { 308} (( segid "RN15" and resid 155 and name HD21)) (( segid "RN15" and resid 158 and name HB2 )) 4.700 2.800 1.300 peak 308 spectrum 1 weight 0.10000E+01 volume 0.16259E-03 ppm1 7.638 ppm2 2.095 CV 1 ASSI { 309} (( segid "RN15" and resid 155 and name HD22)) (( segid "RN15" and resid 158 and name HB2 )) 4.300 2.400 1.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.34894E-03 ppm1 7.107 ppm2 2.094 CV 1 ASSI { 310} (( segid "RN15" and resid 155 and name HD21)) (( segid "RN15" and resid 158 and name HG1 )) 4.800 2.900 1.200 peak 310 spectrum 1 weight 0.10000E+01 volume 0.31017E-03 ppm1 7.635 ppm2 2.384 CV 1 ASSI { 311} (( segid "RN15" and resid 155 and name HD22)) (( segid "RN15" and resid 158 and name HG1 )) 5.200 3.400 0.800 peak 311 spectrum 1 weight 0.10000E+01 volume 0.25639E-03 ppm1 7.111 ppm2 2.386 CV 1 ASSI { 314} (( segid "RN15" and resid 156 and name HN )) (( segid "RN15" and resid 154 and name HB )) 4.900 3.000 1.100 peak 314 spectrum 1 weight 0.10000E+01 volume 0.16759E-03 ppm1 8.036 ppm2 1.193 CV 1 ASSI { 315} (( segid "RN15" and resid 156 and name HN )) ( segid "RN15" and resid 154 and name HG1%) 4.000 2.000 2.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.46401E-03 ppm1 8.035 ppm2 0.352 CV 1 ASSI { 316} (( segid "RN15" and resid 156 and name HN )) ( segid "RN15" and resid 154 and name HG2%) 6.000 5.800 0.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.90551E-04 ppm1 8.028 ppm2 0.181 CV 1 ASSI { 317} (( segid "RN15" and resid 156 and name HN )) (( segid "RN15" and resid 156 and name HB )) 3.500 1.500 1.500 peak 317 spectrum 1 weight 0.10000E+01 volume 0.26515E-02 ppm1 8.034 ppm2 2.175 CV 1 ASSI { 318} (( segid "RN15" and resid 156 and name HN )) (( segid "RN15" and resid 156 and name HG11)) 2.200 0.600 0.600 peak 318 spectrum 1 weight 0.10000E+01 volume 0.73415E-02 ppm1 8.034 ppm2 1.428 CV 1 OR { 318} (( segid "RN15" and resid 156 and name HN )) (( segid "RN15" and resid 156 and name HG12)) ASSI { 319} (( segid "RN15" and resid 156 and name HN )) ( segid "RN15" and resid 156 and name HG2%) 2.300 0.700 0.700 peak 319 spectrum 1 weight 0.10000E+01 volume 0.67789E-02 ppm1 8.034 ppm2 1.021 CV 1 ASSI { 323} (( segid "RN15" and resid 157 and name HN )) (( segid "RN15" and resid 156 and name HN )) 2.400 0.700 0.700 peak 323 spectrum 1 weight 0.10000E+01 volume 0.44275E-02 ppm1 8.142 ppm2 8.028 CV 1 ASSI { 324} (( segid "RN15" and resid 157 and name HN )) (( segid "RN15" and resid 156 and name HA )) 2.700 0.900 0.900 peak 324 spectrum 1 weight 0.10000E+01 volume 0.35895E-02 ppm1 8.139 ppm2 4.607 CV 1 ASSI { 325} (( segid "RN15" and resid 157 and name HN )) (( segid "RN15" and resid 156 and name HB )) 3.600 1.700 1.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.16134E-02 ppm1 8.138 ppm2 2.155 CV 1 ASSI { 326} (( segid "RN15" and resid 157 and name HN )) (( segid "RN15" and resid 156 and name HG12)) 3.600 1.600 1.600 peak 326 spectrum 1 weight 0.10000E+01 volume 0.12432E-02 ppm1 8.129 ppm2 1.429 CV 1 OR { 326} (( segid "RN15" and resid 157 and name HN )) (( segid "RN15" and resid 156 and name HG11)) ASSI { 327} (( segid "RN15" and resid 157 and name HN )) ( segid "RN15" and resid 156 and name HG2%) 6.000 4.700 0.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.12757E-03 ppm1 8.136 ppm2 1.024 CV 1 ASSI { 328} (( segid "RN15" and resid 157 and name HN )) (( segid "RN15" and resid 157 and name HB1 )) 2.700 0.900 0.900 peak 328 spectrum 1 weight 0.10000E+01 volume 0.62659E-02 ppm1 8.142 ppm2 2.825 CV 1 OR { 328} (( segid "RN15" and resid 157 and name HN )) (( segid "RN15" and resid 157 and name HB2 )) ASSI { 329} (( segid "RN15" and resid 157 and name HN )) (( segid "RN15" and resid 158 and name HN )) 2.700 0.900 0.900 peak 329 spectrum 1 weight 0.10000E+01 volume 0.21262E-02 ppm1 8.143 ppm2 7.717 CV 1 ASSI { 330} (( segid "RN15" and resid 157 and name HD21)) (( segid "RN15" and resid 157 and name HB2 )) 3.000 1.200 1.200 peak 330 spectrum 1 weight 0.10000E+01 volume 0.22637E-02 ppm1 7.617 ppm2 2.824 CV 1 OR { 330} (( segid "RN15" and resid 157 and name HD21)) (( segid "RN15" and resid 157 and name HB1 )) ASSI { 331} (( segid "RN15" and resid 157 and name HD22)) (( segid "RN15" and resid 157 and name HB2 )) 4.300 2.300 1.700 peak 331 spectrum 1 weight 0.10000E+01 volume 0.10231E-02 ppm1 6.979 ppm2 2.826 CV 1 OR { 331} (( segid "RN15" and resid 157 and name HD22)) (( segid "RN15" and resid 157 and name HB1 )) ASSI { 332} (( segid "RN15" and resid 157 and name HD21)) (( segid "RN15" and resid 157 and name HD22)) 2.000 0.500 0.500 peak 332 spectrum 1 weight 0.10000E+01 volume 0.64910E-02 ppm1 7.622 ppm2 6.984 CV 1 ASSI { 333} (( segid "RN15" and resid 157 and name HD21)) ( segid "RN15" and resid 159 and name HG2%) 6.000 4.500 0.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.618 ppm2 0.998 CV 1 ASSI { 334} (( segid "RN15" and resid 157 and name HD22)) ( segid "RN15" and resid 159 and name HG2%) 5.000 3.100 1.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.68411E-03 ppm1 6.988 ppm2 0.969 CV 1 ASSI { 335} (( segid "RN15" and resid 158 and name HN )) (( segid "RN15" and resid 155 and name HA )) 3.400 3.400 2.600 peak 335 spectrum 1 weight 0.10000E+01 volume 0.36645E-03 ppm1 7.730 ppm2 4.887 CV 1 ASSI { 337} (( segid "RN15" and resid 158 and name HN )) (( segid "RN15" and resid 157 and name HB2 )) 3.700 1.700 1.700 peak 337 spectrum 1 weight 0.10000E+01 volume 0.17635E-02 ppm1 7.721 ppm2 2.826 CV 1 OR { 337} (( segid "RN15" and resid 158 and name HN )) (( segid "RN15" and resid 157 and name HB1 )) ASSI { 338} (( segid "RN15" and resid 158 and name HN )) (( segid "RN15" and resid 157 and name HD21)) 4.000 2.000 2.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.25389E-03 ppm1 7.729 ppm2 7.594 CV 1 ASSI { 339} (( segid "RN15" and resid 158 and name HN )) (( segid "RN15" and resid 158 and name HA )) 2.800 1.000 1.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.31767E-02 ppm1 7.724 ppm2 4.616 CV 1 ASSI { 340} (( segid "RN15" and resid 158 and name HN )) (( segid "RN15" and resid 158 and name HB1 )) 3.000 1.100 1.100 peak 340 spectrum 1 weight 0.10000E+01 volume 0.29641E-02 ppm1 7.722 ppm2 1.935 CV 1 ASSI { 341} (( segid "RN15" and resid 158 and name HN )) (( segid "RN15" and resid 158 and name HB2 )) 3.100 1.200 1.200 peak 341 spectrum 1 weight 0.10000E+01 volume 0.14008E-02 ppm1 7.723 ppm2 2.097 CV 1 ASSI { 342} (( segid "RN15" and resid 158 and name HN )) (( segid "RN15" and resid 158 and name HG1 )) 4.600 2.600 1.400 peak 342 spectrum 1 weight 0.10000E+01 volume 0.38021E-03 ppm1 7.723 ppm2 2.384 CV 1 ASSI { 345} (( segid "RN15" and resid 158 and name HN )) ( segid "RN15" and resid 159 and name HG2%) 4.900 3.000 1.100 peak 345 spectrum 1 weight 0.10000E+01 volume 0.44275E-03 ppm1 7.722 ppm2 1.013 CV 1 ASSI { 346} (( segid "RN15" and resid 159 and name HN )) ( segid "RN15" and resid 154 and name HG1%) 4.500 2.600 1.500 peak 346 spectrum 1 weight 0.10000E+01 volume 0.54155E-03 ppm1 7.983 ppm2 0.342 CV 1 ASSI { 347} (( segid "RN15" and resid 159 and name HN )) (( segid "RN15" and resid 155 and name HB2 )) 2.600 2.600 3.400 peak 347 spectrum 1 weight 0.10000E+01 volume 0.17135E-02 ppm1 7.981 ppm2 3.028 CV 1 ASSI { 348} (( segid "RN15" and resid 159 and name HN )) (( segid "RN15" and resid 157 and name HN )) 4.200 2.200 1.800 peak 348 spectrum 1 weight 0.10000E+01 volume 0.11106E-02 ppm1 7.980 ppm2 8.113 CV 1 ASSI { 349} (( segid "RN15" and resid 159 and name HN )) (( segid "RN15" and resid 157 and name HB2 )) 3.300 3.300 2.700 peak 349 spectrum 1 weight 0.10000E+01 volume 0.44275E-03 ppm1 7.984 ppm2 2.826 CV 1 OR { 349} (( segid "RN15" and resid 159 and name HN )) (( segid "RN15" and resid 157 and name HB1 )) ASSI { 350} (( segid "RN15" and resid 159 and name HN )) (( segid "RN15" and resid 158 and name HN )) 2.200 0.600 0.600 peak 350 spectrum 1 weight 0.10000E+01 volume 0.71913E-02 ppm1 7.978 ppm2 7.722 CV 1 ASSI { 351} (( segid "RN15" and resid 159 and name HN )) (( segid "RN15" and resid 158 and name HB1 )) 3.200 1.300 1.300 peak 351 spectrum 1 weight 0.10000E+01 volume 0.23763E-02 ppm1 7.979 ppm2 1.929 CV 1 ASSI { 352} (( segid "RN15" and resid 159 and name HN )) (( segid "RN15" and resid 158 and name HB2 )) 3.300 1.300 1.300 peak 352 spectrum 1 weight 0.10000E+01 volume 0.26390E-02 ppm1 7.979 ppm2 2.096 CV 1 ASSI { 353} (( segid "RN15" and resid 159 and name HN )) (( segid "RN15" and resid 158 and name HG1 )) 4.700 2.800 1.300 peak 353 spectrum 1 weight 0.10000E+01 volume 0.39772E-03 ppm1 7.982 ppm2 2.379 CV 1 ASSI { 355} (( segid "RN15" and resid 159 and name HN )) (( segid "RN15" and resid 159 and name HA )) 2.500 0.800 0.800 peak 355 spectrum 1 weight 0.10000E+01 volume 0.76042E-02 ppm1 7.978 ppm2 4.605 CV 1 ASSI { 356} (( segid "RN15" and resid 159 and name HN )) (( segid "RN15" and resid 159 and name HB )) 3.200 1.300 1.300 peak 356 spectrum 1 weight 0.10000E+01 volume 0.19260E-02 ppm1 7.977 ppm2 4.006 CV 1 ASSI { 357} (( segid "RN15" and resid 159 and name HN )) ( segid "RN15" and resid 159 and name HG2%) 2.500 0.800 0.800 peak 357 spectrum 1 weight 0.10000E+01 volume 0.61911E-02 ppm1 7.979 ppm2 1.014 CV 1 ASSI { 358} (( segid "RN15" and resid 160 and name HN )) (( segid "RN15" and resid 159 and name HA )) 2.400 0.700 0.700 peak 358 spectrum 1 weight 0.10000E+01 volume 0.73918E-02 ppm1 7.997 ppm2 4.624 CV 1 ASSI { 359} (( segid "RN15" and resid 160 and name HN )) (( segid "RN15" and resid 159 and name HB )) 4.100 2.100 1.900 peak 359 spectrum 1 weight 0.10000E+01 volume 0.10644E-02 ppm1 7.999 ppm2 3.994 CV 1 ASSI { 360} (( segid "RN15" and resid 160 and name HN )) ( segid "RN15" and resid 159 and name HG2%) 3.000 1.100 1.100 peak 360 spectrum 1 weight 0.10000E+01 volume 0.25389E-02 ppm1 7.997 ppm2 1.023 CV 1 ASSI { 361} (( segid "RN15" and resid 160 and name HN )) ( segid "RN15" and resid 160 and name HG2%) 2.700 0.900 0.900 peak 361 spectrum 1 weight 0.10000E+01 volume 0.34394E-02 ppm1 7.997 ppm2 1.281 CV 1 ASSI { 362} (( segid "RN15" and resid 160 and name HN )) (( segid "RN15" and resid 161 and name HD2 )) 4.600 2.700 1.400 peak 362 spectrum 1 weight 0.10000E+01 volume 0.72038E-03 ppm1 8.003 ppm2 3.681 CV 1 ASSI { 363} (( segid "RN15" and resid 160 and name HN )) (( segid "RN15" and resid 163 and name HN )) 6.000 4.500 0.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.002 ppm2 7.870 CV 1 ASSI { 364} (( segid "RN15" and resid 160 and name HN )) (( segid "RN15" and resid 163 and name HB1 )) 3.700 1.700 1.700 peak 364 spectrum 1 weight 0.10000E+01 volume 0.17260E-02 ppm1 7.999 ppm2 2.208 CV 1 ASSI { 365} (( segid "RN15" and resid 160 and name HN )) (( segid "RN15" and resid 163 and name HB2 )) 2.500 0.800 0.800 peak 365 spectrum 1 weight 0.10000E+01 volume 0.47276E-02 ppm1 7.998 ppm2 2.132 CV 1 ASSI { 366} (( segid "RN15" and resid 160 and name HN )) (( segid "RN15" and resid 163 and name HG1 )) 3.900 1.900 1.900 peak 366 spectrum 1 weight 0.10000E+01 volume 0.86672E-03 ppm1 7.997 ppm2 2.626 CV 1 ASSI { 367} (( segid "RN15" and resid 160 and name HN )) (( segid "RN15" and resid 163 and name HG2 )) 4.200 2.200 1.800 peak 367 spectrum 1 weight 0.10000E+01 volume 0.63659E-03 ppm1 8.000 ppm2 2.575 CV 1 ASSI { 369} (( segid "RN15" and resid 162 and name HN )) (( segid "RN14" and resid 643 and name HG2 )) 3.600 1.600 1.600 peak 369 spectrum 1 weight 0.10000E+01 volume 0.20386E-02 ppm1 8.093 ppm2 1.593 CV 1 ASSI { 374} (( segid "RN15" and resid 162 and name HN )) (( segid "RN15" and resid 160 and name HB )) 3.600 1.600 1.600 peak 374 spectrum 1 weight 0.10000E+01 volume 0.20386E-02 ppm1 8.094 ppm2 4.585 CV 1 ASSI { 375} (( segid "RN15" and resid 162 and name HN )) (( segid "RN15" and resid 161 and name HA )) 4.000 2.000 2.000 peak 375 spectrum 1 weight 0.10000E+01 volume 0.49027E-03 ppm1 8.090 ppm2 3.890 CV 1 ASSI { 376} (( segid "RN15" and resid 162 and name HN )) (( segid "RN15" and resid 161 and name HD2 )) 3.400 1.400 1.400 peak 376 spectrum 1 weight 0.10000E+01 volume 0.61032E-03 ppm1 8.096 ppm2 3.701 CV 1 ASSI { 377} (( segid "RN15" and resid 162 and name HN )) (( segid "RN15" and resid 162 and name HA )) 2.600 0.800 0.800 peak 377 spectrum 1 weight 0.10000E+01 volume 0.54280E-02 ppm1 8.094 ppm2 3.957 CV 1 ASSI { 378} (( segid "RN15" and resid 162 and name HN )) ( segid "RN15" and resid 162 and name HB% ) 2.300 0.700 0.700 peak 378 spectrum 1 weight 0.10000E+01 volume 0.12319E-01 ppm1 8.093 ppm2 1.431 CV 1 ASSI { 379} (( segid "RN15" and resid 162 and name HN )) (( segid "RN15" and resid 163 and name HA )) 5.600 3.900 0.400 peak 379 spectrum 1 weight 0.10000E+01 volume 0.29016E-03 ppm1 8.091 ppm2 4.271 CV 1 ASSI { 380} (( segid "RN15" and resid 162 and name HN )) ( segid "RN15" and resid 165 and name HD1%) 4.400 2.400 1.600 peak 380 spectrum 1 weight 0.10000E+01 volume 0.64784E-03 ppm1 8.089 ppm2 0.922 CV 1 ASSI { 387} (( segid "RN15" and resid 163 and name HN )) (( segid "RN15" and resid 162 and name HN )) 2.600 0.900 0.900 peak 387 spectrum 1 weight 0.10000E+01 volume 0.37646E-02 ppm1 7.881 ppm2 8.081 CV 1 ASSI { 388} (( segid "RN15" and resid 163 and name HN )) (( segid "RN15" and resid 162 and name HA )) 3.100 1.200 1.200 peak 388 spectrum 1 weight 0.10000E+01 volume 0.25264E-02 ppm1 7.879 ppm2 3.952 CV 1 ASSI { 389} (( segid "RN15" and resid 163 and name HN )) ( segid "RN15" and resid 162 and name HB% ) 2.700 0.900 0.900 peak 389 spectrum 1 weight 0.10000E+01 volume 0.45525E-02 ppm1 7.879 ppm2 1.431 CV 1 ASSI { 390} (( segid "RN15" and resid 163 and name HN )) (( segid "RN15" and resid 163 and name HA )) 2.900 1.000 1.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.30767E-02 ppm1 7.878 ppm2 4.263 CV 1 ASSI { 391} (( segid "RN15" and resid 163 and name HN )) (( segid "RN15" and resid 163 and name HB2 )) 2.300 0.600 0.600 peak 391 spectrum 1 weight 0.10000E+01 volume 0.54155E-02 ppm1 7.879 ppm2 2.125 CV 1 ASSI { 392} (( segid "RN15" and resid 163 and name HN )) (( segid "RN15" and resid 165 and name HG11)) 4.400 2.400 1.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.56656E-03 ppm1 7.875 ppm2 1.957 CV 1 ASSI { 399} (( segid "RN15" and resid 164 and name HN )) ( segid "RN15" and resid 154 and name HG1%) 6.000 4.500 0.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.924 ppm2 0.355 CV 1 ASSI { 400} (( segid "RN15" and resid 164 and name HN )) ( segid "RN15" and resid 154 and name HG2%) 6.000 4.500 0.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.924 ppm2 0.182 CV 1 ASSI { 401} (( segid "RN15" and resid 164 and name HN )) (( segid "RN15" and resid 162 and name HN )) 6.000 4.500 0.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.919 ppm2 8.071 CV 1 ASSI { 402} (( segid "RN15" and resid 164 and name HN )) (( segid "RN15" and resid 163 and name HA )) 3.600 1.600 1.600 peak 402 spectrum 1 weight 0.10000E+01 volume 0.10631E-02 ppm1 7.918 ppm2 4.283 CV 1 ASSI { 403} (( segid "RN15" and resid 164 and name HN )) (( segid "RN15" and resid 164 and name HA )) 3.000 1.200 1.200 peak 403 spectrum 1 weight 0.10000E+01 volume 0.21262E-02 ppm1 7.918 ppm2 4.323 CV 1 ASSI { 404} (( segid "RN15" and resid 164 and name HN )) (( segid "RN15" and resid 164 and name HB1 )) 3.000 1.100 1.100 peak 404 spectrum 1 weight 0.10000E+01 volume 0.82423E-02 ppm1 7.918 ppm2 2.112 CV 1 ASSI { 405} (( segid "RN15" and resid 164 and name HN )) (( segid "RN15" and resid 164 and name HB2 )) 2.800 1.000 1.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.17760E-02 ppm1 7.917 ppm2 2.166 CV 1 ASSI { 406} (( segid "RN15" and resid 164 and name HN )) (( segid "RN15" and resid 164 and name HG1 )) 3.400 1.500 1.500 peak 406 spectrum 1 weight 0.10000E+01 volume 0.14008E-02 ppm1 7.918 ppm2 2.490 CV 1 ASSI { 407} (( segid "RN15" and resid 164 and name HN )) (( segid "RN15" and resid 164 and name HG2 )) 2.800 1.000 1.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.23013E-02 ppm1 7.918 ppm2 2.603 CV 1 ASSI { 408} (( segid "RN15" and resid 164 and name HN )) (( segid "RN15" and resid 165 and name HG11)) 5.000 3.200 1.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.25389E-03 ppm1 7.916 ppm2 1.926 CV 1 ASSI { 409} (( segid "RN15" and resid 165 and name HN )) (( segid "RN15" and resid 164 and name HA )) 4.200 2.200 1.800 peak 409 spectrum 1 weight 0.10000E+01 volume 0.37771E-03 ppm1 7.848 ppm2 4.323 CV 1 ASSI { 410} (( segid "RN15" and resid 165 and name HN )) (( segid "RN15" and resid 165 and name HA )) 2.600 0.900 0.900 peak 410 spectrum 1 weight 0.10000E+01 volume 0.28016E-02 ppm1 7.867 ppm2 3.630 CV 1 ASSI { 413} (( segid "RN15" and resid 166 and name HN )) (( segid "RN15" and resid 163 and name HA )) 2.800 1.000 1.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.43149E-02 ppm1 8.271 ppm2 4.257 CV 1 ASSI { 414} (( segid "RN15" and resid 166 and name HN )) (( segid "RN15" and resid 165 and name HN )) 2.400 0.700 0.700 peak 414 spectrum 1 weight 0.10000E+01 volume 0.38396E-02 ppm1 8.274 ppm2 7.872 CV 1 ASSI { 415} (( segid "RN15" and resid 166 and name HN )) (( segid "RN15" and resid 165 and name HA )) 3.700 1.700 1.700 peak 415 spectrum 1 weight 0.10000E+01 volume 0.63282E-03 ppm1 8.278 ppm2 3.630 CV 1 ASSI { 416} (( segid "RN15" and resid 166 and name HN )) (( segid "RN15" and resid 165 and name HB )) 2.600 0.800 0.800 peak 416 spectrum 1 weight 0.10000E+01 volume 0.41773E-02 ppm1 8.273 ppm2 2.195 CV 1 ASSI { 417} (( segid "RN15" and resid 166 and name HN )) ( segid "RN15" and resid 165 and name HG2%) 3.300 1.400 1.400 peak 417 spectrum 1 weight 0.10000E+01 volume 0.30767E-02 ppm1 8.273 ppm2 0.889 CV 1 ASSI { 418} (( segid "RN15" and resid 166 and name HN )) (( segid "RN15" and resid 166 and name HA )) 2.600 0.900 0.900 peak 418 spectrum 1 weight 0.10000E+01 volume 0.47777E-02 ppm1 8.270 ppm2 4.109 CV 1 ASSI { 419} (( segid "RN15" and resid 166 and name HN )) (( segid "RN15" and resid 166 and name HB1 )) 2.500 0.800 0.800 peak 419 spectrum 1 weight 0.10000E+01 volume 0.70662E-02 ppm1 8.273 ppm2 3.965 CV 1 OR { 419} (( segid "RN15" and resid 166 and name HN )) (( segid "RN15" and resid 166 and name HB2 )) ASSI { 421} (( segid "RN15" and resid 166 and name HN )) (( segid "RN15" and resid 168 and name HN )) 6.000 6.000 0.000 peak 421 spectrum 1 weight 0.10000E+01 volume 0.25389E-04 ppm1 8.279 ppm2 7.748 CV 1 ASSI { 422} (( segid "RN15" and resid 166 and name HN )) ( segid "RN15" and resid 169 and name HD1%) 5.600 4.000 0.400 peak 422 spectrum 1 weight 0.10000E+01 volume 0.14508E-03 ppm1 8.280 ppm2 0.778 CV 1 ASSI { 423} (( segid "RN15" and resid 166 and name HN )) ( segid "RN15" and resid 170 and name HB% ) 4.400 2.500 1.600 peak 423 spectrum 1 weight 0.10000E+01 volume 0.93801E-03 ppm1 8.275 ppm2 1.466 CV 1 ASSI { 427} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 164 and name HN )) 4.400 2.400 1.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.36770E-03 ppm1 8.397 ppm2 7.909 CV 1 ASSI { 433} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 165 and name HB )) 6.000 6.000 0.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.15258E-04 ppm1 8.402 ppm2 2.215 CV 1 ASSI { 434} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 166 and name HN )) 2.700 0.900 0.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.35394E-02 ppm1 8.398 ppm2 8.267 CV 1 ASSI { 435} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 168 and name HN )) 2.800 1.000 1.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.31267E-02 ppm1 8.402 ppm2 7.758 CV 1 ASSI { 439} (( segid "RN15" and resid 168 and name HN )) (( segid "RN15" and resid 165 and name HA )) 4.500 2.500 1.500 peak 439 spectrum 1 weight 0.10000E+01 volume 0.26390E-03 ppm1 7.760 ppm2 3.627 CV 1 ASSI { 440} (( segid "RN15" and resid 168 and name HN )) (( segid "RN15" and resid 167 and name HA )) 3.300 1.400 1.400 peak 440 spectrum 1 weight 0.10000E+01 volume 0.21512E-02 ppm1 7.758 ppm2 4.203 CV 1 ASSI { 444} (( segid "RN15" and resid 168 and name HN )) (( segid "RN15" and resid 168 and name HA )) 2.700 0.900 0.900 peak 444 spectrum 1 weight 0.10000E+01 volume 0.36895E-02 ppm1 7.760 ppm2 4.083 CV 1 ASSI { 445} (( segid "RN15" and resid 168 and name HN )) (( segid "RN15" and resid 168 and name HG1 )) 3.500 1.500 1.500 peak 445 spectrum 1 weight 0.10000E+01 volume 0.28390E-02 ppm1 7.760 ppm2 2.364 CV 1 OR { 445} (( segid "RN15" and resid 168 and name HN )) (( segid "RN15" and resid 168 and name HG2 )) ASSI { 446} (( segid "RN15" and resid 168 and name HN )) (( segid "RN15" and resid 169 and name HN )) 2.600 0.800 0.800 peak 446 spectrum 1 weight 0.10000E+01 volume 0.45025E-02 ppm1 7.759 ppm2 8.421 CV 1 ASSI { 447} (( segid "RN15" and resid 168 and name HN )) (( segid "RN15" and resid 171 and name HN )) 6.000 4.500 0.000 peak 447 spectrum 1 weight 0.10000E+01 volume 0.61283E-04 ppm1 7.761 ppm2 7.095 CV 1 ASSI { 451} (( segid "RN15" and resid 169 and name HN )) (( segid "RN15" and resid 172 and name HN )) 4.300 2.300 1.700 peak 451 spectrum 1 weight 0.10000E+01 volume 0.57530E-03 ppm1 8.435 ppm2 7.796 CV 1 ASSI { 454} (( segid "RN15" and resid 169 and name HN )) (( segid "RN15" and resid 169 and name HA )) 2.800 1.000 1.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.24138E-02 ppm1 8.435 ppm2 3.867 CV 1 ASSI { 455} (( segid "RN15" and resid 169 and name HN )) (( segid "RN15" and resid 169 and name HB1 )) 2.900 1.000 1.000 peak 455 spectrum 1 weight 0.10000E+01 volume 0.73038E-02 ppm1 8.434 ppm2 1.939 CV 1 ASSI { 456} (( segid "RN15" and resid 169 and name HN )) (( segid "RN15" and resid 169 and name HB2 )) 2.600 0.800 0.800 peak 456 spectrum 1 weight 0.10000E+01 volume 0.23763E-02 ppm1 8.437 ppm2 1.331 CV 1 ASSI { 457} (( segid "RN15" and resid 169 and name HN )) ( segid "RN15" and resid 169 and name HD1%) 4.000 2.000 2.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.14883E-02 ppm1 8.438 ppm2 0.771 CV 1 ASSI { 458} (( segid "RN15" and resid 169 and name HN )) ( segid "RN15" and resid 169 and name HD2%) 3.400 1.500 1.500 peak 458 spectrum 1 weight 0.10000E+01 volume 0.28766E-02 ppm1 8.438 ppm2 0.620 CV 1 ASSI { 459} (( segid "RN15" and resid 169 and name HN )) (( segid "RN15" and resid 170 and name HN )) 2.400 0.700 0.700 peak 459 spectrum 1 weight 0.10000E+01 volume 0.57781E-02 ppm1 8.435 ppm2 7.704 CV 1 ASSI { 460} (( segid "RN15" and resid 169 and name HN )) ( segid "RN15" and resid 170 and name HB% ) 4.200 2.200 1.800 peak 460 spectrum 1 weight 0.10000E+01 volume 0.17885E-02 ppm1 8.437 ppm2 1.489 CV 1 ASSI { 461} (( segid "RN15" and resid 169 and name HN )) (( segid "RN15" and resid 171 and name HN )) 4.500 2.500 1.500 peak 461 spectrum 1 weight 0.10000E+01 volume 0.31393E-03 ppm1 8.440 ppm2 7.101 CV 1 ASSI { 469} (( segid "RN15" and resid 170 and name HN )) (( segid "RN15" and resid 169 and name HA )) 3.200 1.300 1.300 peak 469 spectrum 1 weight 0.10000E+01 volume 0.17260E-02 ppm1 7.680 ppm2 3.863 CV 1 ASSI { 470} (( segid "RN15" and resid 170 and name HN )) (( segid "RN15" and resid 169 and name HB2 )) 2.900 1.100 1.100 peak 470 spectrum 1 weight 0.10000E+01 volume 0.96302E-03 ppm1 7.680 ppm2 1.341 CV 1 ASSI { 471} (( segid "RN15" and resid 170 and name HN )) ( segid "RN15" and resid 169 and name HD1%) 5.000 3.200 1.000 peak 471 spectrum 1 weight 0.10000E+01 volume 0.57279E-03 ppm1 7.681 ppm2 0.788 CV 1 ASSI { 472} (( segid "RN15" and resid 170 and name HN )) ( segid "RN15" and resid 169 and name HD2%) 6.000 4.900 0.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.19010E-03 ppm1 7.684 ppm2 0.608 CV 1 ASSI { 473} (( segid "RN15" and resid 170 and name HN )) (( segid "RN15" and resid 170 and name HA )) 2.500 0.800 0.800 peak 473 spectrum 1 weight 0.10000E+01 volume 0.75791E-02 ppm1 7.680 ppm2 4.141 CV 1 ASSI { 474} (( segid "RN15" and resid 170 and name HN )) ( segid "RN15" and resid 170 and name HB% ) 2.200 0.600 0.600 peak 474 spectrum 1 weight 0.10000E+01 volume 0.14633E-01 ppm1 7.680 ppm2 1.487 CV 1 ASSI { 476} (( segid "RN15" and resid 170 and name HN )) (( segid "RN15" and resid 171 and name HN )) 2.600 0.800 0.800 peak 476 spectrum 1 weight 0.10000E+01 volume 0.39897E-02 ppm1 7.681 ppm2 7.090 CV 1 ASSI { 477} (( segid "RN15" and resid 170 and name HN )) (( segid "RN15" and resid 172 and name HG1 )) 5.300 3.400 0.700 peak 477 spectrum 1 weight 0.10000E+01 volume 0.21887E-03 ppm1 7.682 ppm2 1.643 CV 1 ASSI { 478} (( segid "RN15" and resid 171 and name HN )) ( segid "RN15" and resid 170 and name HB% ) 2.800 1.000 1.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.60786E-02 ppm1 7.091 ppm2 1.467 CV 1 ASSI { 479} (( segid "RN15" and resid 171 and name HN )) (( segid "RN15" and resid 168 and name HA )) 3.900 1.900 1.900 peak 479 spectrum 1 weight 0.10000E+01 volume 0.57279E-03 ppm1 7.094 ppm2 4.095 CV 1 ASSI { 480} (( segid "RN15" and resid 171 and name HN )) (( segid "RN15" and resid 169 and name HA )) 3.800 1.800 1.800 peak 480 spectrum 1 weight 0.10000E+01 volume 0.64784E-03 ppm1 7.086 ppm2 3.862 CV 1 ASSI { 482} (( segid "RN15" and resid 171 and name HN )) (( segid "RN15" and resid 171 and name HA )) 2.700 0.900 0.900 peak 482 spectrum 1 weight 0.10000E+01 volume 0.51153E-02 ppm1 7.090 ppm2 4.170 CV 1 ASSI { 483} (( segid "RN15" and resid 171 and name HN )) (( segid "RN15" and resid 171 and name HB1 )) 2.700 0.900 0.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.46401E-02 ppm1 7.090 ppm2 2.036 CV 1 ASSI { 484} (( segid "RN15" and resid 171 and name HN )) (( segid "RN15" and resid 171 and name HB2 )) 2.700 0.900 0.900 peak 484 spectrum 1 weight 0.10000E+01 volume 0.51653E-02 ppm1 7.090 ppm2 1.864 CV 1 ASSI { 485} (( segid "RN15" and resid 171 and name HN )) (( segid "RN15" and resid 171 and name HE1 )) 5.100 3.200 0.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.36395E-03 ppm1 7.086 ppm2 2.866 CV 1 OR { 485} (( segid "RN15" and resid 171 and name HN )) (( segid "RN15" and resid 171 and name HE2 )) ASSI { 486} (( segid "RN15" and resid 171 and name HN )) (( segid "RN15" and resid 171 and name HG1 )) 2.600 0.800 0.800 peak 486 spectrum 1 weight 0.10000E+01 volume 0.75540E-02 ppm1 7.090 ppm2 1.715 CV 1 ASSI { 489} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 171 and name HN )) 2.300 0.700 0.700 peak 489 spectrum 1 weight 0.10000E+01 volume 0.77916E-02 ppm1 7.790 ppm2 7.090 CV 1 ASSI { 490} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 172 and name HA )) 2.700 0.900 0.900 peak 490 spectrum 1 weight 0.10000E+01 volume 0.31393E-02 ppm1 7.792 ppm2 4.812 CV 1 ASSI { 491} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 173 and name HD2 )) 5.700 4.000 0.300 peak 491 spectrum 1 weight 0.10000E+01 volume 0.34769E-03 ppm1 7.789 ppm2 3.587 CV 1 ASSI { 492} (( segid "RN15" and resid 172 and name HN )) ( segid "RN15" and resid 176 and name HG1%) 6.000 6.000 0.000 peak 492 spectrum 1 weight 0.10000E+01 volume 0.10243E-03 ppm1 7.782 ppm2 1.084 CV 1 ASSI { 493} (( segid "RN15" and resid 172 and name HN )) ( segid "RN15" and resid 176 and name HG2%) 6.000 5.800 0.000 peak 493 spectrum 1 weight 0.10000E+01 volume 0.15508E-03 ppm1 7.803 ppm2 1.185 CV 1 ASSI { 494} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 177 and name HE22)) 3.700 3.700 2.300 peak 494 spectrum 1 weight 0.10000E+01 volume 0.78167E-03 ppm1 7.792 ppm2 6.768 CV 1 ASSI { 495} (( segid "RN15" and resid 174 and name HN )) (( segid "RN15" and resid 173 and name HB2 )) 3.600 1.600 1.600 peak 495 spectrum 1 weight 0.10000E+01 volume 0.21887E-02 ppm1 9.036 ppm2 2.611 CV 1 ASSI { 497} (( segid "RN15" and resid 174 and name HN )) (( segid "RN15" and resid 174 and name HA )) 3.000 1.100 1.100 peak 497 spectrum 1 weight 0.10000E+01 volume 0.17009E-02 ppm1 9.037 ppm2 3.801 CV 1 ASSI { 498} (( segid "RN15" and resid 174 and name HN )) (( segid "RN15" and resid 174 and name HB1 )) 2.700 0.900 0.900 peak 498 spectrum 1 weight 0.10000E+01 volume 0.54280E-02 ppm1 9.037 ppm2 2.002 CV 1 ASSI { 499} (( segid "RN15" and resid 174 and name HN )) (( segid "RN15" and resid 174 and name HB2 )) 2.500 0.800 0.800 peak 499 spectrum 1 weight 0.10000E+01 volume 0.38396E-02 ppm1 9.037 ppm2 1.824 CV 1 ASSI { 500} (( segid "RN15" and resid 174 and name HN )) (( segid "RN15" and resid 174 and name HG1 )) 6.000 4.600 0.000 peak 500 spectrum 1 weight 0.10000E+01 volume 0.18135E-03 ppm1 9.043 ppm2 1.634 CV 1 ASSI { 501} (( segid "RN15" and resid 174 and name HN )) (( segid "RN15" and resid 174 and name HG2 )) 5.600 3.900 0.400 peak 501 spectrum 1 weight 0.10000E+01 volume 0.33393E-03 ppm1 9.036 ppm2 1.430 CV 1 ASSI { 503} (( segid "RN15" and resid 174 and name HN )) (( segid "RN15" and resid 175 and name HA )) 6.000 6.000 0.000 peak 503 spectrum 1 weight 0.10000E+01 volume 0.42148E-04 ppm1 9.038 ppm2 3.989 CV 1 ASSI { 504} (( segid "RN15" and resid 174 and name HN )) (( segid "RN15" and resid 176 and name HN )) 6.000 4.500 0.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.041 ppm2 7.126 CV 1 ASSI { 507} (( segid "RN15" and resid 175 and name HN )) (( segid "RN15" and resid 174 and name HG1 )) 5.100 3.300 0.900 peak 507 spectrum 1 weight 0.10000E+01 volume 0.46651E-03 ppm1 9.543 ppm2 1.644 CV 1 ASSI { 510} (( segid "RN15" and resid 175 and name HN )) (( segid "RN15" and resid 173 and name HB2 )) 3.300 1.400 1.400 peak 510 spectrum 1 weight 0.10000E+01 volume 0.90551E-03 ppm1 9.545 ppm2 2.610 CV 1 ASSI { 511} (( segid "RN15" and resid 175 and name HN )) (( segid "RN15" and resid 174 and name HN )) 2.500 0.800 0.800 peak 511 spectrum 1 weight 0.10000E+01 volume 0.57530E-02 ppm1 9.540 ppm2 9.044 CV 1 ASSI { 512} (( segid "RN15" and resid 175 and name HN )) (( segid "RN15" and resid 174 and name HA )) 3.300 1.400 1.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.14383E-02 ppm1 9.542 ppm2 3.798 CV 1 ASSI { 513} (( segid "RN15" and resid 175 and name HN )) (( segid "RN15" and resid 174 and name HG2 )) 3.800 1.800 1.800 peak 513 spectrum 1 weight 0.10000E+01 volume 0.11194E-02 ppm1 9.539 ppm2 1.402 CV 1 ASSI { 514} (( segid "RN15" and resid 175 and name HN )) (( segid "RN15" and resid 175 and name HA )) 2.600 0.800 0.800 peak 514 spectrum 1 weight 0.10000E+01 volume 0.48777E-02 ppm1 9.543 ppm2 3.995 CV 1 ASSI { 515} (( segid "RN15" and resid 175 and name HN )) (( segid "RN15" and resid 175 and name HB1 )) 2.300 0.700 0.700 peak 515 spectrum 1 weight 0.10000E+01 volume 0.12219E-01 ppm1 9.543 ppm2 2.077 CV 1 ASSI { 516} (( segid "RN15" and resid 175 and name HN )) (( segid "RN15" and resid 175 and name HG1 )) 3.500 1.500 1.500 peak 516 spectrum 1 weight 0.10000E+01 volume 0.43149E-02 ppm1 9.542 ppm2 2.370 CV 1 OR { 516} (( segid "RN15" and resid 175 and name HN )) (( segid "RN15" and resid 175 and name HG2 )) ASSI { 517} (( segid "RN15" and resid 175 and name HN )) (( segid "RN15" and resid 176 and name HN )) 2.800 1.000 1.000 peak 517 spectrum 1 weight 0.10000E+01 volume 0.28265E-02 ppm1 9.542 ppm2 7.133 CV 1 ASSI { 518} (( segid "RN15" and resid 175 and name HN )) ( segid "RN15" and resid 176 and name HG2%) 4.900 3.100 1.100 peak 518 spectrum 1 weight 0.10000E+01 volume 0.65664E-03 ppm1 9.541 ppm2 1.160 CV 1 ASSI { 519} (( segid "RN15" and resid 175 and name HN )) (( segid "RN15" and resid 177 and name HN )) 4.800 2.900 1.200 peak 519 spectrum 1 weight 0.10000E+01 volume 0.29766E-03 ppm1 9.545 ppm2 7.966 CV 1 ASSI { 520} (( segid "RN15" and resid 175 and name HN )) (( segid "RN15" and resid 178 and name HN )) 4.400 2.400 1.600 peak 520 spectrum 1 weight 0.10000E+01 volume 0.49152E-03 ppm1 9.535 ppm2 8.581 CV 1 ASSI { 521} (( segid "RN15" and resid 175 and name HN )) ( segid "RN15" and resid 178 and name HD1%) 4.900 3.000 1.100 peak 521 spectrum 1 weight 0.10000E+01 volume 0.43274E-03 ppm1 9.539 ppm2 0.857 CV 1 OR { 521} (( segid "RN15" and resid 175 and name HN )) ( segid "RN15" and resid 178 and name HD2%) ASSI { 528} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 173 and name HD2 )) 4.700 2.800 1.300 peak 528 spectrum 1 weight 0.10000E+01 volume 0.24889E-03 ppm1 7.120 ppm2 3.591 CV 1 ASSI { 530} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 175 and name HA )) 3.900 1.900 1.900 peak 530 spectrum 1 weight 0.10000E+01 volume 0.60409E-03 ppm1 7.128 ppm2 4.002 CV 1 ASSI { 531} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 175 and name HG2 )) 3.500 1.500 1.500 peak 531 spectrum 1 weight 0.10000E+01 volume 0.27515E-02 ppm1 7.128 ppm2 2.387 CV 1 OR { 531} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 175 and name HG1 )) ASSI { 532} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 176 and name HA )) 2.700 0.900 0.900 peak 532 spectrum 1 weight 0.10000E+01 volume 0.41898E-02 ppm1 7.129 ppm2 3.785 CV 1 ASSI { 533} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 176 and name HB )) 2.200 0.600 0.600 peak 533 spectrum 1 weight 0.10000E+01 volume 0.83674E-02 ppm1 7.129 ppm2 2.219 CV 1 ASSI { 534} (( segid "RN15" and resid 176 and name HN )) ( segid "RN15" and resid 176 and name HG1%) 4.000 2.000 2.000 peak 534 spectrum 1 weight 0.10000E+01 volume 0.26014E-02 ppm1 7.125 ppm2 1.055 CV 1 ASSI { 535} (( segid "RN15" and resid 176 and name HN )) ( segid "RN15" and resid 176 and name HG2%) 2.500 0.800 0.800 peak 535 spectrum 1 weight 0.10000E+01 volume 0.69165E-02 ppm1 7.129 ppm2 1.150 CV 1 ASSI { 536} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 177 and name HN )) 2.600 0.800 0.800 peak 536 spectrum 1 weight 0.10000E+01 volume 0.46651E-02 ppm1 7.129 ppm2 7.968 CV 1 ASSI { 541} (( segid "RN15" and resid 177 and name HN )) (( segid "RN15" and resid 174 and name HG1 )) 4.900 3.000 1.100 peak 541 spectrum 1 weight 0.10000E+01 volume 0.82668E-03 ppm1 7.967 ppm2 1.624 CV 1 ASSI { 543} (( segid "RN15" and resid 177 and name HN )) (( segid "RN15" and resid 175 and name HA )) 4.700 2.700 1.300 peak 543 spectrum 1 weight 0.10000E+01 volume 0.34144E-03 ppm1 7.969 ppm2 4.011 CV 1 ASSI { 545} (( segid "RN15" and resid 177 and name HN )) (( segid "RN15" and resid 176 and name HB )) 2.400 0.700 0.700 peak 545 spectrum 1 weight 0.10000E+01 volume 0.34519E-02 ppm1 7.967 ppm2 2.217 CV 1 ASSI { 546} (( segid "RN15" and resid 177 and name HN )) ( segid "RN15" and resid 176 and name HG1%) 3.200 1.200 1.200 peak 546 spectrum 1 weight 0.10000E+01 volume 0.16384E-02 ppm1 7.967 ppm2 1.088 CV 1 ASSI { 547} (( segid "RN15" and resid 177 and name HN )) ( segid "RN15" and resid 176 and name HG2%) 4.800 2.800 1.200 peak 547 spectrum 1 weight 0.10000E+01 volume 0.81417E-03 ppm1 7.966 ppm2 1.157 CV 1 ASSI { 548} (( segid "RN15" and resid 177 and name HN )) (( segid "RN15" and resid 177 and name HB1 )) 2.300 0.700 0.700 peak 548 spectrum 1 weight 0.10000E+01 volume 0.45900E-02 ppm1 7.966 ppm2 1.812 CV 1 ASSI { 549} (( segid "RN15" and resid 177 and name HN )) (( segid "RN15" and resid 177 and name HB2 )) 3.000 1.100 1.100 peak 549 spectrum 1 weight 0.10000E+01 volume 0.49277E-02 ppm1 7.967 ppm2 2.016 CV 1 ASSI { 550} (( segid "RN15" and resid 177 and name HN )) (( segid "RN15" and resid 177 and name HE22)) 5.800 4.200 0.200 peak 550 spectrum 1 weight 0.10000E+01 volume 0.19511E-03 ppm1 7.974 ppm2 6.784 CV 1 ASSI { 551} (( segid "RN15" and resid 177 and name HN )) (( segid "RN15" and resid 177 and name HG1 )) 3.700 1.700 1.700 peak 551 spectrum 1 weight 0.10000E+01 volume 0.30142E-02 ppm1 7.967 ppm2 2.506 CV 1 ASSI { 552} (( segid "RN15" and resid 177 and name HN )) (( segid "RN15" and resid 177 and name HG2 )) 2.100 0.600 0.600 peak 552 spectrum 1 weight 0.10000E+01 volume 0.38896E-02 ppm1 7.968 ppm2 2.638 CV 1 ASSI { 553} (( segid "RN15" and resid 177 and name HN )) (( segid "RN15" and resid 178 and name HN )) 2.700 0.900 0.900 peak 553 spectrum 1 weight 0.10000E+01 volume 0.26390E-02 ppm1 7.968 ppm2 8.591 CV 1 ASSI { 554} (( segid "RN15" and resid 177 and name HN )) ( segid "RN15" and resid 178 and name HD2%) 4.700 2.800 1.300 peak 554 spectrum 1 weight 0.10000E+01 volume 0.14008E-02 ppm1 7.972 ppm2 0.862 CV 1 OR { 554} (( segid "RN15" and resid 177 and name HN )) ( segid "RN15" and resid 178 and name HD1%) ASSI { 555} (( segid "RN15" and resid 177 and name HN )) (( segid "RN15" and resid 180 and name HN )) 4.300 2.300 1.700 peak 555 spectrum 1 weight 0.10000E+01 volume 0.46776E-03 ppm1 7.981 ppm2 8.123 CV 1 ASSI { 556} (( segid "RN15" and resid 177 and name HN )) ( segid "RN15" and resid 212 and name HD2%) 4.600 2.600 1.400 peak 556 spectrum 1 weight 0.10000E+01 volume 0.71667E-03 ppm1 7.972 ppm2 0.717 CV 1 OR { 556} (( segid "RN15" and resid 177 and name HN )) ( segid "RN15" and resid 212 and name HD1%) ASSI { 557} (( segid "RN15" and resid 177 and name HE21)) ( segid "RN15" and resid 170 and name HB% ) 6.000 5.200 0.000 peak 557 spectrum 1 weight 0.10000E+01 volume 0.20386E-03 ppm1 7.062 ppm2 1.516 CV 1 ASSI { 558} (( segid "RN15" and resid 177 and name HE21)) (( segid "RN15" and resid 174 and name HA )) 4.800 2.900 1.200 peak 558 spectrum 1 weight 0.10000E+01 volume 0.11919E-03 ppm1 7.044 ppm2 3.823 CV 1 ASSI { 559} (( segid "RN15" and resid 177 and name HE21)) (( segid "RN15" and resid 170 and name HA )) 4.400 2.400 1.600 peak 559 spectrum 1 weight 0.10000E+01 volume 0.80046E-03 ppm1 7.054 ppm2 4.124 CV 1 ASSI { 560} (( segid "RN15" and resid 177 and name HE21)) ( segid "RN15" and resid 215 and name HG2%) 5.200 3.400 0.800 peak 560 spectrum 1 weight 0.10000E+01 volume 0.91927E-04 ppm1 7.054 ppm2 1.362 CV 1 ASSI { 561} (( segid "RN15" and resid 177 and name HE22)) (( segid "RN15" and resid 170 and name HA )) 3.700 1.700 1.700 peak 561 spectrum 1 weight 0.10000E+01 volume 0.54155E-03 ppm1 6.768 ppm2 4.138 CV 1 ASSI { 562} (( segid "RN15" and resid 177 and name HE22)) (( segid "RN15" and resid 174 and name HA )) 4.200 2.200 1.800 peak 562 spectrum 1 weight 0.10000E+01 volume 0.29391E-03 ppm1 6.779 ppm2 3.808 CV 1 ASSI { 563} (( segid "RN15" and resid 177 and name HE21)) (( segid "RN15" and resid 177 and name HB1 )) 2.900 1.100 1.100 peak 563 spectrum 1 weight 0.10000E+01 volume 0.67286E-03 ppm1 7.052 ppm2 1.803 CV 1 ASSI { 564} (( segid "RN15" and resid 177 and name HE22)) (( segid "RN15" and resid 177 and name HB1 )) 4.400 2.400 1.600 peak 564 spectrum 1 weight 0.10000E+01 volume 0.36520E-03 ppm1 6.773 ppm2 1.795 CV 1 ASSI { 565} (( segid "RN15" and resid 177 and name HE21)) (( segid "RN15" and resid 177 and name HB2 )) 3.600 1.600 1.600 peak 565 spectrum 1 weight 0.10000E+01 volume 0.85547E-03 ppm1 7.051 ppm2 2.052 CV 1 ASSI { 566} (( segid "RN15" and resid 177 and name HE22)) (( segid "RN15" and resid 177 and name HB2 )) 4.700 2.800 1.300 peak 566 spectrum 1 weight 0.10000E+01 volume 0.63408E-03 ppm1 6.772 ppm2 2.044 CV 1 ASSI { 568} (( segid "RN15" and resid 177 and name HE22)) (( segid "RN15" and resid 177 and name HE21)) 1.700 0.400 0.500 peak 568 spectrum 1 weight 0.10000E+01 volume 0.10668E-01 ppm1 6.770 ppm2 7.057 CV 1 ASSI { 570} (( segid "RN15" and resid 177 and name HE22)) (( segid "RN15" and resid 177 and name HG1 )) 6.000 5.100 0.000 peak 570 spectrum 1 weight 0.10000E+01 volume 0.51653E-04 ppm1 6.781 ppm2 2.527 CV 1 ASSI { 571} (( segid "RN15" and resid 177 and name HE21)) (( segid "RN15" and resid 177 and name HG2 )) 3.300 1.300 1.300 peak 571 spectrum 1 weight 0.10000E+01 volume 0.79795E-03 ppm1 7.052 ppm2 2.644 CV 1 ASSI { 572} (( segid "RN15" and resid 177 and name HE22)) (( segid "RN15" and resid 177 and name HG2 )) 3.900 1.900 1.900 peak 572 spectrum 1 weight 0.10000E+01 volume 0.96302E-03 ppm1 6.771 ppm2 2.639 CV 1 ASSI { 573} (( segid "RN15" and resid 177 and name HE22)) (( segid "RN15" and resid 212 and name HB1 )) 5.000 3.200 1.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.38396E-03 ppm1 6.783 ppm2 2.246 CV 1 ASSI { 574} (( segid "RN15" and resid 177 and name HE21)) ( segid "RN15" and resid 212 and name HD2%) 3.800 1.800 1.800 peak 574 spectrum 1 weight 0.10000E+01 volume 0.64910E-03 ppm1 7.060 ppm2 0.743 CV 1 ASSI { 575} (( segid "RN15" and resid 177 and name HE22)) ( segid "RN15" and resid 212 and name HD2%) 4.600 2.600 1.400 peak 575 spectrum 1 weight 0.10000E+01 volume 0.45650E-03 ppm1 6.782 ppm2 0.755 CV 1 ASSI { 576} (( segid "RN15" and resid 177 and name HE22)) ( segid "RN15" and resid 215 and name HG2%) 4.400 2.500 1.600 peak 576 spectrum 1 weight 0.10000E+01 volume 0.94303E-04 ppm1 6.779 ppm2 1.368 CV 1 ASSI { 578} (( segid "RN15" and resid 178 and name HN )) ( segid "RN15" and resid 212 and name HD1%) 5.000 3.100 1.000 peak 578 spectrum 1 weight 0.10000E+01 volume 0.48027E-03 ppm1 8.593 ppm2 0.703 CV 1 ASSI { 585} (( segid "RN15" and resid 178 and name HN )) (( segid "RN15" and resid 216 and name HD22)) 5.700 4.100 0.300 peak 585 spectrum 1 weight 0.10000E+01 volume 0.14633E-03 ppm1 8.604 ppm2 7.657 CV 1 ASSI { 587} (( segid "RN15" and resid 178 and name HN )) (( segid "RN15" and resid 176 and name HN )) 3.500 1.500 1.500 peak 587 spectrum 1 weight 0.10000E+01 volume 0.10356E-02 ppm1 8.587 ppm2 7.137 CV 1 ASSI { 589} (( segid "RN15" and resid 178 and name HN )) (( segid "RN15" and resid 177 and name HA )) 2.900 1.100 1.100 peak 589 spectrum 1 weight 0.10000E+01 volume 0.24389E-02 ppm1 8.595 ppm2 3.790 CV 1 ASSI { 590} (( segid "RN15" and resid 178 and name HN )) (( segid "RN15" and resid 177 and name HB2 )) 2.800 1.000 1.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.43399E-02 ppm1 8.595 ppm2 2.012 CV 1 ASSI { 591} (( segid "RN15" and resid 178 and name HN )) (( segid "RN15" and resid 177 and name HG1 )) 2.800 1.000 1.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.38146E-02 ppm1 8.595 ppm2 2.509 CV 1 ASSI { 592} (( segid "RN15" and resid 178 and name HN )) (( segid "RN15" and resid 177 and name HG2 )) 2.700 0.900 0.900 peak 592 spectrum 1 weight 0.10000E+01 volume 0.15759E-02 ppm1 8.594 ppm2 2.652 CV 1 ASSI { 593} (( segid "RN15" and resid 178 and name HN )) (( segid "RN15" and resid 178 and name HA )) 2.500 0.800 0.800 peak 593 spectrum 1 weight 0.10000E+01 volume 0.48401E-02 ppm1 8.595 ppm2 4.032 CV 1 ASSI { 594} (( segid "RN15" and resid 178 and name HN )) (( segid "RN15" and resid 178 and name HB1 )) 2.700 0.900 0.900 peak 594 spectrum 1 weight 0.10000E+01 volume 0.13132E-01 ppm1 8.595 ppm2 1.847 CV 1 ASSI { 595} (( segid "RN15" and resid 178 and name HN )) (( segid "RN15" and resid 178 and name HB2 )) 2.400 0.700 0.700 peak 595 spectrum 1 weight 0.10000E+01 volume 0.39522E-02 ppm1 8.594 ppm2 1.456 CV 1 ASSI { 596} (( segid "RN15" and resid 178 and name HN )) ( segid "RN15" and resid 178 and name HD2%) 3.200 1.300 1.300 peak 596 spectrum 1 weight 0.10000E+01 volume 0.50528E-02 ppm1 8.595 ppm2 0.854 CV 1 OR { 596} (( segid "RN15" and resid 178 and name HN )) ( segid "RN15" and resid 178 and name HD1%) ASSI { 597} (( segid "RN15" and resid 178 and name HN )) (( segid "RN15" and resid 179 and name HN )) 2.500 0.800 0.800 peak 597 spectrum 1 weight 0.10000E+01 volume 0.33644E-02 ppm1 8.593 ppm2 7.829 CV 1 ASSI { 601} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 178 and name HB1 )) 3.100 1.200 1.200 peak 601 spectrum 1 weight 0.10000E+01 volume 0.48027E-02 ppm1 7.835 ppm2 1.831 CV 1 OR { 601} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 178 and name HG )) ASSI { 604} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 177 and name HG1 )) 5.800 4.200 0.200 peak 604 spectrum 1 weight 0.10000E+01 volume 0.28016E-03 ppm1 7.834 ppm2 2.486 CV 1 ASSI { 606} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 178 and name HA )) 3.600 1.600 1.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.10718E-02 ppm1 7.834 ppm2 4.021 CV 1 ASSI { 607} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 178 and name HB2 )) 4.200 2.200 1.800 peak 607 spectrum 1 weight 0.10000E+01 volume 0.11894E-03 ppm1 7.845 ppm2 1.469 CV 1 ASSI { 608} (( segid "RN15" and resid 179 and name HN )) ( segid "RN15" and resid 178 and name HD1%) 3.900 1.900 1.900 peak 608 spectrum 1 weight 0.10000E+01 volume 0.35770E-02 ppm1 7.834 ppm2 0.859 CV 1 OR { 608} (( segid "RN15" and resid 179 and name HN )) ( segid "RN15" and resid 178 and name HD2%) ASSI { 609} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 179 and name HB1 )) 2.700 0.900 0.900 peak 609 spectrum 1 weight 0.10000E+01 volume 0.13382E-01 ppm1 7.836 ppm2 2.016 CV 1 ASSI { 610} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 179 and name HE1 )) 5.200 3.400 0.800 peak 610 spectrum 1 weight 0.10000E+01 volume 0.33894E-03 ppm1 7.847 ppm2 3.018 CV 1 OR { 610} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 179 and name HE2 )) ASSI { 612} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 180 and name HB1 )) 5.500 3.800 0.500 peak 612 spectrum 1 weight 0.10000E+01 volume 0.20011E-03 ppm1 7.837 ppm2 3.177 CV 1 ASSI { 613} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 180 and name HB2 )) 5.700 4.000 0.300 peak 613 spectrum 1 weight 0.10000E+01 volume 0.33769E-03 ppm1 7.832 ppm2 3.367 CV 1 ASSI { 614} (( segid "RN15" and resid 180 and name HN )) (( segid "RN15" and resid 179 and name HB2 )) 2.300 0.700 0.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.65287E-02 ppm1 8.099 ppm2 2.013 CV 1 ASSI { 629} (( segid "RN15" and resid 180 and name HN )) (( segid "RN15" and resid 178 and name HN )) 3.700 1.700 1.700 peak 629 spectrum 1 weight 0.10000E+01 volume 0.93424E-03 ppm1 8.091 ppm2 8.563 CV 1 ASSI { 630} (( segid "RN15" and resid 180 and name HN )) (( segid "RN15" and resid 179 and name HN )) 2.200 0.600 0.600 peak 630 spectrum 1 weight 0.10000E+01 volume 0.84799E-02 ppm1 8.098 ppm2 7.828 CV 1 ASSI { 631} (( segid "RN15" and resid 180 and name HN )) (( segid "RN15" and resid 179 and name HA )) 3.600 1.600 1.600 peak 631 spectrum 1 weight 0.10000E+01 volume 0.11006E-02 ppm1 8.099 ppm2 4.172 CV 1 ASSI { 632} (( segid "RN15" and resid 180 and name HN )) (( segid "RN15" and resid 180 and name HA )) 2.600 0.800 0.800 peak 632 spectrum 1 weight 0.10000E+01 volume 0.54530E-02 ppm1 8.098 ppm2 3.883 CV 1 ASSI { 633} (( segid "RN15" and resid 180 and name HN )) (( segid "RN15" and resid 180 and name HB1 )) 2.200 0.600 0.600 peak 633 spectrum 1 weight 0.10000E+01 volume 0.70662E-02 ppm1 8.099 ppm2 3.185 CV 1 ASSI { 634} (( segid "RN15" and resid 180 and name HN )) (( segid "RN15" and resid 180 and name HB2 )) 2.500 0.800 0.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.71541E-02 ppm1 8.100 ppm2 3.368 CV 1 ASSI { 635} (( segid "RN15" and resid 180 and name HN )) ( segid "RN15" and resid 180 and name HD% ) 4.000 2.000 2.000 peak 635 spectrum 1 weight 0.10000E+01 volume 0.20887E-02 ppm1 8.099 ppm2 6.969 CV 1 ASSI { 639} (( segid "RN15" and resid 181 and name HN )) (( segid "RN15" and resid 181 and name HG )) 3.000 1.100 1.100 peak 639 spectrum 1 weight 0.10000E+01 volume 0.64287E-03 ppm1 7.825 ppm2 2.090 CV 1 ASSI { 642} (( segid "RN15" and resid 181 and name HN )) (( segid "RN15" and resid 180 and name HN )) 2.700 0.900 0.900 peak 642 spectrum 1 weight 0.10000E+01 volume 0.28891E-02 ppm1 7.826 ppm2 8.085 CV 1 ASSI { 643} (( segid "RN15" and resid 181 and name HN )) (( segid "RN15" and resid 180 and name HB1 )) 4.500 2.500 1.500 peak 643 spectrum 1 weight 0.10000E+01 volume 0.57159E-04 ppm1 7.820 ppm2 3.187 CV 1 ASSI { 644} (( segid "RN15" and resid 181 and name HN )) (( segid "RN15" and resid 180 and name HB2 )) 3.600 1.600 1.600 peak 644 spectrum 1 weight 0.10000E+01 volume 0.34894E-02 ppm1 7.826 ppm2 3.366 CV 1 ASSI { 645} (( segid "RN15" and resid 181 and name HN )) ( segid "RN15" and resid 180 and name HD% ) 2.700 0.900 0.900 peak 645 spectrum 1 weight 0.10000E+01 volume 0.17885E-02 ppm1 7.828 ppm2 6.979 CV 1 ASSI { 646} (( segid "RN15" and resid 181 and name HN )) ( segid "RN15" and resid 180 and name HE% ) 4.700 2.800 1.300 peak 646 spectrum 1 weight 0.10000E+01 volume 0.73666E-03 ppm1 7.847 ppm2 6.869 CV 1 ASSI { 647} (( segid "RN15" and resid 181 and name HN )) (( segid "RN15" and resid 181 and name HB1 )) 3.000 1.100 1.100 peak 647 spectrum 1 weight 0.10000E+01 volume 0.38021E-02 ppm1 7.830 ppm2 2.208 CV 1 ASSI { 648} (( segid "RN15" and resid 181 and name HN )) (( segid "RN15" and resid 181 and name HB2 )) 2.300 0.600 0.600 peak 648 spectrum 1 weight 0.10000E+01 volume 0.33894E-02 ppm1 7.827 ppm2 1.393 CV 1 ASSI { 649} (( segid "RN15" and resid 181 and name HN )) ( segid "RN15" and resid 181 and name HD1%) 3.300 1.400 1.400 peak 649 spectrum 1 weight 0.10000E+01 volume 0.34644E-02 ppm1 7.832 ppm2 0.919 CV 1 ASSI { 650} (( segid "RN15" and resid 181 and name HN )) ( segid "RN15" and resid 181 and name HD2%) 3.400 1.400 1.400 peak 650 spectrum 1 weight 0.10000E+01 volume 0.27390E-02 ppm1 7.830 ppm2 1.086 CV 1 ASSI { 651} (( segid "RN15" and resid 181 and name HN )) (( segid "RN15" and resid 182 and name HN )) 2.400 0.700 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.41898E-02 ppm1 7.829 ppm2 8.711 CV 1 ASSI { 652} (( segid "RN15" and resid 181 and name HN )) (( segid "RN15" and resid 183 and name HN )) 3.900 1.900 1.900 peak 652 spectrum 1 weight 0.10000E+01 volume 0.92927E-03 ppm1 7.826 ppm2 8.539 CV 1 ASSI { 666} (( segid "RN15" and resid 182 and name HN )) (( segid "RN15" and resid 180 and name HB2 )) 5.400 3.600 0.600 peak 666 spectrum 1 weight 0.10000E+01 volume 0.41023E-03 ppm1 8.703 ppm2 3.368 CV 1 ASSI { 668} (( segid "RN15" and resid 182 and name HN )) (( segid "RN15" and resid 181 and name HA )) 2.500 2.500 3.500 peak 668 spectrum 1 weight 0.10000E+01 volume 0.53154E-02 ppm1 8.712 ppm2 3.856 CV 1 ASSI { 669} (( segid "RN15" and resid 182 and name HN )) (( segid "RN15" and resid 181 and name HB1 )) 2.300 2.300 3.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.14133E-01 ppm1 8.712 ppm2 2.225 CV 1 ASSI { 670} (( segid "RN15" and resid 182 and name HN )) (( segid "RN15" and resid 181 and name HB2 )) 2.600 0.800 0.800 peak 670 spectrum 1 weight 0.10000E+01 volume 0.22012E-02 ppm1 8.712 ppm2 1.384 CV 1 ASSI { 671} (( segid "RN15" and resid 182 and name HN )) (( segid "RN15" and resid 182 and name HG1 )) 3.500 1.600 1.600 peak 671 spectrum 1 weight 0.10000E+01 volume 0.29891E-02 ppm1 8.712 ppm2 2.581 CV 1 ASSI { 672} (( segid "RN15" and resid 182 and name HN )) (( segid "RN15" and resid 182 and name HG2 )) 3.500 1.500 1.500 peak 672 spectrum 1 weight 0.10000E+01 volume 0.20011E-02 ppm1 8.713 ppm2 2.300 CV 1 ASSI { 673} (( segid "RN15" and resid 182 and name HN )) (( segid "RN15" and resid 183 and name HN )) 2.800 1.000 1.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.32017E-02 ppm1 8.707 ppm2 8.534 CV 1 ASSI { 674} (( segid "RN15" and resid 182 and name HN )) (( segid "RN15" and resid 184 and name HN )) 5.200 3.300 0.800 peak 674 spectrum 1 weight 0.10000E+01 volume 0.11094E-03 ppm1 8.716 ppm2 8.966 CV 1 ASSI { 675} (( segid "RN15" and resid 182 and name HN )) ( segid "RN14" and resid 668 and name HD1%) 5.300 3.500 0.700 peak 675 spectrum 1 weight 0.10000E+01 volume 0.54280E-03 ppm1 8.710 ppm2 0.652 CV 1 ASSI { 676} (( segid "RN15" and resid 182 and name HE22)) (( segid "RN15" and resid 182 and name HE21)) 1.500 0.300 0.700 peak 676 spectrum 1 weight 0.10000E+01 volume 0.27140E-01 ppm1 6.753 ppm2 7.361 CV 1 ASSI { 678} (( segid "RN15" and resid 182 and name HE21)) (( segid "RN15" and resid 182 and name HG1 )) 3.100 1.200 1.200 peak 678 spectrum 1 weight 0.10000E+01 volume 0.15008E-02 ppm1 7.360 ppm2 2.577 CV 1 ASSI { 679} (( segid "RN15" and resid 182 and name HE22)) (( segid "RN15" and resid 182 and name HG1 )) 4.300 2.300 1.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.10843E-02 ppm1 6.754 ppm2 2.578 CV 1 ASSI { 680} (( segid "RN15" and resid 182 and name HE21)) (( segid "RN15" and resid 182 and name HG2 )) 2.500 2.500 3.500 peak 680 spectrum 1 weight 0.10000E+01 volume 0.30142E-02 ppm1 7.360 ppm2 2.310 CV 1 ASSI { 681} (( segid "RN15" and resid 182 and name HE22)) (( segid "RN15" and resid 182 and name HG2 )) 3.800 1.800 1.800 peak 681 spectrum 1 weight 0.10000E+01 volume 0.19636E-02 ppm1 6.756 ppm2 2.314 CV 1 ASSI { 682} (( segid "RN15" and resid 182 and name HE21)) (( segid "RN14" and resid 668 and name HA )) 5.200 3.400 0.800 peak 682 spectrum 1 weight 0.10000E+01 volume 0.21762E-03 ppm1 7.363 ppm2 4.348 CV 1 ASSI { 683} (( segid "RN15" and resid 182 and name HE22)) (( segid "RN14" and resid 668 and name HA )) 5.500 3.800 0.500 peak 683 spectrum 1 weight 0.10000E+01 volume 0.21762E-03 ppm1 6.750 ppm2 4.359 CV 1 ASSI { 684} (( segid "RN15" and resid 182 and name HE21)) (( segid "RN14" and resid 668 and name HB )) 5.100 3.200 0.900 peak 684 spectrum 1 weight 0.10000E+01 volume 0.64659E-04 ppm1 7.354 ppm2 1.989 CV 1 ASSI { 685} (( segid "RN15" and resid 182 and name HE21)) ( segid "RN14" and resid 668 and name HG2%) 3.700 1.700 1.700 peak 685 spectrum 1 weight 0.10000E+01 volume 0.22762E-03 ppm1 7.350 ppm2 1.036 CV 1 ASSI { 686} (( segid "RN15" and resid 182 and name HE22)) ( segid "RN14" and resid 668 and name HG2%) 4.600 2.600 1.400 peak 686 spectrum 1 weight 0.10000E+01 volume 0.58655E-03 ppm1 6.752 ppm2 1.026 CV 1 ASSI { 687} (( segid "RN15" and resid 182 and name HE21)) ( segid "RN14" and resid 670 and name HG2%) 4.600 2.600 1.400 peak 687 spectrum 1 weight 0.10000E+01 volume 0.14508E-03 ppm1 7.355 ppm2 1.225 CV 1 ASSI { 688} (( segid "RN15" and resid 182 and name HE22)) ( segid "RN14" and resid 670 and name HG2%) 4.300 2.400 1.700 peak 688 spectrum 1 weight 0.10000E+01 volume 0.51528E-03 ppm1 6.754 ppm2 1.222 CV 1 ASSI { 694} (( segid "RN15" and resid 183 and name HN )) (( segid "RN15" and resid 182 and name HB1 )) 2.600 0.900 0.900 peak 694 spectrum 1 weight 0.10000E+01 volume 0.45525E-02 ppm1 8.524 ppm2 2.222 CV 1 ASSI { 695} (( segid "RN15" and resid 183 and name HN )) (( segid "RN15" and resid 182 and name HB2 )) 2.600 0.900 0.900 peak 695 spectrum 1 weight 0.10000E+01 volume 0.33143E-02 ppm1 8.519 ppm2 2.272 CV 1 ASSI { 696} (( segid "RN15" and resid 183 and name HN )) (( segid "RN15" and resid 183 and name HE2 )) 5.300 3.500 0.700 peak 696 spectrum 1 weight 0.10000E+01 volume 0.46776E-03 ppm1 8.532 ppm2 3.030 CV 1 OR { 696} (( segid "RN15" and resid 183 and name HN )) (( segid "RN15" and resid 183 and name HE1 )) ASSI { 698} (( segid "RN15" and resid 183 and name HN )) (( segid "RN15" and resid 184 and name HA )) 5.200 3.400 0.800 peak 698 spectrum 1 weight 0.10000E+01 volume 0.39522E-03 ppm1 8.522 ppm2 4.558 CV 1 ASSI { 699} (( segid "RN15" and resid 183 and name HN )) (( segid "RN15" and resid 184 and name HB1 )) 5.400 3.600 0.600 peak 699 spectrum 1 weight 0.10000E+01 volume 0.25139E-03 ppm1 8.525 ppm2 2.546 CV 1 ASSI { 701} (( segid "RN15" and resid 184 and name HN )) ( segid "RN15" and resid 181 and name HD2%) 5.100 3.200 0.900 peak 701 spectrum 1 weight 0.10000E+01 volume 0.51028E-03 ppm1 8.976 ppm2 1.081 CV 1 ASSI { 702} (( segid "RN15" and resid 184 and name HN )) (( segid "RN15" and resid 181 and name HA )) 3.100 1.200 1.200 peak 702 spectrum 1 weight 0.10000E+01 volume 0.30642E-02 ppm1 8.988 ppm2 3.856 CV 1 ASSI { 704} (( segid "RN15" and resid 184 and name HN )) (( segid "RN15" and resid 183 and name HN )) 2.300 0.700 0.700 peak 704 spectrum 1 weight 0.10000E+01 volume 0.70913E-02 ppm1 8.989 ppm2 8.544 CV 1 ASSI { 705} (( segid "RN15" and resid 184 and name HN )) (( segid "RN15" and resid 183 and name HA )) 3.600 1.600 1.600 peak 705 spectrum 1 weight 0.10000E+01 volume 0.10506E-02 ppm1 8.987 ppm2 4.162 CV 1 ASSI { 706} (( segid "RN15" and resid 184 and name HN )) (( segid "RN15" and resid 183 and name HB1 )) 3.000 1.100 1.100 peak 706 spectrum 1 weight 0.10000E+01 volume 0.25014E-02 ppm1 8.988 ppm2 1.925 CV 1 ASSI { 707} (( segid "RN15" and resid 184 and name HN )) (( segid "RN15" and resid 183 and name HB2 )) 3.100 1.200 1.200 peak 707 spectrum 1 weight 0.10000E+01 volume 0.19511E-02 ppm1 8.990 ppm2 1.682 CV 1 ASSI { 708} (( segid "RN15" and resid 184 and name HN )) (( segid "RN15" and resid 183 and name HG1 )) 4.000 2.000 2.000 peak 708 spectrum 1 weight 0.10000E+01 volume 0.44400E-03 ppm1 8.987 ppm2 1.632 CV 1 ASSI { 709} (( segid "RN15" and resid 184 and name HN )) (( segid "RN15" and resid 184 and name HA )) 2.800 1.000 1.000 peak 709 spectrum 1 weight 0.10000E+01 volume 0.28016E-02 ppm1 8.989 ppm2 4.555 CV 1 ASSI { 710} (( segid "RN15" and resid 184 and name HN )) (( segid "RN15" and resid 184 and name HB1 )) 2.400 0.700 0.700 peak 710 spectrum 1 weight 0.10000E+01 volume 0.60786E-02 ppm1 8.989 ppm2 2.518 CV 1 ASSI { 711} (( segid "RN15" and resid 184 and name HN )) (( segid "RN15" and resid 184 and name HB2 )) 2.400 0.700 0.700 peak 711 spectrum 1 weight 0.10000E+01 volume 0.50903E-02 ppm1 8.988 ppm2 2.690 CV 1 ASSI { 712} (( segid "RN15" and resid 184 and name HN )) ( segid "RN15" and resid 184 and name HD% ) 4.600 2.700 1.400 peak 712 spectrum 1 weight 0.10000E+01 volume 0.10731E-02 ppm1 8.986 ppm2 7.016 CV 1 ASSI { 715} (( segid "RN15" and resid 184 and name HN )) (( segid "RN14" and resid 632 and name HG1 )) 3.900 1.900 1.900 peak 715 spectrum 1 weight 0.10000E+01 volume 0.52779E-03 ppm1 8.983 ppm2 2.150 CV 1 ASSI { 716} (( segid "RN15" and resid 184 and name HN )) ( segid "RN14" and resid 635 and name HG2%) 4.000 2.000 2.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.12244E-02 ppm1 8.985 ppm2 0.622 CV 1 OR { 716} (( segid "RN15" and resid 184 and name HN )) ( segid "RN14" and resid 635 and name HG1%) ASSI { 717} (( segid "RN15" and resid 184 and name HN )) ( segid "RN14" and resid 662 and name HD2%) 4.700 2.700 1.300 peak 717 spectrum 1 weight 0.10000E+01 volume 0.95303E-03 ppm1 8.985 ppm2 0.795 CV 1 ASSI { 724} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 183 and name HG1 )) 4.300 2.400 1.700 peak 724 spectrum 1 weight 0.10000E+01 volume 0.74540E-03 ppm1 8.623 ppm2 1.649 CV 1 ASSI { 726} (( segid "RN15" and resid 185 and name HN )) ( segid "RN15" and resid 181 and name HD2%) 5.000 3.200 1.000 peak 726 spectrum 1 weight 0.10000E+01 volume 0.35144E-03 ppm1 8.621 ppm2 1.099 CV 1 ASSI { 727} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 184 and name HN )) 2.700 0.900 0.900 peak 727 spectrum 1 weight 0.10000E+01 volume 0.32393E-02 ppm1 8.616 ppm2 8.972 CV 1 ASSI { 728} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 184 and name HA )) 6.000 4.500 0.000 peak 728 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.618 ppm2 4.561 CV 1 ASSI { 729} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 184 and name HB1 )) 3.000 1.100 1.100 peak 729 spectrum 1 weight 0.10000E+01 volume 0.84422E-03 ppm1 8.617 ppm2 2.520 CV 1 ASSI { 730} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 184 and name HB2 )) 4.400 2.400 1.600 peak 730 spectrum 1 weight 0.10000E+01 volume 0.10668E-02 ppm1 8.622 ppm2 2.687 CV 1 ASSI { 731} (( segid "RN15" and resid 185 and name HN )) ( segid "RN15" and resid 184 and name HD% ) 6.000 4.900 0.000 peak 731 spectrum 1 weight 0.10000E+01 volume 0.60786E-04 ppm1 8.614 ppm2 7.019 CV 1 ASSI { 732} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 185 and name HA )) 2.600 0.900 0.900 peak 732 spectrum 1 weight 0.10000E+01 volume 0.34644E-02 ppm1 8.617 ppm2 4.521 CV 1 ASSI { 733} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 185 and name HB2 )) 2.400 0.700 0.700 peak 733 spectrum 1 weight 0.10000E+01 volume 0.54905E-02 ppm1 8.616 ppm2 1.803 CV 1 ASSI { 734} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 186 and name HN )) 2.700 0.900 0.900 peak 734 spectrum 1 weight 0.10000E+01 volume 0.37146E-02 ppm1 8.617 ppm2 7.985 CV 1 ASSI { 735} (( segid "RN15" and resid 185 and name HN )) ( segid "RN14" and resid 662 and name HD2%) 4.100 2.100 1.900 peak 735 spectrum 1 weight 0.10000E+01 volume 0.75043E-03 ppm1 8.615 ppm2 0.801 CV 1 ASSI { 740} (( segid "RN15" and resid 185 and name HE21)) (( segid "RN15" and resid 185 and name HB2 )) 3.300 1.400 1.400 peak 740 spectrum 1 weight 0.10000E+01 volume 0.15258E-02 ppm1 6.422 ppm2 1.804 CV 1 ASSI { 741} (( segid "RN15" and resid 185 and name HE22)) (( segid "RN15" and resid 185 and name HB2 )) 4.600 2.600 1.400 peak 741 spectrum 1 weight 0.10000E+01 volume 0.62785E-03 ppm1 8.482 ppm2 1.811 CV 1 ASSI { 742} (( segid "RN15" and resid 185 and name HE22)) (( segid "RN15" and resid 185 and name HE21)) 1.900 0.400 0.400 peak 742 spectrum 1 weight 0.10000E+01 volume 0.74540E-02 ppm1 8.484 ppm2 6.420 CV 1 ASSI { 744} (( segid "RN15" and resid 185 and name HE21)) (( segid "RN15" and resid 185 and name HG1 )) 3.100 1.200 1.200 peak 744 spectrum 1 weight 0.10000E+01 volume 0.56656E-03 ppm1 6.421 ppm2 2.147 CV 1 ASSI { 745} (( segid "RN15" and resid 185 and name HE22)) (( segid "RN15" and resid 185 and name HG1 )) 4.300 2.300 1.700 peak 745 spectrum 1 weight 0.10000E+01 volume 0.92424E-03 ppm1 8.483 ppm2 2.131 CV 1 ASSI { 746} (( segid "RN15" and resid 185 and name HE21)) (( segid "RN15" and resid 185 and name HG2 )) 3.400 1.500 1.500 peak 746 spectrum 1 weight 0.10000E+01 volume 0.20887E-02 ppm1 6.422 ppm2 1.959 CV 1 ASSI { 747} (( segid "RN15" and resid 185 and name HE22)) (( segid "RN15" and resid 185 and name HG2 )) 4.600 2.700 1.400 peak 747 spectrum 1 weight 0.10000E+01 volume 0.89174E-03 ppm1 8.483 ppm2 1.967 CV 1 ASSI { 748} (( segid "RN15" and resid 185 and name HE22)) ( segid "RN14" and resid 662 and name HD1%) 5.000 3.200 1.000 peak 748 spectrum 1 weight 0.10000E+01 volume 0.46275E-03 ppm1 8.482 ppm2 0.835 CV 1 OR { 748} (( segid "RN15" and resid 185 and name HE22)) ( segid "RN14" and resid 662 and name HD2%) ASSI { 749} (( segid "RN15" and resid 185 and name HE22)) ( segid "RN14" and resid 666 and name HG1%) 3.700 1.700 1.700 peak 749 spectrum 1 weight 0.10000E+01 volume 0.10181E-02 ppm1 8.479 ppm2 0.533 CV 1 ASSI { 750} (( segid "RN15" and resid 185 and name HE21)) ( segid "RN14" and resid 666 and name HG2%) 5.200 3.300 0.800 peak 750 spectrum 1 weight 0.10000E+01 volume 0.39021E-03 ppm1 6.423 ppm2 0.508 CV 1 ASSI { 751} (( segid "RN15" and resid 185 and name HE21)) (( segid "RN14" and resid 667 and name HA )) 4.000 2.000 2.000 peak 751 spectrum 1 weight 0.10000E+01 volume 0.11269E-02 ppm1 6.417 ppm2 4.673 CV 1 ASSI { 752} (( segid "RN15" and resid 185 and name HE22)) (( segid "RN14" and resid 667 and name HA )) 5.100 3.300 0.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.59906E-04 ppm1 8.478 ppm2 4.666 CV 1 ASSI { 753} (( segid "RN15" and resid 185 and name HE21)) ( segid "RN14" and resid 668 and name HD1%) 4.200 2.200 1.800 peak 753 spectrum 1 weight 0.10000E+01 volume 0.71913E-03 ppm1 6.419 ppm2 0.639 CV 1 ASSI { 754} (( segid "RN15" and resid 185 and name HE22)) (( segid "RN14" and resid 668 and name HG11)) 6.000 6.000 0.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.55781E-04 ppm1 8.487 ppm2 1.327 CV 1 ASSI { 759} (( segid "RN15" and resid 186 and name HN )) (( segid "RN15" and resid 182 and name HA )) 3.500 1.600 1.600 peak 759 spectrum 1 weight 0.10000E+01 volume 0.15258E-02 ppm1 7.982 ppm2 3.847 CV 1 ASSI { 760} (( segid "RN15" and resid 186 and name HN )) (( segid "RN15" and resid 183 and name HA )) 3.000 1.100 1.100 peak 760 spectrum 1 weight 0.10000E+01 volume 0.22637E-02 ppm1 7.984 ppm2 4.151 CV 1 ASSI { 761} (( segid "RN15" and resid 186 and name HN )) (( segid "RN15" and resid 183 and name HG1 )) 3.900 1.900 1.900 peak 761 spectrum 1 weight 0.10000E+01 volume 0.10606E-02 ppm1 7.984 ppm2 1.654 CV 1 ASSI { 762} (( segid "RN15" and resid 186 and name HN )) (( segid "RN15" and resid 184 and name HN )) 4.600 2.700 1.400 peak 762 spectrum 1 weight 0.10000E+01 volume 0.26390E-03 ppm1 7.979 ppm2 9.007 CV 1 ASSI { 763} (( segid "RN15" and resid 186 and name HN )) (( segid "RN15" and resid 184 and name HB2 )) 5.500 3.800 0.500 peak 763 spectrum 1 weight 0.10000E+01 volume 0.39397E-03 ppm1 7.979 ppm2 2.683 CV 1 ASSI { 765} (( segid "RN15" and resid 186 and name HN )) (( segid "RN15" and resid 185 and name HA )) 3.500 1.500 1.500 peak 765 spectrum 1 weight 0.10000E+01 volume 0.13257E-02 ppm1 7.982 ppm2 4.512 CV 1 ASSI { 766} (( segid "RN15" and resid 186 and name HN )) (( segid "RN15" and resid 185 and name HB2 )) 3.700 1.700 1.700 peak 766 spectrum 1 weight 0.10000E+01 volume 0.27515E-02 ppm1 7.985 ppm2 1.802 CV 1 ASSI { 767} (( segid "RN15" and resid 186 and name HN )) (( segid "RN15" and resid 185 and name HE22)) 6.000 5.600 0.000 peak 767 spectrum 1 weight 0.10000E+01 volume 0.14508E-03 ppm1 7.983 ppm2 8.475 CV 1 ASSI { 768} (( segid "RN15" and resid 186 and name HN )) (( segid "RN15" and resid 185 and name HG1 )) 4.400 2.400 1.600 peak 768 spectrum 1 weight 0.10000E+01 volume 0.10831E-02 ppm1 7.984 ppm2 2.148 CV 1 ASSI { 769} (( segid "RN15" and resid 186 and name HN )) (( segid "RN15" and resid 186 and name HA )) 2.500 0.800 0.800 peak 769 spectrum 1 weight 0.10000E+01 volume 0.57279E-02 ppm1 7.984 ppm2 3.977 CV 1 ASSI { 770} (( segid "RN15" and resid 186 and name HN )) (( segid "RN15" and resid 186 and name HB2 )) 2.100 0.500 0.500 peak 770 spectrum 1 weight 0.10000E+01 volume 0.21637E-01 ppm1 7.984 ppm2 2.270 CV 1 OR { 770} (( segid "RN15" and resid 186 and name HN )) (( segid "RN15" and resid 186 and name HB1 )) ASSI { 771} (( segid "RN15" and resid 186 and name HN )) (( segid "RN15" and resid 186 and name HG2 )) 2.800 1.000 1.000 peak 771 spectrum 1 weight 0.10000E+01 volume 0.51903E-02 ppm1 7.984 ppm2 2.495 CV 1 OR { 771} (( segid "RN15" and resid 186 and name HN )) (( segid "RN15" and resid 186 and name HG1 )) ASSI { 772} (( segid "RN15" and resid 186 and name HN )) (( segid "RN15" and resid 187 and name HN )) 2.500 0.800 0.800 peak 772 spectrum 1 weight 0.10000E+01 volume 0.57405E-02 ppm1 7.984 ppm2 7.812 CV 1 ASSI { 773} (( segid "RN15" and resid 186 and name HN )) (( segid "RN15" and resid 187 and name HA )) 5.600 3.900 0.400 peak 773 spectrum 1 weight 0.10000E+01 volume 0.29391E-03 ppm1 7.984 ppm2 4.427 CV 1 ASSI { 774} (( segid "RN15" and resid 186 and name HN )) (( segid "RN15" and resid 187 and name HB1 )) 5.600 4.000 0.400 peak 774 spectrum 1 weight 0.10000E+01 volume 0.20386E-03 ppm1 7.984 ppm2 3.392 CV 1 ASSI { 776} (( segid "RN15" and resid 186 and name HN )) ( segid "RN14" and resid 662 and name HD2%) 6.000 4.500 0.000 peak 776 spectrum 1 weight 0.10000E+01 volume 0.23138E-03 ppm1 7.985 ppm2 0.815 CV 1 OR { 776} (( segid "RN15" and resid 186 and name HN )) ( segid "RN14" and resid 662 and name HD1%) ASSI { 785} (( segid "RN15" and resid 187 and name HN )) (( segid "RN15" and resid 184 and name HN )) 5.000 3.100 1.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.20386E-03 ppm1 7.812 ppm2 8.996 CV 1 ASSI { 786} (( segid "RN15" and resid 187 and name HN )) (( segid "RN15" and resid 184 and name HA )) 3.300 1.300 1.300 peak 786 spectrum 1 weight 0.10000E+01 volume 0.14383E-02 ppm1 7.801 ppm2 4.559 CV 1 ASSI { 788} (( segid "RN15" and resid 187 and name HN )) (( segid "RN15" and resid 186 and name HA )) 3.300 1.400 1.400 peak 788 spectrum 1 weight 0.10000E+01 volume 0.16634E-02 ppm1 7.797 ppm2 3.972 CV 1 ASSI { 789} (( segid "RN15" and resid 187 and name HN )) (( segid "RN15" and resid 186 and name HB2 )) 2.500 0.800 0.800 peak 789 spectrum 1 weight 0.10000E+01 volume 0.70416E-02 ppm1 7.805 ppm2 2.269 CV 1 OR { 789} (( segid "RN15" and resid 187 and name HN )) (( segid "RN15" and resid 186 and name HB1 )) ASSI { 790} (( segid "RN15" and resid 187 and name HN )) (( segid "RN15" and resid 187 and name HA )) 2.800 1.000 1.000 peak 790 spectrum 1 weight 0.10000E+01 volume 0.37646E-02 ppm1 7.804 ppm2 4.430 CV 1 ASSI { 791} (( segid "RN15" and resid 187 and name HN )) (( segid "RN15" and resid 187 and name HB1 )) 2.400 0.700 0.700 peak 791 spectrum 1 weight 0.10000E+01 volume 0.56906E-02 ppm1 7.802 ppm2 3.407 CV 1 ASSI { 792} (( segid "RN15" and resid 187 and name HN )) (( segid "RN15" and resid 187 and name HB2 )) 3.200 1.300 1.300 peak 792 spectrum 1 weight 0.10000E+01 volume 0.30392E-02 ppm1 7.802 ppm2 3.704 CV 1 ASSI { 793} (( segid "RN15" and resid 187 and name HN )) (( segid "RN15" and resid 187 and name HD1 )) 4.000 2.000 2.000 peak 793 spectrum 1 weight 0.10000E+01 volume 0.15508E-02 ppm1 7.805 ppm2 7.399 CV 1 ASSI { 794} (( segid "RN15" and resid 187 and name HN )) (( segid "RN15" and resid 188 and name HN )) 2.600 0.900 0.900 peak 794 spectrum 1 weight 0.10000E+01 volume 0.30767E-02 ppm1 7.803 ppm2 9.681 CV 1 ASSI { 798} (( segid "RN15" and resid 187 and name HE1 )) (( segid "RN15" and resid 188 and name HA )) 4.700 2.800 1.300 peak 798 spectrum 1 weight 0.10000E+01 volume 0.20136E-03 ppm1 9.811 ppm2 3.215 CV 1 ASSI { 799} (( segid "RN15" and resid 187 and name HE1 )) (( segid "RN15" and resid 195 and name HA )) 5.500 3.800 0.500 peak 799 spectrum 1 weight 0.10000E+01 volume 0.23513E-03 ppm1 9.809 ppm2 4.397 CV 1 ASSI { 800} (( segid "RN15" and resid 187 and name HE1 )) (( segid "RN15" and resid 187 and name HD1 )) 2.500 0.800 0.800 peak 800 spectrum 1 weight 0.10000E+01 volume 0.58033E-02 ppm1 9.809 ppm2 7.386 CV 1 ASSI { 801} (( segid "RN15" and resid 187 and name HE1 )) (( segid "RN15" and resid 187 and name HH2 )) 6.000 4.500 0.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.810 ppm2 6.941 CV 1 ASSI { 802} (( segid "RN15" and resid 187 and name HE1 )) (( segid "RN15" and resid 187 and name HZ2 )) 2.700 0.900 0.900 peak 802 spectrum 1 weight 0.10000E+01 volume 0.29641E-02 ppm1 9.810 ppm2 7.502 CV 1 ASSI { 804} (( segid "RN15" and resid 187 and name HE1 )) (( segid "RN15" and resid 191 and name HD2 )) 3.300 1.400 1.400 peak 804 spectrum 1 weight 0.10000E+01 volume 0.14008E-02 ppm1 9.803 ppm2 6.654 CV 1 ASSI { 805} (( segid "RN15" and resid 187 and name HE1 )) (( segid "RN14" and resid 630 and name HB1 )) 4.200 2.200 1.800 peak 805 spectrum 1 weight 0.10000E+01 volume 0.37020E-03 ppm1 9.811 ppm2 2.060 CV 1 ASSI { 806} (( segid "RN15" and resid 187 and name HE1 )) (( segid "RN14" and resid 631 and name HA )) 3.200 1.300 1.300 peak 806 spectrum 1 weight 0.10000E+01 volume 0.90676E-03 ppm1 9.808 ppm2 3.383 CV 1 ASSI { 807} (( segid "RN15" and resid 187 and name HE1 )) (( segid "RN14" and resid 631 and name HB2 )) 4.800 2.800 1.200 peak 807 spectrum 1 weight 0.10000E+01 volume 0.84799E-03 ppm1 9.811 ppm2 0.931 CV 1 ASSI { 808} (( segid "RN15" and resid 187 and name HE1 )) ( segid "RN14" and resid 631 and name HD1%) 5.500 3.700 0.500 peak 808 spectrum 1 weight 0.10000E+01 volume 0.53029E-03 ppm1 9.805 ppm2 0.167 CV 1 ASSI { 809} (( segid "RN15" and resid 187 and name HE1 )) ( segid "RN14" and resid 631 and name HD2%) 3.300 1.300 1.300 peak 809 spectrum 1 weight 0.10000E+01 volume 0.59409E-03 ppm1 9.814 ppm2 -0.053 CV 1 ASSI { 810} (( segid "RN15" and resid 187 and name HE1 )) (( segid "RN14" and resid 631 and name HG )) 5.500 3.800 0.500 peak 810 spectrum 1 weight 0.10000E+01 volume 0.91173E-04 ppm1 9.805 ppm2 1.114 CV 1 ASSI { 811} (( segid "RN15" and resid 187 and name HE1 )) (( segid "RN14" and resid 632 and name HD1 )) 5.100 3.300 0.900 peak 811 spectrum 1 weight 0.10000E+01 volume 0.27015E-03 ppm1 9.806 ppm2 3.509 CV 1 ASSI { 812} (( segid "RN15" and resid 187 and name HE1 )) (( segid "RN14" and resid 632 and name HD2 )) 3.900 1.900 1.900 peak 812 spectrum 1 weight 0.10000E+01 volume 0.92550E-03 ppm1 9.805 ppm2 2.805 CV 1 ASSI { 813} (( segid "RN15" and resid 187 and name HE1 )) (( segid "RN14" and resid 632 and name HG1 )) 5.600 3.900 0.400 peak 813 spectrum 1 weight 0.10000E+01 volume 0.40272E-03 ppm1 9.809 ppm2 2.145 CV 1 ASSI { 818} (( segid "RN15" and resid 188 and name HN )) (( segid "RN15" and resid 185 and name HA )) 3.800 1.800 1.800 peak 818 spectrum 1 weight 0.10000E+01 volume 0.11331E-02 ppm1 9.682 ppm2 4.535 CV 1 ASSI { 819} (( segid "RN15" and resid 188 and name HN )) (( segid "RN15" and resid 186 and name HN )) 3.800 1.800 1.800 peak 819 spectrum 1 weight 0.10000E+01 volume 0.67663E-03 ppm1 9.685 ppm2 7.974 CV 1 ASSI { 820} (( segid "RN15" and resid 188 and name HN )) (( segid "RN15" and resid 186 and name HB1 )) 4.000 2.000 2.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.13257E-02 ppm1 9.677 ppm2 2.277 CV 1 ASSI { 822} (( segid "RN15" and resid 188 and name HN )) (( segid "RN15" and resid 187 and name HA )) 3.400 1.500 1.500 peak 822 spectrum 1 weight 0.10000E+01 volume 0.11069E-02 ppm1 9.681 ppm2 4.450 CV 1 ASSI { 823} (( segid "RN15" and resid 188 and name HN )) (( segid "RN15" and resid 187 and name HB1 )) 3.300 1.300 1.300 peak 823 spectrum 1 weight 0.10000E+01 volume 0.92053E-03 ppm1 9.681 ppm2 3.389 CV 1 ASSI { 824} (( segid "RN15" and resid 188 and name HN )) (( segid "RN15" and resid 187 and name HB2 )) 3.700 1.700 1.700 peak 824 spectrum 1 weight 0.10000E+01 volume 0.17260E-02 ppm1 9.686 ppm2 3.715 CV 1 ASSI { 825} (( segid "RN15" and resid 188 and name HN )) (( segid "RN15" and resid 187 and name HE3 )) 3.000 1.100 1.100 peak 825 spectrum 1 weight 0.10000E+01 volume 0.14508E-02 ppm1 9.681 ppm2 7.401 CV 1 ASSI { 826} (( segid "RN15" and resid 188 and name HN )) (( segid "RN15" and resid 187 and name HZ3 )) 5.200 3.400 0.800 peak 826 spectrum 1 weight 0.10000E+01 volume 0.45525E-03 ppm1 9.682 ppm2 6.784 CV 1 ASSI { 827} (( segid "RN15" and resid 188 and name HN )) (( segid "RN15" and resid 188 and name HA )) 2.700 0.900 0.900 peak 827 spectrum 1 weight 0.10000E+01 volume 0.23388E-02 ppm1 9.680 ppm2 3.199 CV 1 ASSI { 828} (( segid "RN15" and resid 188 and name HN )) (( segid "RN15" and resid 188 and name HB )) 3.600 1.600 1.600 peak 828 spectrum 1 weight 0.10000E+01 volume 0.12632E-02 ppm1 9.684 ppm2 3.812 CV 1 ASSI { 829} (( segid "RN15" and resid 188 and name HN )) (( segid "RN15" and resid 188 and name HG1 )) 4.500 2.500 1.500 peak 829 spectrum 1 weight 0.10000E+01 volume 0.57159E-03 ppm1 9.681 ppm2 5.287 CV 1 ASSI { 830} (( segid "RN15" and resid 188 and name HN )) ( segid "RN15" and resid 188 and name HG2%) 2.200 0.600 0.600 peak 830 spectrum 1 weight 0.10000E+01 volume 0.50778E-02 ppm1 9.681 ppm2 0.612 CV 1 ASSI { 832} (( segid "RN15" and resid 188 and name HN )) (( segid "RN15" and resid 189 and name HE )) 5.200 3.400 0.800 peak 832 spectrum 1 weight 0.10000E+01 volume 0.23888E-03 ppm1 9.683 ppm2 7.231 CV 1 ASSI { 834} (( segid "RN15" and resid 188 and name HN )) ( segid "RN14" and resid 662 and name HD2%) 5.900 4.400 0.100 peak 834 spectrum 1 weight 0.10000E+01 volume 0.44024E-03 ppm1 9.678 ppm2 0.776 CV 1 ASSI { 844} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 185 and name HA )) 2.800 2.800 3.200 peak 844 spectrum 1 weight 0.10000E+01 volume 0.45650E-02 ppm1 8.225 ppm2 4.523 CV 1 ASSI { 845} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 186 and name HN )) 4.200 2.200 1.800 peak 845 spectrum 1 weight 0.10000E+01 volume 0.55781E-03 ppm1 8.223 ppm2 7.986 CV 1 ASSI { 846} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 186 and name HA )) 3.400 1.400 1.400 peak 846 spectrum 1 weight 0.10000E+01 volume 0.14758E-02 ppm1 8.225 ppm2 3.977 CV 1 ASSI { 847} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 188 and name HN )) 2.500 0.800 0.800 peak 847 spectrum 1 weight 0.10000E+01 volume 0.36770E-02 ppm1 8.228 ppm2 9.678 CV 1 ASSI { 848} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 188 and name HG1 )) 2.900 1.100 1.100 peak 848 spectrum 1 weight 0.10000E+01 volume 0.24764E-02 ppm1 8.228 ppm2 5.294 CV 1 ASSI { 849} (( segid "RN15" and resid 189 and name HN )) ( segid "RN15" and resid 188 and name HG2%) 3.400 1.400 1.400 peak 849 spectrum 1 weight 0.10000E+01 volume 0.12882E-02 ppm1 8.225 ppm2 0.619 CV 1 ASSI { 850} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 189 and name HA )) 2.600 0.900 0.900 peak 850 spectrum 1 weight 0.10000E+01 volume 0.41398E-02 ppm1 8.226 ppm2 3.785 CV 1 ASSI { 851} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 189 and name HB1 )) 3.300 1.300 1.300 peak 851 spectrum 1 weight 0.10000E+01 volume 0.51028E-02 ppm1 8.230 ppm2 1.610 CV 1 ASSI { 852} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 189 and name HB2 )) 2.300 0.600 0.600 peak 852 spectrum 1 weight 0.10000E+01 volume 0.58410E-02 ppm1 8.229 ppm2 1.748 CV 1 ASSI { 853} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 189 and name HG1 )) 2.700 0.900 0.900 peak 853 spectrum 1 weight 0.10000E+01 volume 0.21387E-02 ppm1 8.225 ppm2 1.352 CV 1 ASSI { 854} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 189 and name HG2 )) 2.800 1.000 1.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.55405E-02 ppm1 8.226 ppm2 1.977 CV 1 ASSI { 855} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 190 and name HN )) 2.500 0.800 0.800 peak 855 spectrum 1 weight 0.10000E+01 volume 0.42774E-02 ppm1 8.226 ppm2 6.928 CV 1 ASSI { 856} (( segid "RN15" and resid 189 and name HN )) ( segid "RN15" and resid 190 and name HB% ) 4.600 2.700 1.400 peak 856 spectrum 1 weight 0.10000E+01 volume 0.10143E-02 ppm1 8.225 ppm2 1.084 CV 1 ASSI { 857} (( segid "RN15" and resid 189 and name HN )) ( segid "RN14" and resid 662 and name HD2%) 5.100 3.300 0.900 peak 857 spectrum 1 weight 0.10000E+01 volume 0.41398E-03 ppm1 8.222 ppm2 0.780 CV 1 ASSI { 859} (( segid "RN15" and resid 189 and name HE )) (( segid "RN15" and resid 185 and name HG1 )) 5.000 3.200 1.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.32768E-03 ppm1 7.206 ppm2 2.143 CV 1 ASSI { 860} (( segid "RN15" and resid 189 and name HE )) (( segid "RN15" and resid 185 and name HE21)) 5.800 4.300 0.200 peak 860 spectrum 1 weight 0.10000E+01 volume 0.18010E-03 ppm1 7.206 ppm2 6.407 CV 1 ASSI { 861} (( segid "RN15" and resid 189 and name HE )) (( segid "RN15" and resid 189 and name HA )) 5.800 4.100 0.200 peak 861 spectrum 1 weight 0.10000E+01 volume 0.26640E-03 ppm1 7.209 ppm2 3.778 CV 1 ASSI { 862} (( segid "RN15" and resid 189 and name HE )) (( segid "RN15" and resid 189 and name HB1 )) 4.100 2.100 1.900 peak 862 spectrum 1 weight 0.10000E+01 volume 0.77419E-03 ppm1 7.212 ppm2 1.646 CV 1 ASSI { 863} (( segid "RN15" and resid 189 and name HE )) (( segid "RN15" and resid 189 and name HB2 )) 3.900 1.900 1.900 peak 863 spectrum 1 weight 0.10000E+01 volume 0.21637E-03 ppm1 7.205 ppm2 1.781 CV 1 ASSI { 864} (( segid "RN15" and resid 189 and name HE )) (( segid "RN15" and resid 189 and name HD2 )) 2.900 1.100 1.100 peak 864 spectrum 1 weight 0.10000E+01 volume 0.19135E-02 ppm1 7.210 ppm2 2.970 CV 1 OR { 864} (( segid "RN15" and resid 189 and name HE )) (( segid "RN15" and resid 189 and name HD1 )) ASSI { 865} (( segid "RN15" and resid 189 and name HE )) (( segid "RN15" and resid 189 and name HG1 )) 2.800 1.000 1.000 peak 865 spectrum 1 weight 0.10000E+01 volume 0.18760E-02 ppm1 7.206 ppm2 1.343 CV 1 ASSI { 866} (( segid "RN15" and resid 189 and name HE )) (( segid "RN15" and resid 189 and name HG2 )) 3.400 1.400 1.400 peak 866 spectrum 1 weight 0.10000E+01 volume 0.22637E-02 ppm1 7.208 ppm2 1.974 CV 1 ASSI { 867} (( segid "RN15" and resid 189 and name HE )) (( segid "RN14" and resid 663 and name HA )) 3.900 1.900 1.900 peak 867 spectrum 1 weight 0.10000E+01 volume 0.19886E-02 ppm1 7.207 ppm2 4.319 CV 1 ASSI { 868} (( segid "RN15" and resid 189 and name HE )) (( segid "RN14" and resid 663 and name HB1 )) 6.000 4.800 0.000 peak 868 spectrum 1 weight 0.10000E+01 volume 0.22512E-03 ppm1 7.210 ppm2 2.706 CV 1 ASSI { 874} (( segid "RN15" and resid 190 and name HN )) (( segid "RN15" and resid 187 and name HA )) 3.400 1.500 1.500 peak 874 spectrum 1 weight 0.10000E+01 volume 0.13132E-02 ppm1 6.926 ppm2 4.424 CV 1 ASSI { 875} (( segid "RN15" and resid 190 and name HN )) (( segid "RN15" and resid 188 and name HN )) 3.600 1.600 1.600 peak 875 spectrum 1 weight 0.10000E+01 volume 0.10318E-02 ppm1 6.928 ppm2 9.686 CV 1 ASSI { 876} (( segid "RN15" and resid 190 and name HN )) (( segid "RN15" and resid 188 and name HA )) 3.600 1.600 1.600 peak 876 spectrum 1 weight 0.10000E+01 volume 0.77168E-03 ppm1 6.929 ppm2 3.215 CV 1 ASSI { 878} (( segid "RN15" and resid 190 and name HN )) (( segid "RN15" and resid 189 and name HA )) 3.400 1.400 1.400 peak 878 spectrum 1 weight 0.10000E+01 volume 0.15133E-02 ppm1 6.927 ppm2 3.772 CV 1 ASSI { 879} (( segid "RN15" and resid 190 and name HN )) (( segid "RN15" and resid 189 and name HB1 )) 3.800 1.800 1.800 peak 879 spectrum 1 weight 0.10000E+01 volume 0.14758E-02 ppm1 6.926 ppm2 1.607 CV 1 ASSI { 880} (( segid "RN15" and resid 190 and name HN )) (( segid "RN15" and resid 189 and name HB2 )) 2.600 0.800 0.800 peak 880 spectrum 1 weight 0.10000E+01 volume 0.30017E-02 ppm1 6.926 ppm2 1.760 CV 1 ASSI { 881} (( segid "RN15" and resid 190 and name HN )) (( segid "RN15" and resid 189 and name HG1 )) 6.000 5.000 0.000 peak 881 spectrum 1 weight 0.10000E+01 volume 0.10281E-03 ppm1 6.924 ppm2 1.376 CV 1 ASSI { 882} (( segid "RN15" and resid 190 and name HN )) (( segid "RN15" and resid 189 and name HG2 )) 4.800 2.900 1.200 peak 882 spectrum 1 weight 0.10000E+01 volume 0.76539E-03 ppm1 6.928 ppm2 1.952 CV 1 ASSI { 883} (( segid "RN15" and resid 190 and name HN )) (( segid "RN15" and resid 190 and name HA )) 2.700 0.900 0.900 peak 883 spectrum 1 weight 0.10000E+01 volume 0.51153E-02 ppm1 6.927 ppm2 4.048 CV 1 ASSI { 884} (( segid "RN15" and resid 190 and name HN )) ( segid "RN15" and resid 190 and name HB% ) 2.200 0.600 0.600 peak 884 spectrum 1 weight 0.10000E+01 volume 0.13382E-01 ppm1 6.926 ppm2 1.101 CV 1 ASSI { 885} (( segid "RN15" and resid 190 and name HN )) (( segid "RN15" and resid 191 and name HN )) 2.400 0.700 0.700 peak 885 spectrum 1 weight 0.10000E+01 volume 0.80543E-02 ppm1 6.927 ppm2 7.434 CV 1 ASSI { 886} (( segid "RN15" and resid 190 and name HN )) (( segid "RN15" and resid 191 and name HA )) 6.000 4.800 0.000 peak 886 spectrum 1 weight 0.10000E+01 volume 0.12882E-03 ppm1 6.930 ppm2 4.837 CV 1 ASSI { 887} (( segid "RN15" and resid 190 and name HN )) (( segid "RN15" and resid 191 and name HD2 )) 6.000 5.700 0.000 peak 887 spectrum 1 weight 0.10000E+01 volume 0.56781E-04 ppm1 6.937 ppm2 6.635 CV 1 ASSI { 891} (( segid "RN15" and resid 191 and name HN )) (( segid "RN15" and resid 189 and name HN )) 4.300 2.300 1.700 peak 891 spectrum 1 weight 0.10000E+01 volume 0.56281E-03 ppm1 7.436 ppm2 8.224 CV 1 ASSI { 892} (( segid "RN15" and resid 191 and name HN )) (( segid "RN15" and resid 189 and name HB1 )) 5.400 3.700 0.600 peak 892 spectrum 1 weight 0.10000E+01 volume 0.22262E-03 ppm1 7.429 ppm2 1.631 CV 1 ASSI { 894} (( segid "RN15" and resid 191 and name HN )) (( segid "RN15" and resid 190 and name HA )) 3.500 1.500 1.500 peak 894 spectrum 1 weight 0.10000E+01 volume 0.19886E-02 ppm1 7.437 ppm2 4.046 CV 1 ASSI { 895} (( segid "RN15" and resid 191 and name HN )) ( segid "RN15" and resid 190 and name HB% ) 2.700 0.900 0.900 peak 895 spectrum 1 weight 0.10000E+01 volume 0.54405E-02 ppm1 7.435 ppm2 1.102 CV 1 ASSI { 896} (( segid "RN15" and resid 191 and name HN )) (( segid "RN15" and resid 191 and name HA )) 2.900 1.100 1.100 peak 896 spectrum 1 weight 0.10000E+01 volume 0.25514E-02 ppm1 7.434 ppm2 4.839 CV 1 ASSI { 897} (( segid "RN15" and resid 191 and name HN )) (( segid "RN15" and resid 191 and name HB1 )) 4.000 2.000 2.000 peak 897 spectrum 1 weight 0.10000E+01 volume 0.89174E-03 ppm1 7.435 ppm2 2.857 CV 1 ASSI { 898} (( segid "RN15" and resid 191 and name HN )) (( segid "RN15" and resid 191 and name HB2 )) 2.600 0.800 0.800 peak 898 spectrum 1 weight 0.10000E+01 volume 0.38521E-02 ppm1 7.434 ppm2 1.811 CV 1 ASSI { 899} (( segid "RN15" and resid 191 and name HN )) (( segid "RN15" and resid 191 and name HD2 )) 3.900 1.900 1.900 peak 899 spectrum 1 weight 0.10000E+01 volume 0.60409E-03 ppm1 7.435 ppm2 6.633 CV 1 ASSI { 900} (( segid "RN15" and resid 191 and name HN )) (( segid "RN15" and resid 192 and name HD1 )) 3.200 1.300 1.300 peak 900 spectrum 1 weight 0.10000E+01 volume 0.11881E-02 ppm1 7.435 ppm2 3.410 CV 1 ASSI { 901} (( segid "RN15" and resid 191 and name HN )) (( segid "RN15" and resid 192 and name HG1 )) 4.400 2.400 1.600 peak 901 spectrum 1 weight 0.10000E+01 volume 0.71039E-03 ppm1 7.436 ppm2 1.959 CV 1 ASSI { 902} (( segid "RN15" and resid 193 and name HN )) ( segid "RN14" and resid 659 and name HG1%) 4.900 3.000 1.100 peak 902 spectrum 1 weight 0.10000E+01 volume 0.34144E-03 ppm1 8.252 ppm2 0.942 CV 1 ASSI { 910} (( segid "RN15" and resid 193 and name HN )) (( segid "RN15" and resid 191 and name HN )) 4.900 3.000 1.100 peak 910 spectrum 1 weight 0.10000E+01 volume 0.39146E-03 ppm1 8.273 ppm2 7.443 CV 1 ASSI { 911} (( segid "RN15" and resid 193 and name HN )) (( segid "RN15" and resid 192 and name HD1 )) 3.600 1.700 1.700 peak 911 spectrum 1 weight 0.10000E+01 volume 0.27390E-02 ppm1 8.255 ppm2 3.408 CV 1 ASSI { 912} (( segid "RN15" and resid 193 and name HN )) (( segid "RN15" and resid 192 and name HD2 )) 2.600 0.900 0.900 peak 912 spectrum 1 weight 0.10000E+01 volume 0.29766E-02 ppm1 8.255 ppm2 3.260 CV 1 ASSI { 913} (( segid "RN15" and resid 193 and name HN )) (( segid "RN15" and resid 193 and name HA )) 2.400 0.700 0.700 peak 913 spectrum 1 weight 0.10000E+01 volume 0.88797E-02 ppm1 8.255 ppm2 4.194 CV 1 ASSI { 914} (( segid "RN15" and resid 193 and name HN )) (( segid "RN15" and resid 193 and name HB1 )) 2.500 0.800 0.800 peak 914 spectrum 1 weight 0.10000E+01 volume 0.15258E-01 ppm1 8.256 ppm2 2.093 CV 1 ASSI { 915} (( segid "RN15" and resid 193 and name HN )) (( segid "RN15" and resid 193 and name HB2 )) 2.100 0.600 0.600 peak 915 spectrum 1 weight 0.10000E+01 volume 0.11944E-01 ppm1 8.256 ppm2 1.965 CV 1 ASSI { 916} (( segid "RN15" and resid 193 and name HN )) (( segid "RN15" and resid 193 and name HG1 )) 3.600 1.600 1.600 peak 916 spectrum 1 weight 0.10000E+01 volume 0.23513E-02 ppm1 8.257 ppm2 2.419 CV 1 ASSI { 917} (( segid "RN15" and resid 193 and name HN )) (( segid "RN15" and resid 193 and name HG2 )) 3.500 1.600 1.600 peak 917 spectrum 1 weight 0.10000E+01 volume 0.44024E-02 ppm1 8.257 ppm2 2.297 CV 1 ASSI { 918} (( segid "RN15" and resid 193 and name HN )) (( segid "RN15" and resid 194 and name HN )) 2.400 0.700 0.700 peak 918 spectrum 1 weight 0.10000E+01 volume 0.61786E-02 ppm1 8.254 ppm2 8.181 CV 1 ASSI { 919} (( segid "RN15" and resid 193 and name HN )) (( segid "RN15" and resid 194 and name HB1 )) 5.800 4.100 0.200 peak 919 spectrum 1 weight 0.10000E+01 volume 0.49903E-03 ppm1 8.257 ppm2 2.617 CV 1 ASSI { 920} (( segid "RN15" and resid 193 and name HN )) (( segid "RN15" and resid 195 and name HN )) 4.200 2.200 1.800 peak 920 spectrum 1 weight 0.10000E+01 volume 0.57781E-03 ppm1 8.256 ppm2 8.688 CV 1 ASSI { 921} (( segid "RN15" and resid 193 and name HN )) ( segid "RN15" and resid 196 and name HB% ) 5.100 3.300 0.900 peak 921 spectrum 1 weight 0.10000E+01 volume 0.22137E-03 ppm1 8.253 ppm2 1.489 CV 1 ASSI { 927} (( segid "RN15" and resid 194 and name HN )) (( segid "RN15" and resid 191 and name HB1 )) 3.600 1.700 1.700 peak 927 spectrum 1 weight 0.10000E+01 volume 0.11019E-02 ppm1 8.201 ppm2 2.831 CV 1 ASSI { 928} (( segid "RN15" and resid 194 and name HN )) (( segid "RN15" and resid 191 and name HB2 )) 3.500 1.600 1.600 peak 928 spectrum 1 weight 0.10000E+01 volume 0.10168E-02 ppm1 8.212 ppm2 1.800 CV 1 ASSI { 929} (( segid "RN15" and resid 194 and name HN )) (( segid "RN15" and resid 193 and name HA )) 5.800 4.200 0.200 peak 929 spectrum 1 weight 0.10000E+01 volume 0.72290E-04 ppm1 8.198 ppm2 4.183 CV 1 ASSI { 930} (( segid "RN15" and resid 194 and name HN )) (( segid "RN15" and resid 193 and name HB1 )) 2.500 2.500 3.500 peak 930 spectrum 1 weight 0.10000E+01 volume 0.59284E-02 ppm1 8.197 ppm2 2.095 CV 1 ASSI { 931} (( segid "RN15" and resid 194 and name HN )) (( segid "RN15" and resid 193 and name HG1 )) 5.600 3.900 0.400 peak 931 spectrum 1 weight 0.10000E+01 volume 0.29266E-03 ppm1 8.195 ppm2 2.419 CV 1 ASSI { 932} (( segid "RN15" and resid 194 and name HN )) (( segid "RN15" and resid 193 and name HG2 )) 5.100 3.300 0.900 peak 932 spectrum 1 weight 0.10000E+01 volume 0.36770E-03 ppm1 8.197 ppm2 2.283 CV 1 ASSI { 933} (( segid "RN15" and resid 194 and name HN )) (( segid "RN15" and resid 194 and name HA )) 3.000 1.100 1.100 peak 933 spectrum 1 weight 0.10000E+01 volume 0.19636E-02 ppm1 8.195 ppm2 4.559 CV 1 ASSI { 934} (( segid "RN15" and resid 194 and name HN )) (( segid "RN15" and resid 194 and name HB1 )) 3.200 1.300 1.300 peak 934 spectrum 1 weight 0.10000E+01 volume 0.46901E-02 ppm1 8.196 ppm2 2.625 CV 1 ASSI { 935} (( segid "RN15" and resid 194 and name HN )) (( segid "RN15" and resid 194 and name HB2 )) 2.800 1.000 1.000 peak 935 spectrum 1 weight 0.10000E+01 volume 0.17885E-02 ppm1 8.194 ppm2 2.934 CV 1 ASSI { 936} (( segid "RN15" and resid 194 and name HN )) (( segid "RN15" and resid 195 and name HN )) 2.500 0.800 0.800 peak 936 spectrum 1 weight 0.10000E+01 volume 0.61660E-02 ppm1 8.197 ppm2 8.680 CV 1 ASSI { 937} (( segid "RN15" and resid 194 and name HN )) (( segid "RN15" and resid 197 and name HN )) 3.500 1.500 1.500 peak 937 spectrum 1 weight 0.10000E+01 volume 0.16259E-02 ppm1 8.202 ppm2 7.838 CV 1 ASSI { 938} (( segid "RN15" and resid 195 and name HN )) (( segid "RN15" and resid 187 and name HH2 )) 4.500 2.500 1.500 peak 938 spectrum 1 weight 0.10000E+01 volume 0.76539E-03 ppm1 8.683 ppm2 6.926 CV 1 ASSI { 945} (( segid "RN15" and resid 195 and name HN )) (( segid "RN15" and resid 196 and name HA )) 6.000 4.600 0.000 peak 945 spectrum 1 weight 0.10000E+01 volume 0.11419E-03 ppm1 8.687 ppm2 3.957 CV 1 ASSI { 950} (( segid "RN15" and resid 195 and name HN )) (( segid "RN15" and resid 187 and name HZ2 )) 5.300 3.500 0.700 peak 950 spectrum 1 weight 0.10000E+01 volume 0.24889E-03 ppm1 8.677 ppm2 7.509 CV 1 ASSI { 951} (( segid "RN15" and resid 195 and name HN )) (( segid "RN15" and resid 187 and name HZ3 )) 4.400 2.400 1.600 peak 951 spectrum 1 weight 0.10000E+01 volume 0.73666E-03 ppm1 8.688 ppm2 6.786 CV 1 ASSI { 952} (( segid "RN15" and resid 195 and name HN )) (( segid "RN15" and resid 188 and name HA )) 4.800 2.800 1.200 peak 952 spectrum 1 weight 0.10000E+01 volume 0.38271E-03 ppm1 8.683 ppm2 3.197 CV 1 ASSI { 953} (( segid "RN15" and resid 195 and name HN )) (( segid "RN15" and resid 191 and name HB1 )) 5.500 3.800 0.500 peak 953 spectrum 1 weight 0.10000E+01 volume 0.40272E-03 ppm1 8.682 ppm2 2.830 CV 1 ASSI { 954} (( segid "RN15" and resid 195 and name HN )) (( segid "RN15" and resid 191 and name HB2 )) 3.600 1.700 1.700 peak 954 spectrum 1 weight 0.10000E+01 volume 0.29641E-03 ppm1 8.683 ppm2 1.811 CV 1 ASSI { 955} (( segid "RN15" and resid 195 and name HN )) (( segid "RN15" and resid 192 and name HA )) 3.200 1.300 1.300 peak 955 spectrum 1 weight 0.10000E+01 volume 0.17260E-02 ppm1 8.682 ppm2 4.286 CV 1 ASSI { 957} (( segid "RN15" and resid 195 and name HN )) (( segid "RN15" and resid 194 and name HA )) 3.400 1.400 1.400 peak 957 spectrum 1 weight 0.10000E+01 volume 0.18635E-02 ppm1 8.682 ppm2 4.552 CV 1 ASSI { 958} (( segid "RN15" and resid 195 and name HN )) (( segid "RN15" and resid 194 and name HB1 )) 3.400 1.500 1.500 peak 958 spectrum 1 weight 0.10000E+01 volume 0.25264E-02 ppm1 8.682 ppm2 2.632 CV 1 ASSI { 959} (( segid "RN15" and resid 195 and name HN )) (( segid "RN15" and resid 194 and name HB2 )) 2.500 0.800 0.800 peak 959 spectrum 1 weight 0.10000E+01 volume 0.21762E-02 ppm1 8.684 ppm2 2.943 CV 1 ASSI { 960} (( segid "RN15" and resid 195 and name HN )) (( segid "RN15" and resid 195 and name HA )) 2.500 0.800 0.800 peak 960 spectrum 1 weight 0.10000E+01 volume 0.28766E-02 ppm1 8.683 ppm2 4.392 CV 1 ASSI { 961} (( segid "RN15" and resid 195 and name HN )) ( segid "RN15" and resid 195 and name HB% ) 2.100 0.500 0.500 peak 961 spectrum 1 weight 0.10000E+01 volume 0.90551E-02 ppm1 8.683 ppm2 1.379 CV 1 ASSI { 962} (( segid "RN15" and resid 195 and name HN )) (( segid "RN15" and resid 196 and name HN )) 2.400 0.700 0.700 peak 962 spectrum 1 weight 0.10000E+01 volume 0.49527E-02 ppm1 8.682 ppm2 7.808 CV 1 ASSI { 967} (( segid "RN15" and resid 196 and name HN )) (( segid "RN15" and resid 194 and name HA )) 4.600 2.700 1.400 peak 967 spectrum 1 weight 0.10000E+01 volume 0.31142E-03 ppm1 7.821 ppm2 4.564 CV 1 ASSI { 969} (( segid "RN15" and resid 196 and name HN )) (( segid "RN15" and resid 187 and name HH2 )) 6.000 5.200 0.000 peak 969 spectrum 1 weight 0.10000E+01 volume 0.10305E-03 ppm1 7.800 ppm2 6.925 CV 1 ASSI { 971} (( segid "RN15" and resid 196 and name HN )) ( segid "RN15" and resid 195 and name HB% ) 1.900 0.500 0.500 peak 971 spectrum 1 weight 0.10000E+01 volume 0.12507E-01 ppm1 7.803 ppm2 1.385 CV 1 ASSI { 972} (( segid "RN15" and resid 196 and name HN )) (( segid "RN15" and resid 196 and name HA )) 2.500 0.800 0.800 peak 972 spectrum 1 weight 0.10000E+01 volume 0.40397E-02 ppm1 7.809 ppm2 3.939 CV 1 ASSI { 973} (( segid "RN15" and resid 196 and name HN )) ( segid "RN15" and resid 196 and name HB% ) 1.800 0.400 0.400 peak 973 spectrum 1 weight 0.10000E+01 volume 0.22762E-01 ppm1 7.807 ppm2 1.504 CV 1 ASSI { 974} (( segid "RN15" and resid 197 and name HN )) (( segid "RN15" and resid 196 and name HA )) 3.000 1.100 1.100 peak 974 spectrum 1 weight 0.10000E+01 volume 0.26264E-02 ppm1 7.836 ppm2 3.935 CV 1 ASSI { 982} (( segid "RN15" and resid 197 and name HN )) (( segid "RN15" and resid 193 and name HB1 )) 3.500 3.500 2.500 peak 982 spectrum 1 weight 0.10000E+01 volume 0.32393E-03 ppm1 7.825 ppm2 2.092 CV 1 ASSI { 984} (( segid "RN15" and resid 197 and name HN )) (( segid "RN15" and resid 194 and name HA )) 3.000 1.100 1.100 peak 984 spectrum 1 weight 0.10000E+01 volume 0.24764E-02 ppm1 7.837 ppm2 4.545 CV 1 ASSI { 985} (( segid "RN15" and resid 197 and name HN )) (( segid "RN15" and resid 195 and name HN )) 4.500 2.600 1.500 peak 985 spectrum 1 weight 0.10000E+01 volume 0.22512E-03 ppm1 7.832 ppm2 8.666 CV 1 ASSI { 986} (( segid "RN15" and resid 197 and name HN )) ( segid "RN15" and resid 196 and name HB% ) 2.400 0.700 0.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.76539E-02 ppm1 7.836 ppm2 1.505 CV 1 ASSI { 987} (( segid "RN15" and resid 197 and name HN )) (( segid "RN15" and resid 197 and name HA )) 2.300 0.700 0.700 peak 987 spectrum 1 weight 0.10000E+01 volume 0.10493E-01 ppm1 7.836 ppm2 4.348 CV 1 ASSI { 988} (( segid "RN15" and resid 197 and name HN )) (( segid "RN15" and resid 197 and name HB2 )) 2.700 0.900 0.900 peak 988 spectrum 1 weight 0.10000E+01 volume 0.42523E-02 ppm1 7.837 ppm2 4.103 CV 1 OR { 988} (( segid "RN15" and resid 197 and name HN )) (( segid "RN15" and resid 197 and name HB1 )) ASSI { 990} (( segid "RN15" and resid 197 and name HN )) (( segid "RN15" and resid 198 and name HB1 )) 4.000 2.100 2.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.13257E-02 ppm1 7.835 ppm2 2.227 CV 1 ASSI { 992} (( segid "RN15" and resid 198 and name HN )) (( segid "RN15" and resid 198 and name HB2 )) 2.300 0.600 0.600 peak 992 spectrum 1 weight 0.10000E+01 volume 0.55155E-02 ppm1 8.789 ppm2 1.507 CV 1 ASSI { 1001} (( segid "RN15" and resid 198 and name HN )) (( segid "RN15" and resid 187 and name HH2 )) 4.600 2.600 1.400 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.40397E-03 ppm1 8.781 ppm2 6.933 CV 1 ASSI { 1002} (( segid "RN15" and resid 198 and name HN )) (( segid "RN15" and resid 187 and name HZ3 )) 6.000 5.300 0.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.10356E-03 ppm1 8.781 ppm2 6.822 CV 1 ASSI { 1003} (( segid "RN15" and resid 198 and name HN )) (( segid "RN15" and resid 194 and name HA )) 4.600 2.700 1.400 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.27390E-03 ppm1 8.782 ppm2 4.537 CV 1 ASSI { 1004} (( segid "RN15" and resid 198 and name HN )) (( segid "RN15" and resid 197 and name HN )) 2.500 0.800 0.800 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.39647E-02 ppm1 8.790 ppm2 7.834 CV 1 ASSI { 1005} (( segid "RN15" and resid 198 and name HN )) (( segid "RN15" and resid 197 and name HA )) 2.800 1.000 1.000 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.42273E-02 ppm1 8.790 ppm2 4.358 CV 1 ASSI { 1006} (( segid "RN15" and resid 198 and name HN )) (( segid "RN15" and resid 197 and name HB2 )) 3.100 1.200 1.200 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.15133E-02 ppm1 8.790 ppm2 4.103 CV 1 OR { 1006} (( segid "RN15" and resid 198 and name HN )) (( segid "RN15" and resid 197 and name HB1 )) ASSI { 1007} (( segid "RN15" and resid 198 and name HN )) (( segid "RN15" and resid 198 and name HA )) 2.600 0.800 0.800 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.29141E-02 ppm1 8.789 ppm2 3.812 CV 1 ASSI { 1008} (( segid "RN15" and resid 198 and name HN )) (( segid "RN15" and resid 198 and name HB1 )) 2.200 0.600 0.600 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.49277E-02 ppm1 8.788 ppm2 2.229 CV 1 ASSI { 1009} (( segid "RN15" and resid 198 and name HN )) ( segid "RN15" and resid 198 and name HD1%) 4.900 3.100 1.100 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.66909E-03 ppm1 8.790 ppm2 0.263 CV 1 ASSI { 1010} (( segid "RN15" and resid 198 and name HN )) ( segid "RN15" and resid 198 and name HD2%) 4.400 2.500 1.600 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.12444E-02 ppm1 8.790 ppm2 0.675 CV 1 ASSI { 1011} (( segid "RN15" and resid 198 and name HN )) (( segid "RN15" and resid 198 and name HG )) 4.200 2.200 1.800 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.14008E-02 ppm1 8.789 ppm2 1.321 CV 1 ASSI { 1012} (( segid "RN15" and resid 198 and name HN )) (( segid "RN15" and resid 199 and name HN )) 2.700 0.900 0.900 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.28515E-02 ppm1 8.790 ppm2 8.184 CV 1 ASSI { 1013} (( segid "RN15" and resid 198 and name HN )) (( segid "RN15" and resid 199 and name HA )) 5.100 3.200 0.900 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.41148E-03 ppm1 8.787 ppm2 3.974 CV 1 ASSI { 1016} (( segid "RN15" and resid 199 and name HN )) (( segid "RN15" and resid 198 and name HA )) 3.700 1.700 1.700 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.64413E-03 ppm1 8.187 ppm2 3.811 CV 1 ASSI { 1028} (( segid "RN15" and resid 199 and name HN )) (( segid "RN15" and resid 198 and name HB1 )) 2.200 0.600 0.600 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.34519E-02 ppm1 8.187 ppm2 2.231 CV 1 ASSI { 1029} (( segid "RN15" and resid 199 and name HN )) ( segid "RN15" and resid 198 and name HD1%) 6.000 5.100 0.000 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.11206E-03 ppm1 8.190 ppm2 0.252 CV 1 ASSI { 1030} (( segid "RN15" and resid 199 and name HN )) (( segid "RN15" and resid 198 and name HG )) 3.100 1.200 1.200 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.17009E-02 ppm1 8.187 ppm2 1.315 CV 1 ASSI { 1031} (( segid "RN15" and resid 199 and name HN )) (( segid "RN15" and resid 199 and name HB2 )) 1.900 0.500 0.500 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.84547E-02 ppm1 8.189 ppm2 1.541 CV 1 ASSI { 1032} (( segid "RN15" and resid 199 and name HN )) ( segid "RN15" and resid 199 and name HD2%) 3.800 1.800 1.800 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.10493E-02 ppm1 8.185 ppm2 0.894 CV 1 ASSI { 1033} (( segid "RN15" and resid 199 and name HN )) (( segid "RN15" and resid 199 and name HG )) 2.000 0.500 0.500 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.80046E-02 ppm1 8.187 ppm2 1.993 CV 1 ASSI { 1034} (( segid "RN15" and resid 199 and name HN )) (( segid "RN15" and resid 200 and name HN )) 2.300 0.600 0.600 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.51153E-02 ppm1 8.185 ppm2 7.849 CV 1 ASSI { 1035} (( segid "RN15" and resid 199 and name HN )) (( segid "RN15" and resid 202 and name HN )) 4.100 2.100 1.900 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.65664E-03 ppm1 8.192 ppm2 8.347 CV 1 ASSI { 1043} (( segid "RN15" and resid 200 and name HN )) (( segid "RN15" and resid 197 and name HA )) 3.600 1.600 1.600 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.12632E-02 ppm1 7.855 ppm2 4.378 CV 1 ASSI { 1044} (( segid "RN15" and resid 200 and name HN )) (( segid "RN15" and resid 198 and name HN )) 3.600 1.600 1.600 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.70165E-03 ppm1 7.852 ppm2 8.778 CV 1 ASSI { 1046} (( segid "RN15" and resid 200 and name HN )) (( segid "RN15" and resid 200 and name HA )) 2.600 0.900 0.900 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.46025E-02 ppm1 7.855 ppm2 4.118 CV 1 ASSI { 1047} (( segid "RN15" and resid 200 and name HN )) (( segid "RN15" and resid 200 and name HB2 )) 2.200 0.600 0.600 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.61032E-02 ppm1 7.852 ppm2 2.261 CV 1 ASSI { 1048} (( segid "RN15" and resid 200 and name HN )) (( segid "RN15" and resid 200 and name HG2 )) 4.200 2.200 1.800 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.22637E-02 ppm1 7.855 ppm2 2.435 CV 1 OR { 1048} (( segid "RN15" and resid 200 and name HN )) (( segid "RN15" and resid 200 and name HG1 )) ASSI { 1050} (( segid "RN15" and resid 200 and name HN )) (( segid "RN15" and resid 202 and name HN )) 3.400 1.500 1.500 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.27265E-02 ppm1 7.852 ppm2 8.344 CV 1 ASSI { 1053} (( segid "RN15" and resid 201 and name HN )) (( segid "RN15" and resid 198 and name HA )) 2.500 2.500 3.500 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.33644E-02 ppm1 7.771 ppm2 3.784 CV 1 ASSI { 1054} (( segid "RN15" and resid 201 and name HN )) (( segid "RN15" and resid 199 and name HN )) 4.400 2.400 1.600 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.50403E-03 ppm1 7.769 ppm2 8.199 CV 1 ASSI { 1055} (( segid "RN15" and resid 201 and name HN )) (( segid "RN15" and resid 200 and name HN )) 2.300 0.600 0.600 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.65161E-02 ppm1 7.770 ppm2 7.870 CV 1 ASSI { 1056} (( segid "RN15" and resid 201 and name HN )) (( segid "RN15" and resid 200 and name HA )) 2.800 1.000 1.000 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.43524E-02 ppm1 7.777 ppm2 4.123 CV 1 ASSI { 1057} (( segid "RN15" and resid 201 and name HN )) (( segid "RN15" and resid 200 and name HB1 )) 2.500 0.800 0.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.38271E-02 ppm1 7.773 ppm2 2.111 CV 1 ASSI { 1058} (( segid "RN15" and resid 201 and name HN )) (( segid "RN15" and resid 200 and name HB2 )) 3.200 1.300 1.300 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.38396E-02 ppm1 7.775 ppm2 2.247 CV 1 ASSI { 1059} (( segid "RN15" and resid 201 and name HN )) (( segid "RN15" and resid 201 and name HA )) 2.400 0.700 0.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.76916E-02 ppm1 7.772 ppm2 4.266 CV 1 ASSI { 1060} (( segid "RN15" and resid 201 and name HN )) (( segid "RN15" and resid 201 and name HB1 )) 2.100 0.500 0.500 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.12632E-01 ppm1 7.774 ppm2 1.917 CV 1 ASSI { 1061} (( segid "RN15" and resid 201 and name HN )) (( segid "RN15" and resid 201 and name HB2 )) 2.800 1.000 1.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.28891E-02 ppm1 7.772 ppm2 1.839 CV 1 ASSI { 1062} (( segid "RN15" and resid 201 and name HN )) ( segid "RN15" and resid 201 and name HD2%) 3.900 1.900 1.900 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.40522E-02 ppm1 7.771 ppm2 0.984 CV 1 ASSI { 1064} (( segid "RN15" and resid 201 and name HN )) (( segid "RN15" and resid 202 and name HB1 )) 5.000 3.100 1.000 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.15133E-02 ppm1 7.769 ppm2 2.874 CV 1 ASSI { 1065} (( segid "RN15" and resid 201 and name HN )) (( segid "RN15" and resid 202 and name HB2 )) 4.300 2.300 1.700 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.13257E-02 ppm1 7.771 ppm2 2.441 CV 1 ASSI { 1068} (( segid "RN15" and resid 202 and name HN )) (( segid "RN15" and resid 198 and name HA )) 4.200 2.200 1.800 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.19511E-03 ppm1 8.347 ppm2 3.800 CV 1 ASSI { 1069} (( segid "RN15" and resid 202 and name HN )) ( segid "RN15" and resid 198 and name HD1%) 5.500 3.800 0.500 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.71787E-04 ppm1 8.349 ppm2 0.266 CV 1 ASSI { 1070} (( segid "RN15" and resid 202 and name HN )) (( segid "RN15" and resid 198 and name HG )) 5.100 3.300 0.900 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.10168E-03 ppm1 8.352 ppm2 1.309 CV 1 ASSI { 1071} (( segid "RN15" and resid 202 and name HN )) ( segid "RN15" and resid 199 and name HD2%) 5.400 3.600 0.600 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.19135E-03 ppm1 8.342 ppm2 0.899 CV 1 ASSI { 1072} (( segid "RN15" and resid 202 and name HN )) (( segid "RN15" and resid 200 and name HA )) 4.100 2.100 1.900 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.76539E-03 ppm1 8.352 ppm2 4.135 CV 1 ASSI { 1073} (( segid "RN15" and resid 202 and name HN )) (( segid "RN15" and resid 200 and name HB1 )) 3.500 3.500 2.500 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.32393E-03 ppm1 8.349 ppm2 2.136 CV 1 ASSI { 1074} (( segid "RN15" and resid 202 and name HN )) (( segid "RN15" and resid 200 and name HB2 )) 3.000 3.000 3.000 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.69040E-03 ppm1 8.343 ppm2 2.270 CV 1 ASSI { 1075} (( segid "RN15" and resid 202 and name HN )) (( segid "RN15" and resid 201 and name HN )) 2.400 0.700 0.700 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.61534E-02 ppm1 8.347 ppm2 7.776 CV 1 ASSI { 1076} (( segid "RN15" and resid 202 and name HN )) (( segid "RN15" and resid 201 and name HA )) 3.600 1.600 1.600 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.13758E-02 ppm1 8.347 ppm2 4.270 CV 1 ASSI { 1077} (( segid "RN15" and resid 202 and name HN )) (( segid "RN15" and resid 201 and name HB1 )) 2.700 0.900 0.900 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.21012E-02 ppm1 8.346 ppm2 1.931 CV 1 ASSI { 1078} (( segid "RN15" and resid 202 and name HN )) (( segid "RN15" and resid 201 and name HB2 )) 3.500 1.600 1.600 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.40522E-02 ppm1 8.347 ppm2 1.873 CV 1 ASSI { 1079} (( segid "RN15" and resid 202 and name HN )) (( segid "RN15" and resid 202 and name HA )) 2.900 1.100 1.100 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.20511E-02 ppm1 8.348 ppm2 4.995 CV 1 ASSI { 1080} (( segid "RN15" and resid 202 and name HN )) (( segid "RN15" and resid 202 and name HB1 )) 3.500 1.500 1.500 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.37271E-02 ppm1 8.345 ppm2 2.874 CV 1 ASSI { 1081} (( segid "RN15" and resid 202 and name HN )) (( segid "RN15" and resid 202 and name HB2 )) 2.800 1.000 1.000 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.20261E-02 ppm1 8.346 ppm2 2.460 CV 1 ASSI { 1082} (( segid "RN15" and resid 202 and name HN )) (( segid "RN15" and resid 203 and name HA )) 4.400 2.400 1.600 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.33519E-03 ppm1 8.366 ppm2 4.573 CV 1 ASSI { 1083} (( segid "RN15" and resid 202 and name HN )) (( segid "RN15" and resid 203 and name HD1 )) 3.800 1.800 1.800 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.14633E-02 ppm1 8.347 ppm2 3.967 CV 1 ASSI { 1084} (( segid "RN15" and resid 202 and name HN )) (( segid "RN15" and resid 203 and name HD2 )) 5.400 3.600 0.600 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.36895E-03 ppm1 8.348 ppm2 3.480 CV 1 ASSI { 1085} (( segid "RN15" and resid 202 and name HN )) ( segid "RN14" and resid 655 and name HB% ) 4.800 2.900 1.200 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.44400E-04 ppm1 8.340 ppm2 1.589 CV 1 ASSI { 1086} (( segid "RN15" and resid 204 and name HN )) (( segid "RN15" and resid 202 and name HA )) 6.000 4.500 0.000 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.715 ppm2 5.030 CV 1 ASSI { 1093} (( segid "RN15" and resid 204 and name HE22)) (( segid "RN15" and resid 204 and name HE21)) 2.400 0.700 0.700 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.23638E-02 ppm1 6.584 ppm2 7.891 CV 1 ASSI { 1095} (( segid "RN15" and resid 204 and name HE21)) (( segid "RN15" and resid 204 and name HG1 )) 3.500 1.500 1.500 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.28141E-03 ppm1 7.884 ppm2 2.839 CV 1 ASSI { 1096} (( segid "RN15" and resid 204 and name HE22)) (( segid "RN15" and resid 204 and name HG1 )) 3.900 1.900 1.900 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.11382E-02 ppm1 6.569 ppm2 2.841 CV 1 ASSI { 1102} (( segid "RN15" and resid 205 and name HN )) (( segid "RN15" and resid 202 and name HB1 )) 3.100 1.200 1.200 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.15508E-02 ppm1 8.161 ppm2 2.865 CV 1 ASSI { 1103} (( segid "RN15" and resid 205 and name HN )) (( segid "RN15" and resid 202 and name HB2 )) 3.200 1.300 1.300 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.17135E-02 ppm1 8.153 ppm2 2.462 CV 1 ASSI { 1104} (( segid "RN15" and resid 205 and name HN )) (( segid "RN15" and resid 204 and name HN )) 2.700 0.900 0.900 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.19386E-02 ppm1 8.160 ppm2 10.714 CV 1 ASSI { 1105} (( segid "RN15" and resid 205 and name HN )) (( segid "RN15" and resid 204 and name HA )) 4.000 2.000 2.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.44775E-03 ppm1 8.156 ppm2 3.212 CV 1 ASSI { 1106} (( segid "RN15" and resid 205 and name HN )) (( segid "RN15" and resid 205 and name HA )) 2.300 0.700 0.700 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.43399E-02 ppm1 8.160 ppm2 4.050 CV 1 ASSI { 1107} (( segid "RN15" and resid 205 and name HN )) (( segid "RN15" and resid 205 and name HB1 )) 2.200 0.600 0.600 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.46651E-02 ppm1 8.158 ppm2 1.484 CV 1 ASSI { 1108} (( segid "RN15" and resid 205 and name HN )) (( segid "RN15" and resid 205 and name HB2 )) 2.300 0.600 0.600 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.42523E-02 ppm1 8.158 ppm2 1.881 CV 1 ASSI { 1109} (( segid "RN15" and resid 205 and name HN )) ( segid "RN15" and resid 205 and name HD1%) 3.900 1.900 1.900 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.25514E-02 ppm1 8.157 ppm2 0.635 CV 1 OR { 1109} (( segid "RN15" and resid 205 and name HN )) ( segid "RN15" and resid 205 and name HD2%) ASSI { 1110} (( segid "RN15" and resid 205 and name HN )) (( segid "RN15" and resid 206 and name HN )) 2.400 0.700 0.700 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.37771E-02 ppm1 8.159 ppm2 7.639 CV 1 ASSI { 1111} (( segid "RN15" and resid 205 and name HN )) (( segid "RN15" and resid 207 and name HN )) 4.200 2.200 1.800 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.37271E-03 ppm1 8.153 ppm2 7.472 CV 1 ASSI { 1114} (( segid "RN15" and resid 206 and name HN )) ( segid "RN15" and resid 199 and name HD2%) 2.300 0.700 0.700 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.24013E-02 ppm1 7.640 ppm2 0.907 CV 1 ASSI { 1115} (( segid "RN15" and resid 206 and name HN )) (( segid "RN15" and resid 203 and name HA )) 2.700 0.900 0.900 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.28766E-02 ppm1 7.638 ppm2 4.569 CV 1 ASSI { 1116} (( segid "RN15" and resid 206 and name HN )) (( segid "RN15" and resid 204 and name HN )) 3.900 1.900 1.900 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.67412E-03 ppm1 7.651 ppm2 10.735 CV 1 ASSI { 1118} (( segid "RN15" and resid 206 and name HN )) (( segid "RN15" and resid 205 and name HB1 )) 2.400 0.700 0.700 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.25139E-02 ppm1 7.640 ppm2 1.493 CV 1 ASSI { 1119} (( segid "RN15" and resid 206 and name HN )) (( segid "RN15" and resid 205 and name HB2 )) 3.900 1.900 1.900 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.14258E-02 ppm1 7.639 ppm2 1.886 CV 1 ASSI { 1120} (( segid "RN15" and resid 206 and name HN )) (( segid "RN15" and resid 206 and name HA )) 2.600 0.800 0.800 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.32143E-02 ppm1 7.639 ppm2 4.029 CV 1 ASSI { 1121} (( segid "RN15" and resid 206 and name HN )) (( segid "RN15" and resid 206 and name HB1 )) 2.900 1.100 1.100 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.27140E-02 ppm1 7.641 ppm2 3.764 CV 1 ASSI { 1122} (( segid "RN15" and resid 206 and name HN )) (( segid "RN15" and resid 206 and name HG )) 3.600 1.600 1.600 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.52904E-03 ppm1 7.640 ppm2 5.299 CV 1 ASSI { 1123} (( segid "RN15" and resid 206 and name HN )) (( segid "RN15" and resid 207 and name HN )) 2.600 0.800 0.800 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.32393E-02 ppm1 7.641 ppm2 7.495 CV 1 ASSI { 1124} (( segid "RN15" and resid 206 and name HN )) (( segid "RN15" and resid 207 and name HB2 )) 3.900 1.900 1.900 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.12494E-02 ppm1 7.640 ppm2 2.821 CV 1 ASSI { 1125} (( segid "RN15" and resid 206 and name HN )) ( segid "RN14" and resid 658 and name HD2%) 5.000 3.200 1.000 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.37020E-03 ppm1 7.638 ppm2 1.040 CV 1 ASSI { 1134} (( segid "RN15" and resid 207 and name HN )) (( segid "RN15" and resid 204 and name HA )) 3.500 1.500 1.500 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.81543E-03 ppm1 7.491 ppm2 3.219 CV 1 ASSI { 1136} (( segid "RN15" and resid 207 and name HN )) (( segid "RN15" and resid 206 and name HA )) 4.000 2.000 2.000 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.49152E-03 ppm1 7.487 ppm2 4.017 CV 1 ASSI { 1137} (( segid "RN15" and resid 207 and name HN )) (( segid "RN15" and resid 206 and name HB1 )) 4.100 2.100 1.900 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.94675E-03 ppm1 7.489 ppm2 3.762 CV 1 ASSI { 1138} (( segid "RN15" and resid 207 and name HN )) (( segid "RN15" and resid 206 and name HG )) 5.500 3.700 0.500 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.12507E-03 ppm1 7.490 ppm2 5.307 CV 1 ASSI { 1139} (( segid "RN15" and resid 207 and name HN )) (( segid "RN15" and resid 207 and name HA )) 2.300 0.700 0.700 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.64784E-02 ppm1 7.491 ppm2 4.086 CV 1 ASSI { 1140} (( segid "RN15" and resid 207 and name HN )) (( segid "RN15" and resid 207 and name HB1 )) 3.600 1.600 1.600 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.32017E-02 ppm1 7.492 ppm2 3.047 CV 1 ASSI { 1141} (( segid "RN15" and resid 207 and name HN )) (( segid "RN15" and resid 207 and name HB2 )) 2.300 0.700 0.700 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.41773E-02 ppm1 7.490 ppm2 2.813 CV 1 ASSI { 1142} (( segid "RN15" and resid 207 and name HN )) ( segid "RN15" and resid 207 and name HD% ) 3.600 1.600 1.600 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.16134E-02 ppm1 7.490 ppm2 7.131 CV 1 ASSI { 1153} (( segid "RN15" and resid 208 and name HN )) (( segid "RN15" and resid 204 and name HA )) 5.500 3.800 0.500 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.56406E-04 ppm1 8.026 ppm2 3.212 CV 1 ASSI { 1154} (( segid "RN15" and resid 208 and name HN )) (( segid "RN15" and resid 207 and name HN )) 2.500 0.800 0.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.33769E-02 ppm1 8.023 ppm2 7.484 CV 1 ASSI { 1156} (( segid "RN15" and resid 208 and name HN )) (( segid "RN15" and resid 207 and name HB1 )) 3.400 1.400 1.400 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.20011E-02 ppm1 8.022 ppm2 3.042 CV 1 ASSI { 1157} (( segid "RN15" and resid 208 and name HN )) (( segid "RN15" and resid 207 and name HB2 )) 3.100 1.200 1.200 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.17009E-02 ppm1 8.019 ppm2 2.815 CV 1 ASSI { 1158} (( segid "RN15" and resid 208 and name HN )) ( segid "RN15" and resid 207 and name HD% ) 5.100 3.200 0.900 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.43024E-03 ppm1 8.025 ppm2 7.143 CV 1 ASSI { 1159} (( segid "RN15" and resid 208 and name HN )) (( segid "RN15" and resid 208 and name HA )) 2.400 0.700 0.700 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.31267E-02 ppm1 8.021 ppm2 3.492 CV 1 ASSI { 1160} (( segid "RN15" and resid 208 and name HN )) (( segid "RN15" and resid 208 and name HB )) 2.100 0.500 0.500 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.53154E-02 ppm1 8.022 ppm2 2.086 CV 1 ASSI { 1161} (( segid "RN15" and resid 208 and name HN )) ( segid "RN15" and resid 208 and name HG1%) 3.200 1.300 1.300 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.34269E-02 ppm1 8.023 ppm2 0.708 CV 1 ASSI { 1162} (( segid "RN15" and resid 208 and name HN )) ( segid "RN15" and resid 208 and name HG2%) 2.900 1.000 1.000 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.63785E-02 ppm1 8.023 ppm2 1.025 CV 1 ASSI { 1163} (( segid "RN15" and resid 208 and name HN )) (( segid "RN15" and resid 209 and name HN )) 2.400 0.700 0.700 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.45400E-02 ppm1 8.023 ppm2 7.907 CV 1 ASSI { 1164} (( segid "RN15" and resid 208 and name HN )) (( segid "RN15" and resid 209 and name HA )) 5.000 3.100 1.000 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.36645E-03 ppm1 8.029 ppm2 3.666 CV 1 ASSI { 1165} (( segid "RN15" and resid 209 and name HN )) (( segid "RN15" and resid 205 and name HA )) 3.400 1.400 1.400 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.29266E-02 ppm1 7.896 ppm2 4.066 CV 1 ASSI { 1166} (( segid "RN15" and resid 209 and name HN )) (( segid "RN15" and resid 206 and name HA )) 4.200 2.300 1.800 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.17510E-03 ppm1 7.900 ppm2 4.004 CV 1 ASSI { 1167} (( segid "RN15" and resid 209 and name HN )) (( segid "RN15" and resid 207 and name HN )) 4.700 2.800 1.300 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.29266E-03 ppm1 7.894 ppm2 7.493 CV 1 ASSI { 1169} (( segid "RN15" and resid 209 and name HN )) (( segid "RN15" and resid 208 and name HA )) 3.300 1.300 1.300 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.80046E-03 ppm1 7.903 ppm2 3.476 CV 1 ASSI { 1170} (( segid "RN15" and resid 209 and name HN )) (( segid "RN15" and resid 209 and name HA )) 2.500 0.800 0.800 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.29016E-02 ppm1 7.901 ppm2 3.658 CV 1 ASSI { 1171} (( segid "RN15" and resid 209 and name HN )) (( segid "RN15" and resid 209 and name HB )) 2.100 0.600 0.600 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.75043E-02 ppm1 7.896 ppm2 4.348 CV 1 ASSI { 1172} (( segid "RN15" and resid 209 and name HN )) (( segid "RN15" and resid 209 and name HG1 )) 2.400 0.700 0.700 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.49777E-02 ppm1 7.900 ppm2 4.158 CV 1 ASSI { 1173} (( segid "RN15" and resid 209 and name HN )) ( segid "RN15" and resid 209 and name HG2%) 4.800 2.900 1.200 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.46776E-03 ppm1 7.902 ppm2 1.278 CV 1 ASSI { 1183} (( segid "RN15" and resid 210 and name HN )) (( segid "RN15" and resid 209 and name HN )) 2.300 0.700 0.700 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.46025E-02 ppm1 8.021 ppm2 7.922 CV 1 ASSI { 1184} (( segid "RN15" and resid 210 and name HN )) (( segid "RN15" and resid 209 and name HA )) 3.400 1.400 1.400 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.89300E-03 ppm1 8.022 ppm2 3.657 CV 1 ASSI { 1185} (( segid "RN15" and resid 210 and name HN )) (( segid "RN15" and resid 209 and name HB )) 2.300 0.700 0.700 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.63162E-02 ppm1 8.022 ppm2 4.339 CV 1 ASSI { 1186} (( segid "RN15" and resid 210 and name HN )) ( segid "RN15" and resid 209 and name HG2%) 3.300 1.400 1.400 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.19886E-02 ppm1 8.024 ppm2 1.271 CV 1 ASSI { 1187} (( segid "RN15" and resid 210 and name HN )) (( segid "RN15" and resid 210 and name HA )) 2.600 0.800 0.800 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.32393E-02 ppm1 8.026 ppm2 3.848 CV 1 ASSI { 1188} (( segid "RN15" and resid 210 and name HN )) ( segid "RN15" and resid 210 and name HB% ) 2.000 0.500 0.500 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.12282E-01 ppm1 8.023 ppm2 1.348 CV 1 ASSI { 1189} (( segid "RN15" and resid 211 and name HN )) (( segid "RN15" and resid 208 and name HA )) 4.300 2.300 1.700 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.57279E-03 ppm1 8.047 ppm2 3.490 CV 1 ASSI { 1190} (( segid "RN15" and resid 211 and name HN )) (( segid "RN15" and resid 211 and name HA )) 2.600 0.800 0.800 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.26765E-02 ppm1 8.045 ppm2 4.043 CV 1 ASSI { 1202} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 177 and name HB1 )) 4.600 2.700 1.400 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.23388E-02 ppm1 8.598 ppm2 1.820 CV 1 ASSI { 1203} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 208 and name HA )) 4.800 2.900 1.200 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.39647E-03 ppm1 8.600 ppm2 3.490 CV 1 ASSI { 1204} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 209 and name HA )) 3.500 1.500 1.500 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.86798E-03 ppm1 8.598 ppm2 3.646 CV 1 ASSI { 1205} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 211 and name HN )) 2.500 0.800 0.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.30767E-02 ppm1 8.602 ppm2 8.038 CV 1 ASSI { 1206} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 211 and name HB2 )) 2.800 0.900 0.900 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.19886E-02 ppm1 8.602 ppm2 2.065 CV 1 OR { 1206} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 211 and name HB1 )) ASSI { 1207} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 212 and name HB1 )) 3.200 1.200 1.200 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.31017E-02 ppm1 8.595 ppm2 2.239 CV 1 ASSI { 1208} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 212 and name HB2 )) 2.300 0.700 0.700 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.27891E-02 ppm1 8.597 ppm2 1.214 CV 1 ASSI { 1209} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 212 and name HG )) 2.300 0.700 0.700 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.30892E-02 ppm1 8.596 ppm2 1.941 CV 1 ASSI { 1210} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 213 and name HN )) 2.500 0.800 0.800 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.32518E-02 ppm1 8.597 ppm2 8.341 CV 1 ASSI { 1211} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 214 and name HN )) 4.400 2.400 1.600 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.35644E-03 ppm1 8.590 ppm2 8.182 CV 1 ASSI { 1212} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 181 and name HG )) 5.300 3.500 0.700 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.30642E-03 ppm1 8.335 ppm2 2.126 CV 1 ASSI { 1213} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 209 and name HA )) 3.900 1.900 1.900 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.59535E-03 ppm1 8.338 ppm2 3.657 CV 1 ASSI { 1214} (( segid "RN15" and resid 213 and name HN )) ( segid "RN15" and resid 209 and name HG2%) 4.900 3.000 1.100 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.44899E-03 ppm1 8.343 ppm2 1.271 CV 1 ASSI { 1216} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 214 and name HN )) 2.300 0.700 0.700 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.46401E-02 ppm1 8.342 ppm2 8.207 CV 1 ASSI { 1217} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 216 and name HD22)) 4.600 2.600 1.400 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.38396E-03 ppm1 8.347 ppm2 7.623 CV 1 ASSI { 1221} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 214 and name HG )) 2.000 0.500 0.500 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.63910E-02 ppm1 8.205 ppm2 1.748 CV 1 ASSI { 1230} (( segid "RN15" and resid 214 and name HN )) ( segid "RN15" and resid 214 and name HD2%) 3.600 1.600 1.600 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.11969E-02 ppm1 8.202 ppm2 0.721 CV 1 ASSI { 1232} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 215 and name HA )) 4.700 2.800 1.300 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.67035E-03 ppm1 8.196 ppm2 4.181 CV 1 ASSI { 1233} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 216 and name HD21)) 4.500 2.500 1.500 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.55405E-03 ppm1 8.215 ppm2 7.903 CV 1 ASSI { 1234} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 219 and name HN )) 4.600 2.700 1.400 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.39772E-03 ppm1 8.209 ppm2 7.468 CV 1 ASSI { 1237} (( segid "RN15" and resid 215 and name HN )) (( segid "RN15" and resid 212 and name HA )) 3.800 1.800 1.800 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.11906E-02 ppm1 9.087 ppm2 4.034 CV 1 ASSI { 1238} (( segid "RN15" and resid 215 and name HN )) (( segid "RN15" and resid 212 and name HB2 )) 5.800 4.100 0.200 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.19386E-03 ppm1 9.083 ppm2 1.221 CV 1 ASSI { 1239} (( segid "RN15" and resid 215 and name HN )) (( segid "RN15" and resid 214 and name HN )) 2.400 0.700 0.700 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.31142E-02 ppm1 9.084 ppm2 8.200 CV 1 ASSI { 1240} (( segid "RN15" and resid 215 and name HN )) (( segid "RN15" and resid 214 and name HB1 )) 3.200 1.300 1.300 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.32268E-02 ppm1 9.086 ppm2 1.911 CV 1 ASSI { 1241} (( segid "RN15" and resid 215 and name HN )) (( segid "RN15" and resid 214 and name HB2 )) 2.400 0.700 0.700 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.25764E-02 ppm1 9.087 ppm2 1.540 CV 1 ASSI { 1242} (( segid "RN15" and resid 215 and name HN )) ( segid "RN15" and resid 214 and name HD1%) 2.900 2.900 3.100 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.10143E-02 ppm1 9.087 ppm2 0.801 CV 1 ASSI { 1243} (( segid "RN15" and resid 215 and name HN )) ( segid "RN15" and resid 214 and name HD2%) 4.500 2.500 1.500 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.95052E-03 ppm1 9.090 ppm2 0.714 CV 1 ASSI { 1244} (( segid "RN15" and resid 215 and name HN )) (( segid "RN15" and resid 214 and name HG )) 3.800 1.800 1.800 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.12882E-02 ppm1 9.085 ppm2 1.736 CV 1 ASSI { 1245} (( segid "RN15" and resid 215 and name HN )) (( segid "RN15" and resid 215 and name HA )) 2.800 1.000 1.000 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.30142E-02 ppm1 9.087 ppm2 4.171 CV 1 ASSI { 1246} (( segid "RN15" and resid 215 and name HN )) (( segid "RN15" and resid 215 and name HB )) 2.900 1.100 1.100 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.35644E-02 ppm1 9.087 ppm2 4.308 CV 1 ASSI { 1247} (( segid "RN15" and resid 215 and name HN )) ( segid "RN15" and resid 215 and name HG2%) 2.100 0.500 0.500 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.56156E-02 ppm1 9.087 ppm2 1.384 CV 1 ASSI { 1248} (( segid "RN15" and resid 215 and name HN )) (( segid "RN15" and resid 216 and name HN )) 2.800 1.000 1.000 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.19886E-02 ppm1 9.088 ppm2 7.129 CV 1 ASSI { 1249} (( segid "RN15" and resid 215 and name HN )) (( segid "RN15" and resid 216 and name HB1 )) 6.000 4.600 0.000 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.18260E-03 ppm1 9.084 ppm2 2.678 CV 1 ASSI { 1258} (( segid "RN15" and resid 216 and name HN )) ( segid "RN15" and resid 212 and name HD2%) 4.200 2.200 1.800 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.94675E-04 ppm1 7.129 ppm2 0.707 CV 1 ASSI { 1260} (( segid "RN15" and resid 216 and name HN )) (( segid "RN15" and resid 215 and name HA )) 3.800 1.800 1.800 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.84924E-03 ppm1 7.133 ppm2 4.168 CV 1 ASSI { 1261} (( segid "RN15" and resid 216 and name HN )) ( segid "RN15" and resid 215 and name HG2%) 3.300 1.400 1.400 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.87175E-03 ppm1 7.133 ppm2 1.377 CV 1 ASSI { 1262} (( segid "RN15" and resid 216 and name HN )) (( segid "RN15" and resid 216 and name HA )) 2.800 1.000 1.000 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.35519E-02 ppm1 7.128 ppm2 4.897 CV 1 ASSI { 1263} (( segid "RN15" and resid 216 and name HN )) (( segid "RN15" and resid 216 and name HB1 )) 2.800 1.000 1.000 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.42023E-02 ppm1 7.131 ppm2 2.681 CV 1 ASSI { 1264} (( segid "RN15" and resid 216 and name HN )) (( segid "RN15" and resid 216 and name HB2 )) 2.600 0.900 0.900 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.41648E-02 ppm1 7.128 ppm2 2.840 CV 1 ASSI { 1265} (( segid "RN15" and resid 216 and name HN )) (( segid "RN15" and resid 216 and name HD22)) 3.300 1.400 1.400 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.18385E-02 ppm1 7.130 ppm2 7.643 CV 1 ASSI { 1266} (( segid "RN15" and resid 216 and name HN )) (( segid "RN15" and resid 217 and name HN )) 2.400 0.700 0.700 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.64910E-02 ppm1 7.130 ppm2 7.950 CV 1 ASSI { 1267} (( segid "RN15" and resid 216 and name HN )) (( segid "RN15" and resid 217 and name HA1 )) 3.800 1.800 1.800 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.41898E-02 ppm1 7.133 ppm2 4.018 CV 1 OR { 1267} (( segid "RN15" and resid 216 and name HN )) (( segid "RN15" and resid 217 and name HA2 )) ASSI { 1269} (( segid "RN15" and resid 216 and name HN )) ( segid "RN15" and resid 218 and name HD1%) 4.100 2.100 1.900 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.16884E-02 ppm1 7.133 ppm2 0.899 CV 1 ASSI { 1273} (( segid "RN15" and resid 216 and name HD22)) (( segid "RN15" and resid 177 and name HB1 )) 5.600 4.000 0.400 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.19260E-03 ppm1 7.643 ppm2 1.810 CV 1 ASSI { 1274} (( segid "RN15" and resid 216 and name HD21)) (( segid "RN15" and resid 177 and name HB2 )) 4.800 2.900 1.200 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.10343E-03 ppm1 7.932 ppm2 2.002 CV 1 ASSI { 1275} (( segid "RN15" and resid 216 and name HD21)) (( segid "RN15" and resid 177 and name HG1 )) 3.100 3.100 2.900 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.99056E-03 ppm1 7.930 ppm2 2.512 CV 1 ASSI { 1276} (( segid "RN15" and resid 216 and name HD22)) (( segid "RN15" and resid 177 and name HG1 )) 4.000 2.000 2.000 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.32017E-03 ppm1 7.654 ppm2 2.517 CV 1 ASSI { 1277} (( segid "RN15" and resid 216 and name HD21)) ( segid "RN15" and resid 212 and name HD2%) 3.000 3.000 3.000 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.80669E-03 ppm1 7.924 ppm2 0.750 CV 1 ASSI { 1278} (( segid "RN15" and resid 216 and name HD22)) ( segid "RN15" and resid 212 and name HD2%) 2.800 2.800 3.200 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.12207E-02 ppm1 7.645 ppm2 0.729 CV 1 ASSI { 1279} (( segid "RN15" and resid 216 and name HD22)) ( segid "RN15" and resid 215 and name HG2%) 4.200 2.200 1.800 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.43274E-03 ppm1 7.641 ppm2 1.376 CV 1 ASSI { 1280} (( segid "RN15" and resid 216 and name HD21)) (( segid "RN15" and resid 216 and name HN )) 3.400 1.500 1.500 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.96554E-03 ppm1 7.926 ppm2 7.119 CV 1 ASSI { 1281} (( segid "RN15" and resid 216 and name HD21)) (( segid "RN15" and resid 216 and name HA )) 5.700 4.100 0.300 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.18135E-03 ppm1 7.917 ppm2 4.915 CV 1 ASSI { 1282} (( segid "RN15" and resid 216 and name HD21)) (( segid "RN15" and resid 216 and name HB1 )) 2.700 0.900 0.900 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.19886E-02 ppm1 7.926 ppm2 2.677 CV 1 ASSI { 1283} (( segid "RN15" and resid 216 and name HD22)) (( segid "RN15" and resid 216 and name HB1 )) 4.300 2.300 1.700 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.73666E-03 ppm1 7.646 ppm2 2.673 CV 1 ASSI { 1284} (( segid "RN15" and resid 216 and name HD21)) (( segid "RN15" and resid 216 and name HB2 )) 3.000 1.100 1.100 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.13257E-02 ppm1 7.929 ppm2 2.844 CV 1 ASSI { 1285} (( segid "RN15" and resid 216 and name HD22)) (( segid "RN15" and resid 216 and name HB2 )) 6.000 4.700 0.000 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.92801E-04 ppm1 7.646 ppm2 2.855 CV 1 ASSI { 1286} (( segid "RN15" and resid 216 and name HD22)) (( segid "RN15" and resid 216 and name HD21)) 1.800 0.400 0.400 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.62037E-02 ppm1 7.646 ppm2 7.924 CV 1 ASSI { 1290} (( segid "RN15" and resid 216 and name HD21)) ( segid "RN15" and resid 218 and name HD1%) 3.800 1.800 1.800 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.15884E-02 ppm1 7.922 ppm2 0.905 CV 1 ASSI { 1293} (( segid "RN15" and resid 217 and name HN )) (( segid "RN15" and resid 220 and name HA )) 4.600 2.600 1.400 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.39397E-03 ppm1 7.959 ppm2 4.731 CV 1 ASSI { 1296} (( segid "RN15" and resid 217 and name HN )) (( segid "RN15" and resid 214 and name HA )) 3.100 1.200 1.200 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.16134E-02 ppm1 7.962 ppm2 4.318 CV 1 ASSI { 1297} (( segid "RN15" and resid 217 and name HN )) ( segid "RN15" and resid 214 and name HD2%) 4.800 2.900 1.200 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.42523E-03 ppm1 7.970 ppm2 0.730 CV 1 ASSI { 1298} (( segid "RN15" and resid 217 and name HN )) (( segid "RN15" and resid 215 and name HN )) 4.300 2.300 1.700 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.35519E-03 ppm1 7.962 ppm2 9.081 CV 1 ASSI { 1299} (( segid "RN15" and resid 217 and name HN )) ( segid "RN15" and resid 215 and name HG2%) 3.600 1.600 1.600 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.24764E-03 ppm1 7.964 ppm2 1.378 CV 1 ASSI { 1301} (( segid "RN15" and resid 217 and name HN )) (( segid "RN15" and resid 216 and name HA )) 3.100 1.200 1.200 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.26139E-02 ppm1 7.962 ppm2 4.906 CV 1 ASSI { 1302} (( segid "RN15" and resid 217 and name HN )) (( segid "RN15" and resid 216 and name HB1 )) 4.600 2.600 1.400 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.41398E-03 ppm1 7.957 ppm2 2.678 CV 1 ASSI { 1303} (( segid "RN15" and resid 217 and name HN )) (( segid "RN15" and resid 216 and name HB2 )) 4.400 2.400 1.600 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.26390E-03 ppm1 7.959 ppm2 2.851 CV 1 ASSI { 1304} (( segid "RN15" and resid 217 and name HN )) (( segid "RN15" and resid 217 and name HA1 )) 2.200 0.600 0.600 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.16259E-01 ppm1 7.962 ppm2 4.024 CV 1 OR { 1304} (( segid "RN15" and resid 217 and name HN )) (( segid "RN15" and resid 217 and name HA2 )) ASSI { 1305} (( segid "RN15" and resid 217 and name HN )) (( segid "RN15" and resid 218 and name HN )) 2.500 0.800 0.800 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.44775E-02 ppm1 7.961 ppm2 8.335 CV 1 ASSI { 1306} (( segid "RN15" and resid 217 and name HN )) (( segid "RN15" and resid 218 and name HB )) 5.500 3.800 0.500 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.26890E-03 ppm1 7.961 ppm2 1.962 CV 1 ASSI { 1307} (( segid "RN15" and resid 217 and name HN )) ( segid "RN15" and resid 218 and name HD1%) 5.200 3.400 0.800 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.39522E-03 ppm1 7.968 ppm2 0.906 CV 1 ASSI { 1308} (( segid "RN15" and resid 217 and name HN )) (( segid "RN15" and resid 218 and name HG11)) 6.000 5.800 0.000 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.15508E-03 ppm1 7.960 ppm2 1.534 CV 1 ASSI { 1309} (( segid "RN15" and resid 217 and name HN )) (( segid "RN15" and resid 218 and name HG12)) 5.200 3.400 0.800 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.26264E-03 ppm1 7.963 ppm2 1.192 CV 1 ASSI { 1310} (( segid "RN15" and resid 217 and name HN )) (( segid "RN15" and resid 219 and name HN )) 3.800 1.800 1.800 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.87672E-03 ppm1 7.959 ppm2 7.457 CV 1 ASSI { 1311} (( segid "RN15" and resid 218 and name HN )) (( segid "RN15" and resid 216 and name HN )) 3.800 1.800 1.800 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.12757E-02 ppm1 8.331 ppm2 7.144 CV 1 ASSI { 1312} (( segid "RN15" and resid 218 and name HN )) (( segid "RN15" and resid 216 and name HB1 )) 5.200 3.400 0.800 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.19010E-03 ppm1 8.336 ppm2 2.707 CV 1 ASSI { 1314} (( segid "RN15" and resid 218 and name HN )) (( segid "RN15" and resid 217 and name HA2 )) 2.400 0.700 0.700 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.11419E-01 ppm1 8.338 ppm2 4.033 CV 1 OR { 1314} (( segid "RN15" and resid 218 and name HN )) (( segid "RN15" and resid 217 and name HA1 )) ASSI { 1315} (( segid "RN15" and resid 218 and name HN )) (( segid "RN15" and resid 218 and name HA )) 2.400 0.700 0.700 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.71039E-02 ppm1 8.335 ppm2 3.884 CV 1 ASSI { 1316} (( segid "RN15" and resid 218 and name HN )) (( segid "RN15" and resid 218 and name HB )) 2.500 0.800 0.800 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.59158E-02 ppm1 8.337 ppm2 1.950 CV 1 ASSI { 1317} (( segid "RN15" and resid 218 and name HN )) (( segid "RN15" and resid 218 and name HG12)) 2.400 0.700 0.700 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.22137E-02 ppm1 8.340 ppm2 1.172 CV 1 ASSI { 1318} (( segid "RN15" and resid 218 and name HN )) ( segid "RN15" and resid 218 and name HG2%) 4.000 2.000 2.000 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.19511E-02 ppm1 8.340 ppm2 1.029 CV 1 ASSI { 1319} (( segid "RN15" and resid 218 and name HN )) (( segid "RN15" and resid 219 and name HN )) 2.300 0.600 0.600 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.81046E-02 ppm1 8.336 ppm2 7.479 CV 1 ASSI { 1325} (( segid "RN15" and resid 219 and name HN )) (( segid "RN15" and resid 213 and name HG )) 6.000 6.000 0.000 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.32393E-04 ppm1 7.478 ppm2 2.232 CV 1 ASSI { 1326} (( segid "RN15" and resid 219 and name HN )) ( segid "RN15" and resid 214 and name HD2%) 3.500 1.500 1.500 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.12882E-02 ppm1 7.475 ppm2 0.710 CV 1 ASSI { 1328} (( segid "RN15" and resid 219 and name HN )) (( segid "RN15" and resid 218 and name HA )) 3.100 1.200 1.200 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.25389E-02 ppm1 7.477 ppm2 3.867 CV 1 ASSI { 1329} (( segid "RN15" and resid 219 and name HN )) (( segid "RN15" and resid 218 and name HB )) 2.400 0.700 0.700 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.47526E-02 ppm1 7.476 ppm2 1.955 CV 1 ASSI { 1330} (( segid "RN15" and resid 219 and name HN )) (( segid "RN15" and resid 218 and name HG12)) 4.500 2.500 1.500 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.53780E-03 ppm1 7.477 ppm2 1.178 CV 1 ASSI { 1331} (( segid "RN15" and resid 219 and name HN )) ( segid "RN15" and resid 218 and name HG2%) 3.800 1.800 1.800 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.18760E-02 ppm1 7.476 ppm2 1.016 CV 1 ASSI { 1332} (( segid "RN15" and resid 219 and name HN )) (( segid "RN15" and resid 219 and name HB1 )) 4.000 2.000 2.000 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.12232E-02 ppm1 7.482 ppm2 3.440 CV 1 ASSI { 1333} (( segid "RN15" and resid 219 and name HN )) (( segid "RN15" and resid 219 and name HB2 )) 2.900 1.100 1.100 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.16134E-02 ppm1 7.477 ppm2 2.877 CV 1 ASSI { 1334} (( segid "RN15" and resid 219 and name HN )) (( segid "RN15" and resid 220 and name HN )) 4.300 2.300 1.700 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.84547E-03 ppm1 7.476 ppm2 9.103 CV 1 ASSI { 1338} (( segid "RN15" and resid 220 and name HN )) ( segid "RN15" and resid 214 and name HD2%) 3.900 1.900 1.900 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.98553E-03 ppm1 9.122 ppm2 0.725 CV 1 ASSI { 1339} (( segid "RN15" and resid 220 and name HN )) (( segid "RN15" and resid 219 and name HA )) 2.300 0.600 0.600 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.84422E-02 ppm1 9.119 ppm2 4.932 CV 1 ASSI { 1340} (( segid "RN15" and resid 220 and name HN )) (( segid "RN15" and resid 219 and name HB1 )) 2.400 0.700 0.700 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.57405E-02 ppm1 9.121 ppm2 3.446 CV 1 ASSI { 1341} (( segid "RN15" and resid 220 and name HN )) (( segid "RN15" and resid 220 and name HB1 )) 3.000 1.100 1.100 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.71913E-02 ppm1 9.120 ppm2 1.735 CV 1 OR { 1341} (( segid "RN15" and resid 220 and name HN )) (( segid "RN15" and resid 220 and name HD2 )) OR { 1341} (( segid "RN15" and resid 220 and name HN )) (( segid "RN15" and resid 220 and name HD1 )) ASSI { 1342} (( segid "RN15" and resid 220 and name HN )) (( segid "RN15" and resid 220 and name HA )) 2.800 1.000 1.000 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.21012E-02 ppm1 9.118 ppm2 4.739 CV 1 ASSI { 1343} (( segid "RN15" and resid 220 and name HN )) (( segid "RN15" and resid 220 and name HB2 )) 2.500 0.800 0.800 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.29266E-02 ppm1 9.120 ppm2 2.085 CV 1 ASSI { 1344} (( segid "RN15" and resid 220 and name HN )) (( segid "RN15" and resid 220 and name HE2 )) 6.000 5.000 0.000 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.72541E-04 ppm1 9.119 ppm2 3.049 CV 1 OR { 1344} (( segid "RN15" and resid 220 and name HN )) (( segid "RN15" and resid 220 and name HE1 )) ASSI { 1345} (( segid "RN15" and resid 220 and name HN )) (( segid "RN15" and resid 220 and name HG2 )) 2.700 0.900 0.900 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.49903E-02 ppm1 9.121 ppm2 1.512 CV 1 OR { 1345} (( segid "RN15" and resid 220 and name HN )) (( segid "RN15" and resid 220 and name HG1 )) ASSI { 1346} (( segid "RN15" and resid 220 and name HN )) (( segid "RN15" and resid 221 and name HN )) 4.700 2.800 1.300 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.46526E-03 ppm1 9.116 ppm2 8.876 CV 1 ASSI { 1347} (( segid "RN15" and resid 220 and name HN )) (( segid "RN15" and resid 221 and name HA )) 6.000 6.000 0.000 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.16759E-04 ppm1 9.121 ppm2 3.615 CV 1 ASSI { 1348} (( segid "RN15" and resid 220 and name HN )) (( segid "RN15" and resid 222 and name HN )) 4.200 2.300 1.800 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.86798E-03 ppm1 9.122 ppm2 8.402 CV 1 ASSI { 1350} (( segid "RN15" and resid 220 and name HN )) (( segid "RN15" and resid 223 and name HB1 )) 4.200 2.200 1.800 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.15133E-02 ppm1 9.117 ppm2 2.818 CV 1 ASSI { 1351} (( segid "RN15" and resid 220 and name HN )) ( segid "RN14" and resid 661 and name HE% ) 5.300 3.500 0.700 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.69537E-03 ppm1 9.119 ppm2 7.142 CV 1 ASSI { 1353} (( segid "RN15" and resid 221 and name HN )) (( segid "RN15" and resid 220 and name HG1 )) 4.200 2.200 1.800 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.14758E-02 ppm1 8.873 ppm2 1.523 CV 1 OR { 1353} (( segid "RN15" and resid 221 and name HN )) (( segid "RN15" and resid 220 and name HG2 )) ASSI { 1356} (( segid "RN15" and resid 221 and name HN )) ( segid "RN15" and resid 214 and name HD2%) 2.600 0.900 0.900 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.26890E-02 ppm1 8.876 ppm2 0.709 CV 1 ASSI { 1357} (( segid "RN15" and resid 221 and name HN )) (( segid "RN15" and resid 221 and name HA )) 2.400 0.700 0.700 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.37896E-02 ppm1 8.874 ppm2 3.631 CV 1 ASSI { 1358} (( segid "RN15" and resid 221 and name HN )) (( segid "RN15" and resid 221 and name HB )) 2.200 0.600 0.600 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.85421E-02 ppm1 8.873 ppm2 2.089 CV 1 ASSI { 1359} (( segid "RN15" and resid 221 and name HN )) ( segid "RN15" and resid 221 and name HG1%) 4.800 2.900 1.200 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.94303E-03 ppm1 8.872 ppm2 0.997 CV 1 ASSI { 1360} (( segid "RN15" and resid 221 and name HN )) ( segid "RN15" and resid 221 and name HG2%) 2.300 0.600 0.600 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.55405E-02 ppm1 8.874 ppm2 1.064 CV 1 ASSI { 1369} (( segid "RN15" and resid 222 and name HN )) ( segid "RN15" and resid 214 and name HD2%) 5.700 4.000 0.300 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.21512E-03 ppm1 8.404 ppm2 0.732 CV 1 ASSI { 1372} (( segid "RN15" and resid 222 and name HN )) (( segid "RN15" and resid 221 and name HN )) 2.600 0.800 0.800 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.33143E-02 ppm1 8.403 ppm2 8.871 CV 1 ASSI { 1373} (( segid "RN15" and resid 222 and name HN )) ( segid "RN15" and resid 221 and name HG1%) 3.100 1.200 1.200 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.53780E-02 ppm1 8.404 ppm2 1.012 CV 1 ASSI { 1374} (( segid "RN15" and resid 222 and name HN )) ( segid "RN15" and resid 221 and name HG2%) 5.700 4.000 0.300 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.27766E-03 ppm1 8.405 ppm2 1.099 CV 1 ASSI { 1375} (( segid "RN15" and resid 222 and name HN )) (( segid "RN15" and resid 222 and name HA )) 2.700 0.900 0.900 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.35770E-02 ppm1 8.407 ppm2 4.312 CV 1 ASSI { 1376} (( segid "RN15" and resid 222 and name HN )) (( segid "RN15" and resid 222 and name HB2 )) 2.700 0.900 0.900 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.34394E-02 ppm1 8.406 ppm2 2.674 CV 1 ASSI { 1377} (( segid "RN15" and resid 222 and name HN )) (( segid "RN15" and resid 223 and name HN )) 2.700 0.900 0.900 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.33143E-02 ppm1 8.406 ppm2 7.586 CV 1 ASSI { 1384} (( segid "RN15" and resid 223 and name HN )) (( segid "RN15" and resid 220 and name HB2 )) 3.000 1.100 1.100 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.14883E-02 ppm1 7.579 ppm2 2.086 CV 1 ASSI { 1385} (( segid "RN15" and resid 223 and name HN )) (( segid "RN15" and resid 220 and name HN )) 3.600 1.600 1.600 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.11219E-02 ppm1 7.581 ppm2 9.111 CV 1 ASSI { 1387} (( segid "RN15" and resid 223 and name HN )) (( segid "RN15" and resid 222 and name HA )) 4.600 2.600 1.400 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.22137E-03 ppm1 7.586 ppm2 4.284 CV 1 ASSI { 1388} (( segid "RN15" and resid 223 and name HN )) (( segid "RN15" and resid 222 and name HB1 )) 3.100 1.200 1.200 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.21387E-02 ppm1 7.578 ppm2 2.410 CV 1 ASSI { 1389} (( segid "RN15" and resid 223 and name HN )) (( segid "RN15" and resid 223 and name HA )) 2.700 0.900 0.900 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.40898E-02 ppm1 7.580 ppm2 4.404 CV 1 ASSI { 1390} (( segid "RN15" and resid 223 and name HN )) (( segid "RN15" and resid 223 and name HB1 )) 3.500 1.600 1.600 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.28515E-02 ppm1 7.580 ppm2 2.770 CV 1 ASSI { 1391} (( segid "RN15" and resid 223 and name HN )) (( segid "RN15" and resid 223 and name HB2 )) 2.200 0.600 0.600 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.59158E-02 ppm1 7.578 ppm2 2.891 CV 1 ASSI { 1392} (( segid "RN15" and resid 223 and name HN )) (( segid "RN15" and resid 224 and name HN )) 2.300 0.600 0.600 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.79292E-02 ppm1 7.579 ppm2 7.250 CV 1 ASSI { 1398} (( segid "RN15" and resid 224 and name HN )) (( segid "RN15" and resid 219 and name HB1 )) 5.300 3.500 0.700 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.21887E-03 ppm1 7.250 ppm2 3.421 CV 1 ASSI { 1399} (( segid "RN15" and resid 224 and name HN )) (( segid "RN15" and resid 222 and name HN )) 3.600 1.600 1.600 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.11081E-02 ppm1 7.242 ppm2 8.412 CV 1 ASSI { 1400} (( segid "RN15" and resid 224 and name HN )) (( segid "RN15" and resid 222 and name HA )) 3.900 1.900 1.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.49152E-03 ppm1 7.247 ppm2 4.328 CV 1 ASSI { 1402} (( segid "RN15" and resid 224 and name HN )) (( segid "RN15" and resid 223 and name HA )) 3.600 1.600 1.600 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.84673E-03 ppm1 7.240 ppm2 4.405 CV 1 ASSI { 1403} (( segid "RN15" and resid 224 and name HN )) (( segid "RN15" and resid 223 and name HB2 )) 3.000 1.100 1.100 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.16884E-02 ppm1 7.239 ppm2 2.900 CV 1 ASSI { 1404} (( segid "RN15" and resid 224 and name HN )) (( segid "RN15" and resid 224 and name HA )) 2.600 0.800 0.800 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.30392E-02 ppm1 7.242 ppm2 4.006 CV 1 ASSI { 1405} (( segid "RN15" and resid 224 and name HN )) (( segid "RN15" and resid 224 and name HB1 )) 3.100 1.200 1.200 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.52779E-02 ppm1 7.243 ppm2 1.836 CV 1 ASSI { 1406} (( segid "RN15" and resid 224 and name HN )) ( segid "RN15" and resid 224 and name HD1%) 4.000 2.000 2.000 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.18260E-02 ppm1 7.244 ppm2 0.778 CV 1 ASSI { 1407} (( segid "RN15" and resid 224 and name HN )) ( segid "RN15" and resid 224 and name HD2%) 3.500 1.600 1.600 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.22262E-02 ppm1 7.244 ppm2 0.439 CV 1 ASSI { 1408} (( segid "RN15" and resid 224 and name HN )) (( segid "RN15" and resid 224 and name HG )) 2.300 0.700 0.700 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.50903E-02 ppm1 7.242 ppm2 1.568 CV 1 ASSI { 1409} (( segid "RN15" and resid 224 and name HN )) (( segid "RN15" and resid 225 and name HB )) 4.900 3.100 1.100 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.86798E-03 ppm1 7.245 ppm2 2.021 CV 1 ASSI { 1410} (( segid "RN15" and resid 224 and name HN )) (( segid "RN15" and resid 225 and name HG11)) 3.800 1.800 1.800 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.73666E-03 ppm1 7.240 ppm2 1.732 CV 1 ASSI { 1411} (( segid "RN15" and resid 224 and name HN )) ( segid "RN15" and resid 225 and name HG2%) 5.500 3.700 0.500 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.60535E-03 ppm1 7.239 ppm2 0.911 CV 1 ASSI { 1415} (( segid "RN15" and resid 225 and name HN )) (( segid "RN15" and resid 222 and name HA )) 4.700 2.700 1.300 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.51778E-03 ppm1 7.304 ppm2 4.317 CV 1 ASSI { 1416} (( segid "RN15" and resid 225 and name HN )) (( segid "RN15" and resid 223 and name HN )) 5.400 3.700 0.600 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.25764E-03 ppm1 7.320 ppm2 7.598 CV 1 ASSI { 1417} (( segid "RN15" and resid 225 and name HN )) (( segid "RN15" and resid 224 and name HN )) 2.700 0.900 0.900 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.23013E-02 ppm1 7.300 ppm2 7.233 CV 1 ASSI { 1418} (( segid "RN15" and resid 225 and name HN )) (( segid "RN15" and resid 224 and name HA )) 3.900 1.900 1.900 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.48151E-03 ppm1 7.303 ppm2 4.000 CV 1 ASSI { 1419} (( segid "RN15" and resid 225 and name HN )) (( segid "RN15" and resid 224 and name HB1 )) 3.500 1.500 1.500 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.10468E-02 ppm1 7.308 ppm2 1.855 CV 1 ASSI { 1420} (( segid "RN15" and resid 225 and name HN )) (( segid "RN15" and resid 224 and name HB2 )) 3.000 1.100 1.100 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.37020E-03 ppm1 7.306 ppm2 1.392 CV 1 ASSI { 1421} (( segid "RN15" and resid 225 and name HN )) (( segid "RN15" and resid 225 and name HA )) 2.500 0.800 0.800 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.32768E-02 ppm1 7.304 ppm2 3.897 CV 1 ASSI { 1422} (( segid "RN15" and resid 225 and name HN )) (( segid "RN15" and resid 225 and name HB )) 3.000 1.100 1.100 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.58033E-02 ppm1 7.304 ppm2 2.004 CV 1 ASSI { 1424} (( segid "RN15" and resid 225 and name HN )) (( segid "RN15" and resid 225 and name HG11)) 2.300 0.600 0.600 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.51653E-02 ppm1 7.305 ppm2 1.731 CV 1 ASSI { 1425} (( segid "RN15" and resid 225 and name HN )) (( segid "RN15" and resid 225 and name HG12)) 2.000 0.500 0.500 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.41148E-02 ppm1 7.306 ppm2 1.215 CV 1 ASSI { 1426} (( segid "RN15" and resid 225 and name HN )) (( segid "RN15" and resid 226 and name HB1 )) 6.000 6.000 0.000 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.94675E-04 ppm1 7.319 ppm2 2.435 CV 1 ASSI { 1427} (( segid "RN15" and resid 225 and name HN )) (( segid "RN15" and resid 226 and name HD1 )) 3.200 1.300 1.300 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.35394E-02 ppm1 7.306 ppm2 3.659 CV 1 ASSI { 1428} (( segid "RN15" and resid 225 and name HN )) (( segid "RN15" and resid 226 and name HD2 )) 2.700 0.900 0.900 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.33519E-02 ppm1 7.300 ppm2 3.377 CV 1 ASSI { 1429} (( segid "RN15" and resid 225 and name HN )) ( segid "RN15" and resid 227 and name HD1%) 5.000 3.100 1.000 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.37020E-03 ppm1 7.305 ppm2 0.396 CV 1 ASSI { 1431} (( segid "RN15" and resid 227 and name HN )) (( segid "RN15" and resid 226 and name HA )) 3.800 1.800 1.800 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.78042E-03 ppm1 7.443 ppm2 4.513 CV 1 ASSI { 1432} (( segid "RN15" and resid 227 and name HN )) (( segid "RN15" and resid 226 and name HB1 )) 6.000 4.500 0.000 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.438 ppm2 2.407 CV 1 ASSI { 1433} (( segid "RN15" and resid 227 and name HN )) (( segid "RN15" and resid 226 and name HD1 )) 5.400 3.600 0.600 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.11869E-03 ppm1 7.428 ppm2 3.665 CV 1 ASSI { 1434} (( segid "RN15" and resid 227 and name HN )) (( segid "RN15" and resid 226 and name HD2 )) 2.800 1.000 1.000 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.15884E-02 ppm1 7.434 ppm2 3.382 CV 1 ASSI { 1435} (( segid "RN15" and resid 227 and name HN )) (( segid "RN15" and resid 227 and name HA )) 2.800 1.000 1.000 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.17635E-02 ppm1 7.435 ppm2 4.137 CV 1 ASSI { 1436} (( segid "RN15" and resid 227 and name HN )) (( segid "RN15" and resid 227 and name HB1 )) 2.800 1.000 1.000 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.62534E-02 ppm1 7.432 ppm2 1.458 CV 1 ASSI { 1437} (( segid "RN15" and resid 227 and name HN )) (( segid "RN15" and resid 227 and name HB2 )) 2.300 0.700 0.700 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.34644E-02 ppm1 7.433 ppm2 1.835 CV 1 ASSI { 1438} (( segid "RN15" and resid 227 and name HN )) ( segid "RN15" and resid 227 and name HD1%) 3.900 1.900 1.900 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.17635E-02 ppm1 7.431 ppm2 0.395 CV 1 ASSI { 1439} (( segid "RN15" and resid 227 and name HN )) ( segid "RN15" and resid 227 and name HD2%) 3.400 1.500 1.500 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.10331E-02 ppm1 7.436 ppm2 0.569 CV 1 ASSI { 1440} (( segid "RN15" and resid 227 and name HN )) (( segid "RN15" and resid 228 and name HN )) 2.500 0.800 0.800 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.34269E-02 ppm1 7.433 ppm2 7.279 CV 1 ASSI { 1441} (( segid "RN15" and resid 227 and name HN )) ( segid "RN14" and resid 653 and name HD2%) 4.600 2.600 1.400 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.38271E-03 ppm1 7.440 ppm2 0.723 CV 1 ASSI { 1443} (( segid "RN15" and resid 228 and name HN )) (( segid "RN15" and resid 226 and name HA )) 3.300 1.300 1.300 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.14508E-02 ppm1 7.276 ppm2 4.521 CV 1 ASSI { 1445} (( segid "RN15" and resid 228 and name HN )) (( segid "RN15" and resid 227 and name HA )) 3.900 1.900 1.900 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.54405E-03 ppm1 7.266 ppm2 4.151 CV 1 ASSI { 1446} (( segid "RN15" and resid 228 and name HN )) (( segid "RN15" and resid 228 and name HA )) 3.200 1.300 1.300 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.11006E-02 ppm1 7.270 ppm2 4.359 CV 1 ASSI { 1447} (( segid "RN15" and resid 228 and name HN )) ( segid "RN15" and resid 228 and name HB% ) 2.200 0.600 0.600 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.84799E-02 ppm1 7.271 ppm2 1.475 CV 1 ASSI { 1448} (( segid "RN15" and resid 228 and name HN )) ( segid "RN14" and resid 653 and name HD2%) 3.400 1.500 1.500 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.10943E-02 ppm1 7.266 ppm2 0.695 CV 1 OR { 1448} (( segid "RN15" and resid 228 and name HN )) ( segid "RN14" and resid 653 and name HD1%) ASSI { 1450} (( segid "RN15" and resid 229 and name HN )) (( segid "RN15" and resid 225 and name HA )) 6.000 6.000 0.000 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.14008E-03 ppm1 8.223 ppm2 3.900 CV 1 ASSI { 1454} (( segid "RN15" and resid 229 and name HN )) (( segid "RN15" and resid 228 and name HN )) 5.100 3.200 0.900 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.79669E-03 ppm1 8.226 ppm2 7.267 CV 1 ASSI { 1456} (( segid "RN15" and resid 229 and name HN )) (( segid "RN15" and resid 229 and name HB2 )) 2.400 0.700 0.700 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.75168E-02 ppm1 8.226 ppm2 3.758 CV 1 OR { 1456} (( segid "RN15" and resid 229 and name HN )) (( segid "RN15" and resid 229 and name HB1 )) ASSI { 1457} (( segid "RN15" and resid 229 and name HN )) (( segid "RN15" and resid 230 and name HN )) 4.200 2.200 1.800 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.42648E-03 ppm1 8.228 ppm2 8.444 CV 1 ASSI { 1459} (( segid "RN15" and resid 229 and name HN )) ( segid "RN14" and resid 653 and name HD2%) 5.500 3.800 0.500 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.13507E-02 ppm1 8.225 ppm2 0.704 CV 1 ASSI { 1460} (( segid "RN15" and resid 229 and name HN )) (( segid "RN14" and resid 654 and name HN )) 4.800 2.800 1.200 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.14258E-02 ppm1 8.228 ppm2 8.751 CV 1 ASSI { 1461} (( segid "RN15" and resid 230 and name HN )) ( segid "RN15" and resid 228 and name HB% ) 3.800 1.800 1.800 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.15884E-02 ppm1 8.438 ppm2 1.475 CV 1 ASSI { 1463} (( segid "RN15" and resid 230 and name HN )) (( segid "RN15" and resid 229 and name HA )) 2.500 0.800 0.800 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.62157E-02 ppm1 8.440 ppm2 4.394 CV 1 ASSI { 1465} (( segid "RN15" and resid 230 and name HN )) (( segid "RN15" and resid 230 and name HB1 )) 3.900 1.900 1.900 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.16384E-02 ppm1 8.440 ppm2 1.893 CV 1 ASSI { 1466} (( segid "RN15" and resid 230 and name HN )) (( segid "RN15" and resid 230 and name HB2 )) 3.000 1.100 1.100 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.31142E-02 ppm1 8.442 ppm2 1.747 CV 1 ASSI { 1467} (( segid "RN15" and resid 230 and name HN )) (( segid "RN15" and resid 230 and name HD1 )) 5.900 4.400 0.100 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.15383E-03 ppm1 8.445 ppm2 3.218 CV 1 OR { 1467} (( segid "RN15" and resid 230 and name HN )) (( segid "RN15" and resid 230 and name HD2 )) ASSI { 1468} (( segid "RN15" and resid 230 and name HN )) (( segid "RN15" and resid 230 and name HG2 )) 4.100 2.100 1.900 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.56656E-03 ppm1 8.441 ppm2 1.672 CV 1 OR { 1468} (( segid "RN15" and resid 230 and name HN )) (( segid "RN15" and resid 230 and name HG1 )) ASSI { 1469} (( segid "RN15" and resid 230 and name HN )) (( segid "RN15" and resid 232 and name HG2 )) 4.200 2.200 1.800 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.56656E-03 ppm1 8.434 ppm2 2.378 CV 1 OR { 1469} (( segid "RN15" and resid 230 and name HN )) (( segid "RN15" and resid 232 and name HG1 )) ASSI { 1470} (( segid "RN15" and resid 232 and name HN )) (( segid "RN15" and resid 231 and name HA )) 2.000 0.500 0.500 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.14508E-01 ppm1 8.024 ppm2 4.457 CV 1 ASSI { 1471} (( segid "RN15" and resid 232 and name HN )) (( segid "RN15" and resid 231 and name HB1 )) 4.100 2.100 1.900 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.17885E-02 ppm1 8.024 ppm2 2.331 CV 1 ASSI { 1472} (( segid "RN15" and resid 232 and name HN )) (( segid "RN15" and resid 231 and name HB2 )) 3.400 1.500 1.500 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.47401E-02 ppm1 8.024 ppm2 1.964 CV 1 ASSI { 1473} (( segid "RN15" and resid 232 and name HN )) (( segid "RN15" and resid 231 and name HD1 )) 4.000 2.000 2.000 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.12632E-03 ppm1 8.032 ppm2 3.677 CV 1 ASSI { 1474} (( segid "RN15" and resid 232 and name HN )) (( segid "RN15" and resid 231 and name HD2 )) 4.400 2.400 1.600 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.79795E-04 ppm1 8.029 ppm2 3.845 CV 1 ASSI { 1475} (( segid "RN15" and resid 232 and name HN )) (( segid "RN15" and resid 232 and name HA )) 3.500 1.500 1.500 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.10556E-02 ppm1 8.022 ppm2 4.149 CV 1 ASSI { 1476} (( segid "RN15" and resid 232 and name HN )) (( segid "RN15" and resid 232 and name HB2 )) 3.400 1.500 1.500 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.11231E-02 ppm1 8.026 ppm2 2.129 CV 1 OR { 1476} (( segid "RN15" and resid 232 and name HN )) (( segid "RN15" and resid 232 and name HB1 )) ASSI { 1477} (( segid "RN14" and resid 626 and name HN )) (( segid "RN14" and resid 626 and name HA )) 3.600 1.600 1.600 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.83674E-03 ppm1 8.202 ppm2 4.313 CV 1 ASSI { 1478} (( segid "RN14" and resid 626 and name HN )) (( segid "RN14" and resid 626 and name HB1 )) 3.600 1.600 1.600 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.10894E-02 ppm1 8.202 ppm2 1.801 CV 1 OR { 1478} (( segid "RN14" and resid 626 and name HN )) (( segid "RN14" and resid 626 and name HB2 )) ASSI { 1479} (( segid "RN14" and resid 626 and name HN )) (( segid "RN14" and resid 626 and name HD1 )) 4.000 2.000 2.000 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.16884E-02 ppm1 8.201 ppm2 1.711 CV 1 OR { 1479} (( segid "RN14" and resid 626 and name HN )) (( segid "RN14" and resid 626 and name HD2 )) ASSI { 1480} (( segid "RN14" and resid 626 and name HN )) (( segid "RN14" and resid 626 and name HG1 )) 4.100 2.100 1.900 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.71290E-03 ppm1 8.203 ppm2 1.400 CV 1 OR { 1480} (( segid "RN14" and resid 626 and name HN )) (( segid "RN14" and resid 626 and name HG2 )) ASSI { 1481} (( segid "RN14" and resid 627 and name HN )) (( segid "RN14" and resid 626 and name HG2 )) 5.300 3.500 0.700 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.27640E-03 ppm1 8.402 ppm2 1.388 CV 1 OR { 1481} (( segid "RN14" and resid 627 and name HN )) (( segid "RN14" and resid 626 and name HG1 )) ASSI { 1482} (( segid "RN14" and resid 627 and name HN )) (( segid "RN14" and resid 627 and name HA )) 2.800 1.000 1.000 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.34644E-02 ppm1 8.406 ppm2 4.311 CV 1 ASSI { 1483} (( segid "RN14" and resid 627 and name HN )) (( segid "RN14" and resid 627 and name HB1 )) 3.500 1.500 1.500 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.10818E-02 ppm1 8.402 ppm2 1.884 CV 1 ASSI { 1484} (( segid "RN14" and resid 627 and name HN )) (( segid "RN14" and resid 627 and name HB2 )) 4.100 2.100 1.900 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.11456E-02 ppm1 8.400 ppm2 1.784 CV 1 ASSI { 1485} (( segid "RN14" and resid 627 and name HN )) (( segid "RN14" and resid 627 and name HG2 )) 3.900 1.900 1.900 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.49277E-03 ppm1 8.402 ppm2 1.665 CV 1 OR { 1485} (( segid "RN14" and resid 627 and name HN )) (( segid "RN14" and resid 627 and name HG1 )) ASSI { 1486} (( segid "RN14" and resid 628 and name HN )) (( segid "RN14" and resid 627 and name HA )) 2.900 1.100 1.100 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.23638E-02 ppm1 8.498 ppm2 4.345 CV 1 ASSI { 1487} (( segid "RN14" and resid 628 and name HN )) (( segid "RN14" and resid 627 and name HB1 )) 5.500 3.800 0.500 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.40773E-03 ppm1 8.503 ppm2 1.868 CV 1 ASSI { 1488} (( segid "RN14" and resid 628 and name HN )) (( segid "RN14" and resid 628 and name HB2 )) 3.800 1.800 1.800 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.84170E-03 ppm1 8.496 ppm2 2.743 CV 1 OR { 1488} (( segid "RN14" and resid 628 and name HN )) (( segid "RN14" and resid 628 and name HB1 )) ASSI { 1489} (( segid "RN14" and resid 629 and name HN )) (( segid "RN14" and resid 627 and name HG1 )) 3.000 3.000 3.000 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.70416E-03 ppm1 8.212 ppm2 1.665 CV 1 OR { 1489} (( segid "RN14" and resid 629 and name HN )) (( segid "RN14" and resid 627 and name HG2 )) ASSI { 1490} (( segid "RN14" and resid 629 and name HN )) (( segid "RN14" and resid 628 and name HB1 )) 3.900 1.900 1.900 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.12882E-02 ppm1 8.213 ppm2 2.755 CV 1 OR { 1490} (( segid "RN14" and resid 629 and name HN )) (( segid "RN14" and resid 628 and name HB2 )) ASSI { 1491} (( segid "RN14" and resid 629 and name HN )) (( segid "RN14" and resid 629 and name HA )) 3.200 1.300 1.300 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.18885E-02 ppm1 8.215 ppm2 4.386 CV 1 ASSI { 1492} (( segid "RN14" and resid 629 and name HN )) (( segid "RN14" and resid 629 and name HB1 )) 3.400 1.500 1.500 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.13758E-02 ppm1 8.219 ppm2 3.862 CV 1 ASSI { 1493} (( segid "RN14" and resid 629 and name HN )) (( segid "RN14" and resid 630 and name HN )) 4.200 2.200 1.800 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.28390E-03 ppm1 8.222 ppm2 8.356 CV 1 ASSI { 1494} (( segid "RN14" and resid 630 and name HN )) (( segid "RN15" and resid 187 and name HE1 )) 5.300 3.500 0.700 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.15383E-03 ppm1 8.378 ppm2 9.800 CV 1 ASSI { 1495} (( segid "RN14" and resid 630 and name HN )) (( segid "RN14" and resid 629 and name HB1 )) 4.700 2.700 1.300 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.33268E-03 ppm1 8.371 ppm2 3.845 CV 1 ASSI { 1496} (( segid "RN14" and resid 630 and name HN )) (( segid "RN14" and resid 629 and name HB2 )) 3.900 1.900 1.900 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.82548E-03 ppm1 8.372 ppm2 3.923 CV 1 ASSI { 1497} (( segid "RN14" and resid 630 and name HN )) (( segid "RN14" and resid 630 and name HA )) 2.900 1.100 1.100 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.24138E-02 ppm1 8.370 ppm2 4.333 CV 1 ASSI { 1498} (( segid "RN14" and resid 630 and name HN )) (( segid "RN14" and resid 630 and name HB1 )) 3.400 1.400 1.400 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.36645E-02 ppm1 8.369 ppm2 2.069 CV 1 ASSI { 1499} (( segid "RN14" and resid 630 and name HN )) (( segid "RN14" and resid 630 and name HB2 )) 3.200 1.300 1.300 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.21387E-02 ppm1 8.369 ppm2 2.180 CV 1 ASSI { 1500} (( segid "RN14" and resid 630 and name HN )) (( segid "RN14" and resid 630 and name HG1 )) 3.300 1.300 1.300 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.34769E-02 ppm1 8.370 ppm2 2.322 CV 1 OR { 1500} (( segid "RN14" and resid 630 and name HN )) (( segid "RN14" and resid 630 and name HG2 )) ASSI { 1503} (( segid "RN14" and resid 631 and name HN )) (( segid "RN14" and resid 630 and name HA )) 2.800 1.000 1.000 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.43899E-02 ppm1 8.370 ppm2 4.298 CV 1 ASSI { 1504} (( segid "RN14" and resid 631 and name HN )) (( segid "RN14" and resid 630 and name HB1 )) 3.500 1.500 1.500 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.88923E-03 ppm1 8.374 ppm2 2.060 CV 1 ASSI { 1505} (( segid "RN14" and resid 631 and name HN )) (( segid "RN14" and resid 630 and name HB2 )) 3.100 1.200 1.200 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.21637E-02 ppm1 8.374 ppm2 2.158 CV 1 ASSI { 1506} (( segid "RN14" and resid 631 and name HN )) (( segid "RN14" and resid 630 and name HG1 )) 4.000 2.000 2.000 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.21012E-02 ppm1 8.373 ppm2 2.325 CV 1 OR { 1506} (( segid "RN14" and resid 631 and name HN )) (( segid "RN14" and resid 630 and name HG2 )) ASSI { 1507} (( segid "RN14" and resid 631 and name HN )) (( segid "RN14" and resid 631 and name HA )) 2.600 0.900 0.900 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.28891E-02 ppm1 8.372 ppm2 3.358 CV 1 ASSI { 1508} (( segid "RN14" and resid 631 and name HN )) (( segid "RN14" and resid 631 and name HB1 )) 3.000 1.100 1.100 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.63162E-02 ppm1 8.372 ppm2 1.231 CV 1 ASSI { 1509} (( segid "RN14" and resid 631 and name HN )) (( segid "RN14" and resid 631 and name HB2 )) 2.400 0.700 0.700 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.35895E-02 ppm1 8.373 ppm2 0.941 CV 1 ASSI { 1510} (( segid "RN14" and resid 631 and name HN )) ( segid "RN14" and resid 631 and name HD1%) 4.300 2.300 1.700 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.11631E-02 ppm1 8.376 ppm2 0.179 CV 1 ASSI { 1511} (( segid "RN14" and resid 631 and name HN )) ( segid "RN14" and resid 631 and name HD2%) 4.600 2.700 1.400 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.66663E-03 ppm1 8.374 ppm2 -0.056 CV 1 ASSI { 1512} (( segid "RN14" and resid 631 and name HN )) (( segid "RN14" and resid 631 and name HG )) 2.700 0.900 0.900 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.35144E-02 ppm1 8.370 ppm2 1.119 CV 1 ASSI { 1513} (( segid "RN14" and resid 631 and name HN )) (( segid "RN14" and resid 632 and name HD1 )) 4.400 2.500 1.600 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.77545E-03 ppm1 8.373 ppm2 3.511 CV 1 ASSI { 1514} (( segid "RN14" and resid 631 and name HN )) (( segid "RN14" and resid 632 and name HD2 )) 4.700 2.800 1.300 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.62911E-03 ppm1 8.374 ppm2 2.785 CV 1 ASSI { 1516} (( segid "RN14" and resid 633 and name HN )) (( segid "RN14" and resid 632 and name HA )) 2.300 0.600 0.600 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.86421E-02 ppm1 8.763 ppm2 4.523 CV 1 ASSI { 1517} (( segid "RN14" and resid 633 and name HN )) (( segid "RN14" and resid 632 and name HB1 )) 4.100 2.100 1.900 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.99930E-03 ppm1 8.764 ppm2 2.602 CV 1 ASSI { 1518} (( segid "RN14" and resid 633 and name HN )) (( segid "RN14" and resid 632 and name HB2 )) 2.400 0.700 0.700 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.97930E-02 ppm1 8.762 ppm2 1.835 CV 1 ASSI { 1519} (( segid "RN14" and resid 633 and name HN )) (( segid "RN14" and resid 632 and name HG1 )) 4.900 3.000 1.100 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.96302E-03 ppm1 8.765 ppm2 2.139 CV 1 ASSI { 1520} (( segid "RN14" and resid 633 and name HN )) (( segid "RN14" and resid 633 and name HA )) 2.800 1.000 1.000 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.22888E-02 ppm1 8.763 ppm2 3.716 CV 1 ASSI { 1521} (( segid "RN14" and resid 633 and name HN )) (( segid "RN14" and resid 633 and name HB )) 3.500 1.500 1.500 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.22137E-02 ppm1 8.763 ppm2 4.089 CV 1 ASSI { 1522} (( segid "RN14" and resid 633 and name HN )) ( segid "RN14" and resid 633 and name HG2%) 3.800 1.800 1.800 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.58907E-03 ppm1 8.767 ppm2 1.293 CV 1 ASSI { 1523} (( segid "RN14" and resid 633 and name HN )) (( segid "RN14" and resid 634 and name HN )) 3.100 1.200 1.200 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.14383E-02 ppm1 8.768 ppm2 10.199 CV 1 ASSI { 1524} (( segid "RN14" and resid 633 and name HN )) (( segid "RN14" and resid 635 and name HN )) 4.600 2.600 1.400 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.39021E-03 ppm1 8.762 ppm2 7.427 CV 1 ASSI { 1525} (( segid "RN14" and resid 633 and name HN )) (( segid "RN14" and resid 635 and name HB )) 4.500 2.500 1.500 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.60158E-03 ppm1 8.760 ppm2 1.993 CV 1 ASSI { 1526} (( segid "RN14" and resid 633 and name HN )) ( segid "RN14" and resid 636 and name HD1%) 5.500 3.800 0.500 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.27140E-03 ppm1 8.766 ppm2 0.876 CV 1 ASSI { 1530} (( segid "RN14" and resid 634 and name HN )) (( segid "RN14" and resid 632 and name HA )) 5.500 3.800 0.500 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.24764E-03 ppm1 10.190 ppm2 4.522 CV 1 ASSI { 1532} (( segid "RN14" and resid 634 and name HN )) (( segid "RN14" and resid 633 and name HA )) 4.100 2.100 1.900 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.39021E-03 ppm1 10.199 ppm2 3.723 CV 1 ASSI { 1533} (( segid "RN14" and resid 634 and name HN )) ( segid "RN14" and resid 633 and name HG2%) 4.600 2.600 1.400 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.56906E-03 ppm1 10.197 ppm2 1.290 CV 1 ASSI { 1534} (( segid "RN14" and resid 634 and name HN )) (( segid "RN14" and resid 634 and name HA )) 2.900 1.000 1.000 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.31393E-02 ppm1 10.192 ppm2 4.079 CV 1 ASSI { 1535} (( segid "RN14" and resid 634 and name HN )) (( segid "RN14" and resid 634 and name HG2 )) 3.800 1.800 1.800 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.17385E-02 ppm1 10.194 ppm2 2.438 CV 1 OR { 1535} (( segid "RN14" and resid 634 and name HN )) (( segid "RN14" and resid 634 and name HG1 )) ASSI { 1536} (( segid "RN14" and resid 634 and name HN )) (( segid "RN14" and resid 635 and name HN )) 2.700 0.900 0.900 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.27140E-02 ppm1 10.193 ppm2 7.419 CV 1 ASSI { 1537} (( segid "RN14" and resid 634 and name HN )) ( segid "RN14" and resid 635 and name HG2%) 5.800 4.300 0.200 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.22637E-03 ppm1 10.195 ppm2 0.644 CV 1 OR { 1537} (( segid "RN14" and resid 634 and name HN )) ( segid "RN14" and resid 635 and name HG1%) ASSI { 1538} (( segid "RN14" and resid 634 and name HN )) (( segid "RN14" and resid 637 and name HB2 )) 4.200 2.200 1.800 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.94926E-03 ppm1 10.194 ppm2 2.587 CV 1 OR { 1538} (( segid "RN14" and resid 634 and name HN )) (( segid "RN14" and resid 637 and name HB1 )) ASSI { 1545} (( segid "RN14" and resid 635 and name HN )) ( segid "RN15" and resid 180 and name HE% ) 6.000 4.700 0.000 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.14883E-03 ppm1 7.407 ppm2 6.835 CV 1 ASSI { 1546} (( segid "RN14" and resid 635 and name HN )) (( segid "RN14" and resid 632 and name HB2 )) 2.700 0.900 0.900 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.24138E-02 ppm1 7.411 ppm2 1.837 CV 1 ASSI { 1547} (( segid "RN14" and resid 635 and name HN )) (( segid "RN14" and resid 632 and name HD2 )) 4.900 3.000 1.100 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.39897E-03 ppm1 7.417 ppm2 2.790 CV 1 ASSI { 1548} (( segid "RN14" and resid 635 and name HN )) ( segid "RN14" and resid 633 and name HG2%) 5.900 4.300 0.100 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.18135E-03 ppm1 7.418 ppm2 1.307 CV 1 ASSI { 1550} (( segid "RN14" and resid 635 and name HN )) (( segid "RN14" and resid 634 and name HA )) 5.200 3.400 0.800 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.10656E-03 ppm1 7.406 ppm2 4.076 CV 1 ASSI { 1551} (( segid "RN14" and resid 635 and name HN )) (( segid "RN14" and resid 634 and name HG2 )) 3.700 1.800 1.800 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.11756E-02 ppm1 7.411 ppm2 2.464 CV 1 OR { 1551} (( segid "RN14" and resid 635 and name HN )) (( segid "RN14" and resid 634 and name HG1 )) ASSI { 1552} (( segid "RN14" and resid 635 and name HN )) (( segid "RN14" and resid 635 and name HA )) 2.600 0.900 0.900 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.18885E-02 ppm1 7.408 ppm2 3.692 CV 1 ASSI { 1553} (( segid "RN14" and resid 635 and name HN )) (( segid "RN14" and resid 635 and name HB )) 2.300 0.600 0.600 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.50528E-02 ppm1 7.410 ppm2 2.000 CV 1 ASSI { 1554} (( segid "RN14" and resid 635 and name HN )) ( segid "RN14" and resid 635 and name HG2%) 2.300 0.600 0.600 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.58158E-02 ppm1 7.411 ppm2 0.619 CV 1 OR { 1554} (( segid "RN14" and resid 635 and name HN )) ( segid "RN14" and resid 635 and name HG1%) ASSI { 1555} (( segid "RN14" and resid 635 and name HN )) (( segid "RN14" and resid 636 and name HN )) 2.400 0.700 0.700 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.38896E-02 ppm1 7.412 ppm2 7.010 CV 1 ASSI { 1556} (( segid "RN14" and resid 635 and name HN )) (( segid "RN14" and resid 637 and name HN )) 5.200 3.400 0.800 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.11206E-03 ppm1 7.413 ppm2 8.609 CV 1 ASSI { 1562} (( segid "RN14" and resid 636 and name HN )) (( segid "RN14" and resid 632 and name HG2 )) 4.000 2.000 2.000 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.65413E-03 ppm1 7.018 ppm2 1.819 CV 1 OR { 1562} (( segid "RN14" and resid 636 and name HN )) (( segid "RN14" and resid 632 and name HB2 )) ASSI { 1565} (( segid "RN14" and resid 636 and name HN )) ( segid "RN14" and resid 631 and name HD2%) 5.600 3.900 0.400 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.21512E-03 ppm1 7.004 ppm2 -0.064 CV 1 ASSI { 1566} (( segid "RN14" and resid 636 and name HN )) ( segid "RN14" and resid 633 and name HG2%) 6.000 4.800 0.000 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.20887E-03 ppm1 7.008 ppm2 1.310 CV 1 ASSI { 1568} (( segid "RN14" and resid 636 and name HN )) (( segid "RN14" and resid 636 and name HB1 )) 3.900 1.900 1.900 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.13257E-02 ppm1 7.013 ppm2 1.904 CV 1 ASSI { 1569} (( segid "RN14" and resid 636 and name HN )) ( segid "RN14" and resid 636 and name HD1%) 4.700 2.800 1.300 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.10994E-02 ppm1 7.017 ppm2 0.877 CV 1 ASSI { 1570} (( segid "RN14" and resid 636 and name HN )) (( segid "RN14" and resid 636 and name HG )) 1.900 0.400 0.400 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.85673E-02 ppm1 7.011 ppm2 1.489 CV 1 ASSI { 1571} (( segid "RN14" and resid 636 and name HN )) (( segid "RN14" and resid 637 and name HN )) 3.000 1.100 1.100 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.20762E-02 ppm1 7.011 ppm2 8.614 CV 1 ASSI { 1572} (( segid "RN14" and resid 636 and name HN )) (( segid "RN14" and resid 637 and name HB2 )) 5.800 4.200 0.200 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.20261E-03 ppm1 7.018 ppm2 2.579 CV 1 OR { 1572} (( segid "RN14" and resid 636 and name HN )) (( segid "RN14" and resid 637 and name HB1 )) ASSI { 1575} (( segid "RN14" and resid 637 and name HN )) (( segid "RN14" and resid 636 and name HB1 )) 3.300 1.400 1.400 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.43399E-02 ppm1 8.615 ppm2 1.933 CV 1 ASSI { 1582} (( segid "RN14" and resid 637 and name HN )) (( segid "RN14" and resid 639 and name HN )) 4.900 3.000 1.100 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.20261E-03 ppm1 8.609 ppm2 8.079 CV 1 ASSI { 1584} (( segid "RN14" and resid 637 and name HN )) (( segid "RN14" and resid 636 and name HA )) 3.300 1.300 1.300 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.19761E-02 ppm1 8.618 ppm2 3.720 CV 1 ASSI { 1585} (( segid "RN14" and resid 637 and name HN )) ( segid "RN14" and resid 636 and name HD2%) 5.700 4.100 0.300 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.36020E-03 ppm1 8.613 ppm2 0.766 CV 1 ASSI { 1586} (( segid "RN14" and resid 637 and name HN )) (( segid "RN14" and resid 636 and name HG )) 3.200 1.300 1.300 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.58530E-02 ppm1 8.617 ppm2 1.492 CV 1 ASSI { 1587} (( segid "RN14" and resid 637 and name HN )) (( segid "RN14" and resid 637 and name HA )) 2.800 0.900 0.900 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.39272E-02 ppm1 8.616 ppm2 4.248 CV 1 ASSI { 1588} (( segid "RN14" and resid 637 and name HN )) (( segid "RN14" and resid 637 and name HB2 )) 2.400 0.700 0.700 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.80046E-02 ppm1 8.616 ppm2 2.584 CV 1 OR { 1588} (( segid "RN14" and resid 637 and name HN )) (( segid "RN14" and resid 637 and name HB1 )) ASSI { 1589} (( segid "RN14" and resid 637 and name HN )) (( segid "RN14" and resid 638 and name HN )) 2.500 0.800 0.800 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.39897E-02 ppm1 8.617 ppm2 7.148 CV 1 ASSI { 1594} (( segid "RN14" and resid 638 and name HN )) (( segid "RN14" and resid 638 and name HG )) 4.300 2.300 1.700 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.98427E-03 ppm1 7.155 ppm2 1.358 CV 1 ASSI { 1600} (( segid "RN14" and resid 638 and name HN )) (( segid "RN14" and resid 634 and name HG2 )) 4.100 2.100 1.900 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.11619E-03 ppm1 7.156 ppm2 2.415 CV 1 OR { 1600} (( segid "RN14" and resid 638 and name HN )) (( segid "RN14" and resid 634 and name HG1 )) ASSI { 1602} (( segid "RN14" and resid 638 and name HN )) ( segid "RN15" and resid 180 and name HE% ) 5.900 4.400 0.100 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.16884E-03 ppm1 7.150 ppm2 6.844 CV 1 ASSI { 1603} (( segid "RN14" and resid 638 and name HN )) (( segid "RN14" and resid 635 and name HN )) 4.400 2.500 1.600 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.21262E-03 ppm1 7.157 ppm2 7.399 CV 1 ASSI { 1605} (( segid "RN14" and resid 638 and name HN )) (( segid "RN14" and resid 637 and name HA )) 4.900 3.000 1.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.17510E-03 ppm1 7.153 ppm2 4.248 CV 1 ASSI { 1606} (( segid "RN14" and resid 638 and name HN )) (( segid "RN14" and resid 637 and name HB1 )) 2.700 0.900 0.900 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.52779E-02 ppm1 7.155 ppm2 2.578 CV 1 OR { 1606} (( segid "RN14" and resid 638 and name HN )) (( segid "RN14" and resid 637 and name HB2 )) ASSI { 1607} (( segid "RN14" and resid 638 and name HN )) (( segid "RN14" and resid 638 and name HA )) 2.600 0.900 0.900 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.31767E-02 ppm1 7.153 ppm2 4.112 CV 1 ASSI { 1608} (( segid "RN14" and resid 638 and name HN )) ( segid "RN14" and resid 638 and name HD1%) 5.000 3.100 1.000 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.62037E-03 ppm1 7.151 ppm2 0.445 CV 1 ASSI { 1609} (( segid "RN14" and resid 638 and name HN )) ( segid "RN14" and resid 638 and name HD2%) 4.400 2.500 1.600 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.14508E-02 ppm1 7.152 ppm2 0.290 CV 1 ASSI { 1612} (( segid "RN14" and resid 638 and name HN )) ( segid "RN14" and resid 639 and name HD1%) 5.700 4.000 0.300 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.33143E-03 ppm1 7.156 ppm2 0.795 CV 1 ASSI { 1624} (( segid "RN14" and resid 639 and name HN )) ( segid "RN14" and resid 638 and name HD1%) 6.000 4.500 0.000 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.073 ppm2 0.445 CV 1 ASSI { 1626} (( segid "RN14" and resid 639 and name HN )) (( segid "RN14" and resid 635 and name HA )) 4.200 2.200 1.800 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.27265E-03 ppm1 8.067 ppm2 3.695 CV 1 ASSI { 1627} (( segid "RN14" and resid 639 and name HN )) (( segid "RN14" and resid 638 and name HN )) 2.500 0.800 0.800 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.40522E-02 ppm1 8.070 ppm2 7.155 CV 1 ASSI { 1628} (( segid "RN14" and resid 639 and name HN )) (( segid "RN14" and resid 639 and name HA )) 3.400 1.500 1.500 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.51153E-03 ppm1 8.061 ppm2 3.799 CV 1 ASSI { 1629} (( segid "RN14" and resid 639 and name HN )) (( segid "RN14" and resid 640 and name HN )) 2.500 0.800 0.800 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.34894E-02 ppm1 8.067 ppm2 7.565 CV 1 ASSI { 1635} (( segid "RN14" and resid 640 and name HN )) (( segid "RN15" and resid 149 and name HB2 )) 4.400 2.500 1.600 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.58530E-03 ppm1 7.570 ppm2 2.341 CV 1 ASSI { 1637} (( segid "RN14" and resid 640 and name HN )) (( segid "RN15" and resid 149 and name HG1 )) 4.100 2.100 1.900 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.57279E-03 ppm1 7.571 ppm2 1.982 CV 1 ASSI { 1638} (( segid "RN14" and resid 640 and name HN )) (( segid "RN15" and resid 149 and name HG2 )) 3.000 1.100 1.100 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.15008E-02 ppm1 7.570 ppm2 2.150 CV 1 ASSI { 1639} (( segid "RN14" and resid 640 and name HN )) (( segid "RN15" and resid 204 and name HE21)) 5.000 3.100 1.000 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.21262E-03 ppm1 7.560 ppm2 7.879 CV 1 ASSI { 1640} (( segid "RN14" and resid 640 and name HN )) (( segid "RN14" and resid 638 and name HN )) 4.600 2.600 1.400 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.33644E-03 ppm1 7.566 ppm2 7.153 CV 1 ASSI { 1641} (( segid "RN14" and resid 640 and name HN )) (( segid "RN14" and resid 638 and name HB1 )) 4.500 2.600 1.500 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.53029E-03 ppm1 7.569 ppm2 1.462 CV 1 ASSI { 1643} (( segid "RN14" and resid 640 and name HN )) (( segid "RN14" and resid 639 and name HB1 )) 4.300 2.300 1.700 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.59906E-03 ppm1 7.570 ppm2 1.849 CV 1 ASSI { 1644} (( segid "RN14" and resid 640 and name HN )) (( segid "RN14" and resid 639 and name HB2 )) 3.000 1.100 1.100 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.10506E-02 ppm1 7.566 ppm2 1.409 CV 1 ASSI { 1645} (( segid "RN14" and resid 640 and name HN )) (( segid "RN14" and resid 640 and name HA )) 2.600 0.800 0.800 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.39772E-02 ppm1 7.567 ppm2 4.217 CV 1 ASSI { 1646} (( segid "RN14" and resid 640 and name HN )) (( segid "RN14" and resid 640 and name HB1 )) 2.600 0.900 0.900 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.37020E-02 ppm1 7.567 ppm2 4.093 CV 1 ASSI { 1647} (( segid "RN14" and resid 640 and name HN )) (( segid "RN14" and resid 640 and name HB2 )) 2.700 0.900 0.900 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.34394E-02 ppm1 7.566 ppm2 3.947 CV 1 ASSI { 1649} (( segid "RN14" and resid 640 and name HN )) (( segid "RN14" and resid 642 and name HN )) 4.500 2.500 1.500 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.40773E-03 ppm1 7.575 ppm2 6.979 CV 1 ASSI { 1656} (( segid "RN14" and resid 641 and name HN )) (( segid "RN14" and resid 638 and name HN )) 4.600 2.700 1.400 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.31767E-03 ppm1 7.330 ppm2 7.158 CV 1 ASSI { 1657} (( segid "RN14" and resid 641 and name HN )) ( segid "RN14" and resid 638 and name HD1%) 5.700 4.100 0.300 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.27640E-03 ppm1 7.329 ppm2 0.440 CV 1 ASSI { 1658} (( segid "RN14" and resid 641 and name HN )) (( segid "RN14" and resid 639 and name HN )) 4.200 2.200 1.800 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.46401E-03 ppm1 7.321 ppm2 8.060 CV 1 ASSI { 1659} (( segid "RN14" and resid 641 and name HN )) (( segid "RN14" and resid 639 and name HA )) 4.100 2.100 1.900 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.41023E-03 ppm1 7.331 ppm2 3.810 CV 1 ASSI { 1660} (( segid "RN14" and resid 641 and name HN )) (( segid "RN14" and resid 640 and name HN )) 2.600 0.800 0.800 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.28766E-02 ppm1 7.326 ppm2 7.572 CV 1 ASSI { 1661} (( segid "RN14" and resid 641 and name HN )) (( segid "RN14" and resid 640 and name HA )) 3.600 1.600 1.600 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.65036E-03 ppm1 7.330 ppm2 4.215 CV 1 ASSI { 1662} (( segid "RN14" and resid 641 and name HN )) (( segid "RN14" and resid 640 and name HB1 )) 3.100 1.200 1.200 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.17385E-02 ppm1 7.327 ppm2 4.112 CV 1 ASSI { 1663} (( segid "RN14" and resid 641 and name HN )) (( segid "RN14" and resid 640 and name HB2 )) 4.500 2.500 1.500 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.39897E-03 ppm1 7.329 ppm2 3.939 CV 1 ASSI { 1664} (( segid "RN14" and resid 641 and name HN )) (( segid "RN14" and resid 641 and name HA )) 2.900 1.100 1.100 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.25639E-02 ppm1 7.328 ppm2 4.540 CV 1 ASSI { 1665} (( segid "RN14" and resid 641 and name HN )) (( segid "RN14" and resid 641 and name HB )) 4.100 2.100 1.900 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.11844E-02 ppm1 7.331 ppm2 2.481 CV 1 ASSI { 1666} (( segid "RN14" and resid 641 and name HN )) ( segid "RN14" and resid 641 and name HG1%) 2.400 0.700 0.700 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.73918E-02 ppm1 7.327 ppm2 0.872 CV 1 ASSI { 1667} (( segid "RN14" and resid 641 and name HN )) ( segid "RN14" and resid 641 and name HG2%) 2.300 0.700 0.700 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.60283E-02 ppm1 7.329 ppm2 0.917 CV 1 ASSI { 1668} (( segid "RN14" and resid 641 and name HN )) (( segid "RN14" and resid 642 and name HN )) 2.400 0.700 0.700 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.57159E-02 ppm1 7.327 ppm2 6.985 CV 1 ASSI { 1669} (( segid "RN14" and resid 641 and name HN )) (( segid "RN14" and resid 642 and name HG11)) 5.300 3.500 0.700 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.23763E-03 ppm1 7.326 ppm2 1.759 CV 1 ASSI { 1671} (( segid "RN14" and resid 642 and name HN )) (( segid "RN14" and resid 639 and name HA )) 4.000 2.000 2.000 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.14508E-02 ppm1 6.990 ppm2 3.831 CV 1 ASSI { 1673} (( segid "RN14" and resid 642 and name HN )) (( segid "RN14" and resid 641 and name HA )) 3.300 1.400 1.400 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.11382E-02 ppm1 6.986 ppm2 4.553 CV 1 ASSI { 1674} (( segid "RN14" and resid 642 and name HN )) (( segid "RN14" and resid 641 and name HB )) 2.600 2.600 3.400 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.11806E-01 ppm1 6.989 ppm2 2.481 CV 1 ASSI { 1675} (( segid "RN14" and resid 642 and name HN )) (( segid "RN14" and resid 642 and name HB )) 4.200 2.200 1.800 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.59535E-03 ppm1 6.982 ppm2 1.961 CV 1 ASSI { 1676} (( segid "RN14" and resid 642 and name HN )) ( segid "RN14" and resid 642 and name HD1%) 5.100 3.300 0.900 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.62037E-03 ppm1 6.987 ppm2 0.544 CV 1 ASSI { 1677} (( segid "RN14" and resid 642 and name HN )) (( segid "RN14" and resid 642 and name HG11)) 3.200 1.300 1.300 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.13382E-02 ppm1 6.984 ppm2 1.753 CV 1 ASSI { 1678} (( segid "RN14" and resid 642 and name HN )) (( segid "RN14" and resid 642 and name HG12)) 2.700 0.900 0.900 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.12632E-02 ppm1 6.981 ppm2 1.338 CV 1 ASSI { 1679} (( segid "RN14" and resid 642 and name HN )) ( segid "RN14" and resid 642 and name HG2%) 2.900 1.100 1.100 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.62785E-02 ppm1 6.981 ppm2 0.866 CV 1 ASSI { 1683} (( segid "RN14" and resid 644 and name HN )) (( segid "RN14" and resid 643 and name HA )) 2.600 0.900 0.900 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.20136E-02 ppm1 7.650 ppm2 4.837 CV 1 ASSI { 1684} (( segid "RN14" and resid 644 and name HN )) (( segid "RN14" and resid 643 and name HB1 )) 3.800 1.800 1.800 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.28265E-03 ppm1 7.659 ppm2 2.132 CV 1 ASSI { 1685} (( segid "RN14" and resid 644 and name HN )) (( segid "RN14" and resid 644 and name HA )) 3.100 1.200 1.200 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.11481E-02 ppm1 7.649 ppm2 4.516 CV 1 ASSI { 1686} (( segid "RN14" and resid 644 and name HN )) (( segid "RN14" and resid 644 and name HG1 )) 3.000 1.100 1.100 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.93052E-03 ppm1 7.654 ppm2 1.362 CV 1 ASSI { 1687} (( segid "RN14" and resid 644 and name HN )) (( segid "RN14" and resid 644 and name HG2 )) 3.100 1.200 1.200 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.21387E-02 ppm1 7.651 ppm2 1.661 CV 1 ASSI { 1688} (( segid "RN14" and resid 644 and name HN )) ( segid "RN14" and resid 647 and name HD% ) 2.500 0.800 0.800 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.28641E-02 ppm1 7.655 ppm2 7.486 CV 1 ASSI { 1689} (( segid "RN14" and resid 644 and name HN )) ( segid "RN14" and resid 647 and name HE% ) 3.900 1.900 1.900 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.67035E-03 ppm1 7.642 ppm2 7.069 CV 1 ASSI { 1691} (( segid "RN14" and resid 645 and name HN )) (( segid "RN15" and resid 204 and name HE22)) 3.500 3.500 2.500 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.32143E-03 ppm1 8.716 ppm2 6.593 CV 1 ASSI { 1693} (( segid "RN14" and resid 645 and name HN )) (( segid "RN14" and resid 644 and name HA )) 2.500 0.800 0.800 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.31518E-02 ppm1 8.718 ppm2 4.510 CV 1 ASSI { 1694} (( segid "RN14" and resid 645 and name HN )) (( segid "RN14" and resid 644 and name HB1 )) 3.000 1.100 1.100 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.17885E-02 ppm1 8.723 ppm2 2.372 CV 1 ASSI { 1695} (( segid "RN14" and resid 645 and name HN )) (( segid "RN14" and resid 645 and name HA )) 3.100 1.200 1.200 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.11844E-02 ppm1 8.720 ppm2 4.368 CV 1 ASSI { 1696} (( segid "RN14" and resid 645 and name HN )) (( segid "RN14" and resid 645 and name HB1 )) 3.700 1.700 1.700 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.26890E-03 ppm1 8.720 ppm2 2.284 CV 1 ASSI { 1697} (( segid "RN14" and resid 645 and name HN )) (( segid "RN14" and resid 645 and name HB2 )) 3.400 1.400 1.400 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.33769E-02 ppm1 8.720 ppm2 2.229 CV 1 ASSI { 1698} (( segid "RN14" and resid 645 and name HN )) (( segid "RN14" and resid 645 and name HD1 )) 5.200 3.300 0.800 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.30767E-03 ppm1 8.709 ppm2 3.447 CV 1 ASSI { 1699} (( segid "RN14" and resid 645 and name HN )) (( segid "RN14" and resid 645 and name HG2 )) 2.600 0.800 0.800 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.21137E-02 ppm1 8.722 ppm2 1.702 CV 1 ASSI { 1701} (( segid "RN14" and resid 645 and name HN )) (( segid "RN14" and resid 648 and name HN )) 4.900 3.000 1.100 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.45150E-03 ppm1 8.723 ppm2 7.854 CV 1 ASSI { 1704} (( segid "RN14" and resid 646 and name HN )) (( segid "RN15" and resid 203 and name HD1 )) 3.100 3.100 2.900 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.65413E-03 ppm1 8.368 ppm2 4.010 CV 1 ASSI { 1705} (( segid "RN14" and resid 646 and name HN )) (( segid "RN14" and resid 643 and name HB2 )) 3.800 3.800 2.200 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.12757E-02 ppm1 8.365 ppm2 2.059 CV 1 ASSI { 1706} (( segid "RN14" and resid 646 and name HN )) (( segid "RN14" and resid 645 and name HN )) 3.200 1.300 1.300 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.89551E-03 ppm1 8.369 ppm2 8.711 CV 1 ASSI { 1707} (( segid "RN14" and resid 646 and name HN )) (( segid "RN14" and resid 645 and name HB2 )) 4.900 3.100 1.100 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.19386E-03 ppm1 8.370 ppm2 2.209 CV 1 ASSI { 1708} (( segid "RN14" and resid 646 and name HN )) (( segid "RN14" and resid 645 and name HD2 )) 3.400 3.400 2.600 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.33018E-03 ppm1 8.374 ppm2 3.465 CV 1 ASSI { 1709} (( segid "RN14" and resid 646 and name HN )) (( segid "RN14" and resid 646 and name HA )) 2.800 1.000 1.000 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.35770E-02 ppm1 8.365 ppm2 4.186 CV 1 ASSI { 1710} (( segid "RN14" and resid 646 and name HN )) (( segid "RN14" and resid 646 and name HB2 )) 2.600 0.800 0.800 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.68160E-02 ppm1 8.369 ppm2 1.901 CV 1 OR { 1710} (( segid "RN14" and resid 646 and name HN )) (( segid "RN14" and resid 646 and name HB1 )) ASSI { 1711} (( segid "RN14" and resid 646 and name HN )) (( segid "RN14" and resid 646 and name HG1 )) 2.900 1.000 1.000 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.90928E-02 ppm1 8.377 ppm2 1.745 CV 1 ASSI { 1712} (( segid "RN14" and resid 646 and name HN )) (( segid "RN14" and resid 646 and name HG2 )) 4.200 2.200 1.800 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.13382E-03 ppm1 8.369 ppm2 1.674 CV 1 ASSI { 1713} (( segid "RN14" and resid 646 and name HN )) (( segid "RN14" and resid 647 and name HN )) 2.800 1.000 1.000 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.21387E-02 ppm1 8.376 ppm2 7.538 CV 1 ASSI { 1714} (( segid "RN14" and resid 646 and name HE21)) (( segid "RN14" and resid 646 and name HB1 )) 4.500 2.600 1.500 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.27640E-03 ppm1 7.169 ppm2 1.900 CV 1 OR { 1714} (( segid "RN14" and resid 646 and name HE21)) (( segid "RN14" and resid 646 and name HB2 )) ASSI { 1715} (( segid "RN14" and resid 646 and name HE22)) (( segid "RN14" and resid 646 and name HB1 )) 6.000 6.000 0.000 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.74415E-04 ppm1 6.801 ppm2 1.892 CV 1 OR { 1715} (( segid "RN14" and resid 646 and name HE22)) (( segid "RN14" and resid 646 and name HB2 )) ASSI { 1717} (( segid "RN14" and resid 646 and name HE21)) (( segid "RN14" and resid 646 and name HE22)) 1.800 0.400 0.400 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.17009E-01 ppm1 7.168 ppm2 6.796 CV 1 ASSI { 1718} (( segid "RN14" and resid 646 and name HE21)) (( segid "RN14" and resid 646 and name HG1 )) 3.100 1.200 1.200 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.11707E-02 ppm1 7.171 ppm2 1.765 CV 1 ASSI { 1719} (( segid "RN14" and resid 646 and name HE22)) (( segid "RN14" and resid 646 and name HG1 )) 4.500 2.600 1.500 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.83674E-03 ppm1 6.798 ppm2 1.759 CV 1 ASSI { 1720} (( segid "RN14" and resid 646 and name HE21)) (( segid "RN14" and resid 646 and name HG2 )) 3.300 1.300 1.300 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.23138E-02 ppm1 7.168 ppm2 1.653 CV 1 ASSI { 1721} (( segid "RN14" and resid 646 and name HE22)) (( segid "RN14" and resid 646 and name HG2 )) 3.900 1.900 1.900 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.22262E-02 ppm1 6.798 ppm2 1.659 CV 1 ASSI { 1722} (( segid "RN14" and resid 647 and name HN )) (( segid "RN15" and resid 161 and name HG1 )) 3.700 3.700 2.300 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.42899E-02 ppm1 7.535 ppm2 2.185 CV 1 ASSI { 1723} (( segid "RN14" and resid 647 and name HN )) (( segid "RN14" and resid 643 and name HB2 )) 4.000 2.000 2.000 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.80920E-03 ppm1 7.534 ppm2 2.062 CV 1 ASSI { 1725} (( segid "RN14" and resid 647 and name HN )) (( segid "RN14" and resid 646 and name HB2 )) 4.600 2.600 1.400 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.19260E-03 ppm1 7.540 ppm2 1.908 CV 1 OR { 1725} (( segid "RN14" and resid 647 and name HN )) (( segid "RN14" and resid 646 and name HB1 )) ASSI { 1726} (( segid "RN14" and resid 647 and name HN )) (( segid "RN14" and resid 646 and name HG1 )) 6.000 5.300 0.000 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.10693E-03 ppm1 7.551 ppm2 1.766 CV 1 ASSI { 1727} (( segid "RN14" and resid 647 and name HN )) (( segid "RN14" and resid 646 and name HG2 )) 6.000 4.700 0.000 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.11219E-03 ppm1 7.537 ppm2 1.640 CV 1 ASSI { 1728} (( segid "RN14" and resid 647 and name HN )) (( segid "RN14" and resid 647 and name HA )) 3.000 1.100 1.100 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.21512E-02 ppm1 7.536 ppm2 4.176 CV 1 ASSI { 1729} (( segid "RN14" and resid 647 and name HN )) (( segid "RN14" and resid 647 and name HB1 )) 3.400 1.500 1.500 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.29266E-02 ppm1 7.541 ppm2 2.732 CV 1 ASSI { 1730} (( segid "RN14" and resid 647 and name HN )) (( segid "RN14" and resid 647 and name HB2 )) 2.500 0.800 0.800 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.30892E-02 ppm1 7.540 ppm2 2.353 CV 1 ASSI { 1731} (( segid "RN14" and resid 647 and name HN )) ( segid "RN14" and resid 647 and name HD% ) 4.400 2.400 1.600 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.27140E-03 ppm1 7.547 ppm2 7.456 CV 1 ASSI { 1733} (( segid "RN14" and resid 647 and name HN )) ( segid "RN14" and resid 648 and name HD% ) 3.200 1.300 1.300 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.16259E-02 ppm1 7.543 ppm2 7.181 CV 1 ASSI { 1735} (( segid "RN14" and resid 648 and name HN )) (( segid "RN14" and resid 646 and name HN )) 5.400 3.600 0.600 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.13883E-03 ppm1 7.839 ppm2 8.381 CV 1 ASSI { 1736} (( segid "RN14" and resid 648 and name HN )) (( segid "RN14" and resid 647 and name HN )) 2.600 0.800 0.800 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.38771E-02 ppm1 7.845 ppm2 7.552 CV 1 ASSI { 1737} (( segid "RN14" and resid 648 and name HN )) (( segid "RN14" and resid 647 and name HA )) 2.800 1.000 1.000 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.37271E-02 ppm1 7.843 ppm2 4.178 CV 1 ASSI { 1738} (( segid "RN14" and resid 648 and name HN )) (( segid "RN14" and resid 647 and name HB1 )) 4.400 2.400 1.600 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.53780E-03 ppm1 7.845 ppm2 2.727 CV 1 ASSI { 1739} (( segid "RN14" and resid 648 and name HN )) (( segid "RN14" and resid 647 and name HB2 )) 3.500 1.500 1.500 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.98930E-03 ppm1 7.847 ppm2 2.351 CV 1 ASSI { 1740} (( segid "RN14" and resid 648 and name HN )) ( segid "RN14" and resid 647 and name HD% ) 2.800 2.800 3.200 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.12069E-02 ppm1 7.848 ppm2 7.487 CV 1 ASSI { 1741} (( segid "RN14" and resid 648 and name HN )) (( segid "RN14" and resid 648 and name HA )) 3.200 1.200 1.200 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.18635E-02 ppm1 7.847 ppm2 4.683 CV 1 ASSI { 1742} (( segid "RN14" and resid 648 and name HN )) (( segid "RN14" and resid 648 and name HB1 )) 3.400 1.400 1.400 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.45900E-02 ppm1 7.838 ppm2 3.186 CV 1 ASSI { 1743} (( segid "RN14" and resid 648 and name HN )) (( segid "RN14" and resid 648 and name HB2 )) 2.700 0.900 0.900 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.31393E-02 ppm1 7.846 ppm2 2.904 CV 1 ASSI { 1744} (( segid "RN14" and resid 648 and name HN )) ( segid "RN14" and resid 648 and name HD% ) 2.500 0.800 0.800 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.49027E-02 ppm1 7.847 ppm2 7.178 CV 1 ASSI { 1746} (( segid "RN14" and resid 649 and name HD21)) (( segid "RN14" and resid 649 and name HB2 )) 3.500 1.500 1.500 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.10456E-02 ppm1 7.554 ppm2 2.867 CV 1 OR { 1746} (( segid "RN14" and resid 649 and name HD21)) (( segid "RN14" and resid 649 and name HB1 )) ASSI { 1747} (( segid "RN14" and resid 649 and name HD22)) (( segid "RN14" and resid 649 and name HB2 )) 4.900 2.900 1.100 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.67160E-03 ppm1 6.851 ppm2 2.883 CV 1 OR { 1747} (( segid "RN14" and resid 649 and name HD22)) (( segid "RN14" and resid 649 and name HB1 )) ASSI { 1749} (( segid "RN14" and resid 649 and name HD22)) ( segid "RN14" and resid 652 and name HD1%) 3.200 3.200 2.800 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.55280E-03 ppm1 6.833 ppm2 0.981 CV 1 ASSI { 1750} (( segid "RN14" and resid 650 and name HN )) (( segid "RN14" and resid 649 and name HA )) 3.000 1.100 1.100 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.22637E-02 ppm1 8.004 ppm2 4.931 CV 1 ASSI { 1751} (( segid "RN14" and resid 650 and name HN )) (( segid "RN14" and resid 649 and name HB2 )) 4.400 2.400 1.600 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.50403E-03 ppm1 7.995 ppm2 2.900 CV 1 OR { 1751} (( segid "RN14" and resid 650 and name HN )) (( segid "RN14" and resid 649 and name HB1 )) ASSI { 1752} (( segid "RN14" and resid 650 and name HN )) ( segid "RN14" and resid 650 and name HG2%) 3.700 1.700 1.700 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.72038E-03 ppm1 8.002 ppm2 1.255 CV 1 ASSI { 1753} (( segid "RN14" and resid 651 and name HN )) (( segid "RN14" and resid 650 and name HB )) 4.700 2.800 1.300 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.47777E-03 ppm1 8.699 ppm2 4.299 CV 1 ASSI { 1754} (( segid "RN14" and resid 651 and name HN )) ( segid "RN14" and resid 650 and name HG2%) 5.200 3.400 0.800 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.16259E-03 ppm1 8.689 ppm2 1.243 CV 1 ASSI { 1755} (( segid "RN14" and resid 651 and name HN )) (( segid "RN14" and resid 651 and name HB1 )) 4.600 2.600 1.400 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.87421E-03 ppm1 8.696 ppm2 3.023 CV 1 ASSI { 1756} (( segid "RN14" and resid 651 and name HN )) (( segid "RN14" and resid 651 and name HB2 )) 3.800 1.800 1.800 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.85170E-03 ppm1 8.697 ppm2 2.896 CV 1 ASSI { 1758} (( segid "RN14" and resid 651 and name HD21)) ( segid "RN14" and resid 650 and name HG2%) 4.100 2.100 1.900 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.44149E-03 ppm1 7.618 ppm2 1.252 CV 1 ASSI { 1759} (( segid "RN14" and resid 651 and name HD22)) ( segid "RN14" and resid 650 and name HG2%) 6.000 5.200 0.000 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.76042E-05 ppm1 6.962 ppm2 1.264 CV 1 ASSI { 1760} (( segid "RN14" and resid 651 and name HD21)) (( segid "RN14" and resid 651 and name HB1 )) 4.000 2.000 2.000 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.63785E-03 ppm1 7.620 ppm2 3.016 CV 1 ASSI { 1761} (( segid "RN14" and resid 651 and name HD22)) (( segid "RN14" and resid 651 and name HB1 )) 5.800 4.200 0.200 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.23388E-03 ppm1 6.953 ppm2 3.020 CV 1 ASSI { 1762} (( segid "RN14" and resid 651 and name HD21)) (( segid "RN14" and resid 651 and name HB2 )) 3.300 1.400 1.400 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.10006E-02 ppm1 7.621 ppm2 2.895 CV 1 ASSI { 1763} (( segid "RN14" and resid 651 and name HD22)) (( segid "RN14" and resid 651 and name HB2 )) 4.700 2.800 1.300 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.69914E-03 ppm1 6.954 ppm2 2.893 CV 1 ASSI { 1764} (( segid "RN14" and resid 651 and name HD22)) (( segid "RN14" and resid 651 and name HD21)) 1.900 0.500 0.500 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.11356E-01 ppm1 6.942 ppm2 7.624 CV 1 ASSI { 1766} (( segid "RN14" and resid 652 and name HN )) (( segid "RN14" and resid 650 and name HN )) 2.800 2.800 3.200 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.60906E-02 ppm1 8.105 ppm2 8.011 CV 1 ASSI { 1767} (( segid "RN14" and resid 652 and name HN )) (( segid "RN14" and resid 651 and name HA )) 2.800 1.000 1.000 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.47777E-02 ppm1 8.103 ppm2 4.640 CV 1 ASSI { 1768} (( segid "RN14" and resid 652 and name HN )) (( segid "RN14" and resid 651 and name HB2 )) 3.600 1.600 1.600 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.68411E-03 ppm1 8.099 ppm2 2.880 CV 1 ASSI { 1769} (( segid "RN14" and resid 652 and name HN )) (( segid "RN14" and resid 652 and name HA )) 2.400 0.700 0.700 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.58284E-02 ppm1 8.130 ppm2 4.337 CV 1 ASSI { 1770} (( segid "RN14" and resid 652 and name HN )) ( segid "RN14" and resid 652 and name HD2%) 2.900 1.100 1.100 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.48276E-02 ppm1 8.102 ppm2 0.956 CV 1 ASSI { 1772} (( segid "RN14" and resid 652 and name HN )) (( segid "RN14" and resid 653 and name HA )) 4.500 2.500 1.500 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.39772E-03 ppm1 8.131 ppm2 4.446 CV 1 ASSI { 1773} (( segid "RN14" and resid 652 and name HN )) ( segid "RN14" and resid 653 and name HD2%) 3.700 1.700 1.700 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.21137E-02 ppm1 8.128 ppm2 0.679 CV 1 OR { 1773} (( segid "RN14" and resid 652 and name HN )) ( segid "RN14" and resid 653 and name HD1%) ASSI { 1783} (( segid "RN14" and resid 654 and name HN )) (( segid "RN15" and resid 206 and name HB1 )) 4.100 2.100 1.900 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.78293E-03 ppm1 8.755 ppm2 3.760 CV 1 ASSI { 1784} (( segid "RN14" and resid 654 and name HN )) (( segid "RN15" and resid 227 and name HA )) 4.000 2.000 2.000 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.64413E-03 ppm1 8.759 ppm2 4.122 CV 1 ASSI { 1785} (( segid "RN14" and resid 654 and name HN )) (( segid "RN14" and resid 653 and name HA )) 2.000 0.500 0.500 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.81794E-02 ppm1 8.756 ppm2 4.431 CV 1 ASSI { 1786} (( segid "RN14" and resid 654 and name HN )) (( segid "RN14" and resid 653 and name HB1 )) 3.000 1.100 1.100 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.31267E-02 ppm1 8.756 ppm2 1.484 CV 1 ASSI { 1787} (( segid "RN14" and resid 654 and name HN )) (( segid "RN14" and resid 653 and name HB2 )) 3.700 1.700 1.700 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.16884E-02 ppm1 8.756 ppm2 1.093 CV 1 ASSI { 1788} (( segid "RN14" and resid 654 and name HN )) ( segid "RN14" and resid 653 and name HD2%) 4.200 2.200 1.800 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.17009E-02 ppm1 8.756 ppm2 0.704 CV 1 ASSI { 1789} (( segid "RN14" and resid 654 and name HN )) (( segid "RN14" and resid 654 and name HA )) 2.700 0.900 0.900 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.25514E-02 ppm1 8.753 ppm2 4.382 CV 1 ASSI { 1790} (( segid "RN14" and resid 654 and name HN )) (( segid "RN14" and resid 654 and name HB1 )) 3.000 1.100 1.100 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.48401E-02 ppm1 8.754 ppm2 2.369 CV 1 ASSI { 1791} (( segid "RN14" and resid 654 and name HN )) (( segid "RN14" and resid 654 and name HB2 )) 2.300 0.600 0.600 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.51028E-02 ppm1 8.756 ppm2 2.733 CV 1 ASSI { 1792} (( segid "RN14" and resid 654 and name HN )) (( segid "RN14" and resid 657 and name HB2 )) 4.300 2.300 1.700 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.28390E-03 ppm1 8.753 ppm2 1.959 CV 1 ASSI { 1799} (( segid "RN14" and resid 655 and name HN )) (( segid "RN15" and resid 199 and name HB1 )) 4.100 2.100 1.900 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.12632E-02 ppm1 8.696 ppm2 1.868 CV 1 ASSI { 1801} (( segid "RN14" and resid 655 and name HN )) (( segid "RN15" and resid 200 and name HN )) 6.000 4.800 0.000 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.14008E-03 ppm1 8.709 ppm2 7.844 CV 1 ASSI { 1802} (( segid "RN14" and resid 655 and name HN )) (( segid "RN15" and resid 206 and name HB1 )) 6.000 5.200 0.000 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.35394E-04 ppm1 8.697 ppm2 3.745 CV 1 ASSI { 1803} (( segid "RN14" and resid 655 and name HN )) (( segid "RN15" and resid 227 and name HB1 )) 5.000 3.100 1.000 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.18510E-03 ppm1 8.696 ppm2 1.461 CV 1 ASSI { 1804} (( segid "RN14" and resid 655 and name HN )) (( segid "RN14" and resid 654 and name HA )) 2.000 0.500 0.500 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.15133E-01 ppm1 8.698 ppm2 4.420 CV 1 ASSI { 1805} (( segid "RN14" and resid 655 and name HN )) (( segid "RN14" and resid 654 and name HB1 )) 3.400 1.400 1.400 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.23388E-02 ppm1 8.699 ppm2 2.361 CV 1 ASSI { 1806} (( segid "RN14" and resid 655 and name HN )) (( segid "RN14" and resid 654 and name HB2 )) 5.300 3.500 0.700 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.38771E-03 ppm1 8.698 ppm2 2.729 CV 1 ASSI { 1807} (( segid "RN14" and resid 655 and name HN )) (( segid "RN14" and resid 655 and name HA )) 2.400 0.700 0.700 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.59032E-02 ppm1 8.698 ppm2 3.911 CV 1 ASSI { 1808} (( segid "RN14" and resid 655 and name HN )) ( segid "RN14" and resid 655 and name HB% ) 2.000 0.500 0.500 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.11994E-01 ppm1 8.698 ppm2 1.573 CV 1 ASSI { 1810} (( segid "RN14" and resid 655 and name HN )) (( segid "RN14" and resid 657 and name HN )) 4.300 2.300 1.700 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.40898E-03 ppm1 8.700 ppm2 8.543 CV 1 ASSI { 1812} (( segid "RN14" and resid 655 and name HN )) (( segid "RN14" and resid 659 and name HN )) 6.000 6.000 0.000 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.32268E-04 ppm1 8.699 ppm2 8.250 CV 1 ASSI { 1816} (( segid "RN14" and resid 656 and name HN )) ( segid "RN14" and resid 659 and name HG2%) 4.500 2.600 1.500 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.10056E-02 ppm1 8.102 ppm2 0.964 CV 1 ASSI { 1817} (( segid "RN14" and resid 656 and name HN )) (( segid "RN14" and resid 654 and name HA )) 3.900 1.900 1.900 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.16259E-02 ppm1 8.109 ppm2 4.413 CV 1 ASSI { 1818} (( segid "RN14" and resid 656 and name HN )) (( segid "RN14" and resid 654 and name HB2 )) 4.000 2.000 2.000 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.14383E-02 ppm1 8.104 ppm2 2.738 CV 1 ASSI { 1819} (( segid "RN14" and resid 656 and name HN )) (( segid "RN14" and resid 655 and name HN )) 2.700 0.900 0.900 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.39021E-02 ppm1 8.105 ppm2 8.689 CV 1 ASSI { 1820} (( segid "RN14" and resid 656 and name HN )) ( segid "RN14" and resid 655 and name HB% ) 2.100 0.500 0.500 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.96302E-02 ppm1 8.107 ppm2 1.566 CV 1 ASSI { 1821} (( segid "RN14" and resid 656 and name HN )) (( segid "RN14" and resid 656 and name HB2 )) 2.000 0.500 0.500 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.19511E-01 ppm1 8.107 ppm2 2.167 CV 1 OR { 1821} (( segid "RN14" and resid 656 and name HN )) (( segid "RN14" and resid 656 and name HB1 )) ASSI { 1822} (( segid "RN14" and resid 656 and name HN )) (( segid "RN14" and resid 656 and name HG1 )) 2.800 1.000 1.000 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.30642E-02 ppm1 8.105 ppm2 2.436 CV 1 ASSI { 1823} (( segid "RN14" and resid 656 and name HN )) (( segid "RN14" and resid 656 and name HG2 )) 2.900 1.100 1.100 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.27891E-02 ppm1 8.108 ppm2 2.328 CV 1 ASSI { 1824} (( segid "RN14" and resid 656 and name HN )) (( segid "RN14" and resid 657 and name HN )) 2.200 0.600 0.600 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.79041E-02 ppm1 8.107 ppm2 8.535 CV 1 ASSI { 1825} (( segid "RN14" and resid 656 and name HN )) (( segid "RN14" and resid 657 and name HE2 )) 6.000 6.000 0.000 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.64533E-04 ppm1 8.104 ppm2 2.992 CV 1 OR { 1825} (( segid "RN14" and resid 656 and name HN )) (( segid "RN14" and resid 657 and name HE1 )) ASSI { 1826} (( segid "RN14" and resid 656 and name HN )) (( segid "RN14" and resid 657 and name HG1 )) 4.200 2.200 1.800 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.25264E-02 ppm1 8.103 ppm2 1.424 CV 1 ASSI { 1827} (( segid "RN14" and resid 656 and name HN )) (( segid "RN14" and resid 657 and name HG2 )) 4.700 2.700 1.300 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.37646E-03 ppm1 8.102 ppm2 1.709 CV 1 ASSI { 1828} (( segid "RN14" and resid 656 and name HN )) (( segid "RN14" and resid 658 and name HB1 )) 3.700 3.700 2.300 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.13758E-02 ppm1 8.106 ppm2 2.052 CV 1 ASSI { 1829} (( segid "RN14" and resid 656 and name HE21)) ( segid "RN15" and resid 196 and name HB% ) 5.800 4.200 0.200 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.42273E-04 ppm1 7.486 ppm2 1.485 CV 1 ASSI { 1832} (( segid "RN14" and resid 656 and name HE22)) ( segid "RN15" and resid 196 and name HB% ) 6.000 6.000 0.000 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.79167E-04 ppm1 6.824 ppm2 1.526 CV 1 ASSI { 1835} (( segid "RN14" and resid 656 and name HE22)) (( segid "RN14" and resid 656 and name HB1 )) 4.700 2.700 1.300 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.33143E-03 ppm1 6.826 ppm2 2.159 CV 1 ASSI { 1836} (( segid "RN14" and resid 656 and name HE21)) (( segid "RN14" and resid 656 and name HB2 )) 6.000 4.500 0.000 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.489 ppm2 2.153 CV 1 ASSI { 1837} (( segid "RN14" and resid 656 and name HE21)) (( segid "RN14" and resid 656 and name HG1 )) 3.400 1.400 1.400 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.23763E-02 ppm1 7.486 ppm2 2.439 CV 1 ASSI { 1838} (( segid "RN14" and resid 656 and name HE22)) (( segid "RN14" and resid 656 and name HG1 )) 5.400 3.700 0.600 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.40522E-03 ppm1 6.826 ppm2 2.428 CV 1 ASSI { 1839} (( segid "RN14" and resid 656 and name HE21)) (( segid "RN14" and resid 656 and name HG2 )) 3.400 1.400 1.400 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.35770E-03 ppm1 7.485 ppm2 2.309 CV 1 ASSI { 1841} (( segid "RN14" and resid 657 and name HN )) (( segid "RN14" and resid 654 and name HB2 )) 4.200 2.200 1.800 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.83793E-03 ppm1 8.530 ppm2 2.726 CV 1 ASSI { 1845} (( segid "RN14" and resid 657 and name HN )) (( segid "RN14" and resid 657 and name HA )) 2.800 1.000 1.000 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.30892E-02 ppm1 8.533 ppm2 4.087 CV 1 ASSI { 1846} (( segid "RN14" and resid 657 and name HN )) (( segid "RN14" and resid 657 and name HB1 )) 3.000 1.200 1.200 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.67537E-02 ppm1 8.529 ppm2 1.873 CV 1 ASSI { 1847} (( segid "RN14" and resid 657 and name HN )) (( segid "RN14" and resid 657 and name HB2 )) 2.600 0.800 0.800 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.35269E-02 ppm1 8.530 ppm2 1.949 CV 1 ASSI { 1848} (( segid "RN14" and resid 657 and name HN )) (( segid "RN14" and resid 658 and name HN )) 2.600 0.900 0.900 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.31767E-02 ppm1 8.533 ppm2 8.792 CV 1 ASSI { 1850} (( segid "RN14" and resid 657 and name HN )) (( segid "RN14" and resid 659 and name HN )) 3.600 1.600 1.600 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.74415E-03 ppm1 8.533 ppm2 8.266 CV 1 ASSI { 1855} (( segid "RN14" and resid 658 and name HN )) (( segid "RN14" and resid 656 and name HB2 )) 4.600 2.700 1.400 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.61283E-03 ppm1 8.803 ppm2 2.125 CV 1 ASSI { 1858} (( segid "RN14" and resid 658 and name HN )) ( segid "RN15" and resid 227 and name HD1%) 5.200 3.400 0.800 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.43399E-03 ppm1 8.805 ppm2 0.380 CV 1 ASSI { 1859} (( segid "RN14" and resid 658 and name HN )) ( segid "RN15" and resid 227 and name HD2%) 4.100 2.100 1.900 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.39146E-03 ppm1 8.809 ppm2 0.569 CV 1 ASSI { 1860} (( segid "RN14" and resid 658 and name HN )) (( segid "RN14" and resid 654 and name HB1 )) 4.400 2.400 1.600 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.65910E-03 ppm1 8.806 ppm2 2.373 CV 1 ASSI { 1861} (( segid "RN14" and resid 658 and name HN )) (( segid "RN14" and resid 655 and name HN )) 4.300 2.300 1.700 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.31017E-03 ppm1 8.812 ppm2 8.728 CV 1 ASSI { 1862} (( segid "RN14" and resid 658 and name HN )) (( segid "RN14" and resid 656 and name HN )) 3.800 1.800 1.800 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.10994E-02 ppm1 8.801 ppm2 8.097 CV 1 ASSI { 1864} (( segid "RN14" and resid 658 and name HN )) (( segid "RN14" and resid 657 and name HA )) 4.600 2.600 1.400 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.33143E-03 ppm1 8.811 ppm2 4.087 CV 1 ASSI { 1865} (( segid "RN14" and resid 658 and name HN )) (( segid "RN14" and resid 657 and name HB1 )) 4.800 2.900 1.200 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.45275E-03 ppm1 8.809 ppm2 1.880 CV 1 ASSI { 1866} (( segid "RN14" and resid 658 and name HN )) (( segid "RN14" and resid 658 and name HA )) 2.500 0.800 0.800 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.24639E-02 ppm1 8.809 ppm2 4.250 CV 1 ASSI { 1867} (( segid "RN14" and resid 658 and name HN )) (( segid "RN14" and resid 658 and name HB1 )) 2.700 0.900 0.900 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.13382E-02 ppm1 8.808 ppm2 2.055 CV 1 ASSI { 1868} (( segid "RN14" and resid 658 and name HN )) (( segid "RN14" and resid 658 and name HB2 )) 2.600 0.900 0.900 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.18385E-02 ppm1 8.807 ppm2 1.379 CV 1 ASSI { 1869} (( segid "RN14" and resid 658 and name HN )) ( segid "RN14" and resid 658 and name HD2%) 5.300 3.500 0.700 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.47651E-03 ppm1 8.810 ppm2 1.041 CV 1 ASSI { 1880} (( segid "RN14" and resid 659 and name HN )) ( segid "RN15" and resid 195 and name HB% ) 4.100 2.100 1.900 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.30392E-02 ppm1 8.250 ppm2 1.404 CV 1 ASSI { 1881} (( segid "RN14" and resid 659 and name HN )) (( segid "RN14" and resid 656 and name HN )) 3.500 1.600 1.600 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.15008E-02 ppm1 8.242 ppm2 8.079 CV 1 ASSI { 1882} (( segid "RN14" and resid 659 and name HN )) (( segid "RN14" and resid 657 and name HA )) 4.800 2.800 1.200 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.17760E-03 ppm1 8.247 ppm2 4.077 CV 1 ASSI { 1883} (( segid "RN14" and resid 659 and name HN )) (( segid "RN14" and resid 657 and name HB1 )) 4.600 2.700 1.400 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.83548E-03 ppm1 8.251 ppm2 1.861 CV 1 ASSI { 1884} (( segid "RN14" and resid 659 and name HN )) (( segid "RN14" and resid 658 and name HN )) 2.700 0.900 0.900 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.18885E-02 ppm1 8.247 ppm2 8.801 CV 1 ASSI { 1885} (( segid "RN14" and resid 659 and name HN )) (( segid "RN14" and resid 658 and name HB1 )) 2.600 0.800 0.800 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.28265E-02 ppm1 8.248 ppm2 2.044 CV 1 ASSI { 1886} (( segid "RN14" and resid 659 and name HN )) (( segid "RN14" and resid 659 and name HA )) 2.600 0.800 0.800 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.45775E-02 ppm1 8.248 ppm2 3.300 CV 1 ASSI { 1887} (( segid "RN14" and resid 659 and name HN )) (( segid "RN14" and resid 659 and name HB )) 2.000 0.500 0.500 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.90174E-02 ppm1 8.248 ppm2 2.154 CV 1 ASSI { 1888} (( segid "RN14" and resid 659 and name HN )) ( segid "RN14" and resid 659 and name HG1%) 4.100 2.100 1.900 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.16759E-02 ppm1 8.248 ppm2 0.908 CV 1 ASSI { 1889} (( segid "RN14" and resid 659 and name HN )) ( segid "RN14" and resid 659 and name HG2%) 2.500 0.800 0.800 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.13132E-01 ppm1 8.248 ppm2 0.988 CV 1 ASSI { 1890} (( segid "RN14" and resid 659 and name HN )) (( segid "RN14" and resid 660 and name HN )) 2.600 0.900 0.900 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.24138E-02 ppm1 8.249 ppm2 7.890 CV 1 ASSI { 1891} (( segid "RN14" and resid 659 and name HN )) (( segid "RN14" and resid 660 and name HA )) 4.600 2.600 1.400 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.97176E-03 ppm1 8.252 ppm2 4.393 CV 1 ASSI { 1892} (( segid "RN14" and resid 659 and name HN )) (( segid "RN14" and resid 660 and name HB1 )) 6.000 6.000 0.000 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.12757E-03 ppm1 8.247 ppm2 2.840 CV 1 ASSI { 1893} (( segid "RN14" and resid 659 and name HN )) ( segid "RN14" and resid 661 and name HD% ) 6.000 4.800 0.000 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.20261E-03 ppm1 8.269 ppm2 7.022 CV 1 ASSI { 1894} (( segid "RN14" and resid 660 and name HN )) (( segid "RN14" and resid 656 and name HA )) 5.300 3.500 0.700 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.91550E-04 ppm1 7.887 ppm2 3.894 CV 1 ASSI { 1896} (( segid "RN14" and resid 660 and name HN )) (( segid "RN14" and resid 659 and name HB )) 2.500 0.800 0.800 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.41773E-02 ppm1 7.891 ppm2 2.160 CV 1 ASSI { 1897} (( segid "RN14" and resid 660 and name HN )) (( segid "RN14" and resid 660 and name HB1 )) 3.600 1.600 1.600 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.36895E-02 ppm1 7.890 ppm2 2.843 CV 1 ASSI { 1898} (( segid "RN14" and resid 660 and name HN )) (( segid "RN14" and resid 660 and name HB2 )) 2.600 0.800 0.800 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.25014E-02 ppm1 7.892 ppm2 2.922 CV 1 ASSI { 1899} (( segid "RN14" and resid 660 and name HN )) (( segid "RN14" and resid 660 and name HD21)) 3.300 1.400 1.400 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.51778E-03 ppm1 7.894 ppm2 7.650 CV 1 ASSI { 1901} (( segid "RN14" and resid 660 and name HD21)) (( segid "RN14" and resid 656 and name HG1 )) 3.000 3.000 3.000 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.69537E-03 ppm1 7.671 ppm2 2.463 CV 1 ASSI { 1902} (( segid "RN14" and resid 660 and name HD22)) (( segid "RN14" and resid 656 and name HG1 )) 3.300 3.300 2.700 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.43149E-03 ppm1 6.922 ppm2 2.443 CV 1 ASSI { 1903} (( segid "RN14" and resid 660 and name HD21)) (( segid "RN14" and resid 656 and name HG2 )) 4.600 2.600 1.400 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.36270E-03 ppm1 7.668 ppm2 2.353 CV 1 ASSI { 1904} (( segid "RN14" and resid 660 and name HD22)) (( segid "RN14" and resid 656 and name HG2 )) 4.000 2.000 2.000 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.59158E-03 ppm1 6.921 ppm2 2.354 CV 1 ASSI { 1905} (( segid "RN14" and resid 660 and name HD21)) (( segid "RN14" and resid 657 and name HA )) 3.600 1.600 1.600 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.50528E-03 ppm1 7.675 ppm2 4.091 CV 1 ASSI { 1906} (( segid "RN14" and resid 660 and name HD22)) (( segid "RN14" and resid 657 and name HA )) 3.200 3.200 2.800 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.51153E-03 ppm1 6.922 ppm2 4.083 CV 1 ASSI { 1907} (( segid "RN14" and resid 660 and name HD21)) (( segid "RN14" and resid 657 and name HG1 )) 3.400 3.400 2.600 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.36395E-03 ppm1 7.673 ppm2 1.417 CV 1 ASSI { 1908} (( segid "RN14" and resid 660 and name HD21)) (( segid "RN14" and resid 659 and name HB )) 3.800 1.800 1.800 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.63282E-03 ppm1 7.670 ppm2 2.157 CV 1 ASSI { 1909} (( segid "RN14" and resid 660 and name HD22)) (( segid "RN14" and resid 659 and name HB )) 5.000 3.100 1.000 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.27265E-03 ppm1 6.927 ppm2 2.160 CV 1 ASSI { 1910} (( segid "RN14" and resid 660 and name HD21)) (( segid "RN14" and resid 660 and name HA )) 5.400 3.600 0.600 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.16134E-03 ppm1 7.675 ppm2 4.382 CV 1 ASSI { 1911} (( segid "RN14" and resid 660 and name HD22)) (( segid "RN14" and resid 660 and name HA )) 4.200 2.200 1.800 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.11607E-02 ppm1 6.931 ppm2 4.378 CV 1 ASSI { 1912} (( segid "RN14" and resid 660 and name HD21)) (( segid "RN14" and resid 660 and name HB1 )) 3.700 1.700 1.700 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.25514E-02 ppm1 7.672 ppm2 2.837 CV 1 ASSI { 1913} (( segid "RN14" and resid 660 and name HD22)) (( segid "RN14" and resid 660 and name HB1 )) 4.000 2.000 2.000 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.31267E-02 ppm1 6.920 ppm2 2.844 CV 1 ASSI { 1914} (( segid "RN14" and resid 660 and name HD21)) (( segid "RN14" and resid 660 and name HB2 )) 2.500 0.800 0.800 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.29016E-02 ppm1 7.674 ppm2 2.928 CV 1 ASSI { 1915} (( segid "RN14" and resid 660 and name HD22)) (( segid "RN14" and resid 660 and name HB2 )) 4.000 2.000 2.000 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.17635E-02 ppm1 6.925 ppm2 2.927 CV 1 ASSI { 1917} (( segid "RN14" and resid 660 and name HD22)) (( segid "RN14" and resid 660 and name HD21)) 1.600 0.300 0.600 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.27015E-01 ppm1 6.928 ppm2 7.676 CV 1 ASSI { 1920} (( segid "RN14" and resid 660 and name HD22)) (( segid "RN14" and resid 663 and name HD21)) 3.100 3.100 2.900 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.57279E-03 ppm1 6.920 ppm2 7.536 CV 1 ASSI { 1922} (( segid "RN14" and resid 661 and name HN )) ( segid "RN15" and resid 227 and name HD2%) 4.500 2.500 1.500 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.12882E-02 ppm1 8.140 ppm2 0.560 CV 1 ASSI { 1924} (( segid "RN14" and resid 661 and name HN )) (( segid "RN14" and resid 657 and name HN )) 3.500 3.500 2.500 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.31142E-03 ppm1 8.141 ppm2 8.558 CV 1 ASSI { 1928} (( segid "RN14" and resid 661 and name HN )) (( segid "RN14" and resid 662 and name HB2 )) 5.300 3.500 0.700 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.36895E-03 ppm1 8.142 ppm2 1.465 CV 1 ASSI { 1929} (( segid "RN14" and resid 661 and name HN )) ( segid "RN15" and resid 227 and name HD1%) 4.700 2.700 1.300 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.21887E-02 ppm1 8.141 ppm2 0.380 CV 1 ASSI { 1930} (( segid "RN14" and resid 661 and name HN )) (( segid "RN14" and resid 660 and name HN )) 2.300 0.600 0.600 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.50653E-02 ppm1 8.140 ppm2 7.891 CV 1 ASSI { 1931} (( segid "RN14" and resid 661 and name HN )) (( segid "RN14" and resid 660 and name HA )) 3.900 1.900 1.900 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.56031E-03 ppm1 8.139 ppm2 4.356 CV 1 ASSI { 1932} (( segid "RN14" and resid 661 and name HN )) (( segid "RN14" and resid 660 and name HB1 )) 3.500 1.500 1.500 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.29391E-02 ppm1 8.142 ppm2 2.872 CV 1 ASSI { 1933} (( segid "RN14" and resid 661 and name HN )) (( segid "RN14" and resid 660 and name HB2 )) 3.900 1.900 1.900 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.46526E-03 ppm1 8.136 ppm2 2.959 CV 1 ASSI { 1934} (( segid "RN14" and resid 661 and name HN )) (( segid "RN14" and resid 661 and name HB1 )) 2.000 0.500 0.500 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.13257E-01 ppm1 8.140 ppm2 3.225 CV 1 OR { 1934} (( segid "RN14" and resid 661 and name HN )) (( segid "RN14" and resid 661 and name HB2 )) ASSI { 1935} (( segid "RN14" and resid 661 and name HN )) ( segid "RN14" and resid 661 and name HD% ) 3.900 1.900 1.900 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.25639E-02 ppm1 8.140 ppm2 6.995 CV 1 ASSI { 1937} (( segid "RN14" and resid 661 and name HN )) (( segid "RN14" and resid 662 and name HN )) 2.400 0.700 0.700 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.41898E-02 ppm1 8.140 ppm2 8.903 CV 1 ASSI { 1938} (( segid "RN14" and resid 661 and name HN )) (( segid "RN14" and resid 663 and name HN )) 5.000 3.100 1.000 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.17760E-03 ppm1 8.141 ppm2 8.486 CV 1 ASSI { 1940} (( segid "RN14" and resid 662 and name HN )) ( segid "RN14" and resid 658 and name HD1%) 3.800 1.800 1.800 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.36270E-03 ppm1 8.909 ppm2 0.950 CV 1 ASSI { 1948} (( segid "RN14" and resid 662 and name HN )) (( segid "RN14" and resid 658 and name HN )) 4.000 2.000 2.000 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.13007E-03 ppm1 8.913 ppm2 8.825 CV 1 ASSI { 1949} (( segid "RN14" and resid 662 and name HN )) (( segid "RN14" and resid 660 and name HN )) 4.300 2.300 1.700 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.72415E-03 ppm1 8.906 ppm2 7.880 CV 1 ASSI { 1950} (( segid "RN14" and resid 662 and name HN )) (( segid "RN14" and resid 661 and name HA )) 3.100 1.200 1.200 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.22262E-02 ppm1 8.908 ppm2 4.244 CV 1 ASSI { 1951} (( segid "RN14" and resid 662 and name HN )) (( segid "RN14" and resid 661 and name HB1 )) 2.300 0.700 0.700 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.32393E-02 ppm1 8.908 ppm2 3.213 CV 1 ASSI { 1952} (( segid "RN14" and resid 662 and name HN )) (( segid "RN14" and resid 661 and name HB2 )) 3.800 1.800 1.800 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.19636E-02 ppm1 8.912 ppm2 3.274 CV 1 ASSI { 1953} (( segid "RN14" and resid 662 and name HN )) ( segid "RN14" and resid 661 and name HD% ) 3.300 1.400 1.400 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.21887E-02 ppm1 8.905 ppm2 7.005 CV 1 ASSI { 1954} (( segid "RN14" and resid 662 and name HN )) ( segid "RN14" and resid 661 and name HE% ) 6.000 6.000 0.000 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.86672E-04 ppm1 8.912 ppm2 7.157 CV 1 ASSI { 1955} (( segid "RN14" and resid 662 and name HN )) (( segid "RN14" and resid 662 and name HA )) 2.700 0.900 0.900 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.16884E-02 ppm1 8.910 ppm2 3.746 CV 1 ASSI { 1956} (( segid "RN14" and resid 662 and name HN )) (( segid "RN14" and resid 662 and name HB1 )) 2.500 0.800 0.800 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.28641E-02 ppm1 8.909 ppm2 1.758 CV 1 ASSI { 1957} (( segid "RN14" and resid 662 and name HN )) (( segid "RN14" and resid 662 and name HB2 )) 2.600 0.800 0.800 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.35519E-02 ppm1 8.908 ppm2 1.478 CV 1 ASSI { 1958} (( segid "RN14" and resid 662 and name HN )) ( segid "RN14" and resid 662 and name HD2%) 5.500 3.700 0.500 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.42273E-03 ppm1 8.908 ppm2 0.814 CV 1 ASSI { 1960} (( segid "RN14" and resid 662 and name HN )) (( segid "RN14" and resid 663 and name HB2 )) 5.600 4.000 0.400 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.22012E-03 ppm1 8.903 ppm2 2.904 CV 1 ASSI { 1961} (( segid "RN14" and resid 662 and name HN )) ( segid "RN14" and resid 666 and name HG2%) 4.500 2.600 1.500 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.61911E-03 ppm1 8.907 ppm2 0.513 CV 1 OR { 1961} (( segid "RN14" and resid 662 and name HN )) ( segid "RN14" and resid 666 and name HG1%) ASSI { 1965} (( segid "RN14" and resid 663 and name HN )) ( segid "RN14" and resid 662 and name HD1%) 4.300 2.300 1.700 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.11206E-02 ppm1 8.518 ppm2 0.839 CV 1 ASSI { 1966} (( segid "RN14" and resid 663 and name HN )) ( segid "RN14" and resid 658 and name HD1%) 4.500 2.500 1.500 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.48151E-03 ppm1 8.519 ppm2 0.972 CV 1 ASSI { 1971} (( segid "RN14" and resid 663 and name HN )) (( segid "RN14" and resid 660 and name HN )) 5.700 4.000 0.300 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.10043E-03 ppm1 8.516 ppm2 7.865 CV 1 ASSI { 1972} (( segid "RN14" and resid 663 and name HN )) (( segid "RN14" and resid 661 and name HA )) 5.800 4.200 0.200 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.61786E-04 ppm1 8.516 ppm2 4.235 CV 1 ASSI { 1973} (( segid "RN14" and resid 663 and name HN )) ( segid "RN14" and resid 661 and name HD% ) 5.000 3.100 1.000 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.53154E-03 ppm1 8.517 ppm2 7.006 CV 1 ASSI { 1974} (( segid "RN14" and resid 663 and name HN )) (( segid "RN14" and resid 662 and name HN )) 2.400 0.700 0.700 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.46150E-02 ppm1 8.513 ppm2 8.906 CV 1 ASSI { 1975} (( segid "RN14" and resid 663 and name HN )) (( segid "RN14" and resid 662 and name HA )) 3.700 1.700 1.700 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.49527E-03 ppm1 8.515 ppm2 3.762 CV 1 ASSI { 1976} (( segid "RN14" and resid 663 and name HN )) (( segid "RN14" and resid 662 and name HB1 )) 2.500 0.800 0.800 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.35019E-02 ppm1 8.514 ppm2 1.764 CV 1 ASSI { 1977} (( segid "RN14" and resid 663 and name HN )) (( segid "RN14" and resid 662 and name HB2 )) 3.600 1.700 1.700 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.24514E-02 ppm1 8.514 ppm2 1.475 CV 1 ASSI { 1979} (( segid "RN14" and resid 663 and name HN )) (( segid "RN14" and resid 663 and name HA )) 2.600 0.800 0.800 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.50528E-02 ppm1 8.513 ppm2 4.337 CV 1 ASSI { 1980} (( segid "RN14" and resid 663 and name HN )) (( segid "RN14" and resid 663 and name HB1 )) 3.000 1.100 1.100 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.15759E-02 ppm1 8.513 ppm2 2.700 CV 1 ASSI { 1981} (( segid "RN14" and resid 663 and name HN )) (( segid "RN14" and resid 663 and name HB2 )) 2.500 0.800 0.800 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.64910E-02 ppm1 8.514 ppm2 2.912 CV 1 ASSI { 1982} (( segid "RN14" and resid 663 and name HN )) (( segid "RN14" and resid 663 and name HD21)) 4.400 2.400 1.600 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.12019E-02 ppm1 8.516 ppm2 7.563 CV 1 ASSI { 1983} (( segid "RN14" and resid 663 and name HN )) (( segid "RN14" and resid 663 and name HD22)) 6.000 4.600 0.000 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.38021E-03 ppm1 8.505 ppm2 5.506 CV 1 ASSI { 1984} (( segid "RN14" and resid 663 and name HN )) (( segid "RN14" and resid 664 and name HN )) 2.500 0.800 0.800 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.53905E-02 ppm1 8.515 ppm2 8.052 CV 1 ASSI { 1985} (( segid "RN14" and resid 663 and name HD22)) (( segid "RN14" and resid 664 and name HB1 )) 3.300 3.300 2.700 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.42023E-03 ppm1 5.508 ppm2 2.662 CV 1 ASSI { 1986} (( segid "RN14" and resid 663 and name HD21)) (( segid "RN15" and resid 188 and name HG1 )) 3.400 3.400 2.600 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.38271E-03 ppm1 7.562 ppm2 5.302 CV 1 ASSI { 1987} (( segid "RN14" and resid 663 and name HD21)) (( segid "RN15" and resid 189 and name HA )) 3.100 1.200 1.200 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.19636E-02 ppm1 7.554 ppm2 3.782 CV 1 ASSI { 1988} (( segid "RN14" and resid 663 and name HD22)) (( segid "RN15" and resid 189 and name HA )) 3.800 1.800 1.800 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.65664E-03 ppm1 5.521 ppm2 3.781 CV 1 ASSI { 1989} (( segid "RN14" and resid 663 and name HD21)) (( segid "RN15" and resid 189 and name HG1 )) 3.200 3.200 2.800 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.54405E-03 ppm1 7.558 ppm2 1.359 CV 1 ASSI { 1992} (( segid "RN14" and resid 663 and name HD21)) (( segid "RN15" and resid 192 and name HD2 )) 3.100 3.100 2.900 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.67663E-03 ppm1 7.551 ppm2 3.249 CV 1 ASSI { 1993} (( segid "RN14" and resid 663 and name HD22)) (( segid "RN15" and resid 192 and name HD2 )) 3.300 3.300 2.700 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.43649E-03 ppm1 5.513 ppm2 3.262 CV 1 ASSI { 1994} (( segid "RN14" and resid 663 and name HD21)) ( segid "RN14" and resid 659 and name HG1%) 2.600 2.600 3.400 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.39522E-02 ppm1 7.555 ppm2 0.920 CV 1 ASSI { 1995} (( segid "RN14" and resid 663 and name HD22)) ( segid "RN14" and resid 659 and name HG1%) 2.600 2.600 3.400 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.17260E-02 ppm1 5.522 ppm2 0.932 CV 1 ASSI { 1996} (( segid "RN14" and resid 663 and name HD21)) (( segid "RN14" and resid 663 and name HA )) 3.900 1.900 1.900 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.21262E-02 ppm1 7.550 ppm2 4.301 CV 1 ASSI { 1997} (( segid "RN14" and resid 663 and name HD22)) (( segid "RN14" and resid 663 and name HA )) 4.700 2.800 1.300 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.75917E-03 ppm1 5.523 ppm2 4.320 CV 1 ASSI { 1998} (( segid "RN14" and resid 663 and name HD21)) (( segid "RN14" and resid 663 and name HB1 )) 2.700 0.900 0.900 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.25889E-02 ppm1 7.549 ppm2 2.688 CV 1 ASSI { 1999} (( segid "RN14" and resid 663 and name HD21)) (( segid "RN14" and resid 663 and name HB2 )) 2.700 0.900 0.900 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.28390E-02 ppm1 7.549 ppm2 2.911 CV 1 ASSI { 2000} (( segid "RN14" and resid 663 and name HD22)) (( segid "RN14" and resid 663 and name HB2 )) 4.500 2.500 1.500 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.88426E-03 ppm1 5.514 ppm2 2.953 CV 1 ASSI { 2003} (( segid "RN14" and resid 663 and name HD21)) (( segid "RN14" and resid 663 and name HD22)) 1.900 0.500 0.500 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.87301E-02 ppm1 7.554 ppm2 5.518 CV 1 ASSI { 2006} (( segid "RN14" and resid 664 and name HN )) (( segid "RN14" and resid 663 and name HB2 )) 3.300 1.400 1.400 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.41398E-02 ppm1 8.042 ppm2 2.910 CV 1 ASSI { 2007} (( segid "RN14" and resid 664 and name HN )) (( segid "RN14" and resid 664 and name HA )) 2.900 1.100 1.100 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.32393E-02 ppm1 8.041 ppm2 4.917 CV 1 ASSI { 2008} (( segid "RN14" and resid 664 and name HN )) (( segid "RN14" and resid 664 and name HB1 )) 2.500 0.800 0.800 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.70662E-02 ppm1 8.041 ppm2 2.655 CV 1 ASSI { 2009} (( segid "RN14" and resid 664 and name HN )) (( segid "RN14" and resid 664 and name HB2 )) 2.500 0.800 0.800 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.61786E-02 ppm1 8.041 ppm2 2.735 CV 1 ASSI { 2011} (( segid "RN14" and resid 664 and name HN )) (( segid "RN14" and resid 665 and name HG2 )) 3.300 1.400 1.400 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.39021E-02 ppm1 8.044 ppm2 2.304 CV 1 OR { 2011} (( segid "RN14" and resid 664 and name HN )) (( segid "RN14" and resid 665 and name HG1 )) ASSI { 2018} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 661 and name HA )) 3.100 1.200 1.200 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.16259E-02 ppm1 8.122 ppm2 4.232 CV 1 ASSI { 2019} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 661 and name HB2 )) 6.000 4.900 0.000 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.12432E-03 ppm1 8.132 ppm2 3.257 CV 1 ASSI { 2020} (( segid "RN14" and resid 665 and name HN )) ( segid "RN14" and resid 661 and name HD% ) 5.700 4.000 0.300 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.22888E-03 ppm1 8.129 ppm2 7.012 CV 1 ASSI { 2021} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 662 and name HA )) 5.300 3.500 0.700 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.13633E-03 ppm1 8.131 ppm2 3.746 CV 1 ASSI { 2022} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 663 and name HN )) 5.400 3.600 0.600 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.10105E-03 ppm1 8.125 ppm2 8.506 CV 1 ASSI { 2023} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 664 and name HN )) 2.700 0.900 0.900 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.28265E-02 ppm1 8.119 ppm2 8.048 CV 1 ASSI { 2024} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 664 and name HA )) 4.200 2.200 1.800 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.46150E-03 ppm1 8.117 ppm2 4.915 CV 1 ASSI { 2025} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 665 and name HA )) 2.700 0.900 0.900 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.43399E-02 ppm1 8.122 ppm2 4.448 CV 1 ASSI { 2026} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 665 and name HB1 )) 3.300 1.400 1.400 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.43899E-02 ppm1 8.120 ppm2 1.592 CV 1 ASSI { 2027} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 665 and name HB2 )) 2.700 2.700 3.300 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.24013E-02 ppm1 8.119 ppm2 1.943 CV 1 ASSI { 2028} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 665 and name HE21)) 4.000 2.000 2.000 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.74917E-03 ppm1 8.112 ppm2 7.539 CV 1 ASSI { 2029} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 665 and name HE22)) 6.000 5.300 0.000 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.15633E-03 ppm1 8.126 ppm2 6.843 CV 1 ASSI { 2030} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 665 and name HG1 )) 2.700 0.900 0.900 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.56531E-02 ppm1 8.122 ppm2 2.282 CV 1 OR { 2030} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 665 and name HG2 )) ASSI { 2031} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 666 and name HN )) 2.300 0.700 0.700 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.86421E-02 ppm1 8.121 ppm2 6.670 CV 1 ASSI { 2032} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 666 and name HA )) 4.900 3.000 1.100 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.50028E-03 ppm1 8.126 ppm2 4.057 CV 1 ASSI { 2033} (( segid "RN14" and resid 665 and name HN )) ( segid "RN14" and resid 666 and name HG2%) 3.600 1.600 1.600 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.16009E-02 ppm1 8.125 ppm2 0.491 CV 1 ASSI { 2034} (( segid "RN14" and resid 665 and name HE21)) (( segid "RN14" and resid 664 and name HB2 )) 3.400 1.500 1.500 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.35269E-03 ppm1 7.562 ppm2 2.734 CV 1 ASSI { 2035} (( segid "RN14" and resid 665 and name HE21)) (( segid "RN14" and resid 665 and name HB2 )) 4.700 2.800 1.300 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.25889E-03 ppm1 7.563 ppm2 1.940 CV 1 ASSI { 2036} (( segid "RN14" and resid 665 and name HE22)) (( segid "RN14" and resid 665 and name HB2 )) 6.000 6.000 0.000 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.22387E-04 ppm1 6.829 ppm2 1.945 CV 1 ASSI { 2037} (( segid "RN14" and resid 665 and name HE21)) (( segid "RN14" and resid 665 and name HG2 )) 3.500 1.500 1.500 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.87049E-03 ppm1 7.556 ppm2 2.282 CV 1 OR { 2037} (( segid "RN14" and resid 665 and name HE21)) (( segid "RN14" and resid 665 and name HG1 )) ASSI { 2038} (( segid "RN14" and resid 665 and name HE22)) (( segid "RN14" and resid 665 and name HG2 )) 4.800 2.900 1.200 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.55030E-03 ppm1 6.830 ppm2 2.293 CV 1 OR { 2038} (( segid "RN14" and resid 665 and name HE22)) (( segid "RN14" and resid 665 and name HG1 )) ASSI { 2047} (( segid "RN14" and resid 666 and name HN )) (( segid "RN15" and resid 185 and name HE21)) 4.100 2.100 1.900 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.45400E-03 ppm1 6.671 ppm2 6.438 CV 1 ASSI { 2048} (( segid "RN14" and resid 666 and name HN )) (( segid "RN15" and resid 185 and name HE22)) 4.100 2.100 1.900 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.72290E-03 ppm1 6.666 ppm2 8.476 CV 1 ASSI { 2049} (( segid "RN14" and resid 666 and name HN )) ( segid "RN15" and resid 218 and name HG2%) 5.100 3.300 0.900 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.71787E-03 ppm1 6.674 ppm2 1.021 CV 1 ASSI { 2050} (( segid "RN14" and resid 666 and name HN )) (( segid "RN14" and resid 662 and name HA )) 4.200 2.200 1.800 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.80166E-03 ppm1 6.668 ppm2 3.748 CV 1 ASSI { 2051} (( segid "RN14" and resid 666 and name HN )) (( segid "RN14" and resid 664 and name HN )) 4.100 2.100 1.900 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.14758E-02 ppm1 6.669 ppm2 8.029 CV 1 ASSI { 2052} (( segid "RN14" and resid 666 and name HN )) (( segid "RN14" and resid 664 and name HA )) 5.200 3.300 0.800 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.17760E-03 ppm1 6.668 ppm2 4.920 CV 1 ASSI { 2053} (( segid "RN14" and resid 666 and name HN )) (( segid "RN14" and resid 664 and name HB2 )) 3.400 3.400 2.600 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.33393E-03 ppm1 6.672 ppm2 2.735 CV 1 ASSI { 2055} (( segid "RN14" and resid 666 and name HN )) (( segid "RN14" and resid 665 and name HA )) 3.000 1.200 1.200 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.28141E-02 ppm1 6.667 ppm2 4.444 CV 1 ASSI { 2056} (( segid "RN14" and resid 666 and name HN )) (( segid "RN14" and resid 665 and name HG2 )) 3.900 1.900 1.900 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.11769E-02 ppm1 6.670 ppm2 2.275 CV 1 ASSI { 2057} (( segid "RN14" and resid 666 and name HN )) (( segid "RN14" and resid 666 and name HA )) 2.600 0.900 0.900 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.44650E-02 ppm1 6.667 ppm2 4.047 CV 1 ASSI { 2058} (( segid "RN14" and resid 666 and name HN )) (( segid "RN14" and resid 666 and name HB )) 2.300 0.600 0.600 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.65538E-02 ppm1 6.667 ppm2 1.821 CV 1 ASSI { 2059} (( segid "RN14" and resid 666 and name HN )) ( segid "RN14" and resid 666 and name HG1%) 3.800 1.800 1.800 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.18260E-02 ppm1 6.669 ppm2 0.550 CV 1 ASSI { 2060} (( segid "RN14" and resid 666 and name HN )) ( segid "RN14" and resid 666 and name HG2%) 2.700 0.900 0.900 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.71290E-02 ppm1 6.668 ppm2 0.481 CV 1 ASSI { 2061} (( segid "RN14" and resid 666 and name HN )) (( segid "RN14" and resid 667 and name HN )) 3.900 1.900 1.900 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.13758E-02 ppm1 6.667 ppm2 8.325 CV 1 ASSI { 2062} (( segid "RN14" and resid 667 and name HN )) (( segid "RN14" and resid 667 and name HG2 )) 4.500 2.500 1.500 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.62911E-03 ppm1 8.336 ppm2 2.137 CV 1 ASSI { 2069} (( segid "RN14" and resid 667 and name HN )) ( segid "RN15" and resid 213 and name HD2%) 5.100 3.300 0.900 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.51404E-03 ppm1 8.334 ppm2 0.858 CV 1 ASSI { 2070} (( segid "RN14" and resid 667 and name HN )) ( segid "RN15" and resid 218 and name HG2%) 2.700 0.900 0.900 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.20136E-02 ppm1 8.334 ppm2 1.022 CV 1 ASSI { 2073} (( segid "RN14" and resid 667 and name HN )) (( segid "RN14" and resid 666 and name HA )) 1.800 0.400 0.400 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.22137E-01 ppm1 8.334 ppm2 4.046 CV 1 ASSI { 2074} (( segid "RN14" and resid 667 and name HN )) ( segid "RN14" and resid 666 and name HG1%) 2.500 0.800 0.800 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.43649E-02 ppm1 8.334 ppm2 0.544 CV 1 ASSI { 2075} (( segid "RN14" and resid 667 and name HN )) ( segid "RN14" and resid 666 and name HG2%) 3.700 1.700 1.700 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.33769E-02 ppm1 8.334 ppm2 0.487 CV 1 ASSI { 2076} (( segid "RN14" and resid 667 and name HN )) (( segid "RN14" and resid 667 and name HA )) 2.500 0.800 0.800 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.43399E-02 ppm1 8.336 ppm2 4.667 CV 1 ASSI { 2077} (( segid "RN14" and resid 667 and name HN )) (( segid "RN14" and resid 667 and name HB1 )) 3.100 1.200 1.200 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.64413E-02 ppm1 8.334 ppm2 1.764 CV 1 ASSI { 2078} (( segid "RN14" and resid 667 and name HN )) (( segid "RN14" and resid 667 and name HB2 )) 2.200 0.600 0.600 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.72792E-02 ppm1 8.336 ppm2 1.875 CV 1 ASSI { 2079} (( segid "RN14" and resid 667 and name HN )) (( segid "RN14" and resid 667 and name HG1 )) 3.400 1.500 1.500 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.12757E-02 ppm1 8.335 ppm2 2.019 CV 1 ASSI { 2081} (( segid "RN14" and resid 667 and name HN )) (( segid "RN14" and resid 668 and name HA )) 6.000 4.600 0.000 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.44024E-04 ppm1 8.337 ppm2 4.375 CV 1 ASSI { 2089} (( segid "RN14" and resid 668 and name HN )) (( segid "RN15" and resid 182 and name HA )) 5.600 3.900 0.400 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.28265E-03 ppm1 9.137 ppm2 3.873 CV 1 ASSI { 2090} (( segid "RN14" and resid 668 and name HN )) (( segid "RN15" and resid 182 and name HG2 )) 6.000 5.400 0.000 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.99678E-04 ppm1 9.142 ppm2 2.301 CV 1 ASSI { 2091} (( segid "RN14" and resid 668 and name HN )) (( segid "RN15" and resid 185 and name HE21)) 4.400 2.400 1.600 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.58530E-03 ppm1 9.138 ppm2 6.418 CV 1 ASSI { 2093} (( segid "RN14" and resid 668 and name HN )) (( segid "RN14" and resid 667 and name HN )) 3.000 1.100 1.100 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.33393E-02 ppm1 9.139 ppm2 8.322 CV 1 ASSI { 2094} (( segid "RN14" and resid 668 and name HN )) (( segid "RN14" and resid 667 and name HA )) 1.900 0.400 0.400 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.15008E-01 ppm1 9.139 ppm2 4.666 CV 1 ASSI { 2095} (( segid "RN14" and resid 668 and name HN )) (( segid "RN14" and resid 667 and name HB1 )) 3.600 1.600 1.600 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.15884E-02 ppm1 9.140 ppm2 1.775 CV 1 ASSI { 2096} (( segid "RN14" and resid 668 and name HN )) (( segid "RN14" and resid 668 and name HA )) 2.500 0.800 0.800 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.29391E-02 ppm1 9.138 ppm2 4.355 CV 1 ASSI { 2097} (( segid "RN14" and resid 668 and name HN )) (( segid "RN14" and resid 668 and name HB )) 2.200 0.600 0.600 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.78796E-02 ppm1 9.139 ppm2 1.989 CV 1 ASSI { 2098} (( segid "RN14" and resid 668 and name HN )) ( segid "RN14" and resid 668 and name HD1%) 3.200 1.300 1.300 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.25264E-02 ppm1 9.141 ppm2 0.633 CV 1 ASSI { 2099} (( segid "RN14" and resid 668 and name HN )) (( segid "RN14" and resid 668 and name HG11)) 3.400 1.500 1.500 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.40272E-02 ppm1 9.139 ppm2 1.329 CV 1 ASSI { 2100} (( segid "RN14" and resid 668 and name HN )) (( segid "RN14" and resid 668 and name HG12)) 2.200 0.600 0.600 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.32393E-02 ppm1 9.140 ppm2 1.186 CV 1 ASSI { 2101} (( segid "RN14" and resid 668 and name HN )) ( segid "RN14" and resid 668 and name HG2%) 3.800 1.800 1.800 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.23888E-02 ppm1 9.139 ppm2 1.044 CV 1 ASSI { 2102} (( segid "RN14" and resid 668 and name HN )) (( segid "RN14" and resid 669 and name HD1 )) 6.000 6.000 0.000 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.48527E-04 ppm1 9.139 ppm2 3.531 CV 1 ASSI { 2107} (( segid "RN14" and resid 670 and name HN )) ( segid "RN15" and resid 178 and name HD2%) 3.700 1.800 1.800 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.14883E-02 ppm1 8.046 ppm2 0.861 CV 1 OR { 2107} (( segid "RN14" and resid 670 and name HN )) ( segid "RN15" and resid 178 and name HD1%) ASSI { 2108} (( segid "RN14" and resid 670 and name HN )) (( segid "RN14" and resid 669 and name HA )) 1.900 0.400 0.400 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.23388E-01 ppm1 8.049 ppm2 4.536 CV 1 ASSI { 2109} (( segid "RN14" and resid 670 and name HN )) (( segid "RN14" and resid 669 and name HB1 )) 3.200 1.300 1.300 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.54155E-02 ppm1 8.049 ppm2 2.336 CV 1 ASSI { 2110} (( segid "RN14" and resid 670 and name HN )) (( segid "RN14" and resid 669 and name HB2 )) 2.800 1.000 1.000 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.56031E-02 ppm1 8.049 ppm2 1.958 CV 1 ASSI { 2111} (( segid "RN14" and resid 670 and name HN )) (( segid "RN14" and resid 669 and name HD1 )) 5.700 4.000 0.300 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.20762E-03 ppm1 8.046 ppm2 3.534 CV 1 ASSI { 2112} (( segid "RN14" and resid 670 and name HN )) (( segid "RN14" and resid 669 and name HG2 )) 4.700 2.700 1.300 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.10693E-02 ppm1 8.047 ppm2 2.078 CV 1 OR { 2112} (( segid "RN14" and resid 670 and name HN )) (( segid "RN14" and resid 669 and name HG1 )) ASSI { 2113} (( segid "RN14" and resid 670 and name HN )) (( segid "RN14" and resid 670 and name HA )) 2.600 0.800 0.800 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.53029E-02 ppm1 8.049 ppm2 4.374 CV 1 ASSI { 2114} (( segid "RN14" and resid 670 and name HN )) (( segid "RN14" and resid 670 and name HB )) 2.900 1.000 1.000 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.59032E-02 ppm1 8.049 ppm2 4.248 CV 1 ASSI { 2115} (( segid "RN14" and resid 670 and name HN )) ( segid "RN14" and resid 670 and name HG2%) 2.700 0.900 0.900 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.52279E-02 ppm1 8.049 ppm2 1.226 CV 1 ASSI { 2117} (( segid "RN14" and resid 670 and name HN )) (( segid "RN14" and resid 673 and name HB1 )) 6.000 5.300 0.000 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.10894E-03 ppm1 8.056 ppm2 3.932 CV 1 OR { 2117} (( segid "RN14" and resid 670 and name HN )) (( segid "RN14" and resid 673 and name HB2 )) ASSI { 2121} (( segid "RN14" and resid 671 and name HN )) (( segid "RN14" and resid 669 and name HB1 )) 5.600 3.900 0.400 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.19135E-03 ppm1 8.331 ppm2 2.352 CV 1 ASSI { 2122} (( segid "RN14" and resid 671 and name HN )) (( segid "RN15" and resid 178 and name HB1 )) 5.200 3.300 0.800 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.10368E-03 ppm1 8.328 ppm2 1.824 CV 1 ASSI { 2123} (( segid "RN14" and resid 671 and name HN )) ( segid "RN15" and resid 178 and name HD2%) 4.500 2.500 1.500 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.17760E-03 ppm1 8.333 ppm2 0.832 CV 1 ASSI { 2124} (( segid "RN14" and resid 671 and name HN )) (( segid "RN15" and resid 182 and name HE22)) 3.600 3.600 2.400 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.26890E-03 ppm1 8.334 ppm2 6.760 CV 1 ASSI { 2125} (( segid "RN14" and resid 671 and name HN )) (( segid "RN14" and resid 670 and name HN )) 3.000 1.100 1.100 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.38896E-02 ppm1 8.333 ppm2 8.047 CV 1 ASSI { 2126} (( segid "RN14" and resid 671 and name HN )) (( segid "RN14" and resid 670 and name HA )) 2.100 0.500 0.500 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.14883E-01 ppm1 8.332 ppm2 4.362 CV 1 ASSI { 2127} (( segid "RN14" and resid 671 and name HN )) (( segid "RN14" and resid 670 and name HB )) 4.000 2.000 2.000 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.13132E-02 ppm1 8.332 ppm2 4.252 CV 1 ASSI { 2128} (( segid "RN14" and resid 671 and name HN )) ( segid "RN14" and resid 670 and name HG2%) 3.400 1.500 1.500 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.35269E-02 ppm1 8.331 ppm2 1.224 CV 1 ASSI { 2129} (( segid "RN14" and resid 671 and name HN )) (( segid "RN14" and resid 671 and name HA )) 3.900 1.900 1.900 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.33393E-03 ppm1 8.334 ppm2 4.123 CV 1 ASSI { 2130} (( segid "RN14" and resid 671 and name HN )) (( segid "RN14" and resid 671 and name HB )) 2.900 1.100 1.100 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.58907E-02 ppm1 8.332 ppm2 2.111 CV 1 ASSI { 2131} (( segid "RN14" and resid 671 and name HN )) ( segid "RN14" and resid 671 and name HG2%) 2.700 0.900 0.900 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.64910E-02 ppm1 8.332 ppm2 0.964 CV 1 ASSI { 2132} (( segid "RN14" and resid 671 and name HN )) (( segid "RN14" and resid 672 and name HN )) 3.300 1.400 1.400 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.99056E-03 ppm1 8.331 ppm2 8.574 CV 1 ASSI { 2133} (( segid "RN14" and resid 671 and name HN )) (( segid "RN14" and resid 672 and name HG1 )) 4.800 2.800 1.200 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.61032E-03 ppm1 8.337 ppm2 2.294 CV 1 OR { 2133} (( segid "RN14" and resid 671 and name HN )) (( segid "RN14" and resid 672 and name HG2 )) ASSI { 2135} (( segid "RN14" and resid 672 and name HN )) (( segid "RN14" and resid 670 and name HA )) 4.000 2.000 2.000 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.12757E-02 ppm1 8.587 ppm2 4.355 CV 1 ASSI { 2137} (( segid "RN14" and resid 672 and name HN )) (( segid "RN14" and resid 671 and name HA )) 2.600 0.900 0.900 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.84296E-02 ppm1 8.587 ppm2 4.130 CV 1 ASSI { 2138} (( segid "RN14" and resid 672 and name HN )) ( segid "RN14" and resid 671 and name HG2%) 3.500 1.500 1.500 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.20762E-02 ppm1 8.587 ppm2 0.964 CV 1 ASSI { 2139} (( segid "RN14" and resid 672 and name HN )) (( segid "RN14" and resid 672 and name HA )) 2.800 1.000 1.000 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.32893E-02 ppm1 8.587 ppm2 4.292 CV 1 ASSI { 2140} (( segid "RN14" and resid 672 and name HN )) (( segid "RN14" and resid 672 and name HB1 )) 3.300 1.300 1.300 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.31017E-02 ppm1 8.587 ppm2 2.100 CV 1 ASSI { 2141} (( segid "RN14" and resid 672 and name HN )) (( segid "RN14" and resid 672 and name HB2 )) 3.000 1.200 1.200 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.47902E-02 ppm1 8.587 ppm2 1.977 CV 1 ASSI { 2142} (( segid "RN14" and resid 672 and name HN )) (( segid "RN14" and resid 672 and name HG1 )) 3.400 1.500 1.500 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.13758E-02 ppm1 8.588 ppm2 2.281 CV 1 OR { 2142} (( segid "RN14" and resid 672 and name HN )) (( segid "RN14" and resid 672 and name HG2 )) ASSI { 2143} (( segid "RN14" and resid 673 and name HN )) (( segid "RN14" and resid 672 and name HA )) 2.900 1.100 1.100 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.22512E-02 ppm1 8.366 ppm2 4.325 CV 1 ASSI { 2144} (( segid "RN14" and resid 673 and name HN )) (( segid "RN14" and resid 673 and name HA )) 3.300 1.400 1.400 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.12757E-02 ppm1 8.362 ppm2 4.521 CV 1 ASSI { 2145} (( segid "RN14" and resid 673 and name HN )) (( segid "RN14" and resid 673 and name HB1 )) 3.800 1.800 1.800 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.78544E-03 ppm1 8.369 ppm2 3.920 CV 1 OR { 2145} (( segid "RN14" and resid 673 and name HN )) (( segid "RN14" and resid 673 and name HB2 )) ASSI { 2147} (( segid "RN14" and resid 674 and name HN )) (( segid "RN14" and resid 674 and name HA )) 3.800 1.800 1.800 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.74666E-03 ppm1 8.169 ppm2 4.385 CV 1 ASSI { 2148} (( segid "RN14" and resid 674 and name HN )) (( segid "RN14" and resid 674 and name HB )) 5.400 3.700 0.600 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.12319E-03 ppm1 8.166 ppm2 4.306 CV 1 ASSI { 2149} (( segid "RN14" and resid 674 and name HN )) ( segid "RN14" and resid 674 and name HG2%) 4.600 2.700 1.400 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.42398E-03 ppm1 8.165 ppm2 1.234 CV 1 ASSI { 2150} (( segid "RN14" and resid 675 and name HN )) (( segid "RN14" and resid 675 and name HA )) 4.100 2.100 1.900 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.47151E-03 ppm1 8.263 ppm2 4.415 CV 1 !! !! !!distance restraints classified as ambiguous !! ASSI { 5} ( segid "RN14" and resid 652 and name HD1%) (( segid "RN15" and resid 207 and name HZ )) 4.700 2.800 1.300 peak 5 spectrum 1 weight 0.10000E+01 volume 0.17060E-02 ppm1 0.986 ppm2 7.529 CV 1 OR { 5} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 187 and name HZ2 )) ASSI { 8} (( segid "RN15" and resid 178 and name HA )) ( segid "RN15" and resid 180 and name HD% ) 5.400 3.700 0.600 peak 8 spectrum 1 weight 0.10000E+01 volume 0.48984E-03 ppm1 4.038 ppm2 6.984 CV 1 OR { 8} (( segid "RN15" and resid 212 and name HA )) ( segid "RN15" and resid 180 and name HD% ) OR { 8} (( segid "RN15" and resid 213 and name HA )) ( segid "RN14" and resid 661 and name HD% ) ASSI { 11} (( segid "RN14" and resid 662 and name HG )) ( segid "RN15" and resid 184 and name HD% ) 4.600 2.600 1.400 peak 11 spectrum 1 weight 0.10000E+01 volume 0.84519E-03 ppm1 1.612 ppm2 7.016 CV 1 OR { 11} (( segid "RN14" and resid 662 and name HG )) ( segid "RN14" and resid 661 and name HD% ) OR { 11} (( segid "RN15" and resid 224 and name HG )) ( segid "RN14" and resid 661 and name HD% ) ASSI { 12} (( segid "RN14" and resid 652 and name HG )) ( segid "RN15" and resid 207 and name HD% ) 5.500 3.700 0.500 peak 12 spectrum 1 weight 0.10000E+01 volume 0.54498E-03 ppm1 1.589 ppm2 7.155 CV 1 OR { 12} (( segid "RN15" and resid 224 and name HG )) ( segid "RN15" and resid 207 and name HD% ) ASSI { 20} ( segid "RN15" and resid 213 and name HD1%) (( segid "RN14" and resid 661 and name HZ )) 4.900 3.000 1.100 peak 20 spectrum 1 weight 0.10000E+01 volume 0.85838E-03 ppm1 0.940 ppm2 7.108 CV 1 OR { 20} ( segid "RN15" and resid 213 and name HD1%) ( segid "RN15" and resid 207 and name HD% ) ASSI { 21} ( segid "RN15" and resid 213 and name HD1%) ( segid "RN14" and resid 661 and name HD% ) 3.600 1.600 1.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.26921E-02 ppm1 0.924 ppm2 6.996 CV 1 OR { 21} ( segid "RN15" and resid 181 and name HD1%) ( segid "RN15" and resid 180 and name HD% ) ASSI { 24} (( segid "RN14" and resid 662 and name HB1 )) ( segid "RN14" and resid 661 and name HD% ) 5.400 3.600 0.600 peak 24 spectrum 1 weight 0.10000E+01 volume 0.43734E-03 ppm1 1.772 ppm2 7.016 CV 1 OR { 24} (( segid "RN14" and resid 662 and name HB1 )) ( segid "RN15" and resid 184 and name HD% ) ASSI { 27} (( segid "RN15" and resid 212 and name HA )) (( segid "RN15" and resid 215 and name HB )) 3.900 1.900 1.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.18379E-02 ppm1 4.033 ppm2 4.307 CV 1 OR { 27} (( segid "RN15" and resid 213 and name HA )) (( segid "RN15" and resid 214 and name HA )) OR { 27} (( segid "RN15" and resid 212 and name HA )) (( segid "RN15" and resid 214 and name HA )) ASSI { 28} (( segid "RN15" and resid 214 and name HA )) (( segid "RN15" and resid 217 and name HA1 )) 4.100 2.100 1.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.12040E-02 ppm1 4.335 ppm2 4.044 CV 1 OR { 28} (( segid "RN15" and resid 214 and name HA )) (( segid "RN15" and resid 213 and name HA )) OR { 28} (( segid "RN15" and resid 214 and name HA )) (( segid "RN15" and resid 211 and name HA )) OR { 28} (( segid "RN15" and resid 214 and name HA )) (( segid "RN15" and resid 217 and name HA2 )) ASSI { 29} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 170 and name HA )) 4.300 2.300 1.700 peak 29 spectrum 1 weight 0.10000E+01 volume 0.10334E-02 ppm1 3.872 ppm2 4.137 CV 1 OR { 29} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 166 and name HA )) OR { 29} (( segid "RN15" and resid 181 and name HA )) (( segid "RN15" and resid 183 and name HA )) OR { 29} (( segid "RN15" and resid 181 and name HA )) (( segid "RN15" and resid 179 and name HA )) OR { 29} (( segid "RN15" and resid 169 and name HA )) (( segid "RN14" and resid 638 and name HA )) OR { 29} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 173 and name HD1 )) ASSI { 39} (( segid "RN15" and resid 214 and name HB2 )) (( segid "RN15" and resid 211 and name HA )) 2.900 1.000 1.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.36266E-02 ppm1 1.527 ppm2 4.051 CV 1 OR { 39} (( segid "RN15" and resid 213 and name HB2 )) (( segid "RN15" and resid 213 and name HA )) OR { 39} (( segid "RN14" and resid 653 and name HB1 )) (( segid "RN15" and resid 206 and name HB2 )) OR { 39} (( segid "RN15" and resid 213 and name HB2 )) (( segid "RN15" and resid 211 and name HA )) OR { 39} (( segid "RN15" and resid 214 and name HB2 )) (( segid "RN15" and resid 212 and name HA )) OR { 39} (( segid "RN15" and resid 214 and name HB2 )) (( segid "RN15" and resid 213 and name HA )) ASSI { 40} (( segid "RN15" and resid 205 and name HB2 )) (( segid "RN15" and resid 205 and name HA )) 2.600 0.800 0.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.32699E-02 ppm1 1.901 ppm2 4.050 CV 1 OR { 40} (( segid "RN15" and resid 213 and name HB1 )) (( segid "RN15" and resid 213 and name HA )) OR { 40} (( segid "RN15" and resid 214 and name HB1 )) (( segid "RN15" and resid 211 and name HA )) OR { 40} (( segid "RN15" and resid 213 and name HB1 )) (( segid "RN15" and resid 211 and name HA )) OR { 40} (( segid "RN15" and resid 214 and name HB1 )) (( segid "RN15" and resid 212 and name HA )) OR { 40} (( segid "RN15" and resid 214 and name HB1 )) (( segid "RN15" and resid 213 and name HA )) OR { 40} (( segid "RN15" and resid 205 and name HB2 )) (( segid "RN15" and resid 206 and name HB2 )) ASSI { 47} (( segid "RN15" and resid 224 and name HB1 )) (( segid "RN15" and resid 224 and name HA )) 2.700 0.900 0.900 peak 47 spectrum 1 weight 0.10000E+01 volume 0.30082E-02 ppm1 1.852 ppm2 4.008 CV 1 OR { 47} (( segid "RN15" and resid 227 and name HB2 )) (( segid "RN15" and resid 224 and name HA )) OR { 47} (( segid "RN15" and resid 178 and name HB1 )) (( segid "RN15" and resid 175 and name HA )) ASSI { 50} (( segid "RN15" and resid 224 and name HB2 )) (( segid "RN15" and resid 225 and name HA )) 4.100 2.100 1.900 peak 50 spectrum 1 weight 0.10000E+01 volume 0.14277E-02 ppm1 1.386 ppm2 3.916 CV 1 OR { 50} (( segid "RN14" and resid 658 and name HB2 )) (( segid "RN14" and resid 655 and name HA )) OR { 50} (( segid "RN15" and resid 148 and name HB2 )) (( segid "RN15" and resid 149 and name HD1 )) ASSI { 56} (( segid "RN15" and resid 227 and name HB2 )) (( segid "RN15" and resid 227 and name HA )) 3.300 1.300 1.300 peak 56 spectrum 1 weight 0.10000E+01 volume 0.11720E-02 ppm1 1.859 ppm2 4.138 CV 1 OR { 56} (( segid "RN15" and resid 178 and name HB1 )) (( segid "RN15" and resid 179 and name HA )) ASSI { 57} (( segid "RN14" and resid 658 and name HB1 )) (( segid "RN14" and resid 655 and name HA )) 2.800 1.000 1.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.12153E-02 ppm1 2.061 ppm2 3.912 CV 1 OR { 57} (( segid "RN14" and resid 658 and name HB1 )) (( segid "RN14" and resid 656 and name HA )) ASSI { 58} (( segid "RN14" and resid 636 and name HB1 )) (( segid "RN14" and resid 633 and name HA )) 2.500 0.800 0.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.35167E-02 ppm1 1.936 ppm2 3.726 CV 1 OR { 58} (( segid "RN14" and resid 636 and name HB1 )) (( segid "RN14" and resid 636 and name HA )) ASSI { 60} (( segid "RN15" and resid 169 and name HB2 )) (( segid "RN15" and resid 166 and name HA )) 3.400 1.400 1.400 peak 60 spectrum 1 weight 0.10000E+01 volume 0.12502E-02 ppm1 1.330 ppm2 4.135 CV 1 OR { 60} (( segid "RN15" and resid 169 and name HB2 )) (( segid "RN15" and resid 170 and name HA )) ASSI { 62} (( segid "RN14" and resid 636 and name HB2 )) (( segid "RN14" and resid 636 and name HA )) 2.700 0.900 0.900 peak 62 spectrum 1 weight 0.10000E+01 volume 0.30986E-02 ppm1 1.503 ppm2 3.726 CV 1 OR { 62} (( segid "RN14" and resid 636 and name HB2 )) (( segid "RN14" and resid 633 and name HA )) ASSI { 63} (( segid "RN15" and resid 169 and name HB1 )) (( segid "RN15" and resid 170 and name HA )) 3.900 1.900 1.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.15567E-02 ppm1 1.934 ppm2 4.135 CV 1 OR { 63} (( segid "RN15" and resid 169 and name HB1 )) (( segid "RN15" and resid 166 and name HA )) OR { 63} (( segid "RN15" and resid 169 and name HB1 )) (( segid "RN14" and resid 638 and name HA )) ASSI { 66} (( segid "RN15" and resid 199 and name HB2 )) (( segid "RN15" and resid 199 and name HA )) 3.400 1.500 1.500 peak 66 spectrum 1 weight 0.10000E+01 volume 0.11732E-02 ppm1 1.544 ppm2 3.989 CV 1 OR { 66} (( segid "RN15" and resid 199 and name HB2 )) (( segid "RN15" and resid 206 and name HA )) ASSI { 68} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 169 and name HA )) 4.600 2.700 1.400 peak 68 spectrum 1 weight 0.10000E+01 volume 0.97422E-03 ppm1 0.684 ppm2 3.884 CV 1 OR { 68} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 180 and name HA )) ASSI { 73} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN15" and resid 224 and name HA )) 2.500 0.800 0.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.30360E-02 ppm1 0.381 ppm2 4.013 CV 1 OR { 73} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN15" and resid 206 and name HA )) ASSI { 75} (( segid "RN15" and resid 199 and name HG )) (( segid "RN15" and resid 199 and name HA )) 3.500 1.500 1.500 peak 75 spectrum 1 weight 0.10000E+01 volume 0.15281E-02 ppm1 2.006 ppm2 3.986 CV 1 OR { 75} (( segid "RN15" and resid 199 and name HG )) (( segid "RN15" and resid 206 and name HA )) ASSI { 77} (( segid "RN14" and resid 652 and name HG )) (( segid "RN14" and resid 652 and name HA )) 3.100 1.200 1.200 peak 77 spectrum 1 weight 0.10000E+01 volume 0.31294E-02 ppm1 1.589 ppm2 4.339 CV 1 OR { 77} (( segid "RN14" and resid 662 and name HG )) (( segid "RN14" and resid 663 and name HA )) ASSI { 83} (( segid "RN15" and resid 224 and name HG )) (( segid "RN15" and resid 224 and name HA )) 3.500 1.500 1.500 peak 83 spectrum 1 weight 0.10000E+01 volume 0.10478E-02 ppm1 1.570 ppm2 4.018 CV 1 OR { 83} (( segid "RN15" and resid 224 and name HG )) (( segid "RN15" and resid 211 and name HA )) ASSI { 84} (( segid "RN14" and resid 636 and name HG )) (( segid "RN14" and resid 633 and name HA )) 2.400 0.700 0.700 peak 84 spectrum 1 weight 0.10000E+01 volume 0.47709E-02 ppm1 1.487 ppm2 3.726 CV 1 OR { 84} (( segid "RN14" and resid 636 and name HG )) (( segid "RN14" and resid 636 and name HA )) ASSI { 85} (( segid "RN15" and resid 205 and name HG )) (( segid "RN15" and resid 205 and name HA )) 3.400 1.500 1.500 peak 85 spectrum 1 weight 0.10000E+01 volume 0.15045E-02 ppm1 1.468 ppm2 4.072 CV 1 OR { 85} (( segid "RN14" and resid 636 and name HG )) (( segid "RN14" and resid 633 and name HB )) OR { 85} (( segid "RN14" and resid 636 and name HG )) (( segid "RN14" and resid 634 and name HA )) OR { 85} (( segid "RN15" and resid 205 and name HG )) (( segid "RN15" and resid 206 and name HB2 )) ASSI { 86} (( segid "RN15" and resid 227 and name HG )) (( segid "RN15" and resid 224 and name HA )) 2.500 0.800 0.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.16878E-02 ppm1 1.454 ppm2 4.019 CV 1 OR { 86} (( segid "RN15" and resid 205 and name HG )) (( segid "RN15" and resid 206 and name HA )) ASSI { 87} (( segid "RN15" and resid 181 and name HG )) (( segid "RN15" and resid 181 and name HA )) 3.300 1.400 1.400 peak 87 spectrum 1 weight 0.10000E+01 volume 0.96879E-03 ppm1 2.108 ppm2 3.856 CV 1 OR { 87} (( segid "RN15" and resid 181 and name HG )) (( segid "RN15" and resid 182 and name HA )) ASSI { 88} (( segid "RN15" and resid 214 and name HG )) (( segid "RN15" and resid 214 and name HA )) 3.300 1.400 1.400 peak 88 spectrum 1 weight 0.10000E+01 volume 0.20411E-02 ppm1 1.754 ppm2 4.332 CV 1 OR { 88} (( segid "RN15" and resid 214 and name HG )) (( segid "RN15" and resid 215 and name HB )) ASSI { 89} (( segid "RN15" and resid 214 and name HG )) (( segid "RN15" and resid 211 and name HA )) 2.600 0.800 0.800 peak 89 spectrum 1 weight 0.10000E+01 volume 0.13726E-02 ppm1 1.757 ppm2 4.049 CV 1 OR { 89} (( segid "RN15" and resid 214 and name HG )) (( segid "RN15" and resid 213 and name HA )) OR { 89} (( segid "RN14" and resid 639 and name HG )) (( segid "RN15" and resid 205 and name HA )) ASSI { 90} (( segid "RN15" and resid 169 and name HG )) (( segid "RN15" and resid 166 and name HA )) 4.200 2.200 1.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.99792E-03 ppm1 1.960 ppm2 4.135 CV 1 OR { 90} (( segid "RN15" and resid 169 and name HG )) (( segid "RN15" and resid 170 and name HA )) OR { 90} (( segid "RN15" and resid 169 and name HG )) (( segid "RN14" and resid 638 and name HA )) ASSI { 91} (( segid "RN15" and resid 212 and name HG )) (( segid "RN15" and resid 212 and name HA )) 3.300 1.300 1.300 peak 91 spectrum 1 weight 0.10000E+01 volume 0.11981E-02 ppm1 1.930 ppm2 4.036 CV 1 OR { 91} (( segid "RN15" and resid 212 and name HG )) (( segid "RN15" and resid 211 and name HA )) OR { 91} (( segid "RN15" and resid 212 and name HG )) (( segid "RN15" and resid 213 and name HA )) OR { 91} (( segid "RN15" and resid 212 and name HG )) (( segid "RN15" and resid 205 and name HA )) ASSI { 94} ( segid "RN15" and resid 213 and name HD1%) (( segid "RN15" and resid 210 and name HA )) 2.300 0.600 0.600 peak 94 spectrum 1 weight 0.10000E+01 volume 0.86284E-02 ppm1 0.937 ppm2 3.853 CV 1 OR { 94} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN15" and resid 181 and name HA )) OR { 94} ( segid "RN15" and resid 213 and name HD1%) (( segid "RN15" and resid 181 and name HA )) OR { 94} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN15" and resid 169 and name HA )) ASSI { 95} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN15" and resid 213 and name HA )) 2.900 1.000 1.000 peak 95 spectrum 1 weight 0.10000E+01 volume 0.74906E-02 ppm1 0.928 ppm2 4.050 CV 1 OR { 95} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN14" and resid 669 and name HD2 )) OR { 95} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN15" and resid 212 and name HA )) OR { 95} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN15" and resid 178 and name HA )) OR { 95} ( segid "RN15" and resid 213 and name HD1%) (( segid "RN15" and resid 213 and name HA )) OR { 95} ( segid "RN15" and resid 213 and name HD1%) (( segid "RN14" and resid 666 and name HA )) OR { 95} ( segid "RN15" and resid 213 and name HD1%) (( segid "RN15" and resid 211 and name HA )) ASSI { 96} ( segid "RN15" and resid 199 and name HD1%) (( segid "RN14" and resid 655 and name HA )) 2.800 1.000 1.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.61529E-02 ppm1 0.999 ppm2 3.913 CV 1 OR { 96} ( segid "RN15" and resid 199 and name HD1%) (( segid "RN15" and resid 196 and name HA )) ASSI { 100} ( segid "RN14" and resid 653 and name HD1%) (( segid "RN15" and resid 207 and name HA )) 2.400 0.700 0.700 peak 100 spectrum 1 weight 0.10000E+01 volume 0.31876E-02 ppm1 0.662 ppm2 4.116 CV 1 OR { 100} ( segid "RN14" and resid 653 and name HD1%) (( segid "RN15" and resid 227 and name HA )) ASSI { 101} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 166 and name HA )) 3.200 1.300 1.300 peak 101 spectrum 1 weight 0.10000E+01 volume 0.38341E-02 ppm1 0.800 ppm2 4.134 CV 1 OR { 101} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 207 and name HA )) OR { 101} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 170 and name HA )) OR { 101} ( segid "RN15" and resid 214 and name HD1%) (( segid "RN15" and resid 207 and name HA )) OR { 101} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN14" and resid 638 and name HA )) ASSI { 102} ( segid "RN15" and resid 214 and name HD1%) (( segid "RN15" and resid 211 and name HA )) 2.300 0.700 0.700 peak 102 spectrum 1 weight 0.10000E+01 volume 0.87089E-02 ppm1 0.807 ppm2 4.048 CV 1 OR { 102} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 211 and name HA )) OR { 102} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 212 and name HA )) OR { 102} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 205 and name HA )) ASSI { 103} ( segid "RN14" and resid 653 and name HD1%) (( segid "RN15" and resid 209 and name HB )) 4.100 2.100 1.900 peak 103 spectrum 1 weight 0.10000E+01 volume 0.18292E-02 ppm1 0.667 ppm2 4.354 CV 1 OR { 103} ( segid "RN14" and resid 653 and name HD1%) (( segid "RN15" and resid 228 and name HA )) ASSI { 104} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 201 and name HA )) 3.300 1.400 1.400 peak 104 spectrum 1 weight 0.10000E+01 volume 0.12732E-01 ppm1 0.972 ppm2 4.268 CV 1 OR { 104} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 142 and name HA )) OR { 104} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 148 and name HA )) ASSI { 105} ( segid "RN14" and resid 636 and name HD1%) (( segid "RN15" and resid 148 and name HA )) 3.700 1.700 1.700 peak 105 spectrum 1 weight 0.10000E+01 volume 0.22841E-02 ppm1 0.855 ppm2 4.266 CV 1 OR { 105} ( segid "RN15" and resid 178 and name HD1%) (( segid "RN14" and resid 670 and name HB )) OR { 105} ( segid "RN14" and resid 636 and name HD1%) (( segid "RN14" and resid 637 and name HA )) ASSI { 106} ( segid "RN15" and resid 214 and name HD1%) (( segid "RN15" and resid 214 and name HA )) 3.700 1.700 1.700 peak 106 spectrum 1 weight 0.10000E+01 volume 0.33978E-02 ppm1 0.797 ppm2 4.331 CV 1 OR { 106} ( segid "RN14" and resid 662 and name HD2%) (( segid "RN15" and resid 209 and name HB )) OR { 106} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 209 and name HB )) ASSI { 107} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN15" and resid 209 and name HA )) 3.800 1.800 1.800 peak 107 spectrum 1 weight 0.10000E+01 volume 0.16328E-02 ppm1 0.929 ppm2 3.661 CV 1 OR { 107} ( segid "RN15" and resid 213 and name HD1%) (( segid "RN15" and resid 221 and name HA )) ASSI { 108} ( segid "RN15" and resid 178 and name HD1%) (( segid "RN15" and resid 174 and name HA )) 3.200 3.200 2.800 peak 108 spectrum 1 weight 0.10000E+01 volume 0.12622E-02 ppm1 0.852 ppm2 3.815 CV 1 OR { 108} ( segid "RN14" and resid 636 and name HD1%) (( segid "RN14" and resid 639 and name HA )) ASSI { 109} ( segid "RN15" and resid 214 and name HD1%) (( segid "RN15" and resid 221 and name HA )) 3.000 1.100 1.100 peak 109 spectrum 1 weight 0.10000E+01 volume 0.49102E-02 ppm1 0.801 ppm2 3.641 CV 1 OR { 109} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 165 and name HA )) OR { 109} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 209 and name HA )) ASSI { 113} ( segid "RN15" and resid 212 and name HD2%) (( segid "RN15" and resid 169 and name HA )) 2.900 1.000 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.14165E-02 ppm1 0.740 ppm2 3.864 CV 1 OR { 113} ( segid "RN15" and resid 212 and name HD2%) (( segid "RN15" and resid 181 and name HA )) ASSI { 114} ( segid "RN15" and resid 212 and name HD2%) (( segid "RN15" and resid 212 and name HA )) 2.100 0.500 0.500 peak 114 spectrum 1 weight 0.10000E+01 volume 0.96554E-02 ppm1 0.735 ppm2 4.037 CV 1 OR { 114} ( segid "RN14" and resid 653 and name HD2%) (( segid "RN15" and resid 224 and name HA )) OR { 114} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 211 and name HA )) OR { 114} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 213 and name HA )) OR { 114} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 224 and name HA )) OR { 114} ( segid "RN15" and resid 212 and name HD2%) (( segid "RN15" and resid 211 and name HA )) ASSI { 115} ( segid "RN14" and resid 639 and name HD2%) (( segid "RN14" and resid 639 and name HA )) 2.100 0.500 0.500 peak 115 spectrum 1 weight 0.10000E+01 volume 0.61220E-02 ppm1 0.863 ppm2 3.828 CV 1 OR { 115} ( segid "RN14" and resid 662 and name HD1%) (( segid "RN15" and resid 181 and name HA )) ASSI { 117} ( segid "RN14" and resid 662 and name HD1%) (( segid "RN15" and resid 209 and name HB )) 4.400 2.500 1.600 peak 117 spectrum 1 weight 0.10000E+01 volume 0.13291E-02 ppm1 0.856 ppm2 4.355 CV 1 OR { 117} ( segid "RN14" and resid 662 and name HD1%) (( segid "RN14" and resid 668 and name HA )) ASSI { 119} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN15" and resid 148 and name HA )) 2.700 0.900 0.900 peak 119 spectrum 1 weight 0.10000E+01 volume 0.40382E-02 ppm1 0.751 ppm2 4.270 CV 1 OR { 119} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN14" and resid 637 and name HA )) ASSI { 120} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 214 and name HA )) 2.000 0.500 0.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.16731E-01 ppm1 0.707 ppm2 4.348 CV 1 OR { 120} ( segid "RN14" and resid 653 and name HD2%) (( segid "RN15" and resid 228 and name HA )) ASSI { 122} ( segid "RN14" and resid 662 and name HD1%) (( segid "RN15" and resid 209 and name HA )) 2.900 2.900 3.100 peak 122 spectrum 1 weight 0.10000E+01 volume 0.90002E-03 ppm1 0.863 ppm2 3.658 CV 1 OR { 122} ( segid "RN14" and resid 639 and name HD2%) (( segid "RN15" and resid 209 and name HA )) ASSI { 124} ( segid "RN14" and resid 662 and name HD1%) (( segid "RN14" and resid 662 and name HA )) 2.300 0.600 0.600 peak 124 spectrum 1 weight 0.10000E+01 volume 0.66515E-02 ppm1 0.856 ppm2 3.747 CV 1 OR { 124} ( segid "RN14" and resid 639 and name HD2%) (( segid "RN14" and resid 636 and name HA )) ASSI { 125} ( segid "RN15" and resid 212 and name HD2%) (( segid "RN15" and resid 170 and name HA )) 4.100 2.100 1.900 peak 125 spectrum 1 weight 0.10000E+01 volume 0.12401E-02 ppm1 0.730 ppm2 4.131 CV 1 OR { 125} ( segid "RN14" and resid 653 and name HD2%) (( segid "RN15" and resid 227 and name HA )) OR { 125} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 207 and name HA )) ASSI { 127} ( segid "RN15" and resid 148 and name HD2%) (( segid "RN14" and resid 636 and name HA )) 4.600 2.600 1.400 peak 127 spectrum 1 weight 0.10000E+01 volume 0.11093E-02 ppm1 0.624 ppm2 3.727 CV 1 OR { 127} ( segid "RN15" and resid 205 and name HD1%) (( segid "RN14" and resid 636 and name HA )) ASSI { 129} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN14" and resid 657 and name HA )) 3.900 1.900 1.900 peak 129 spectrum 1 weight 0.10000E+01 volume 0.32900E-02 ppm1 0.599 ppm2 4.083 CV 1 OR { 129} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN15" and resid 207 and name HA )) OR { 129} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN15" and resid 206 and name HB2 )) ASSI { 130} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN14" and resid 670 and name HA )) 3.300 1.400 1.400 peak 130 spectrum 1 weight 0.10000E+01 volume 0.23168E-02 ppm1 0.841 ppm2 4.366 CV 1 OR { 130} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN14" and resid 668 and name HA )) ASSI { 131} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN15" and resid 178 and name HA )) 2.100 0.600 0.600 peak 131 spectrum 1 weight 0.10000E+01 volume 0.11162E-01 ppm1 0.841 ppm2 4.052 CV 1 OR { 131} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN14" and resid 669 and name HD2 )) ASSI { 132} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN15" and resid 223 and name HA )) 4.800 2.900 1.200 peak 132 spectrum 1 weight 0.10000E+01 volume 0.10088E-02 ppm1 0.446 ppm2 4.413 CV 1 OR { 132} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN14" and resid 653 and name HA )) ASSI { 134} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN15" and resid 221 and name HA )) 4.400 2.400 1.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.16352E-02 ppm1 0.444 ppm2 3.643 CV 1 OR { 134} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN15" and resid 226 and name HD1 )) ASSI { 135} ( segid "RN15" and resid 199 and name HD2%) (( segid "RN14" and resid 655 and name HA )) 4.200 2.200 1.800 peak 135 spectrum 1 weight 0.10000E+01 volume 0.20626E-02 ppm1 0.929 ppm2 3.915 CV 1 OR { 135} ( segid "RN15" and resid 199 and name HD2%) (( segid "RN15" and resid 196 and name HA )) OR { 135} ( segid "RN14" and resid 658 and name HD1%) (( segid "RN14" and resid 655 and name HA )) OR { 135} ( segid "RN15" and resid 199 and name HD2%) (( segid "RN14" and resid 656 and name HA )) ASSI { 136} ( segid "RN15" and resid 199 and name HD2%) (( segid "RN15" and resid 199 and name HA )) 2.000 0.500 0.500 peak 136 spectrum 1 weight 0.10000E+01 volume 0.83765E-02 ppm1 0.917 ppm2 3.989 CV 1 OR { 136} ( segid "RN15" and resid 199 and name HD2%) (( segid "RN15" and resid 206 and name HA )) ASSI { 138} ( segid "RN15" and resid 199 and name HD2%) (( segid "RN15" and resid 206 and name HB2 )) 3.400 1.500 1.500 peak 138 spectrum 1 weight 0.10000E+01 volume 0.33243E-02 ppm1 0.928 ppm2 4.072 CV 1 OR { 138} ( segid "RN15" and resid 199 and name HD2%) (( segid "RN15" and resid 205 and name HA )) ASSI { 139} ( segid "RN15" and resid 213 and name HD2%) (( segid "RN15" and resid 210 and name HA )) 4.400 2.400 1.600 peak 139 spectrum 1 weight 0.10000E+01 volume 0.20441E-02 ppm1 0.855 ppm2 3.863 CV 1 OR { 139} ( segid "RN15" and resid 213 and name HD2%) (( segid "RN15" and resid 218 and name HA )) OR { 139} ( segid "RN15" and resid 213 and name HD2%) (( segid "RN15" and resid 181 and name HA )) ASSI { 140} ( segid "RN15" and resid 213 and name HD2%) (( segid "RN15" and resid 218 and name HA )) 4.400 2.400 1.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.20114E-02 ppm1 0.851 ppm2 3.878 CV 1 OR { 140} ( segid "RN15" and resid 213 and name HD2%) (( segid "RN15" and resid 181 and name HA )) ASSI { 145} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 145 and name HB2 )) 3.200 1.300 1.300 peak 145 spectrum 1 weight 0.10000E+01 volume 0.46180E-02 ppm1 0.980 ppm2 2.862 CV 1 OR { 145} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 202 and name HB1 )) OR { 145} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 144 and name HE2 )) ASSI { 146} ( segid "RN14" and resid 652 and name HD1%) (( segid "RN14" and resid 648 and name HB1 )) 4.100 2.100 1.900 peak 146 spectrum 1 weight 0.10000E+01 volume 0.13825E-02 ppm1 0.986 ppm2 3.184 CV 1 OR { 146} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 140 and name HB2 )) OR { 146} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 140 and name HB1 )) ASSI { 147} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN14" and resid 631 and name HA )) 3.900 1.900 1.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.27857E-02 ppm1 0.187 ppm2 3.374 CV 1 OR { 147} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN15" and resid 149 and name HD2 )) ASSI { 150} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 145 and name HB2 )) 2.500 0.800 0.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.30748E-02 ppm1 0.961 ppm2 2.862 CV 1 OR { 150} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 144 and name HE2 )) ASSI { 151} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN14" and resid 648 and name HB1 )) 3.100 1.200 1.200 peak 151 spectrum 1 weight 0.10000E+01 volume 0.21377E-02 ppm1 0.951 ppm2 3.189 CV 1 OR { 151} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 140 and name HB2 )) OR { 151} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 140 and name HB1 )) ASSI { 154} ( segid "RN14" and resid 639 and name HD2%) (( segid "RN15" and resid 202 and name HB2 )) 3.300 1.300 1.300 peak 154 spectrum 1 weight 0.10000E+01 volume 0.20682E-02 ppm1 0.864 ppm2 2.464 CV 1 OR { 154} ( segid "RN14" and resid 639 and name HD2%) (( segid "RN14" and resid 641 and name HB )) ASSI { 155} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN15" and resid 149 and name HD2 )) 3.600 1.600 1.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.38125E-02 ppm1 0.751 ppm2 3.384 CV 1 OR { 155} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN14" and resid 631 and name HA )) ASSI { 156} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 219 and name HB2 )) 3.500 1.600 1.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.11804E-02 ppm1 0.701 ppm2 2.874 CV 1 OR { 156} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 223 and name HB2 )) ASSI { 157} ( segid "RN15" and resid 148 and name HD2%) (( segid "RN15" and resid 149 and name HD2 )) 3.400 1.400 1.400 peak 157 spectrum 1 weight 0.10000E+01 volume 0.27199E-02 ppm1 0.616 ppm2 3.384 CV 1 OR { 157} ( segid "RN15" and resid 148 and name HD2%) (( segid "RN14" and resid 631 and name HA )) ASSI { 160} ( segid "RN15" and resid 148 and name HD2%) (( segid "RN15" and resid 145 and name HB2 )) 3.700 1.700 1.700 peak 160 spectrum 1 weight 0.10000E+01 volume 0.26355E-02 ppm1 0.639 ppm2 2.859 CV 1 OR { 160} ( segid "RN15" and resid 205 and name HD1%) (( segid "RN15" and resid 204 and name HG1 )) OR { 160} ( segid "RN15" and resid 148 and name HD2%) (( segid "RN15" and resid 202 and name HB1 )) OR { 160} ( segid "RN15" and resid 205 and name HD1%) (( segid "RN15" and resid 202 and name HB1 )) ASSI { 161} ( segid "RN15" and resid 205 and name HD1%) (( segid "RN15" and resid 202 and name HB2 )) 4.300 2.300 1.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.13543E-02 ppm1 0.648 ppm2 2.461 CV 1 OR { 161} ( segid "RN15" and resid 205 and name HD1%) (( segid "RN14" and resid 634 and name HG2 )) OR { 161} ( segid "RN15" and resid 205 and name HD1%) (( segid "RN14" and resid 634 and name HG1 )) OR { 161} ( segid "RN15" and resid 205 and name HD1%) (( segid "RN14" and resid 641 and name HB )) ASSI { 164} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN15" and resid 226 and name HB1 )) 3.000 1.100 1.100 peak 164 spectrum 1 weight 0.10000E+01 volume 0.11735E-02 ppm1 0.575 ppm2 2.417 CV 1 OR { 164} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN14" and resid 656 and name HG1 )) OR { 164} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN15" and resid 200 and name HG2 )) ASSI { 165} ( segid "RN14" and resid 658 and name HD1%) (( segid "RN14" and resid 661 and name HB2 )) 4.500 2.500 1.500 peak 165 spectrum 1 weight 0.10000E+01 volume 0.11367E-02 ppm1 0.961 ppm2 3.302 CV 1 OR { 165} ( segid "RN14" and resid 658 and name HD1%) (( segid "RN14" and resid 659 and name HA )) ASSI { 167} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN15" and resid 219 and name HB2 )) 3.200 1.200 1.200 peak 167 spectrum 1 weight 0.10000E+01 volume 0.15577E-02 ppm1 0.447 ppm2 2.899 CV 1 OR { 167} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN15" and resid 223 and name HB2 )) ASSI { 169} ( segid "RN14" and resid 639 and name HD2%) (( segid "RN15" and resid 204 and name HG1 )) 3.300 1.300 1.300 peak 169 spectrum 1 weight 0.10000E+01 volume 0.21695E-02 ppm1 0.876 ppm2 2.867 CV 1 OR { 169} ( segid "RN14" and resid 639 and name HD2%) (( segid "RN15" and resid 202 and name HB1 )) ASSI { 170} (( segid "RN14" and resid 658 and name HG )) (( segid "RN14" and resid 659 and name HA )) 3.500 1.500 1.500 peak 170 spectrum 1 weight 0.10000E+01 volume 0.10905E-02 ppm1 1.621 ppm2 3.305 CV 1 OR { 170} (( segid "RN14" and resid 662 and name HG )) (( segid "RN14" and resid 659 and name HA )) ASSI { 171} (( segid "RN14" and resid 631 and name HB1 )) (( segid "RN14" and resid 631 and name HA )) 2.800 1.000 1.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.10823E-02 ppm1 1.244 ppm2 3.372 CV 1 OR { 171} (( segid "RN14" and resid 631 and name HB1 )) (( segid "RN15" and resid 149 and name HD2 )) ASSI { 172} (( segid "RN14" and resid 631 and name HB2 )) (( segid "RN14" and resid 631 and name HA )) 3.300 1.300 1.300 peak 172 spectrum 1 weight 0.10000E+01 volume 0.10829E-02 ppm1 0.938 ppm2 3.371 CV 1 OR { 172} (( segid "RN14" and resid 631 and name HB2 )) (( segid "RN15" and resid 149 and name HD2 )) ASSI { 173} (( segid "RN14" and resid 639 and name HB2 )) (( segid "RN15" and resid 149 and name HD2 )) 3.300 1.300 1.300 peak 173 spectrum 1 weight 0.10000E+01 volume 0.10253E-02 ppm1 1.401 ppm2 3.383 CV 1 OR { 173} (( segid "RN15" and resid 148 and name HB2 )) (( segid "RN15" and resid 149 and name HD2 )) ASSI { 174} (( segid "RN15" and resid 205 and name HB1 )) (( segid "RN15" and resid 202 and name HB1 )) 3.900 1.900 1.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.93766E-03 ppm1 1.516 ppm2 2.868 CV 1 OR { 174} (( segid "RN15" and resid 213 and name HB2 )) (( segid "RN15" and resid 219 and name HB2 )) OR { 174} (( segid "RN15" and resid 205 and name HB1 )) (( segid "RN15" and resid 204 and name HG1 )) OR { 174} (( segid "RN15" and resid 213 and name HB2 )) (( segid "RN15" and resid 223 and name HB2 )) ASSI { 176} (( segid "RN15" and resid 213 and name HB2 )) (( segid "RN15" and resid 213 and name HG )) 2.700 0.900 0.900 peak 176 spectrum 1 weight 0.10000E+01 volume 0.18102E-02 ppm1 1.517 ppm2 2.227 CV 1 OR { 176} (( segid "RN15" and resid 213 and name HB2 )) (( segid "RN15" and resid 212 and name HB1 )) ASSI { 186} (( segid "RN14" and resid 653 and name HA )) ( segid "RN15" and resid 228 and name HB% ) 2.400 0.700 0.700 peak 186 spectrum 1 weight 0.10000E+01 volume 0.36159E-02 ppm1 4.442 ppm2 1.493 CV 1 OR { 186} (( segid "RN14" and resid 653 and name HA )) (( segid "RN14" and resid 653 and name HB1 )) ASSI { 187} (( segid "RN15" and resid 148 and name HA )) (( segid "RN15" and resid 148 and name HB2 )) 3.500 1.600 1.600 peak 187 spectrum 1 weight 0.10000E+01 volume 0.13450E-02 ppm1 4.263 ppm2 1.401 CV 1 OR { 187} (( segid "RN15" and resid 148 and name HA )) (( segid "RN14" and resid 639 and name HB2 )) ASSI { 192} (( segid "RN15" and resid 224 and name HA )) ( segid "RN14" and resid 653 and name HD2%) 3.700 1.700 1.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.93429E-03 ppm1 4.013 ppm2 0.710 CV 1 OR { 192} (( segid "RN15" and resid 224 and name HA )) ( segid "RN15" and resid 214 and name HD2%) ASSI { 201} (( segid "RN15" and resid 205 and name HA )) ( segid "RN15" and resid 208 and name HG1%) 2.900 1.100 1.100 peak 201 spectrum 1 weight 0.10000E+01 volume 0.24028E-02 ppm1 4.062 ppm2 0.705 CV 1 OR { 201} (( segid "RN15" and resid 205 and name HA )) ( segid "RN15" and resid 212 and name HD1%) ASSI { 202} (( segid "RN15" and resid 205 and name HA )) ( segid "RN15" and resid 205 and name HD1%) 2.300 0.600 0.600 peak 202 spectrum 1 weight 0.10000E+01 volume 0.43864E-02 ppm1 4.060 ppm2 0.641 CV 1 OR { 202} (( segid "RN15" and resid 205 and name HA )) ( segid "RN15" and resid 205 and name HD2%) OR { 202} (( segid "RN15" and resid 205 and name HA )) ( segid "RN14" and resid 635 and name HG1%) OR { 202} (( segid "RN15" and resid 205 and name HA )) ( segid "RN15" and resid 169 and name HD2%) ASSI { 205} (( segid "RN15" and resid 169 and name HA )) ( segid "RN15" and resid 169 and name HD1%) 3.800 1.800 1.800 peak 205 spectrum 1 weight 0.10000E+01 volume 0.26385E-02 ppm1 3.855 ppm2 0.803 CV 1 OR { 205} (( segid "RN14" and resid 639 and name HA )) ( segid "RN14" and resid 639 and name HD1%) OR { 205} (( segid "RN15" and resid 181 and name HA )) ( segid "RN14" and resid 662 and name HD2%) ASSI { 206} (( segid "RN14" and resid 639 and name HA )) ( segid "RN15" and resid 208 and name HG2%) 3.900 1.900 1.900 peak 206 spectrum 1 weight 0.10000E+01 volume 0.10031E-02 ppm1 3.834 ppm2 1.033 CV 1 OR { 206} (( segid "RN15" and resid 181 and name HA )) ( segid "RN15" and resid 208 and name HG2%) OR { 206} (( segid "RN15" and resid 181 and name HA )) ( segid "RN15" and resid 218 and name HG2%) ASSI { 207} (( segid "RN15" and resid 199 and name HA )) ( segid "RN15" and resid 205 and name HD2%) 4.400 2.400 1.600 peak 207 spectrum 1 weight 0.10000E+01 volume 0.14234E-02 ppm1 3.986 ppm2 0.629 CV 1 OR { 207} (( segid "RN15" and resid 199 and name HA )) ( segid "RN15" and resid 205 and name HD1%) OR { 207} (( segid "RN15" and resid 199 and name HA )) ( segid "RN14" and resid 635 and name HG1%) ASSI { 208} (( segid "RN14" and resid 639 and name HA )) ( segid "RN14" and resid 639 and name HD2%) 2.200 0.600 0.600 peak 208 spectrum 1 weight 0.10000E+01 volume 0.55704E-02 ppm1 3.827 ppm2 0.866 CV 1 OR { 208} (( segid "RN15" and resid 181 and name HA )) ( segid "RN14" and resid 662 and name HD1%) OR { 208} (( segid "RN14" and resid 639 and name HA )) ( segid "RN14" and resid 642 and name HG2%) OR { 208} (( segid "RN15" and resid 181 and name HA )) ( segid "RN15" and resid 213 and name HD2%) OR { 208} (( segid "RN14" and resid 639 and name HA )) ( segid "RN15" and resid 165 and name HG2%) ASSI { 210} (( segid "RN15" and resid 199 and name HA )) ( segid "RN15" and resid 199 and name HD1%) 4.100 2.100 1.900 peak 210 spectrum 1 weight 0.10000E+01 volume 0.22689E-02 ppm1 3.990 ppm2 1.003 CV 1 OR { 210} (( segid "RN15" and resid 199 and name HA )) ( segid "RN14" and resid 659 and name HG2%) ASSI { 219} (( segid "RN15" and resid 205 and name HA )) ( segid "RN14" and resid 639 and name HD2%) 3.600 1.600 1.600 peak 219 spectrum 1 weight 0.10000E+01 volume 0.12150E-02 ppm1 4.057 ppm2 0.870 CV 1 OR { 219} (( segid "RN15" and resid 205 and name HA )) ( segid "RN15" and resid 165 and name HG2%) OR { 219} (( segid "RN15" and resid 205 and name HA )) ( segid "RN14" and resid 642 and name HG2%) ASSI { 221} (( segid "RN14" and resid 636 and name HA )) ( segid "RN14" and resid 636 and name HD1%) 4.000 2.000 2.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.22931E-02 ppm1 3.733 ppm2 0.855 CV 1 OR { 221} (( segid "RN14" and resid 636 and name HA )) ( segid "RN14" and resid 639 and name HD2%) ASSI { 225} (( segid "RN15" and resid 213 and name HA )) ( segid "RN15" and resid 218 and name HG2%) 4.500 2.500 1.500 peak 225 spectrum 1 weight 0.10000E+01 volume 0.19439E-02 ppm1 4.052 ppm2 1.033 CV 1 OR { 225} (( segid "RN15" and resid 213 and name HA )) ( segid "RN14" and resid 658 and name HD2%) ASSI { 226} (( segid "RN14" and resid 636 and name HA )) ( segid "RN14" and resid 635 and name HG1%) 3.700 1.700 1.700 peak 226 spectrum 1 weight 0.10000E+01 volume 0.17262E-02 ppm1 3.744 ppm2 0.623 CV 1 OR { 226} (( segid "RN14" and resid 636 and name HA )) ( segid "RN15" and resid 148 and name HD2%) OR { 226} (( segid "RN14" and resid 636 and name HA )) ( segid "RN15" and resid 205 and name HD1%) OR { 226} (( segid "RN14" and resid 636 and name HA )) ( segid "RN15" and resid 205 and name HD2%) ASSI { 228} (( segid "RN15" and resid 213 and name HA )) ( segid "RN15" and resid 213 and name HD2%) 2.300 0.600 0.600 peak 228 spectrum 1 weight 0.10000E+01 volume 0.81155E-02 ppm1 4.053 ppm2 0.853 CV 1 OR { 228} (( segid "RN15" and resid 178 and name HA )) ( segid "RN15" and resid 178 and name HD2%) OR { 228} (( segid "RN15" and resid 178 and name HA )) ( segid "RN15" and resid 178 and name HD1%) ASSI { 230} (( segid "RN15" and resid 198 and name HA )) ( segid "RN15" and resid 141 and name HD2%) 3.400 1.500 1.500 peak 230 spectrum 1 weight 0.10000E+01 volume 0.10028E-02 ppm1 3.807 ppm2 0.972 CV 1 OR { 230} (( segid "RN15" and resid 198 and name HA )) ( segid "RN15" and resid 141 and name HD1%) OR { 230} (( segid "RN15" and resid 198 and name HA )) ( segid "RN15" and resid 201 and name HD2%) ASSI { 232} (( segid "RN15" and resid 213 and name HA )) ( segid "RN15" and resid 181 and name HD2%) 4.200 2.200 1.800 peak 232 spectrum 1 weight 0.10000E+01 volume 0.16226E-02 ppm1 4.046 ppm2 1.113 CV 1 OR { 232} (( segid "RN15" and resid 212 and name HA )) ( segid "RN15" and resid 181 and name HD2%) OR { 232} (( segid "RN15" and resid 178 and name HA )) ( segid "RN15" and resid 181 and name HD2%) ASSI { 233} (( segid "RN15" and resid 178 and name HA )) ( segid "RN15" and resid 176 and name HG1%) 4.000 2.000 2.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.20028E-02 ppm1 4.051 ppm2 1.063 CV 1 OR { 233} (( segid "RN15" and resid 213 and name HA )) ( segid "RN14" and resid 658 and name HD2%) OR { 233} (( segid "RN15" and resid 213 and name HA )) ( segid "RN15" and resid 221 and name HG2%) OR { 233} (( segid "RN15" and resid 212 and name HA )) ( segid "RN15" and resid 221 and name HG2%) ASSI { 234} (( segid "RN15" and resid 212 and name HA )) (( segid "RN15" and resid 212 and name HB2 )) 3.200 1.200 1.200 peak 234 spectrum 1 weight 0.10000E+01 volume 0.15679E-02 ppm1 4.040 ppm2 1.204 CV 1 OR { 234} (( segid "RN15" and resid 213 and name HA )) (( segid "RN15" and resid 212 and name HB2 )) OR { 234} (( segid "RN15" and resid 178 and name HA )) ( segid "RN14" and resid 670 and name HG2%) OR { 234} (( segid "RN15" and resid 178 and name HA )) (( segid "RN14" and resid 668 and name HG12)) ASSI { 235} (( segid "RN15" and resid 212 and name HA )) ( segid "RN15" and resid 212 and name HD1%) 3.800 1.800 1.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.22984E-02 ppm1 4.037 ppm2 0.695 CV 1 OR { 235} (( segid "RN15" and resid 213 and name HA )) ( segid "RN15" and resid 214 and name HD2%) OR { 235} (( segid "RN15" and resid 212 and name HA )) ( segid "RN15" and resid 208 and name HG1%) OR { 235} (( segid "RN15" and resid 178 and name HA )) ( segid "RN15" and resid 212 and name HD1%) ASSI { 236} (( segid "RN15" and resid 181 and name HA )) ( segid "RN15" and resid 181 and name HD1%) 4.000 2.000 2.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.24992E-02 ppm1 3.854 ppm2 0.925 CV 1 OR { 236} (( segid "RN15" and resid 169 and name HA )) ( segid "RN14" and resid 641 and name HG2%) OR { 236} (( segid "RN15" and resid 181 and name HA )) ( segid "RN15" and resid 213 and name HD1%) OR { 236} (( segid "RN15" and resid 169 and name HA )) ( segid "RN15" and resid 181 and name HD1%) ASSI { 238} (( segid "RN15" and resid 169 and name HA )) ( segid "RN15" and resid 212 and name HD1%) 4.400 2.400 1.600 peak 238 spectrum 1 weight 0.10000E+01 volume 0.15861E-02 ppm1 3.843 ppm2 0.692 CV 1 OR { 238} (( segid "RN15" and resid 181 and name HA )) ( segid "RN15" and resid 212 and name HD1%) OR { 238} (( segid "RN15" and resid 181 and name HA )) ( segid "RN15" and resid 208 and name HG1%) OR { 238} (( segid "RN15" and resid 169 and name HA )) ( segid "RN15" and resid 208 and name HG1%) ASSI { 239} (( segid "RN15" and resid 213 and name HA )) ( segid "RN14" and resid 668 and name HD1%) 4.400 2.500 1.600 peak 239 spectrum 1 weight 0.10000E+01 volume 0.14106E-02 ppm1 4.042 ppm2 0.642 CV 1 OR { 239} (( segid "RN15" and resid 212 and name HA )) ( segid "RN15" and resid 169 and name HD2%) OR { 239} (( segid "RN15" and resid 178 and name HA )) ( segid "RN14" and resid 668 and name HD1%) OR { 239} (( segid "RN15" and resid 212 and name HA )) ( segid "RN14" and resid 668 and name HD1%) ASSI { 240} (( segid "RN14" and resid 638 and name HA )) ( segid "RN14" and resid 641 and name HG1%) 3.400 1.500 1.500 peak 240 spectrum 1 weight 0.10000E+01 volume 0.17070E-02 ppm1 4.132 ppm2 0.863 CV 1 OR { 240} (( segid "RN14" and resid 638 and name HA )) ( segid "RN14" and resid 642 and name HG2%) ASSI { 241} (( segid "RN14" and resid 658 and name HA )) (( segid "RN14" and resid 658 and name HG )) 3.500 1.500 1.500 peak 241 spectrum 1 weight 0.10000E+01 volume 0.11142E-02 ppm1 4.268 ppm2 1.619 CV 1 OR { 241} (( segid "RN14" and resid 658 and name HA )) (( segid "RN14" and resid 665 and name HB1 )) ASSI { 242} (( segid "RN14" and resid 658 and name HA )) (( segid "RN14" and resid 658 and name HB2 )) 2.500 0.800 0.800 peak 242 spectrum 1 weight 0.10000E+01 volume 0.13202E-02 ppm1 4.270 ppm2 1.372 CV 1 OR { 242} (( segid "RN14" and resid 658 and name HA )) ( segid "RN15" and resid 210 and name HB% ) ASSI { 243} (( segid "RN15" and resid 213 and name HA )) (( segid "RN15" and resid 218 and name HB )) 3.400 1.500 1.500 peak 243 spectrum 1 weight 0.10000E+01 volume 0.30314E-02 ppm1 4.050 ppm2 1.964 CV 1 OR { 243} (( segid "RN15" and resid 178 and name HA )) (( segid "RN14" and resid 669 and name HB2 )) OR { 243} (( segid "RN15" and resid 178 and name HA )) (( segid "RN14" and resid 668 and name HB )) OR { 243} (( segid "RN15" and resid 178 and name HA )) (( segid "RN15" and resid 179 and name HB2 )) ASSI { 244} (( segid "RN15" and resid 213 and name HA )) (( segid "RN15" and resid 213 and name HB2 )) 3.300 1.400 1.400 peak 244 spectrum 1 weight 0.10000E+01 volume 0.17736E-02 ppm1 4.051 ppm2 1.542 CV 1 OR { 244} (( segid "RN15" and resid 213 and name HA )) (( segid "RN15" and resid 218 and name HG11)) ASSI { 249} (( segid "RN15" and resid 178 and name HA )) (( segid "RN15" and resid 178 and name HB2 )) 3.300 1.300 1.300 peak 249 spectrum 1 weight 0.10000E+01 volume 0.21666E-02 ppm1 4.052 ppm2 1.469 CV 1 OR { 249} (( segid "RN15" and resid 212 and name HA )) ( segid "RN15" and resid 170 and name HB% ) ASSI { 250} (( segid "RN15" and resid 212 and name HA )) ( segid "RN15" and resid 215 and name HG2%) 2.500 0.800 0.800 peak 250 spectrum 1 weight 0.10000E+01 volume 0.27061E-02 ppm1 4.040 ppm2 1.395 CV 1 OR { 250} (( segid "RN15" and resid 178 and name HA )) (( segid "RN15" and resid 181 and name HB2 )) OR { 250} (( segid "RN15" and resid 213 and name HA )) ( segid "RN15" and resid 215 and name HG2%) OR { 250} (( segid "RN15" and resid 178 and name HA )) (( segid "RN15" and resid 174 and name HG2 )) ASSI { 255} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 169 and name HB1 )) 2.600 0.900 0.900 peak 255 spectrum 1 weight 0.10000E+01 volume 0.30500E-02 ppm1 3.863 ppm2 1.952 CV 1 OR { 255} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 169 and name HG )) OR { 255} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 212 and name HG )) OR { 255} (( segid "RN15" and resid 181 and name HA )) (( segid "RN15" and resid 212 and name HG )) ASSI { 256} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 172 and name HD1 )) 3.700 1.700 1.700 peak 256 spectrum 1 weight 0.10000E+01 volume 0.10355E-02 ppm1 3.867 ppm2 1.629 CV 1 OR { 256} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 172 and name HG1 )) OR { 256} (( segid "RN15" and resid 181 and name HA )) (( segid "RN14" and resid 662 and name HG )) OR { 256} (( segid "RN15" and resid 181 and name HA )) (( segid "RN15" and resid 183 and name HG1 )) ASSI { 259} (( segid "RN14" and resid 639 and name HA )) (( segid "RN14" and resid 639 and name HB1 )) 2.900 1.000 1.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.14329E-02 ppm1 3.833 ppm2 1.866 CV 1 OR { 259} (( segid "RN14" and resid 639 and name HA )) (( segid "RN15" and resid 205 and name HB2 )) OR { 259} (( segid "RN15" and resid 198 and name HA )) (( segid "RN15" and resid 201 and name HB2 )) OR { 259} (( segid "RN15" and resid 198 and name HA )) (( segid "RN15" and resid 199 and name HB1 )) OR { 259} (( segid "RN15" and resid 198 and name HA )) (( segid "RN15" and resid 148 and name HG )) ASSI { 260} (( segid "RN14" and resid 639 and name HA )) (( segid "RN14" and resid 639 and name HG )) 3.200 1.300 1.300 peak 260 spectrum 1 weight 0.10000E+01 volume 0.24497E-02 ppm1 3.829 ppm2 1.759 CV 1 OR { 260} (( segid "RN14" and resid 639 and name HA )) (( segid "RN14" and resid 642 and name HG11)) OR { 260} (( segid "RN14" and resid 639 and name HA )) (( segid "RN15" and resid 204 and name HB2 )) ASSI { 261} (( segid "RN14" and resid 636 and name HA )) (( segid "RN15" and resid 149 and name HG1 )) 3.500 1.500 1.500 peak 261 spectrum 1 weight 0.10000E+01 volume 0.10721E-02 ppm1 3.737 ppm2 1.986 CV 1 OR { 261} (( segid "RN14" and resid 636 and name HA )) (( segid "RN14" and resid 635 and name HB )) OR { 261} (( segid "RN14" and resid 636 and name HA )) (( segid "RN15" and resid 204 and name HG2 )) ASSI { 262} (( segid "RN15" and resid 199 and name HA )) (( segid "RN15" and resid 199 and name HB1 )) 2.800 1.000 1.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.19233E-02 ppm1 3.997 ppm2 1.885 CV 1 OR { 262} (( segid "RN15" and resid 199 and name HA )) (( segid "RN15" and resid 205 and name HB2 )) ASSI { 268} (( segid "RN15" and resid 199 and name HA )) (( segid "RN15" and resid 199 and name HB2 )) 3.300 1.300 1.300 peak 268 spectrum 1 weight 0.10000E+01 volume 0.20521E-02 ppm1 3.989 ppm2 1.575 CV 1 OR { 268} (( segid "RN15" and resid 199 and name HA )) ( segid "RN14" and resid 655 and name HB% ) ASSI { 269} (( segid "RN14" and resid 638 and name HA )) (( segid "RN14" and resid 638 and name HB2 )) 2.300 0.600 0.600 peak 269 spectrum 1 weight 0.10000E+01 volume 0.52403E-02 ppm1 4.135 ppm2 1.514 CV 1 OR { 269} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 144 and name HD1 )) OR { 269} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 198 and name HB2 )) ASSI { 272} (( segid "RN14" and resid 662 and name HA )) (( segid "RN14" and resid 662 and name HG )) 3.500 1.500 1.500 peak 272 spectrum 1 weight 0.10000E+01 volume 0.12123E-02 ppm1 3.751 ppm2 1.614 CV 1 OR { 272} (( segid "RN14" and resid 662 and name HA )) (( segid "RN14" and resid 665 and name HB1 )) ASSI { 273} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 144 and name HB1 )) 4.500 2.500 1.500 peak 273 spectrum 1 weight 0.10000E+01 volume 0.11176E-02 ppm1 4.153 ppm2 1.426 CV 1 OR { 273} (( segid "RN14" and resid 638 and name HA )) (( segid "RN14" and resid 639 and name HB2 )) OR { 273} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 148 and name HB2 )) ASSI { 274} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 141 and name HG )) 3.000 1.200 1.200 peak 274 spectrum 1 weight 0.10000E+01 volume 0.22319E-02 ppm1 4.155 ppm2 1.708 CV 1 OR { 274} (( segid "RN14" and resid 638 and name HA )) (( segid "RN14" and resid 642 and name HG11)) OR { 274} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 148 and name HB1 )) ASSI { 275} (( segid "RN15" and resid 205 and name HA )) (( segid "RN15" and resid 205 and name HG )) 3.300 1.300 1.300 peak 275 spectrum 1 weight 0.10000E+01 volume 0.11299E-02 ppm1 4.061 ppm2 1.460 CV 1 OR { 275} (( segid "RN15" and resid 205 and name HA )) (( segid "RN14" and resid 638 and name HB1 )) ASSI { 277} (( segid "RN14" and resid 652 and name HA )) ( segid "RN15" and resid 228 and name HB% ) 4.300 2.300 1.700 peak 277 spectrum 1 weight 0.10000E+01 volume 0.89191E-03 ppm1 4.343 ppm2 1.489 CV 1 OR { 277} (( segid "RN14" and resid 652 and name HA )) (( segid "RN14" and resid 653 and name HB1 )) ASSI { 282} (( segid "RN15" and resid 205 and name HA )) (( segid "RN15" and resid 205 and name HB1 )) 3.000 1.100 1.100 peak 282 spectrum 1 weight 0.10000E+01 volume 0.15671E-02 ppm1 4.059 ppm2 1.508 CV 1 OR { 282} (( segid "RN15" and resid 205 and name HA )) (( segid "RN14" and resid 638 and name HB2 )) ASSI { 283} (( segid "RN15" and resid 212 and name HA )) (( segid "RN15" and resid 212 and name HB1 )) 2.600 0.900 0.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.28795E-02 ppm1 4.049 ppm2 2.227 CV 1 OR { 283} (( segid "RN15" and resid 213 and name HA )) (( segid "RN15" and resid 213 and name HG )) OR { 283} (( segid "RN15" and resid 178 and name HA )) (( segid "RN15" and resid 182 and name HB1 )) OR { 283} (( segid "RN15" and resid 213 and name HA )) (( segid "RN15" and resid 212 and name HB1 )) OR { 283} (( segid "RN15" and resid 178 and name HA )) (( segid "RN15" and resid 181 and name HB1 )) OR { 283} (( segid "RN15" and resid 212 and name HA )) (( segid "RN15" and resid 213 and name HG )) OR { 283} (( segid "RN15" and resid 213 and name HA )) (( segid "RN15" and resid 181 and name HB1 )) ASSI { 284} (( segid "RN15" and resid 181 and name HA )) (( segid "RN15" and resid 184 and name HB1 )) 2.900 1.000 1.000 peak 284 spectrum 1 weight 0.10000E+01 volume 0.10419E-02 ppm1 3.863 ppm2 2.523 CV 1 OR { 284} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 177 and name HG1 )) ASSI { 286} (( segid "RN15" and resid 178 and name HA )) (( segid "RN15" and resid 181 and name HG )) 4.000 2.000 2.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.13582E-02 ppm1 4.044 ppm2 2.103 CV 1 OR { 286} (( segid "RN15" and resid 212 and name HA )) (( segid "RN15" and resid 181 and name HG )) OR { 286} (( segid "RN15" and resid 213 and name HA )) (( segid "RN15" and resid 181 and name HG )) OR { 286} (( segid "RN15" and resid 212 and name HA )) (( segid "RN15" and resid 211 and name HG2 )) OR { 286} (( segid "RN15" and resid 178 and name HA )) (( segid "RN14" and resid 671 and name HB )) OR { 286} (( segid "RN15" and resid 212 and name HA )) (( segid "RN15" and resid 208 and name HB )) ASSI { 287} (( segid "RN15" and resid 181 and name HA )) (( segid "RN15" and resid 181 and name HG )) 3.200 1.300 1.300 peak 287 spectrum 1 weight 0.10000E+01 volume 0.16123E-02 ppm1 3.858 ppm2 2.105 CV 1 OR { 287} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 211 and name HG1 )) OR { 287} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 211 and name HG2 )) OR { 287} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 181 and name HG )) OR { 287} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 208 and name HB )) ASSI { 288} (( segid "RN15" and resid 212 and name HA )) (( segid "RN15" and resid 212 and name HB1 )) 2.500 0.800 0.800 peak 288 spectrum 1 weight 0.10000E+01 volume 0.20767E-02 ppm1 4.042 ppm2 2.263 CV 1 OR { 288} (( segid "RN15" and resid 213 and name HA )) (( segid "RN15" and resid 212 and name HB1 )) OR { 288} (( segid "RN15" and resid 178 and name HA )) (( segid "RN15" and resid 182 and name HB2 )) ASSI { 295} (( segid "RN15" and resid 212 and name HB1 )) ( segid "RN15" and resid 181 and name HD1%) 2.100 0.500 0.500 peak 295 spectrum 1 weight 0.10000E+01 volume 0.38444E-02 ppm1 2.232 ppm2 0.928 CV 1 OR { 295} (( segid "RN15" and resid 181 and name HB1 )) ( segid "RN15" and resid 181 and name HD1%) OR { 295} (( segid "RN15" and resid 181 and name HB1 )) ( segid "RN15" and resid 218 and name HD1%) ASSI { 296} (( segid "RN15" and resid 212 and name HB1 )) ( segid "RN15" and resid 176 and name HG1%) 3.700 1.700 1.700 peak 296 spectrum 1 weight 0.10000E+01 volume 0.12041E-02 ppm1 2.224 ppm2 1.064 CV 1 OR { 296} (( segid "RN15" and resid 181 and name HB1 )) ( segid "RN14" and resid 658 and name HD2%) OR { 296} (( segid "RN15" and resid 212 and name HB1 )) ( segid "RN14" and resid 658 and name HD2%) OR { 296} (( segid "RN15" and resid 212 and name HB1 )) ( segid "RN15" and resid 221 and name HG2%) ASSI { 300} (( segid "RN15" and resid 181 and name HB1 )) ( segid "RN15" and resid 181 and name HD2%) 2.700 0.900 0.900 peak 300 spectrum 1 weight 0.10000E+01 volume 0.20698E-02 ppm1 2.238 ppm2 1.112 CV 1 OR { 300} (( segid "RN15" and resid 212 and name HB1 )) ( segid "RN15" and resid 181 and name HD2%) ASSI { 304} (( segid "RN14" and resid 653 and name HB1 )) (( segid "RN14" and resid 653 and name HB2 )) 1.900 0.400 0.400 peak 304 spectrum 1 weight 0.10000E+01 volume 0.26131E-02 ppm1 1.506 ppm2 1.089 CV 1 OR { 304} (( segid "RN15" and resid 213 and name HB2 )) ( segid "RN15" and resid 181 and name HD2%) ASSI { 306} (( segid "RN15" and resid 141 and name HB2 )) ( segid "RN15" and resid 141 and name HD1%) 2.300 0.700 0.700 peak 306 spectrum 1 weight 0.10000E+01 volume 0.11774E-01 ppm1 1.622 ppm2 0.986 CV 1 OR { 306} (( segid "RN14" and resid 652 and name HB1 )) ( segid "RN14" and resid 652 and name HD1%) OR { 306} (( segid "RN14" and resid 652 and name HB2 )) ( segid "RN14" and resid 652 and name HD1%) OR { 306} (( segid "RN15" and resid 141 and name HB2 )) ( segid "RN15" and resid 141 and name HD2%) ASSI { 307} (( segid "RN15" and resid 213 and name HB2 )) ( segid "RN15" and resid 218 and name HG2%) 4.800 2.900 1.200 peak 307 spectrum 1 weight 0.10000E+01 volume 0.12003E-02 ppm1 1.543 ppm2 1.039 CV 1 OR { 307} (( segid "RN15" and resid 213 and name HB2 )) ( segid "RN14" and resid 658 and name HD2%) ASSI { 308} (( segid "RN15" and resid 214 and name HB2 )) ( segid "RN15" and resid 213 and name HD1%) 3.700 3.700 2.300 peak 308 spectrum 1 weight 0.10000E+01 volume 0.63465E-02 ppm1 1.552 ppm2 0.936 CV 1 OR { 308} (( segid "RN15" and resid 214 and name HB2 )) ( segid "RN15" and resid 181 and name HD1%) ASSI { 309} (( segid "RN15" and resid 214 and name HB2 )) ( segid "RN15" and resid 214 and name HD2%) 3.100 1.200 1.200 peak 309 spectrum 1 weight 0.10000E+01 volume 0.46206E-02 ppm1 1.538 ppm2 0.708 CV 1 OR { 309} (( segid "RN15" and resid 213 and name HB2 )) ( segid "RN15" and resid 214 and name HD2%) ASSI { 310} (( segid "RN15" and resid 213 and name HB2 )) ( segid "RN15" and resid 224 and name HD1%) 3.100 1.200 1.200 peak 310 spectrum 1 weight 0.10000E+01 volume 0.72507E-02 ppm1 1.509 ppm2 0.801 CV 1 OR { 310} (( segid "RN15" and resid 205 and name HB1 )) ( segid "RN14" and resid 639 and name HD1%) OR { 310} (( segid "RN15" and resid 213 and name HB2 )) ( segid "RN15" and resid 214 and name HD1%) OR { 310} (( segid "RN14" and resid 653 and name HB1 )) ( segid "RN15" and resid 224 and name HD1%) OR { 310} (( segid "RN15" and resid 213 and name HB2 )) ( segid "RN14" and resid 662 and name HD2%) ASSI { 311} (( segid "RN14" and resid 662 and name HB2 )) ( segid "RN14" and resid 662 and name HD1%) 2.700 0.900 0.900 peak 311 spectrum 1 weight 0.10000E+01 volume 0.59604E-02 ppm1 1.489 ppm2 0.860 CV 1 OR { 311} (( segid "RN15" and resid 213 and name HB2 )) ( segid "RN15" and resid 213 and name HD2%) OR { 311} (( segid "RN15" and resid 205 and name HB1 )) ( segid "RN14" and resid 639 and name HD2%) ASSI { 312} (( segid "RN14" and resid 631 and name HB1 )) ( segid "RN14" and resid 636 and name HD2%) 2.900 1.100 1.100 peak 312 spectrum 1 weight 0.10000E+01 volume 0.17332E-02 ppm1 1.236 ppm2 0.746 CV 1 OR { 312} (( segid "RN15" and resid 212 and name HB2 )) ( segid "RN15" and resid 212 and name HD2%) ASSI { 315} (( segid "RN14" and resid 631 and name HB1 )) ( segid "RN14" and resid 636 and name HD1%) 4.400 2.400 1.600 peak 315 spectrum 1 weight 0.10000E+01 volume 0.13013E-02 ppm1 1.249 ppm2 0.856 CV 1 OR { 315} (( segid "RN14" and resid 631 and name HB1 )) ( segid "RN14" and resid 639 and name HD2%) ASSI { 316} (( segid "RN14" and resid 631 and name HB1 )) ( segid "RN14" and resid 635 and name HG1%) 3.600 1.600 1.600 peak 316 spectrum 1 weight 0.10000E+01 volume 0.11129E-02 ppm1 1.248 ppm2 0.623 CV 1 OR { 316} (( segid "RN14" and resid 631 and name HB1 )) ( segid "RN14" and resid 635 and name HG2%) OR { 316} (( segid "RN14" and resid 631 and name HB1 )) ( segid "RN15" and resid 148 and name HD2%) OR { 316} (( segid "RN14" and resid 631 and name HB1 )) ( segid "RN15" and resid 205 and name HD2%) ASSI { 324} (( segid "RN15" and resid 213 and name HB1 )) ( segid "RN15" and resid 213 and name HD1%) 3.200 1.300 1.300 peak 324 spectrum 1 weight 0.10000E+01 volume 0.19929E-02 ppm1 1.883 ppm2 0.920 CV 1 OR { 324} (( segid "RN15" and resid 205 and name HB2 )) ( segid "RN15" and resid 199 and name HD2%) OR { 324} (( segid "RN15" and resid 213 and name HB1 )) ( segid "RN15" and resid 181 and name HD1%) ASSI { 326} (( segid "RN15" and resid 205 and name HB2 )) ( segid "RN15" and resid 205 and name HD2%) 2.500 0.800 0.800 peak 326 spectrum 1 weight 0.10000E+01 volume 0.45551E-02 ppm1 1.879 ppm2 0.629 CV 1 OR { 326} (( segid "RN15" and resid 205 and name HB2 )) ( segid "RN15" and resid 205 and name HD1%) OR { 326} (( segid "RN15" and resid 205 and name HB2 )) ( segid "RN14" and resid 635 and name HG1%) OR { 326} (( segid "RN14" and resid 639 and name HB1 )) ( segid "RN15" and resid 148 and name HD2%) OR { 326} (( segid "RN14" and resid 639 and name HB1 )) ( segid "RN14" and resid 635 and name HG1%) OR { 326} (( segid "RN14" and resid 639 and name HB1 )) ( segid "RN15" and resid 205 and name HD1%) OR { 326} (( segid "RN14" and resid 639 and name HB1 )) ( segid "RN15" and resid 205 and name HD2%) ASSI { 329} (( segid "RN14" and resid 631 and name HB2 )) ( segid "RN15" and resid 148 and name HD2%) 4.400 2.400 1.600 peak 329 spectrum 1 weight 0.10000E+01 volume 0.13284E-02 ppm1 0.939 ppm2 0.622 CV 1 OR { 329} (( segid "RN14" and resid 631 and name HB2 )) ( segid "RN14" and resid 635 and name HG1%) OR { 329} (( segid "RN14" and resid 631 and name HB2 )) ( segid "RN14" and resid 635 and name HG2%) OR { 329} (( segid "RN14" and resid 631 and name HB2 )) ( segid "RN15" and resid 205 and name HD2%) ASSI { 330} (( segid "RN14" and resid 631 and name HB2 )) ( segid "RN14" and resid 636 and name HD1%) 4.200 2.200 1.800 peak 330 spectrum 1 weight 0.10000E+01 volume 0.90305E-03 ppm1 0.927 ppm2 0.854 CV 1 OR { 330} (( segid "RN14" and resid 631 and name HB2 )) ( segid "RN14" and resid 639 and name HD2%) ASSI { 337} (( segid "RN15" and resid 227 and name HB2 )) ( segid "RN14" and resid 653 and name HD2%) 2.300 0.600 0.600 peak 337 spectrum 1 weight 0.10000E+01 volume 0.18245E-02 ppm1 1.845 ppm2 0.711 CV 1 OR { 337} (( segid "RN15" and resid 224 and name HB1 )) ( segid "RN14" and resid 653 and name HD2%) OR { 337} (( segid "RN15" and resid 224 and name HB1 )) ( segid "RN15" and resid 214 and name HD2%) ASSI { 343} (( segid "RN15" and resid 227 and name HB2 )) ( segid "RN14" and resid 658 and name HD2%) 5.000 3.200 1.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.89500E-03 ppm1 1.860 ppm2 1.063 CV 1 OR { 343} (( segid "RN15" and resid 224 and name HB1 )) ( segid "RN14" and resid 658 and name HD2%) OR { 343} (( segid "RN15" and resid 224 and name HB1 )) ( segid "RN15" and resid 221 and name HG2%) ASSI { 345} (( segid "RN14" and resid 638 and name HB2 )) ( segid "RN14" and resid 641 and name HG2%) 4.000 2.000 2.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.23463E-02 ppm1 1.525 ppm2 0.920 CV 1 OR { 345} (( segid "RN15" and resid 198 and name HB2 )) ( segid "RN15" and resid 199 and name HD2%) ASSI { 346} (( segid "RN15" and resid 198 and name HB2 )) ( segid "RN15" and resid 141 and name HD2%) 3.800 1.800 1.800 peak 346 spectrum 1 weight 0.10000E+01 volume 0.13373E-02 ppm1 1.482 ppm2 0.975 CV 1 OR { 346} (( segid "RN15" and resid 227 and name HB1 )) ( segid "RN14" and resid 658 and name HD1%) OR { 346} (( segid "RN15" and resid 198 and name HB2 )) ( segid "RN15" and resid 141 and name HD1%) OR { 346} (( segid "RN15" and resid 178 and name HB2 )) ( segid "RN14" and resid 671 and name HG2%) OR { 346} (( segid "RN15" and resid 227 and name HB1 )) ( segid "RN15" and resid 199 and name HD1%) OR { 346} (( segid "RN15" and resid 198 and name HB2 )) ( segid "RN15" and resid 199 and name HD1%) OR { 346} (( segid "RN15" and resid 198 and name HB2 )) ( segid "RN15" and resid 201 and name HD2%) ASSI { 347} (( segid "RN15" and resid 178 and name HB2 )) ( segid "RN15" and resid 178 and name HD1%) 2.700 0.900 0.900 peak 347 spectrum 1 weight 0.10000E+01 volume 0.62208E-02 ppm1 1.484 ppm2 0.859 CV 1 OR { 347} (( segid "RN15" and resid 178 and name HB2 )) ( segid "RN15" and resid 178 and name HD2%) OR { 347} (( segid "RN14" and resid 638 and name HB1 )) ( segid "RN14" and resid 641 and name HG1%) ASSI { 352} (( segid "RN14" and resid 658 and name HB1 )) ( segid "RN15" and resid 199 and name HD1%) 3.300 1.400 1.400 peak 352 spectrum 1 weight 0.10000E+01 volume 0.10044E-02 ppm1 2.058 ppm2 1.002 CV 1 OR { 352} (( segid "RN14" and resid 658 and name HB1 )) ( segid "RN14" and resid 659 and name HG2%) ASSI { 354} (( segid "RN15" and resid 169 and name HB1 )) ( segid "RN15" and resid 212 and name HD2%) 2.500 0.800 0.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.21596E-02 ppm1 1.935 ppm2 0.748 CV 1 OR { 354} (( segid "RN14" and resid 636 and name HB1 )) ( segid "RN14" and resid 636 and name HD2%) ASSI { 357} (( segid "RN15" and resid 169 and name HB1 )) ( segid "RN15" and resid 169 and name HD2%) 3.100 1.200 1.200 peak 357 spectrum 1 weight 0.10000E+01 volume 0.13591E-02 ppm1 1.931 ppm2 0.625 CV 1 OR { 357} (( segid "RN14" and resid 636 and name HB1 )) ( segid "RN14" and resid 635 and name HG1%) OR { 357} (( segid "RN14" and resid 636 and name HB1 )) ( segid "RN15" and resid 148 and name HD2%) ASSI { 358} (( segid "RN15" and resid 169 and name HB1 )) ( segid "RN15" and resid 169 and name HD1%) 2.800 1.000 1.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.22405E-02 ppm1 1.936 ppm2 0.800 CV 1 OR { 358} (( segid "RN14" and resid 636 and name HB1 )) ( segid "RN14" and resid 639 and name HD1%) ASSI { 363} (( segid "RN15" and resid 169 and name HB1 )) (( segid "RN15" and resid 169 and name HB2 )) 2.000 0.500 0.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.19487E-02 ppm1 1.938 ppm2 1.333 CV 1 OR { 363} (( segid "RN15" and resid 169 and name HB1 )) (( segid "RN14" and resid 638 and name HG )) ASSI { 364} (( segid "RN15" and resid 198 and name HB2 )) ( segid "RN15" and resid 205 and name HD2%) 3.900 1.900 1.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.28904E-02 ppm1 1.513 ppm2 0.627 CV 1 OR { 364} (( segid "RN14" and resid 638 and name HB2 )) ( segid "RN15" and resid 169 and name HD2%) OR { 364} (( segid "RN15" and resid 198 and name HB2 )) ( segid "RN15" and resid 148 and name HD2%) OR { 364} (( segid "RN14" and resid 638 and name HB2 )) ( segid "RN14" and resid 635 and name HG1%) OR { 364} (( segid "RN14" and resid 638 and name HB2 )) ( segid "RN15" and resid 205 and name HD1%) OR { 364} (( segid "RN15" and resid 198 and name HB2 )) ( segid "RN14" and resid 635 and name HG1%) OR { 364} (( segid "RN15" and resid 198 and name HB2 )) ( segid "RN15" and resid 205 and name HD1%) ASSI { 365} (( segid "RN14" and resid 653 and name HB1 )) ( segid "RN14" and resid 653 and name HD1%) 2.500 0.800 0.800 peak 365 spectrum 1 weight 0.10000E+01 volume 0.43212E-02 ppm1 1.509 ppm2 0.652 CV 1 OR { 365} (( segid "RN15" and resid 205 and name HB1 )) ( segid "RN15" and resid 205 and name HD2%) OR { 365} (( segid "RN15" and resid 205 and name HB1 )) ( segid "RN15" and resid 205 and name HD1%) ASSI { 366} (( segid "RN14" and resid 652 and name HB1 )) ( segid "RN14" and resid 652 and name HD2%) 2.900 1.100 1.100 peak 366 spectrum 1 weight 0.10000E+01 volume 0.50109E-02 ppm1 1.638 ppm2 0.943 CV 1 OR { 366} (( segid "RN15" and resid 141 and name HB2 )) ( segid "RN15" and resid 141 and name HD2%) OR { 366} (( segid "RN14" and resid 652 and name HB2 )) ( segid "RN14" and resid 652 and name HD2%) ASSI { 377} (( segid "RN15" and resid 199 and name HG )) ( segid "RN15" and resid 205 and name HD2%) 3.900 1.900 1.900 peak 377 spectrum 1 weight 0.10000E+01 volume 0.90653E-03 ppm1 2.005 ppm2 0.625 CV 1 OR { 377} (( segid "RN15" and resid 199 and name HG )) ( segid "RN15" and resid 205 and name HD1%) OR { 377} (( segid "RN15" and resid 199 and name HG )) ( segid "RN14" and resid 635 and name HG1%) ASSI { 379} (( segid "RN14" and resid 658 and name HG )) ( segid "RN14" and resid 658 and name HD1%) 2.200 0.600 0.600 peak 379 spectrum 1 weight 0.10000E+01 volume 0.10558E-01 ppm1 1.594 ppm2 0.987 CV 1 OR { 379} (( segid "RN14" and resid 652 and name HG )) ( segid "RN14" and resid 652 and name HD1%) OR { 379} (( segid "RN14" and resid 658 and name HG )) ( segid "RN15" and resid 199 and name HD1%) ASSI { 380} (( segid "RN14" and resid 652 and name HG )) ( segid "RN14" and resid 652 and name HD2%) 2.200 0.600 0.600 peak 380 spectrum 1 weight 0.10000E+01 volume 0.88123E-02 ppm1 1.599 ppm2 0.942 CV 1 OR { 380} (( segid "RN14" and resid 658 and name HG )) ( segid "RN14" and resid 658 and name HD1%) ASSI { 381} (( segid "RN15" and resid 178 and name HG )) ( segid "RN15" and resid 181 and name HD1%) 4.500 2.600 1.500 peak 381 spectrum 1 weight 0.10000E+01 volume 0.98662E-03 ppm1 1.864 ppm2 0.931 CV 1 OR { 381} (( segid "RN15" and resid 178 and name HG )) ( segid "RN14" and resid 671 and name HG1%) OR { 381} (( segid "RN15" and resid 178 and name HG )) ( segid "RN15" and resid 218 and name HD1%) ASSI { 384} (( segid "RN14" and resid 638 and name HG )) ( segid "RN14" and resid 639 and name HD2%) 3.600 1.700 1.700 peak 384 spectrum 1 weight 0.10000E+01 volume 0.25665E-02 ppm1 1.357 ppm2 0.867 CV 1 OR { 384} (( segid "RN14" and resid 638 and name HG )) ( segid "RN14" and resid 642 and name HG2%) OR { 384} (( segid "RN14" and resid 638 and name HG )) ( segid "RN14" and resid 641 and name HG1%) OR { 384} (( segid "RN14" and resid 638 and name HG )) ( segid "RN15" and resid 165 and name HG2%) ASSI { 390} (( segid "RN15" and resid 205 and name HG )) ( segid "RN15" and resid 199 and name HD2%) 2.300 0.600 0.600 peak 390 spectrum 1 weight 0.10000E+01 volume 0.28268E-02 ppm1 1.467 ppm2 0.922 CV 1 OR { 390} (( segid "RN14" and resid 636 and name HG )) (( segid "RN14" and resid 631 and name HB2 )) ASSI { 391} (( segid "RN15" and resid 205 and name HG )) ( segid "RN15" and resid 205 and name HD1%) 2.000 0.500 0.500 peak 391 spectrum 1 weight 0.10000E+01 volume 0.76962E-02 ppm1 1.457 ppm2 0.632 CV 1 OR { 391} (( segid "RN15" and resid 205 and name HG )) ( segid "RN15" and resid 205 and name HD2%) OR { 391} (( segid "RN15" and resid 205 and name HG )) ( segid "RN14" and resid 635 and name HG1%) ASSI { 392} (( segid "RN15" and resid 181 and name HG )) ( segid "RN15" and resid 181 and name HD1%) 2.200 0.600 0.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.37556E-02 ppm1 2.107 ppm2 0.927 CV 1 OR { 392} (( segid "RN15" and resid 181 and name HG )) ( segid "RN15" and resid 213 and name HD1%) ASSI { 393} (( segid "RN15" and resid 181 and name HG )) ( segid "RN15" and resid 212 and name HD1%) 2.900 1.100 1.100 peak 393 spectrum 1 weight 0.10000E+01 volume 0.11122E-02 ppm1 2.104 ppm2 0.691 CV 1 OR { 393} (( segid "RN15" and resid 181 and name HG )) ( segid "RN15" and resid 208 and name HG1%) ASSI { 395} (( segid "RN15" and resid 214 and name HG )) ( segid "RN15" and resid 214 and name HD1%) 2.000 0.500 0.500 peak 395 spectrum 1 weight 0.10000E+01 volume 0.10932E-01 ppm1 1.755 ppm2 0.803 CV 1 OR { 395} (( segid "RN14" and resid 639 and name HG )) ( segid "RN14" and resid 639 and name HD1%) OR { 395} (( segid "RN15" and resid 214 and name HG )) ( segid "RN15" and resid 224 and name HD1%) ASSI { 397} (( segid "RN15" and resid 213 and name HG )) ( segid "RN15" and resid 213 and name HD2%) 2.600 0.800 0.800 peak 397 spectrum 1 weight 0.10000E+01 volume 0.26168E-02 ppm1 2.209 ppm2 0.862 CV 1 OR { 397} (( segid "RN15" and resid 213 and name HG )) ( segid "RN14" and resid 662 and name HD1%) ASSI { 398} (( segid "RN15" and resid 169 and name HG )) ( segid "RN15" and resid 165 and name HG2%) 3.200 1.300 1.300 peak 398 spectrum 1 weight 0.10000E+01 volume 0.17949E-02 ppm1 1.956 ppm2 0.891 CV 1 OR { 398} (( segid "RN15" and resid 169 and name HG )) ( segid "RN14" and resid 642 and name HG2%) OR { 398} (( segid "RN15" and resid 169 and name HG )) ( segid "RN14" and resid 641 and name HG2%) OR { 398} (( segid "RN15" and resid 169 and name HG )) ( segid "RN15" and resid 165 and name HD1%) ASSI { 406} ( segid "RN14" and resid 638 and name HD2%) ( segid "RN15" and resid 169 and name HD1%) 2.400 2.400 3.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.27597E-02 ppm1 0.304 ppm2 0.801 CV 1 OR { 406} ( segid "RN14" and resid 638 and name HD2%) ( segid "RN14" and resid 639 and name HD1%) ASSI { 407} ( segid "RN14" and resid 638 and name HD2%) ( segid "RN14" and resid 641 and name HG2%) 2.300 2.300 3.700 peak 407 spectrum 1 weight 0.10000E+01 volume 0.36157E-02 ppm1 0.296 ppm2 0.915 CV 1 OR { 407} ( segid "RN14" and resid 638 and name HD2%) ( segid "RN15" and resid 181 and name HD1%) OR { 407} ( segid "RN14" and resid 638 and name HD2%) ( segid "RN15" and resid 165 and name HG2%) OR { 407} ( segid "RN14" and resid 638 and name HD2%) ( segid "RN15" and resid 199 and name HD2%) ASSI { 408} ( segid "RN14" and resid 638 and name HD2%) ( segid "RN14" and resid 639 and name HD2%) 2.300 2.300 3.700 peak 408 spectrum 1 weight 0.10000E+01 volume 0.42711E-02 ppm1 0.292 ppm2 0.873 CV 1 OR { 408} ( segid "RN14" and resid 638 and name HD2%) ( segid "RN14" and resid 642 and name HG2%) OR { 408} ( segid "RN14" and resid 638 and name HD2%) ( segid "RN14" and resid 641 and name HG1%) OR { 408} ( segid "RN14" and resid 638 and name HD2%) ( segid "RN15" and resid 165 and name HG2%) ASSI { 409} ( segid "RN14" and resid 638 and name HD2%) ( segid "RN15" and resid 208 and name HG1%) 1.900 0.500 0.500 peak 409 spectrum 1 weight 0.10000E+01 volume 0.11236E-01 ppm1 0.293 ppm2 0.704 CV 1 OR { 409} ( segid "RN14" and resid 638 and name HD2%) ( segid "RN15" and resid 212 and name HD1%) ASSI { 410} ( segid "RN14" and resid 638 and name HD2%) ( segid "RN15" and resid 169 and name HD2%) 2.500 0.800 0.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.81029E-02 ppm1 0.294 ppm2 0.628 CV 1 OR { 410} ( segid "RN14" and resid 638 and name HD2%) ( segid "RN15" and resid 205 and name HD1%) ASSI { 414} ( segid "RN14" and resid 631 and name HD1%) ( segid "RN15" and resid 148 and name HD2%) 2.000 0.500 0.500 peak 414 spectrum 1 weight 0.10000E+01 volume 0.13352E-01 ppm1 0.190 ppm2 0.622 CV 1 OR { 414} ( segid "RN14" and resid 631 and name HD1%) ( segid "RN14" and resid 635 and name HG1%) OR { 414} ( segid "RN14" and resid 631 and name HD1%) ( segid "RN15" and resid 205 and name HD2%) OR { 414} ( segid "RN14" and resid 631 and name HD1%) ( segid "RN14" and resid 635 and name HG2%) ASSI { 416} ( segid "RN14" and resid 631 and name HD1%) ( segid "RN14" and resid 639 and name HD2%) 3.700 1.700 1.700 peak 416 spectrum 1 weight 0.10000E+01 volume 0.26510E-02 ppm1 0.186 ppm2 0.854 CV 1 OR { 416} ( segid "RN14" and resid 631 and name HD1%) ( segid "RN14" and resid 636 and name HD1%) ASSI { 419} ( segid "RN14" and resid 631 and name HD2%) ( segid "RN14" and resid 639 and name HD2%) 4.000 2.000 2.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.26353E-02 ppm1 -0.072 ppm2 0.852 CV 1 OR { 419} ( segid "RN14" and resid 631 and name HD2%) ( segid "RN14" and resid 636 and name HD1%) ASSI { 422} ( segid "RN14" and resid 631 and name HD2%) ( segid "RN14" and resid 635 and name HG1%) 2.200 0.600 0.600 peak 422 spectrum 1 weight 0.10000E+01 volume 0.11636E-01 ppm1 -0.071 ppm2 0.623 CV 1 OR { 422} ( segid "RN14" and resid 631 and name HD2%) ( segid "RN14" and resid 635 and name HG2%) OR { 422} ( segid "RN14" and resid 631 and name HD2%) ( segid "RN15" and resid 205 and name HD2%) OR { 422} ( segid "RN14" and resid 631 and name HD2%) ( segid "RN15" and resid 148 and name HD2%) ASSI { 423} ( segid "RN14" and resid 638 and name HD1%) ( segid "RN14" and resid 642 and name HG2%) 3.100 1.200 1.200 peak 423 spectrum 1 weight 0.10000E+01 volume 0.84256E-02 ppm1 0.445 ppm2 0.870 CV 1 OR { 423} ( segid "RN14" and resid 638 and name HD1%) ( segid "RN14" and resid 641 and name HG1%) OR { 423} ( segid "RN14" and resid 638 and name HD1%) ( segid "RN15" and resid 165 and name HG2%) ASSI { 424} ( segid "RN15" and resid 224 and name HD2%) ( segid "RN15" and resid 210 and name HB% ) 2.100 0.500 0.500 peak 424 spectrum 1 weight 0.10000E+01 volume 0.10183E-01 ppm1 0.445 ppm2 1.357 CV 1 OR { 424} ( segid "RN14" and resid 638 and name HD1%) (( segid "RN14" and resid 638 and name HG )) OR { 424} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN15" and resid 224 and name HB2 )) ASSI { 425} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN15" and resid 227 and name HG )) 2.000 0.500 0.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.10391E-01 ppm1 0.586 ppm2 1.453 CV 1 OR { 425} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN15" and resid 227 and name HB1 )) OR { 425} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN14" and resid 662 and name HB2 )) ASSI { 426} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN14" and resid 658 and name HG )) 4.100 2.100 1.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.28787E-02 ppm1 0.577 ppm2 1.608 CV 1 OR { 426} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN14" and resid 665 and name HB1 )) ASSI { 430} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN15" and resid 224 and name HB1 )) 2.500 0.800 0.800 peak 430 spectrum 1 weight 0.10000E+01 volume 0.44005E-02 ppm1 0.447 ppm2 1.844 CV 1 OR { 430} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN15" and resid 227 and name HB2 )) ASSI { 431} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN15" and resid 214 and name HG )) 4.000 2.000 2.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.10055E-02 ppm1 0.449 ppm2 1.745 CV 1 OR { 431} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN15" and resid 225 and name HG11)) OR { 431} ( segid "RN15" and resid 224 and name HD2%) (( segid "RN15" and resid 226 and name HB2 )) ASSI { 432} ( segid "RN15" and resid 224 and name HD2%) ( segid "RN15" and resid 221 and name HG1%) 5.200 3.400 0.800 peak 432 spectrum 1 weight 0.10000E+01 volume 0.89283E-03 ppm1 0.450 ppm2 1.009 CV 1 OR { 432} ( segid "RN15" and resid 224 and name HD2%) ( segid "RN15" and resid 218 and name HG2%) OR { 432} ( segid "RN15" and resid 224 and name HD2%) ( segid "RN15" and resid 199 and name HD1%) ASSI { 433} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 169 and name HG )) 2.000 0.500 0.500 peak 433 spectrum 1 weight 0.10000E+01 volume 0.91647E-02 ppm1 0.621 ppm2 1.955 CV 1 OR { 433} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 169 and name HB1 )) OR { 433} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN14" and resid 642 and name HB )) ASSI { 435} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 169 and name HB2 )) 3.300 1.300 1.300 peak 435 spectrum 1 weight 0.10000E+01 volume 0.38548E-02 ppm1 0.621 ppm2 1.335 CV 1 OR { 435} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN14" and resid 638 and name HG )) OR { 435} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN14" and resid 642 and name HG12)) ASSI { 436} ( segid "RN15" and resid 169 and name HD2%) ( segid "RN14" and resid 642 and name HG2%) 3.100 1.200 1.200 peak 436 spectrum 1 weight 0.10000E+01 volume 0.47332E-02 ppm1 0.621 ppm2 0.893 CV 1 OR { 436} ( segid "RN15" and resid 169 and name HD2%) ( segid "RN15" and resid 165 and name HG2%) OR { 436} ( segid "RN15" and resid 169 and name HD2%) ( segid "RN14" and resid 641 and name HG2%) OR { 436} ( segid "RN15" and resid 169 and name HD2%) ( segid "RN15" and resid 165 and name HD1%) ASSI { 441} ( segid "RN14" and resid 662 and name HD1%) ( segid "RN14" and resid 666 and name HG1%) 2.200 0.600 0.600 peak 441 spectrum 1 weight 0.10000E+01 volume 0.10073E-01 ppm1 0.859 ppm2 0.543 CV 1 OR { 441} ( segid "RN14" and resid 639 and name HD2%) ( segid "RN14" and resid 642 and name HD1%) ASSI { 443} ( segid "RN15" and resid 213 and name HD1%) ( segid "RN14" and resid 666 and name HG1%) 3.300 1.300 1.300 peak 443 spectrum 1 weight 0.10000E+01 volume 0.26164E-02 ppm1 0.936 ppm2 0.549 CV 1 OR { 443} ( segid "RN15" and resid 213 and name HD1%) ( segid "RN15" and resid 227 and name HD2%) OR { 443} ( segid "RN15" and resid 181 and name HD1%) ( segid "RN14" and resid 666 and name HG1%) ASSI { 445} (( segid "RN14" and resid 631 and name HG )) ( segid "RN15" and resid 148 and name HD2%) 4.000 2.000 2.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.21304E-02 ppm1 1.129 ppm2 0.624 CV 1 OR { 445} (( segid "RN14" and resid 631 and name HG )) ( segid "RN14" and resid 635 and name HG1%) OR { 445} (( segid "RN14" and resid 631 and name HG )) ( segid "RN15" and resid 205 and name HD2%) OR { 445} (( segid "RN14" and resid 631 and name HG )) ( segid "RN14" and resid 635 and name HG2%) ASSI { 446} ( segid "RN14" and resid 658 and name HD2%) ( segid "RN14" and resid 653 and name HD2%) 2.500 2.500 3.500 peak 446 spectrum 1 weight 0.10000E+01 volume 0.21971E-02 ppm1 1.059 ppm2 0.702 CV 1 OR { 446} ( segid "RN14" and resid 658 and name HD2%) ( segid "RN15" and resid 208 and name HG1%) ASSI { 448} ( segid "RN15" and resid 212 and name HD1%) ( segid "RN15" and resid 181 and name HD1%) 3.300 1.300 1.300 peak 448 spectrum 1 weight 0.10000E+01 volume 0.36451E-02 ppm1 0.689 ppm2 0.925 CV 1 OR { 448} ( segid "RN15" and resid 212 and name HD1%) ( segid "RN14" and resid 641 and name HG2%) ASSI { 449} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN15" and resid 181 and name HD1%) 2.000 0.500 0.500 peak 449 spectrum 1 weight 0.10000E+01 volume 0.18088E-01 ppm1 1.111 ppm2 0.928 CV 1 OR { 449} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN15" and resid 213 and name HD1%) ASSI { 450} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN15" and resid 213 and name HD2%) 2.700 0.900 0.900 peak 450 spectrum 1 weight 0.10000E+01 volume 0.76454E-02 ppm1 1.111 ppm2 0.860 CV 1 OR { 450} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN14" and resid 662 and name HD1%) OR { 450} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN15" and resid 178 and name HD2%) OR { 450} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN14" and resid 639 and name HD2%) ASSI { 451} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN14" and resid 662 and name HD2%) 3.800 1.800 1.800 peak 451 spectrum 1 weight 0.10000E+01 volume 0.19664E-02 ppm1 1.113 ppm2 0.791 CV 1 OR { 451} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN15" and resid 169 and name HD1%) OR { 451} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN14" and resid 639 and name HD1%) ASSI { 452} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN15" and resid 212 and name HD1%) 2.500 0.800 0.800 peak 452 spectrum 1 weight 0.10000E+01 volume 0.50280E-02 ppm1 1.113 ppm2 0.690 CV 1 OR { 452} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN15" and resid 208 and name HG1%) ASSI { 453} ( segid "RN14" and resid 638 and name HD1%) ( segid "RN15" and resid 212 and name HD1%) 3.100 1.200 1.200 peak 453 spectrum 1 weight 0.10000E+01 volume 0.55697E-02 ppm1 0.442 ppm2 0.698 CV 1 OR { 453} ( segid "RN14" and resid 638 and name HD1%) ( segid "RN15" and resid 208 and name HG1%) ASSI { 454} ( segid "RN15" and resid 224 and name HD2%) ( segid "RN15" and resid 213 and name HD1%) 2.700 0.900 0.900 peak 454 spectrum 1 weight 0.10000E+01 volume 0.56717E-02 ppm1 0.446 ppm2 0.951 CV 1 OR { 454} ( segid "RN15" and resid 224 and name HD2%) ( segid "RN14" and resid 658 and name HD1%) ASSI { 457} ( segid "RN15" and resid 198 and name HD2%) ( segid "RN15" and resid 195 and name HB% ) 4.400 2.500 1.600 peak 457 spectrum 1 weight 0.10000E+01 volume 0.16201E-02 ppm1 0.690 ppm2 1.396 CV 1 OR { 457} ( segid "RN15" and resid 198 and name HD2%) (( segid "RN14" and resid 639 and name HB2 )) ASSI { 459} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 212 and name HG )) 2.200 0.600 0.600 peak 459 spectrum 1 weight 0.10000E+01 volume 0.46925E-02 ppm1 0.689 ppm2 1.928 CV 1 OR { 459} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 169 and name HB1 )) ASSI { 460} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 177 and name HB2 )) 3.500 1.500 1.500 peak 460 spectrum 1 weight 0.10000E+01 volume 0.17334E-02 ppm1 0.688 ppm2 2.002 CV 1 OR { 460} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 204 and name HG2 )) OR { 460} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN14" and resid 635 and name HB )) ASSI { 461} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 181 and name HG )) 2.500 0.800 0.800 peak 461 spectrum 1 weight 0.10000E+01 volume 0.24292E-02 ppm1 0.688 ppm2 2.104 CV 1 OR { 461} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 208 and name HB )) ASSI { 463} ( segid "RN14" and resid 658 and name HD2%) (( segid "RN14" and resid 658 and name HB2 )) 2.500 0.800 0.800 peak 463 spectrum 1 weight 0.10000E+01 volume 0.50005E-02 ppm1 1.058 ppm2 1.367 CV 1 OR { 463} ( segid "RN14" and resid 658 and name HD2%) ( segid "RN15" and resid 210 and name HB% ) ASSI { 465} ( segid "RN15" and resid 224 and name HD1%) ( segid "RN15" and resid 210 and name HB% ) 1.800 0.400 0.400 peak 465 spectrum 1 weight 0.10000E+01 volume 0.12804E-01 ppm1 0.792 ppm2 1.359 CV 1 OR { 465} ( segid "RN15" and resid 224 and name HD1%) (( segid "RN15" and resid 224 and name HB2 )) ASSI { 466} ( segid "RN14" and resid 653 and name HD1%) ( segid "RN15" and resid 210 and name HB% ) 2.000 0.500 0.500 peak 466 spectrum 1 weight 0.10000E+01 volume 0.11085E-01 ppm1 0.665 ppm2 1.360 CV 1 OR { 466} ( segid "RN14" and resid 653 and name HD1%) (( segid "RN14" and resid 658 and name HB2 )) OR { 466} ( segid "RN14" and resid 653 and name HD1%) (( segid "RN15" and resid 224 and name HB2 )) ASSI { 467} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN15" and resid 212 and name HB1 )) 1.800 0.400 0.400 peak 467 spectrum 1 weight 0.10000E+01 volume 0.11364E-01 ppm1 0.934 ppm2 2.221 CV 1 OR { 467} ( segid "RN15" and resid 213 and name HD1%) (( segid "RN15" and resid 213 and name HG )) OR { 467} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN15" and resid 181 and name HB1 )) OR { 467} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN15" and resid 213 and name HG )) ASSI { 468} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN15" and resid 181 and name HB2 )) 2.500 0.800 0.800 peak 468 spectrum 1 weight 0.10000E+01 volume 0.50488E-02 ppm1 0.937 ppm2 1.366 CV 1 OR { 468} ( segid "RN15" and resid 213 and name HD1%) ( segid "RN15" and resid 210 and name HB% ) OR { 468} ( segid "RN15" and resid 181 and name HD1%) ( segid "RN15" and resid 215 and name HG2%) OR { 468} ( segid "RN15" and resid 213 and name HD1%) (( segid "RN14" and resid 658 and name HB2 )) OR { 468} ( segid "RN15" and resid 213 and name HD1%) (( segid "RN15" and resid 224 and name HB2 )) ASSI { 469} ( segid "RN15" and resid 213 and name HD1%) ( segid "RN15" and resid 209 and name HG2%) 2.200 0.600 0.600 peak 469 spectrum 1 weight 0.10000E+01 volume 0.90705E-02 ppm1 0.939 ppm2 1.280 CV 1 OR { 469} ( segid "RN15" and resid 181 and name HD1%) ( segid "RN15" and resid 209 and name HG2%) ASSI { 470} ( segid "RN15" and resid 224 and name HD1%) (( segid "RN15" and resid 224 and name HB1 )) 2.200 0.600 0.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.90288E-02 ppm1 0.781 ppm2 1.835 CV 1 OR { 470} ( segid "RN14" and resid 662 and name HD2%) (( segid "RN15" and resid 185 and name HB2 )) ASSI { 472} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN15" and resid 227 and name HB2 )) 2.500 0.800 0.800 peak 472 spectrum 1 weight 0.10000E+01 volume 0.41940E-02 ppm1 0.379 ppm2 1.846 CV 1 OR { 472} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN15" and resid 224 and name HB1 )) OR { 472} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN14" and resid 657 and name HB1 )) ASSI { 473} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN14" and resid 658 and name HG )) 4.200 2.200 1.800 peak 473 spectrum 1 weight 0.10000E+01 volume 0.15175E-02 ppm1 0.375 ppm2 1.599 CV 1 OR { 473} ( segid "RN15" and resid 227 and name HD1%) ( segid "RN14" and resid 655 and name HB% ) OR { 473} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN14" and resid 665 and name HB1 )) ASSI { 475} ( segid "RN15" and resid 199 and name HD1%) (( segid "RN15" and resid 199 and name HB2 )) 2.500 0.800 0.800 peak 475 spectrum 1 weight 0.10000E+01 volume 0.67737E-02 ppm1 0.985 ppm2 1.523 CV 1 OR { 475} ( segid "RN15" and resid 199 and name HD1%) (( segid "RN15" and resid 205 and name HB1 )) OR { 475} ( segid "RN15" and resid 199 and name HD1%) ( segid "RN15" and resid 196 and name HB% ) ASSI { 476} ( segid "RN15" and resid 199 and name HD1%) ( segid "RN15" and resid 195 and name HB% ) 3.200 1.300 1.300 peak 476 spectrum 1 weight 0.10000E+01 volume 0.50095E-02 ppm1 0.972 ppm2 1.393 CV 1 OR { 476} ( segid "RN15" and resid 199 and name HD1%) (( segid "RN14" and resid 658 and name HB2 )) ASSI { 477} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN15" and resid 181 and name HG )) 2.100 0.500 0.500 peak 477 spectrum 1 weight 0.10000E+01 volume 0.55787E-02 ppm1 0.923 ppm2 2.109 CV 1 OR { 477} ( segid "RN15" and resid 213 and name HD1%) (( segid "RN15" and resid 181 and name HG )) OR { 477} ( segid "RN15" and resid 213 and name HD1%) (( segid "RN15" and resid 211 and name HG2 )) OR { 477} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN15" and resid 211 and name HG2 )) ASSI { 479} ( segid "RN15" and resid 224 and name HD1%) (( segid "RN15" and resid 224 and name HG )) 2.200 0.600 0.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.94223E-02 ppm1 0.795 ppm2 1.611 CV 1 OR { 479} ( segid "RN14" and resid 662 and name HD2%) (( segid "RN14" and resid 662 and name HG )) OR { 479} ( segid "RN15" and resid 214 and name HD1%) (( segid "RN15" and resid 224 and name HG )) ASSI { 481} ( segid "RN14" and resid 636 and name HD1%) (( segid "RN15" and resid 147 and name HB2 )) 2.800 1.000 1.000 peak 481 spectrum 1 weight 0.10000E+01 volume 0.77647E-02 ppm1 0.859 ppm2 2.062 CV 1 OR { 481} ( segid "RN15" and resid 178 and name HD1%) (( segid "RN14" and resid 669 and name HG2 )) OR { 481} ( segid "RN15" and resid 178 and name HD1%) (( segid "RN14" and resid 669 and name HG1 )) ASSI { 482} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 168 and name HB2 )) 3.100 1.200 1.200 peak 482 spectrum 1 weight 0.10000E+01 volume 0.89688E-02 ppm1 0.814 ppm2 2.017 CV 1 OR { 482} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 168 and name HB1 )) OR { 482} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 177 and name HB2 )) OR { 482} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN14" and resid 643 and name HG1 )) ASSI { 484} ( segid "RN15" and resid 214 and name HD1%) (( segid "RN15" and resid 214 and name HG )) 2.100 0.500 0.500 peak 484 spectrum 1 weight 0.10000E+01 volume 0.13520E-01 ppm1 0.802 ppm2 1.762 CV 1 OR { 484} ( segid "RN14" and resid 662 and name HD2%) (( segid "RN14" and resid 662 and name HB1 )) OR { 484} ( segid "RN15" and resid 214 and name HD1%) (( segid "RN15" and resid 220 and name HB1 )) ASSI { 485} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 169 and name HG )) 1.900 0.500 0.500 peak 485 spectrum 1 weight 0.10000E+01 volume 0.16343E-01 ppm1 0.812 ppm2 1.937 CV 1 OR { 485} ( segid "RN15" and resid 214 and name HD1%) (( segid "RN15" and resid 214 and name HB1 )) OR { 485} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 169 and name HB1 )) OR { 485} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 212 and name HG )) ASSI { 490} ( segid "RN15" and resid 205 and name HD2%) (( segid "RN15" and resid 199 and name HG )) 3.600 1.600 1.600 peak 490 spectrum 1 weight 0.10000E+01 volume 0.17069E-02 ppm1 0.628 ppm2 2.000 CV 1 OR { 490} ( segid "RN15" and resid 205 and name HD2%) (( segid "RN15" and resid 204 and name HG2 )) OR { 490} ( segid "RN15" and resid 205 and name HD2%) (( segid "RN14" and resid 635 and name HB )) ASSI { 493} ( segid "RN14" and resid 639 and name HD2%) (( segid "RN15" and resid 204 and name HG2 )) 2.600 0.800 0.800 peak 493 spectrum 1 weight 0.10000E+01 volume 0.59998E-02 ppm1 0.863 ppm2 1.969 CV 1 OR { 493} ( segid "RN14" and resid 662 and name HD1%) (( segid "RN15" and resid 185 and name HG2 )) OR { 493} ( segid "RN14" and resid 662 and name HD1%) (( segid "RN14" and resid 668 and name HB )) OR { 493} ( segid "RN14" and resid 662 and name HD1%) (( segid "RN15" and resid 218 and name HB )) OR { 493} ( segid "RN14" and resid 639 and name HD2%) (( segid "RN14" and resid 642 and name HB )) ASSI { 494} ( segid "RN14" and resid 636 and name HD1%) (( segid "RN15" and resid 147 and name HG1 )) 3.000 1.100 1.100 peak 494 spectrum 1 weight 0.10000E+01 volume 0.34869E-02 ppm1 0.857 ppm2 2.300 CV 1 OR { 494} ( segid "RN14" and resid 636 and name HD1%) (( segid "RN15" and resid 147 and name HG2 )) OR { 494} ( segid "RN15" and resid 178 and name HD1%) (( segid "RN15" and resid 182 and name HG2 )) ASSI { 495} ( segid "RN14" and resid 652 and name HD1%) (( segid "RN15" and resid 232 and name HB1 )) 3.000 3.000 3.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.44364E-02 ppm1 0.984 ppm2 2.143 CV 1 OR { 495} ( segid "RN14" and resid 652 and name HD1%) (( segid "RN15" and resid 232 and name HB2 )) OR { 495} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 200 and name HB1 )) OR { 495} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 149 and name HG2 )) ASSI { 496} ( segid "RN15" and resid 213 and name HD2%) (( segid "RN15" and resid 213 and name HG )) 2.200 0.600 0.600 peak 496 spectrum 1 weight 0.10000E+01 volume 0.71987E-02 ppm1 0.862 ppm2 2.217 CV 1 OR { 496} ( segid "RN15" and resid 213 and name HD2%) (( segid "RN15" and resid 181 and name HB1 )) OR { 496} ( segid "RN15" and resid 213 and name HD2%) (( segid "RN15" and resid 212 and name HB1 )) ASSI { 497} (( segid "RN15" and resid 205 and name HG )) (( segid "RN15" and resid 205 and name HB2 )) 2.800 1.000 1.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.42147E-02 ppm1 1.459 ppm2 1.871 CV 1 OR { 497} (( segid "RN15" and resid 227 and name HG )) (( segid "RN15" and resid 224 and name HB1 )) OR { 497} (( segid "RN15" and resid 205 and name HG )) (( segid "RN15" and resid 199 and name HB1 )) OR { 497} (( segid "RN15" and resid 227 and name HG )) (( segid "RN14" and resid 657 and name HB1 )) ASSI { 498} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN15" and resid 148 and name HG )) 3.900 1.900 1.900 peak 498 spectrum 1 weight 0.10000E+01 volume 0.15708E-02 ppm1 0.188 ppm2 1.833 CV 1 OR { 498} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN14" and resid 639 and name HB1 )) OR { 498} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN14" and resid 632 and name HG2 )) ASSI { 499} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN14" and resid 635 and name HB )) 3.600 1.600 1.600 peak 499 spectrum 1 weight 0.10000E+01 volume 0.21080E-02 ppm1 0.188 ppm2 2.014 CV 1 OR { 499} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN15" and resid 149 and name HG1 )) OR { 499} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN15" and resid 147 and name HB1 )) ASSI { 500} ( segid "RN14" and resid 662 and name HD1%) (( segid "RN15" and resid 185 and name HG1 )) 3.000 1.100 1.100 peak 500 spectrum 1 weight 0.10000E+01 volume 0.28858E-02 ppm1 0.861 ppm2 2.130 CV 1 OR { 500} ( segid "RN14" and resid 662 and name HD1%) (( segid "RN15" and resid 181 and name HG )) OR { 500} ( segid "RN14" and resid 662 and name HD1%) (( segid "RN14" and resid 667 and name HG2 )) ASSI { 501} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 141 and name HB1 )) 2.400 0.700 0.700 peak 501 spectrum 1 weight 0.10000E+01 volume 0.52462E-02 ppm1 0.966 ppm2 1.815 CV 1 OR { 501} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 148 and name HG )) ASSI { 502} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN15" and resid 232 and name HB2 )) 2.700 2.700 3.300 peak 502 spectrum 1 weight 0.10000E+01 volume 0.19389E-02 ppm1 0.928 ppm2 2.149 CV 1 OR { 502} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN15" and resid 232 and name HB1 )) OR { 502} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN14" and resid 643 and name HB1 )) OR { 502} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN14" and resid 656 and name HB2 )) OR { 502} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN14" and resid 659 and name HB )) ASSI { 503} ( segid "RN14" and resid 639 and name HD2%) (( segid "RN14" and resid 639 and name HG )) 2.100 0.500 0.500 peak 503 spectrum 1 weight 0.10000E+01 volume 0.11723E-01 ppm1 0.860 ppm2 1.770 CV 1 OR { 503} ( segid "RN14" and resid 662 and name HD1%) (( segid "RN14" and resid 662 and name HB1 )) OR { 503} ( segid "RN14" and resid 639 and name HD2%) (( segid "RN15" and resid 204 and name HB2 )) ASSI { 505} ( segid "RN14" and resid 662 and name HD1%) (( segid "RN14" and resid 662 and name HB2 )) 2.400 0.700 0.700 peak 505 spectrum 1 weight 0.10000E+01 volume 0.87175E-02 ppm1 0.858 ppm2 1.482 CV 1 OR { 505} ( segid "RN14" and resid 639 and name HD2%) (( segid "RN15" and resid 205 and name HB1 )) OR { 505} ( segid "RN14" and resid 639 and name HD2%) (( segid "RN15" and resid 205 and name HG )) ASSI { 507} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN14" and resid 635 and name HB )) 2.600 0.900 0.900 peak 507 spectrum 1 weight 0.10000E+01 volume 0.98313E-02 ppm1 0.744 ppm2 2.000 CV 1 OR { 507} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN15" and resid 149 and name HG1 )) OR { 507} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN15" and resid 147 and name HB1 )) ASSI { 509} ( segid "RN15" and resid 212 and name HD2%) (( segid "RN15" and resid 169 and name HB1 )) 1.900 0.500 0.500 peak 509 spectrum 1 weight 0.10000E+01 volume 0.13142E-01 ppm1 0.735 ppm2 1.927 CV 1 OR { 509} ( segid "RN15" and resid 212 and name HD2%) (( segid "RN15" and resid 212 and name HG )) OR { 509} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 214 and name HB1 )) OR { 509} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN14" and resid 636 and name HB1 )) ASSI { 510} ( segid "RN15" and resid 212 and name HD2%) ( segid "RN15" and resid 215 and name HG2%) 2.900 1.100 1.100 peak 510 spectrum 1 weight 0.10000E+01 volume 0.68720E-02 ppm1 0.733 ppm2 1.388 CV 1 OR { 510} ( segid "RN14" and resid 653 and name HD2%) (( segid "RN15" and resid 224 and name HB2 )) OR { 510} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 224 and name HB2 )) OR { 510} ( segid "RN14" and resid 653 and name HD2%) (( segid "RN14" and resid 658 and name HB2 )) OR { 510} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN14" and resid 639 and name HB2 )) ASSI { 511} ( segid "RN14" and resid 639 and name HD2%) (( segid "RN14" and resid 639 and name HB2 )) 3.100 1.200 1.200 peak 511 spectrum 1 weight 0.10000E+01 volume 0.47710E-02 ppm1 0.859 ppm2 1.424 CV 1 OR { 511} ( segid "RN14" and resid 639 and name HD2%) (( segid "RN15" and resid 205 and name HG )) ASSI { 512} ( segid "RN14" and resid 653 and name HD2%) (( segid "RN15" and resid 227 and name HB2 )) 1.800 0.400 0.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.81297E-02 ppm1 0.718 ppm2 1.844 CV 1 OR { 512} ( segid "RN14" and resid 653 and name HD2%) (( segid "RN15" and resid 224 and name HB1 )) OR { 512} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN14" and resid 639 and name HB1 )) OR { 512} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 224 and name HB1 )) ASSI { 513} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN14" and resid 636 and name HG )) 2.000 0.500 0.500 peak 513 spectrum 1 weight 0.10000E+01 volume 0.23262E-01 ppm1 0.724 ppm2 1.497 CV 1 OR { 513} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN14" and resid 636 and name HB2 )) OR { 513} ( segid "RN14" and resid 653 and name HD2%) (( segid "RN14" and resid 653 and name HB1 )) OR { 513} ( segid "RN14" and resid 653 and name HD2%) ( segid "RN15" and resid 228 and name HB% ) OR { 513} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 220 and name HG1 )) OR { 513} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 220 and name HG2 )) ASSI { 514} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 214 and name HG )) 2.100 0.500 0.500 peak 514 spectrum 1 weight 0.10000E+01 volume 0.11977E-01 ppm1 0.711 ppm2 1.755 CV 1 OR { 514} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 220 and name HB1 )) OR { 514} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 220 and name HD2 )) ASSI { 515} ( segid "RN15" and resid 205 and name HD1%) (( segid "RN15" and resid 204 and name HG2 )) 3.900 1.900 1.900 peak 515 spectrum 1 weight 0.10000E+01 volume 0.24575E-02 ppm1 0.633 ppm2 1.993 CV 1 OR { 515} ( segid "RN15" and resid 205 and name HD1%) (( segid "RN14" and resid 635 and name HB )) OR { 515} ( segid "RN15" and resid 148 and name HD2%) (( segid "RN15" and resid 149 and name HG1 )) OR { 515} ( segid "RN15" and resid 205 and name HD1%) (( segid "RN15" and resid 199 and name HG )) OR { 515} ( segid "RN15" and resid 148 and name HD2%) (( segid "RN15" and resid 147 and name HB1 )) OR { 515} ( segid "RN15" and resid 148 and name HD2%) (( segid "RN14" and resid 635 and name HB )) OR { 515} ( segid "RN15" and resid 205 and name HD1%) (( segid "RN14" and resid 642 and name HB )) ASSI { 517} ( segid "RN14" and resid 638 and name HD1%) (( segid "RN15" and resid 169 and name HG )) 3.900 1.900 1.900 peak 517 spectrum 1 weight 0.10000E+01 volume 0.21600E-02 ppm1 0.441 ppm2 1.961 CV 1 OR { 517} ( segid "RN14" and resid 638 and name HD1%) (( segid "RN14" and resid 642 and name HB )) OR { 517} ( segid "RN14" and resid 638 and name HD1%) (( segid "RN15" and resid 204 and name HG2 )) ASSI { 518} ( segid "RN14" and resid 658 and name HD1%) (( segid "RN14" and resid 662 and name HB2 )) 2.700 0.900 0.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.37754E-02 ppm1 0.959 ppm2 1.500 CV 1 OR { 518} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 198 and name HB2 )) OR { 518} ( segid "RN14" and resid 658 and name HD1%) (( segid "RN14" and resid 653 and name HB1 )) OR { 518} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN14" and resid 653 and name HG )) OR { 518} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 144 and name HD2 )) OR { 518} ( segid "RN14" and resid 652 and name HD2%) ( segid "RN15" and resid 228 and name HB% ) OR { 518} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 144 and name HD1 )) ASSI { 519} ( segid "RN15" and resid 148 and name HD2%) (( segid "RN15" and resid 148 and name HG )) 2.200 0.600 0.600 peak 519 spectrum 1 weight 0.10000E+01 volume 0.95103E-02 ppm1 0.605 ppm2 1.848 CV 1 OR { 519} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN15" and resid 227 and name HB2 )) OR { 519} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN14" and resid 657 and name HB1 )) OR { 519} ( segid "RN15" and resid 148 and name HD2%) (( segid "RN14" and resid 639 and name HB1 )) OR { 519} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN15" and resid 224 and name HB1 )) ASSI { 521} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN15" and resid 182 and name HB1 )) 4.300 2.300 1.700 peak 521 spectrum 1 weight 0.10000E+01 volume 0.16231E-02 ppm1 0.847 ppm2 2.221 CV 1 OR { 521} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN15" and resid 181 and name HB1 )) OR { 521} ( segid "RN15" and resid 178 and name HD2%) (( segid "RN15" and resid 212 and name HB1 )) ASSI { 526} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 208 and name HB )) 4.000 2.000 2.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.25477E-02 ppm1 0.618 ppm2 2.098 CV 1 OR { 526} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 211 and name HG1 )) OR { 526} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 211 and name HG2 )) OR { 526} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 181 and name HG )) ASSI { 528} (( segid "RN15" and resid 214 and name HG )) (( segid "RN15" and resid 214 and name HB2 )) 2.500 0.800 0.800 peak 528 spectrum 1 weight 0.10000E+01 volume 0.29998E-02 ppm1 1.755 ppm2 1.541 CV 1 OR { 528} (( segid "RN15" and resid 214 and name HG )) (( segid "RN15" and resid 213 and name HB2 )) OR { 528} (( segid "RN14" and resid 639 and name HG )) (( segid "RN14" and resid 638 and name HB2 )) ASSI { 531} (( segid "RN14" and resid 638 and name HG )) ( segid "RN15" and resid 169 and name HD2%) 3.500 1.500 1.500 peak 531 spectrum 1 weight 0.10000E+01 volume 0.25333E-02 ppm1 1.349 ppm2 0.630 CV 1 OR { 531} (( segid "RN14" and resid 638 and name HG )) ( segid "RN15" and resid 205 and name HD1%) OR { 531} (( segid "RN14" and resid 638 and name HG )) ( segid "RN14" and resid 635 and name HG1%) ASSI { 534} ( segid "RN14" and resid 639 and name HD1%) (( segid "RN15" and resid 205 and name HB1 )) 3.200 1.300 1.300 peak 534 spectrum 1 weight 0.10000E+01 volume 0.42286E-02 ppm1 0.800 ppm2 1.485 CV 1 OR { 534} ( segid "RN14" and resid 639 and name HD1%) (( segid "RN14" and resid 638 and name HB1 )) OR { 534} ( segid "RN15" and resid 224 and name HD1%) (( segid "RN14" and resid 653 and name HB1 )) OR { 534} ( segid "RN15" and resid 224 and name HD1%) ( segid "RN15" and resid 228 and name HB% ) ASSI { 537} (( segid "RN15" and resid 213 and name HG )) (( segid "RN15" and resid 213 and name HA )) 3.700 1.700 1.700 peak 537 spectrum 1 weight 0.10000E+01 volume 0.76454E-03 ppm1 2.208 ppm2 4.050 CV 1 OR { 537} (( segid "RN15" and resid 213 and name HG )) (( segid "RN15" and resid 212 and name HA )) OR { 537} (( segid "RN15" and resid 213 and name HG )) (( segid "RN15" and resid 211 and name HA )) ASSI { 538} (( segid "RN15" and resid 213 and name HG )) (( segid "RN15" and resid 210 and name HA )) 3.900 1.900 1.900 peak 538 spectrum 1 weight 0.10000E+01 volume 0.75197E-03 ppm1 2.211 ppm2 3.853 CV 1 OR { 538} (( segid "RN15" and resid 213 and name HG )) (( segid "RN15" and resid 181 and name HA )) ASSI { 539} (( segid "RN15" and resid 181 and name HG )) (( segid "RN15" and resid 178 and name HA )) 4.700 2.700 1.300 peak 539 spectrum 1 weight 0.10000E+01 volume 0.57724E-03 ppm1 2.106 ppm2 4.050 CV 1 OR { 539} (( segid "RN15" and resid 181 and name HG )) (( segid "RN15" and resid 212 and name HA )) OR { 539} (( segid "RN15" and resid 181 and name HG )) (( segid "RN14" and resid 669 and name HD2 )) OR { 539} (( segid "RN15" and resid 181 and name HG )) (( segid "RN15" and resid 213 and name HA )) ASSI { 540} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN15" and resid 195 and name HA )) 3.200 3.200 2.800 peak 540 spectrum 1 weight 0.10000E+01 volume 0.51788E-03 ppm1 -0.071 ppm2 4.402 CV 1 OR { 540} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 629 and name HA )) ASSI { 541} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN15" and resid 149 and name HD1 )) 5.600 3.900 0.400 peak 541 spectrum 1 weight 0.10000E+01 volume 0.38311E-03 ppm1 -0.074 ppm2 3.909 CV 1 OR { 541} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN15" and resid 180 and name HA )) ASSI { 544} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN15" and resid 145 and name HB2 )) 4.300 2.300 1.700 peak 544 spectrum 1 weight 0.10000E+01 volume 0.61757E-03 ppm1 -0.072 ppm2 2.849 CV 1 OR { 544} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN15" and resid 202 and name HB1 )) OR { 544} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN15" and resid 204 and name HG1 )) ASSI { 546} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 636 and name HG )) 4.000 2.000 2.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.14991E-02 ppm1 -0.072 ppm2 1.493 CV 1 OR { 546} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN15" and resid 205 and name HB1 )) OR { 546} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 636 and name HB2 )) OR { 546} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 638 and name HB1 )) ASSI { 549} ( segid "RN15" and resid 148 and name HD1%) (( segid "RN15" and resid 145 and name HA )) 4.500 2.600 1.500 peak 549 spectrum 1 weight 0.10000E+01 volume 0.11776E-02 ppm1 0.744 ppm2 5.026 CV 1 OR { 549} ( segid "RN15" and resid 148 and name HD1%) (( segid "RN15" and resid 202 and name HA )) ASSI { 553} (( segid "RN15" and resid 213 and name HA )) (( segid "RN15" and resid 216 and name HB1 )) 4.400 2.500 1.600 peak 553 spectrum 1 weight 0.10000E+01 volume 0.58735E-03 ppm1 4.048 ppm2 2.693 CV 1 OR { 553} (( segid "RN15" and resid 212 and name HA )) (( segid "RN15" and resid 216 and name HB1 )) OR { 553} (( segid "RN15" and resid 178 and name HA )) (( segid "RN15" and resid 216 and name HB1 )) ASSI { 554} (( segid "RN15" and resid 213 and name HA )) (( segid "RN15" and resid 216 and name HB2 )) 4.300 2.300 1.700 peak 554 spectrum 1 weight 0.10000E+01 volume 0.51366E-03 ppm1 4.038 ppm2 2.853 CV 1 OR { 554} (( segid "RN15" and resid 178 and name HA )) (( segid "RN15" and resid 216 and name HB2 )) OR { 554} (( segid "RN15" and resid 212 and name HA )) (( segid "RN15" and resid 216 and name HB2 )) OR { 554} (( segid "RN15" and resid 213 and name HA )) (( segid "RN15" and resid 219 and name HB2 )) ASSI { 555} (( segid "RN15" and resid 178 and name HA )) (( segid "RN15" and resid 177 and name HG1 )) 4.700 2.800 1.300 peak 555 spectrum 1 weight 0.10000E+01 volume 0.39578E-03 ppm1 4.047 ppm2 2.531 CV 1 OR { 555} (( segid "RN15" and resid 212 and name HA )) (( segid "RN15" and resid 177 and name HG1 )) ASSI { 557} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 172 and name HE2 )) 4.500 2.500 1.500 peak 557 spectrum 1 weight 0.10000E+01 volume 0.36191E-03 ppm1 3.864 ppm2 2.786 CV 1 OR { 557} (( segid "RN15" and resid 181 and name HA )) (( segid "RN14" and resid 632 and name HD2 )) ASSI { 559} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 145 and name HB2 )) 2.900 1.000 1.000 peak 559 spectrum 1 weight 0.10000E+01 volume 0.96263E-03 ppm1 4.152 ppm2 2.860 CV 1 OR { 559} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 144 and name HE2 )) ASSI { 560} (( segid "RN15" and resid 199 and name HA )) (( segid "RN15" and resid 202 and name HB1 )) 4.700 2.800 1.300 peak 560 spectrum 1 weight 0.10000E+01 volume 0.66207E-03 ppm1 3.986 ppm2 2.869 CV 1 OR { 560} (( segid "RN15" and resid 199 and name HA )) (( segid "RN15" and resid 204 and name HG1 )) ASSI { 562} (( segid "RN14" and resid 658 and name HA )) (( segid "RN15" and resid 227 and name HB1 )) 4.300 2.300 1.700 peak 562 spectrum 1 weight 0.10000E+01 volume 0.55674E-03 ppm1 4.268 ppm2 1.455 CV 1 OR { 562} (( segid "RN14" and resid 658 and name HA )) (( segid "RN15" and resid 227 and name HG )) OR { 562} (( segid "RN14" and resid 658 and name HA )) (( segid "RN14" and resid 662 and name HB2 )) ASSI { 565} (( segid "RN15" and resid 148 and name HA )) ( segid "RN14" and resid 636 and name HD1%) 5.100 3.300 0.900 peak 565 spectrum 1 weight 0.10000E+01 volume 0.55777E-03 ppm1 4.263 ppm2 0.856 CV 1 OR { 565} (( segid "RN15" and resid 148 and name HA )) ( segid "RN14" and resid 639 and name HD2%) ASSI { 566} (( segid "RN14" and resid 631 and name HA )) ( segid "RN14" and resid 635 and name HG2%) 4.700 2.800 1.300 peak 566 spectrum 1 weight 0.10000E+01 volume 0.10397E-02 ppm1 3.375 ppm2 0.623 CV 1 OR { 566} (( segid "RN14" and resid 631 and name HA )) ( segid "RN14" and resid 635 and name HG1%) OR { 566} (( segid "RN14" and resid 631 and name HA )) ( segid "RN15" and resid 205 and name HD2%) OR { 566} (( segid "RN14" and resid 631 and name HA )) ( segid "RN15" and resid 148 and name HD2%) ASSI { 568} (( segid "RN15" and resid 224 and name HA )) ( segid "RN14" and resid 658 and name HD1%) 5.500 3.700 0.500 peak 568 spectrum 1 weight 0.10000E+01 volume 0.41684E-03 ppm1 4.021 ppm2 0.949 CV 1 OR { 568} (( segid "RN15" and resid 224 and name HA )) ( segid "RN15" and resid 213 and name HD1%) OR { 568} (( segid "RN15" and resid 224 and name HA )) ( segid "RN15" and resid 225 and name HG2%) ASSI { 569} (( segid "RN15" and resid 212 and name HB1 )) ( segid "RN15" and resid 169 and name HD1%) 5.100 3.300 0.900 peak 569 spectrum 1 weight 0.10000E+01 volume 0.62585E-03 ppm1 2.246 ppm2 0.798 CV 1 OR { 569} (( segid "RN15" and resid 212 and name HB1 )) ( segid "RN15" and resid 214 and name HD1%) OR { 569} (( segid "RN15" and resid 212 and name HB1 )) ( segid "RN14" and resid 662 and name HD2%) ASSI { 573} (( segid "RN15" and resid 213 and name HB1 )) (( segid "RN15" and resid 219 and name HB2 )) 3.100 1.200 1.200 peak 573 spectrum 1 weight 0.10000E+01 volume 0.88386E-03 ppm1 1.876 ppm2 2.867 CV 1 OR { 573} (( segid "RN15" and resid 205 and name HB2 )) (( segid "RN15" and resid 204 and name HG1 )) OR { 573} (( segid "RN15" and resid 205 and name HB2 )) (( segid "RN15" and resid 202 and name HB1 )) OR { 573} (( segid "RN14" and resid 639 and name HB1 )) (( segid "RN15" and resid 204 and name HG1 )) OR { 573} (( segid "RN15" and resid 213 and name HB1 )) (( segid "RN15" and resid 223 and name HB2 )) ASSI { 574} (( segid "RN14" and resid 639 and name HB1 )) (( segid "RN14" and resid 639 and name HA )) 3.300 1.400 1.400 peak 574 spectrum 1 weight 0.10000E+01 volume 0.73512E-03 ppm1 1.873 ppm2 3.826 CV 1 OR { 574} (( segid "RN15" and resid 205 and name HB2 )) (( segid "RN14" and resid 639 and name HA )) OR { 574} (( segid "RN15" and resid 213 and name HB1 )) (( segid "RN15" and resid 210 and name HA )) OR { 574} (( segid "RN15" and resid 224 and name HB1 )) (( segid "RN15" and resid 210 and name HA )) ASSI { 575} (( segid "RN14" and resid 639 and name HB1 )) (( segid "RN14" and resid 636 and name HA )) 4.900 3.100 1.100 peak 575 spectrum 1 weight 0.10000E+01 volume 0.65407E-03 ppm1 1.873 ppm2 3.735 CV 1 OR { 575} (( segid "RN15" and resid 205 and name HB2 )) (( segid "RN15" and resid 206 and name HB1 )) OR { 575} (( segid "RN15" and resid 205 and name HB2 )) (( segid "RN14" and resid 636 and name HA )) OR { 575} (( segid "RN15" and resid 213 and name HB1 )) (( segid "RN14" and resid 662 and name HA )) ASSI { 576} (( segid "RN15" and resid 181 and name HB2 )) (( segid "RN15" and resid 178 and name HA )) 3.600 1.600 1.600 peak 576 spectrum 1 weight 0.10000E+01 volume 0.66326E-03 ppm1 1.396 ppm2 4.055 CV 1 OR { 576} (( segid "RN15" and resid 181 and name HB2 )) (( segid "RN14" and resid 669 and name HD2 )) OR { 576} (( segid "RN15" and resid 181 and name HB2 )) (( segid "RN15" and resid 213 and name HA )) OR { 576} (( segid "RN15" and resid 181 and name HB2 )) (( segid "RN15" and resid 212 and name HA )) ASSI { 578} (( segid "RN15" and resid 213 and name HB2 )) (( segid "RN15" and resid 210 and name HA )) 3.400 1.500 1.500 peak 578 spectrum 1 weight 0.10000E+01 volume 0.87512E-03 ppm1 1.519 ppm2 3.851 CV 1 OR { 578} (( segid "RN15" and resid 205 and name HB1 )) (( segid "RN14" and resid 639 and name HA )) OR { 578} (( segid "RN15" and resid 214 and name HB2 )) (( segid "RN15" and resid 210 and name HA )) OR { 578} (( segid "RN14" and resid 653 and name HB1 )) (( segid "RN15" and resid 210 and name HA )) ASSI { 579} (( segid "RN15" and resid 198 and name HB2 )) (( segid "RN15" and resid 198 and name HA )) 3.000 1.100 1.100 peak 579 spectrum 1 weight 0.10000E+01 volume 0.75328E-03 ppm1 1.491 ppm2 3.806 CV 1 OR { 579} (( segid "RN14" and resid 638 and name HB1 )) (( segid "RN14" and resid 639 and name HA )) ASSI { 580} (( segid "RN14" and resid 639 and name HB1 )) (( segid "RN15" and resid 149 and name HD1 )) 4.800 2.800 1.200 peak 580 spectrum 1 weight 0.10000E+01 volume 0.49749E-03 ppm1 1.870 ppm2 3.917 CV 1 OR { 580} (( segid "RN15" and resid 224 and name HB1 )) (( segid "RN15" and resid 225 and name HA )) OR { 580} (( segid "RN15" and resid 205 and name HB2 )) (( segid "RN14" and resid 655 and name HA )) ASSI { 583} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 177 and name HG2 )) 5.300 3.500 0.700 peak 583 spectrum 1 weight 0.10000E+01 volume 0.64179E-03 ppm1 0.689 ppm2 2.658 CV 1 OR { 583} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 216 and name HB1 )) ASSI { 584} (( segid "RN15" and resid 224 and name HG )) (( segid "RN15" and resid 223 and name HB2 )) 3.700 1.700 1.700 peak 584 spectrum 1 weight 0.10000E+01 volume 0.72393E-03 ppm1 1.589 ppm2 2.908 CV 1 OR { 584} (( segid "RN14" and resid 662 and name HG )) (( segid "RN14" and resid 663 and name HB2 )) OR { 584} (( segid "RN14" and resid 652 and name HG )) (( segid "RN14" and resid 651 and name HB2 )) OR { 584} (( segid "RN14" and resid 652 and name HG )) (( segid "RN14" and resid 648 and name HB2 )) ASSI { 585} (( segid "RN15" and resid 227 and name HG )) (( segid "RN15" and resid 223 and name HB2 )) 5.100 3.200 0.900 peak 585 spectrum 1 weight 0.10000E+01 volume 0.59969E-03 ppm1 1.459 ppm2 2.869 CV 1 OR { 585} (( segid "RN15" and resid 227 and name HG )) (( segid "RN15" and resid 219 and name HB2 )) OR { 585} (( segid "RN15" and resid 205 and name HG )) (( segid "RN15" and resid 202 and name HB1 )) OR { 585} (( segid "RN15" and resid 205 and name HG )) (( segid "RN15" and resid 204 and name HG1 )) ASSI { 586} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 204 and name HG1 )) 5.100 3.300 0.900 peak 586 spectrum 1 weight 0.10000E+01 volume 0.12577E-02 ppm1 0.619 ppm2 2.857 CV 1 OR { 586} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 216 and name HB2 )) ASSI { 587} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN15" and resid 195 and name HA )) 3.200 3.200 2.800 peak 587 spectrum 1 weight 0.10000E+01 volume 0.51468E-03 ppm1 0.189 ppm2 4.399 CV 1 OR { 587} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN14" and resid 629 and name HA )) ASSI { 589} (( segid "RN15" and resid 169 and name HG )) (( segid "RN15" and resid 169 and name HB2 )) 3.300 1.300 1.300 peak 589 spectrum 1 weight 0.10000E+01 volume 0.94246E-03 ppm1 1.953 ppm2 1.337 CV 1 OR { 589} (( segid "RN15" and resid 212 and name HG )) (( segid "RN15" and resid 169 and name HB2 )) OR { 589} (( segid "RN15" and resid 169 and name HG )) (( segid "RN14" and resid 638 and name HG )) OR { 589} (( segid "RN15" and resid 212 and name HG )) (( segid "RN14" and resid 638 and name HG )) ASSI { 591} (( segid "RN14" and resid 636 and name HG )) ( segid "RN14" and resid 631 and name HD1%) 4.900 3.000 1.100 peak 591 spectrum 1 weight 0.10000E+01 volume 0.53771E-03 ppm1 1.477 ppm2 0.189 CV 1 OR { 591} (( segid "RN15" and resid 205 and name HG )) ( segid "RN14" and resid 631 and name HD1%) ASSI { 592} (( segid "RN14" and resid 636 and name HG )) ( segid "RN14" and resid 631 and name HD2%) 5.000 3.100 1.000 peak 592 spectrum 1 weight 0.10000E+01 volume 0.65984E-03 ppm1 1.480 ppm2 -0.070 CV 1 OR { 592} (( segid "RN15" and resid 205 and name HG )) ( segid "RN14" and resid 631 and name HD2%) ASSI { 594} (( segid "RN15" and resid 205 and name HB2 )) ( segid "RN14" and resid 639 and name HD2%) 2.400 0.700 0.700 peak 594 spectrum 1 weight 0.10000E+01 volume 0.29949E-02 ppm1 1.881 ppm2 0.869 CV 1 OR { 594} (( segid "RN15" and resid 213 and name HB1 )) ( segid "RN15" and resid 213 and name HD2%) OR { 594} (( segid "RN14" and resid 639 and name HB1 )) ( segid "RN14" and resid 639 and name HD2%) ASSI { 596} (( segid "RN15" and resid 181 and name HB1 )) (( segid "RN15" and resid 181 and name HG )) 3.200 1.300 1.300 peak 596 spectrum 1 weight 0.10000E+01 volume 0.87603E-03 ppm1 2.226 ppm2 2.104 CV 1 OR { 596} (( segid "RN15" and resid 212 and name HB1 )) (( segid "RN15" and resid 181 and name HG )) OR { 596} (( segid "RN15" and resid 181 and name HB1 )) (( segid "RN15" and resid 185 and name HG1 )) ASSI { 597} (( segid "RN15" and resid 212 and name HB1 )) (( segid "RN15" and resid 212 and name HG )) 3.500 1.600 1.600 peak 597 spectrum 1 weight 0.10000E+01 volume 0.77876E-03 ppm1 2.257 ppm2 1.932 CV 1 OR { 597} (( segid "RN15" and resid 212 and name HB1 )) (( segid "RN15" and resid 169 and name HB1 )) OR { 597} (( segid "RN15" and resid 212 and name HB1 )) (( segid "RN15" and resid 169 and name HG )) ASSI { 598} (( segid "RN15" and resid 227 and name HB2 )) (( segid "RN15" and resid 227 and name HB1 )) 1.700 0.400 0.500 peak 598 spectrum 1 weight 0.10000E+01 volume 0.64150E-02 ppm1 1.850 ppm2 1.462 CV 1 OR { 598} (( segid "RN15" and resid 178 and name HB1 )) (( segid "RN15" and resid 178 and name HB2 )) OR { 598} (( segid "RN15" and resid 227 and name HB2 )) (( segid "RN15" and resid 227 and name HG )) OR { 598} (( segid "RN15" and resid 227 and name HB2 )) ( segid "RN15" and resid 228 and name HB% ) ASSI { 604} (( segid "RN15" and resid 198 and name HB1 )) (( segid "RN15" and resid 198 and name HB2 )) 2.200 0.600 0.600 peak 604 spectrum 1 weight 0.10000E+01 volume 0.10340E-02 ppm1 2.237 ppm2 1.502 CV 1 OR { 604} (( segid "RN15" and resid 198 and name HB1 )) (( segid "RN15" and resid 205 and name HB1 )) ASSI { 605} (( segid "RN14" and resid 662 and name HB2 )) ( segid "RN15" and resid 209 and name HG2%) 3.600 1.600 1.600 peak 605 spectrum 1 weight 0.10000E+01 volume 0.77002E-03 ppm1 1.484 ppm2 1.282 CV 1 OR { 605} (( segid "RN15" and resid 205 and name HB1 )) (( segid "RN15" and resid 198 and name HG )) OR { 605} (( segid "RN14" and resid 653 and name HB1 )) ( segid "RN15" and resid 209 and name HG2%) ASSI { 609} (( segid "RN14" and resid 662 and name HB2 )) (( segid "RN14" and resid 662 and name HB1 )) 1.800 0.400 0.400 peak 609 spectrum 1 weight 0.10000E+01 volume 0.63956E-02 ppm1 1.482 ppm2 1.767 CV 1 OR { 609} (( segid "RN15" and resid 205 and name HB1 )) (( segid "RN14" and resid 639 and name HG )) ASSI { 611} (( segid "RN15" and resid 213 and name HB2 )) (( segid "RN15" and resid 213 and name HB1 )) 1.800 0.400 0.400 peak 611 spectrum 1 weight 0.10000E+01 volume 0.58764E-02 ppm1 1.533 ppm2 1.907 CV 1 OR { 611} (( segid "RN15" and resid 214 and name HB2 )) (( segid "RN15" and resid 214 and name HB1 )) ASSI { 615} (( segid "RN15" and resid 205 and name HB2 )) (( segid "RN15" and resid 202 and name HB2 )) 3.700 1.700 1.700 peak 615 spectrum 1 weight 0.10000E+01 volume 0.75814E-03 ppm1 1.882 ppm2 2.463 CV 1 OR { 615} (( segid "RN14" and resid 639 and name HB1 )) (( segid "RN15" and resid 202 and name HB2 )) ASSI { 616} (( segid "RN15" and resid 205 and name HB1 )) (( segid "RN15" and resid 208 and name HB )) 4.600 2.600 1.400 peak 616 spectrum 1 weight 0.10000E+01 volume 0.98193E-03 ppm1 1.520 ppm2 2.101 CV 1 OR { 616} (( segid "RN15" and resid 214 and name HB2 )) (( segid "RN15" and resid 211 and name HG2 )) OR { 616} (( segid "RN15" and resid 213 and name HB2 )) (( segid "RN15" and resid 211 and name HG2 )) OR { 616} (( segid "RN15" and resid 214 and name HB2 )) (( segid "RN15" and resid 221 and name HB )) OR { 616} (( segid "RN15" and resid 213 and name HB2 )) (( segid "RN15" and resid 181 and name HG )) OR { 616} (( segid "RN15" and resid 214 and name HB2 )) (( segid "RN15" and resid 220 and name HB2 )) ASSI { 619} ( segid "RN14" and resid 652 and name HD1%) (( segid "RN15" and resid 207 and name HZ )) 5.400 3.600 0.600 peak 619 spectrum 1 weight 0.10000E+01 volume 0.82697E-03 ppm1 0.976 ppm2 7.557 CV 1 OR { 619} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 145 and name HZ )) OR { 619} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 187 and name HZ2 )) ASSI { 620} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN14" and resid 653 and name HA )) 5.200 3.300 0.800 peak 620 spectrum 1 weight 0.10000E+01 volume 0.56391E-03 ppm1 0.572 ppm2 4.415 CV 1 OR { 620} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN15" and resid 223 and name HA )) OR { 620} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN14" and resid 654 and name HA )) ASSI { 716} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN15" and resid 209 and name HB )) 4.500 2.600 1.500 peak 716 spectrum 1 weight 0.10000E+01 volume 0.10636E-02 ppm1 1.111 ppm2 4.357 CV 1 OR { 716} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN14" and resid 668 and name HA )) ASSI { 717} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN15" and resid 184 and name HB1 )) 4.000 2.000 2.000 peak 717 spectrum 1 weight 0.10000E+01 volume 0.10925E-02 ppm1 1.116 ppm2 2.523 CV 1 OR { 717} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN15" and resid 177 and name HG1 )) ASSI { 718} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN15" and resid 184 and name HB2 )) 4.600 2.600 1.400 peak 718 spectrum 1 weight 0.10000E+01 volume 0.12417E-02 ppm1 1.115 ppm2 2.696 CV 1 OR { 718} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN15" and resid 216 and name HB1 )) ASSI { 719} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN14" and resid 668 and name HD1%) 3.000 1.100 1.100 peak 719 spectrum 1 weight 0.10000E+01 volume 0.48300E-02 ppm1 1.116 ppm2 0.649 CV 1 OR { 719} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN15" and resid 205 and name HD1%) OR { 719} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN14" and resid 635 and name HG1%) ASSI { 720} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN15" and resid 181 and name HB1 )) 2.400 0.700 0.700 peak 720 spectrum 1 weight 0.10000E+01 volume 0.53860E-02 ppm1 1.113 ppm2 2.223 CV 1 OR { 720} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN15" and resid 212 and name HB1 )) OR { 720} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN15" and resid 213 and name HG )) ASSI { 745} ( segid "RN15" and resid 198 and name HD1%) ( segid "RN15" and resid 145 and name HD% ) 3.000 1.100 1.100 peak 745 spectrum 1 weight 0.10000E+01 volume 0.23622E-02 ppm1 0.251 ppm2 7.234 CV 1 OR { 745} ( segid "RN15" and resid 198 and name HD1%) ( segid "RN15" and resid 140 and name HD% ) ASSI { 748} ( segid "RN15" and resid 198 and name HD1%) ( segid "RN14" and resid 639 and name HD2%) 4.200 2.200 1.800 peak 748 spectrum 1 weight 0.10000E+01 volume 0.91584E-03 ppm1 0.251 ppm2 0.869 CV 1 OR { 748} ( segid "RN15" and resid 198 and name HD1%) ( segid "RN14" and resid 636 and name HD1%) ASSI { 749} ( segid "RN15" and resid 198 and name HD1%) ( segid "RN15" and resid 148 and name HD2%) 2.400 0.700 0.700 peak 749 spectrum 1 weight 0.10000E+01 volume 0.71393E-02 ppm1 0.252 ppm2 0.622 CV 1 OR { 749} ( segid "RN15" and resid 198 and name HD1%) ( segid "RN15" and resid 205 and name HD2%) OR { 749} ( segid "RN15" and resid 198 and name HD1%) ( segid "RN14" and resid 635 and name HG1%) ASSI { 750} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 201 and name HB1 )) 3.700 1.700 1.700 peak 750 spectrum 1 weight 0.10000E+01 volume 0.11692E-02 ppm1 0.253 ppm2 1.931 CV 1 OR { 750} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 201 and name HG )) OR { 750} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN14" and resid 636 and name HB1 )) ASSI { 751} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 148 and name HG )) 4.100 2.100 1.900 peak 751 spectrum 1 weight 0.10000E+01 volume 0.11886E-02 ppm1 0.251 ppm2 1.848 CV 1 OR { 751} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 201 and name HB2 )) OR { 751} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN14" and resid 639 and name HB1 )) ASSI { 752} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 148 and name HA )) 5.700 4.100 0.300 peak 752 spectrum 1 weight 0.10000E+01 volume 0.39052E-03 ppm1 0.251 ppm2 4.270 CV 1 OR { 752} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 201 and name HA )) ASSI { 753} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 199 and name HA )) 5.000 3.100 1.000 peak 753 spectrum 1 weight 0.10000E+01 volume 0.38457E-03 ppm1 0.251 ppm2 3.985 CV 1 OR { 753} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 203 and name HD1 )) OR { 753} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 206 and name HA )) ASSI { 868} (( segid "RN15" and resid 224 and name HA )) (( segid "RN15" and resid 223 and name HA )) 4.800 2.900 1.200 peak 868 spectrum 1 weight 0.10000E+01 volume 0.44796E-03 ppm1 4.016 ppm2 4.413 CV 1 OR { 868} (( segid "RN15" and resid 224 and name HA )) (( segid "RN14" and resid 653 and name HA )) ASSI { 891} (( segid "RN15" and resid 227 and name HA )) (( segid "RN15" and resid 227 and name HB1 )) 2.400 0.700 0.700 peak 891 spectrum 1 weight 0.10000E+01 volume 0.33147E-02 ppm1 4.141 ppm2 1.452 CV 1 OR { 891} (( segid "RN15" and resid 227 and name HA )) (( segid "RN15" and resid 227 and name HG )) OR { 891} (( segid "RN15" and resid 227 and name HA )) ( segid "RN15" and resid 228 and name HB% ) ASSI { 899} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN15" and resid 227 and name HG )) 1.900 0.500 0.500 peak 899 spectrum 1 weight 0.10000E+01 volume 0.80509E-02 ppm1 0.379 ppm2 1.455 CV 1 OR { 899} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN15" and resid 227 and name HB1 )) OR { 899} ( segid "RN15" and resid 227 and name HD1%) ( segid "RN15" and resid 228 and name HB% ) ASSI { 933} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN15" and resid 187 and name HZ2 )) 4.000 2.000 2.000 peak 933 spectrum 1 weight 0.10000E+01 volume 0.17964E-02 ppm1 0.187 ppm2 7.535 CV 1 OR { 933} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN15" and resid 145 and name HZ )) ASSI { 956} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN15" and resid 184 and name HZ )) 5.200 3.400 0.800 peak 956 spectrum 1 weight 0.10000E+01 volume 0.43589E-03 ppm1 -0.071 ppm2 6.997 CV 1 OR { 956} ( segid "RN14" and resid 631 and name HD2%) ( segid "RN15" and resid 180 and name HD% ) ASSI { 995} ( segid "RN14" and resid 636 and name HD1%) (( segid "RN14" and resid 633 and name HA )) 2.100 0.600 0.600 peak 995 spectrum 1 weight 0.10000E+01 volume 0.16574E-01 ppm1 0.852 ppm2 3.726 CV 1 OR { 995} ( segid "RN14" and resid 636 and name HD1%) (( segid "RN14" and resid 636 and name HA )) ASSI { 1108} (( segid "RN14" and resid 662 and name HB2 )) ( segid "RN14" and resid 661 and name HD% ) 4.400 2.400 1.600 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.84045E-03 ppm1 1.488 ppm2 7.013 CV 1 OR { 1108} (( segid "RN15" and resid 205 and name HB1 )) (( segid "RN15" and resid 184 and name HZ )) OR { 1108} (( segid "RN14" and resid 662 and name HB2 )) ( segid "RN15" and resid 184 and name HD% ) OR { 1108} (( segid "RN14" and resid 653 and name HB1 )) ( segid "RN14" and resid 661 and name HD% ) OR { 1108} (( segid "RN15" and resid 205 and name HB1 )) ( segid "RN15" and resid 184 and name HD% ) ASSI { 3} (( segid "RN14" and resid 667 and name HA )) (( segid "RN14" and resid 667 and name HG2 )) 2.900 1.100 1.100 peak 3 spectrum 1 weight 0.10000E+01 volume 0.38171E-02 ppm1 4.671 ppm2 2.135 CV 1 OR { 3} (( segid "RN14" and resid 651 and name HA )) (( segid "RN15" and resid 232 and name HB2 )) OR { 3} (( segid "RN14" and resid 667 and name HA )) (( segid "RN15" and resid 185 and name HG1 )) ASSI { 4} (( segid "RN14" and resid 667 and name HA )) (( segid "RN14" and resid 667 and name HG1 )) 3.000 1.100 1.100 peak 4 spectrum 1 weight 0.10000E+01 volume 0.42072E-02 ppm1 4.671 ppm2 2.011 CV 1 OR { 4} (( segid "RN14" and resid 667 and name HA )) (( segid "RN14" and resid 668 and name HB )) ASSI { 10} (( segid "RN14" and resid 658 and name HA )) ( segid "RN14" and resid 658 and name HD1%) 2.400 0.700 0.700 peak 10 spectrum 1 weight 0.10000E+01 volume 0.31991E-02 ppm1 4.262 ppm2 0.984 CV 1 OR { 10} (( segid "RN14" and resid 658 and name HA )) ( segid "RN14" and resid 659 and name HG2%) ASSI { 16} (( segid "RN14" and resid 659 and name HA )) (( segid "RN14" and resid 662 and name HB2 )) 4.000 2.000 2.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.15390E-02 ppm1 3.301 ppm2 1.473 CV 1 OR { 16} (( segid "RN14" and resid 659 and name HA )) ( segid "RN15" and resid 196 and name HB% ) ASSI { 17} (( segid "RN14" and resid 659 and name HA )) ( segid "RN14" and resid 659 and name HG2%) 2.400 0.700 0.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.53043E-02 ppm1 3.304 ppm2 1.010 CV 1 OR { 17} (( segid "RN14" and resid 659 and name HA )) ( segid "RN15" and resid 199 and name HD1%) ASSI { 22} ( segid "RN15" and resid 212 and name HD2%) (( segid "RN15" and resid 212 and name HA )) 1.800 0.400 0.400 peak 22 spectrum 1 weight 0.10000E+01 volume 0.13449E-01 ppm1 0.746 ppm2 4.034 CV 1 OR { 22} ( segid "RN15" and resid 212 and name HD2%) (( segid "RN15" and resid 211 and name HA )) ASSI { 28} ( segid "RN14" and resid 658 and name HD2%) (( segid "RN15" and resid 206 and name HB1 )) 2.600 0.800 0.800 peak 28 spectrum 1 weight 0.10000E+01 volume 0.41795E-02 ppm1 1.061 ppm2 3.756 CV 1 OR { 28} ( segid "RN14" and resid 658 and name HD2%) (( segid "RN14" and resid 662 and name HA )) ASSI { 40} ( segid "RN15" and resid 218 and name HD1%) (( segid "RN14" and resid 669 and name HD2 )) 2.900 1.000 1.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.87015E-02 ppm1 0.918 ppm2 4.046 CV 1 OR { 40} ( segid "RN15" and resid 218 and name HD1%) (( segid "RN14" and resid 666 and name HA )) ASSI { 41} ( segid "RN15" and resid 225 and name HD1%) (( segid "RN15" and resid 226 and name HD1 )) 3.900 1.900 1.900 peak 41 spectrum 1 weight 0.10000E+01 volume 0.13076E-02 ppm1 0.894 ppm2 3.666 CV 1 OR { 41} ( segid "RN15" and resid 225 and name HD1%) (( segid "RN15" and resid 231 and name HD1 )) ASSI { 49} ( segid "RN14" and resid 668 and name HD1%) (( segid "RN14" and resid 668 and name HG12)) 2.000 0.500 0.500 peak 49 spectrum 1 weight 0.10000E+01 volume 0.10297E-01 ppm1 0.651 ppm2 1.183 CV 1 OR { 49} ( segid "RN14" and resid 668 and name HD1%) (( segid "RN15" and resid 218 and name HG12)) ASSI { 51} ( segid "RN14" and resid 668 and name HD1%) ( segid "RN15" and resid 213 and name HD2%) 2.300 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.80680E-02 ppm1 0.650 ppm2 0.890 CV 1 OR { 51} ( segid "RN14" and resid 668 and name HD1%) ( segid "RN15" and resid 218 and name HD1%) ASSI { 53} ( segid "RN14" and resid 668 and name HD1%) (( segid "RN14" and resid 669 and name HD2 )) 3.000 1.200 1.200 peak 53 spectrum 1 weight 0.10000E+01 volume 0.35920E-02 ppm1 0.648 ppm2 4.047 CV 1 OR { 53} ( segid "RN14" and resid 668 and name HD1%) (( segid "RN15" and resid 178 and name HA )) ASSI { 57} ( segid "RN14" and resid 642 and name HD1%) (( segid "RN14" and resid 642 and name HG12)) 2.200 0.600 0.600 peak 57 spectrum 1 weight 0.10000E+01 volume 0.56306E-02 ppm1 0.549 ppm2 1.355 CV 1 OR { 57} ( segid "RN14" and resid 642 and name HD1%) (( segid "RN14" and resid 638 and name HG )) ASSI { 58} ( segid "RN14" and resid 642 and name HD1%) (( segid "RN15" and resid 204 and name HB2 )) 2.300 0.600 0.600 peak 58 spectrum 1 weight 0.10000E+01 volume 0.34823E-02 ppm1 0.552 ppm2 1.757 CV 1 OR { 58} ( segid "RN14" and resid 642 and name HD1%) (( segid "RN14" and resid 642 and name HG11)) ASSI { 60} ( segid "RN15" and resid 218 and name HD1%) (( segid "RN15" and resid 218 and name HB )) 2.800 1.000 1.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.10774E-01 ppm1 0.912 ppm2 1.959 CV 1 OR { 60} ( segid "RN15" and resid 218 and name HD1%) (( segid "RN14" and resid 669 and name HB2 )) ASSI { 61} ( segid "RN14" and resid 642 and name HD1%) (( segid "RN15" and resid 204 and name HG2 )) 2.400 0.700 0.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.67549E-02 ppm1 0.552 ppm2 1.974 CV 1 OR { 61} ( segid "RN14" and resid 642 and name HD1%) (( segid "RN14" and resid 642 and name HB )) OR { 61} ( segid "RN14" and resid 642 and name HD1%) (( segid "RN15" and resid 165 and name HG11)) ASSI { 63} ( segid "RN15" and resid 225 and name HG2%) (( segid "RN15" and resid 225 and name HB )) 2.300 0.700 0.700 peak 63 spectrum 1 weight 0.10000E+01 volume 0.10413E-01 ppm1 0.925 ppm2 2.015 CV 1 OR { 63} ( segid "RN15" and resid 225 and name HG2%) (( segid "RN15" and resid 231 and name HB2 )) ASSI { 64} ( segid "RN15" and resid 225 and name HG2%) (( segid "RN15" and resid 226 and name HD1 )) 3.800 1.800 1.800 peak 64 spectrum 1 weight 0.10000E+01 volume 0.34661E-02 ppm1 0.925 ppm2 3.669 CV 1 OR { 64} ( segid "RN15" and resid 225 and name HG2%) (( segid "RN15" and resid 231 and name HD1 )) ASSI { 75} ( segid "RN15" and resid 227 and name HD2%) (( segid "RN14" and resid 658 and name HA )) 2.000 0.500 0.500 peak 75 spectrum 1 weight 0.10000E+01 volume 0.58924E-02 ppm1 0.605 ppm2 4.272 CV 1 OR { 75} ( segid "RN15" and resid 148 and name HD2%) (( segid "RN15" and resid 148 and name HA )) ASSI { 78} ( segid "RN14" and resid 635 and name HG1%) (( segid "RN14" and resid 635 and name HA )) 2.400 0.700 0.700 peak 78 spectrum 1 weight 0.10000E+01 volume 0.60912E-02 ppm1 0.626 ppm2 3.696 CV 1 OR { 78} ( segid "RN15" and resid 188 and name HG2%) (( segid "RN15" and resid 187 and name HB2 )) ASSI { 79} ( segid "RN15" and resid 188 and name HG2%) (( segid "RN15" and resid 188 and name HB )) 2.100 0.600 0.600 peak 79 spectrum 1 weight 0.10000E+01 volume 0.75814E-02 ppm1 0.616 ppm2 3.814 CV 1 OR { 79} ( segid "RN14" and resid 635 and name HG1%) (( segid "RN14" and resid 639 and name HA )) ASSI { 80} ( segid "RN15" and resid 176 and name HG1%) (( segid "RN15" and resid 176 and name HA )) 2.400 0.700 0.700 peak 80 spectrum 1 weight 0.10000E+01 volume 0.98639E-02 ppm1 1.079 ppm2 3.783 CV 1 OR { 80} ( segid "RN15" and resid 176 and name HG1%) (( segid "RN15" and resid 177 and name HA )) ASSI { 85} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN15" and resid 148 and name HA )) 2.800 1.000 1.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.44428E-02 ppm1 0.751 ppm2 4.276 CV 1 OR { 85} ( segid "RN15" and resid 212 and name HD2%) (( segid "RN15" and resid 215 and name HB )) OR { 85} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN14" and resid 637 and name HA )) ASSI { 87} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 221 and name HA )) 2.200 0.600 0.600 peak 87 spectrum 1 weight 0.10000E+01 volume 0.91647E-02 ppm1 0.714 ppm2 3.637 CV 1 OR { 87} ( segid "RN15" and resid 212 and name HD2%) (( segid "RN15" and resid 209 and name HA )) ASSI { 88} ( segid "RN15" and resid 176 and name HG2%) (( segid "RN15" and resid 173 and name HD1 )) 2.900 2.900 3.100 peak 88 spectrum 1 weight 0.10000E+01 volume 0.35107E-02 ppm1 1.162 ppm2 4.154 CV 1 OR { 88} ( segid "RN15" and resid 176 and name HG2%) (( segid "RN15" and resid 179 and name HA )) OR { 88} ( segid "RN15" and resid 176 and name HG2%) (( segid "RN14" and resid 638 and name HA )) OR { 88} ( segid "RN15" and resid 176 and name HG2%) (( segid "RN15" and resid 170 and name HA )) ASSI { 89} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN15" and resid 181 and name HA )) 1.900 0.400 0.400 peak 89 spectrum 1 weight 0.10000E+01 volume 0.10039E-01 ppm1 1.115 ppm2 3.856 CV 1 OR { 89} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN15" and resid 210 and name HA )) ASSI { 92} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN14" and resid 636 and name HA )) 2.100 0.500 0.500 peak 92 spectrum 1 weight 0.10000E+01 volume 0.11355E-01 ppm1 0.753 ppm2 3.730 CV 1 OR { 92} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN14" and resid 633 and name HA )) ASSI { 94} ( segid "RN15" and resid 213 and name HD2%) (( segid "RN15" and resid 213 and name HA )) 2.100 0.600 0.600 peak 94 spectrum 1 weight 0.10000E+01 volume 0.10140E-01 ppm1 0.857 ppm2 4.049 CV 1 OR { 94} ( segid "RN15" and resid 213 and name HD2%) (( segid "RN14" and resid 669 and name HD2 )) OR { 94} ( segid "RN15" and resid 213 and name HD2%) (( segid "RN14" and resid 666 and name HA )) ASSI { 99} ( segid "RN15" and resid 209 and name HG2%) (( segid "RN14" and resid 658 and name HA )) 3.000 3.000 3.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.13689E-01 ppm1 1.256 ppm2 4.286 CV 1 OR { 99} ( segid "RN15" and resid 209 and name HG2%) (( segid "RN15" and resid 215 and name HB )) ASSI { 100} ( segid "RN14" and resid 670 and name HG2%) (( segid "RN14" and resid 670 and name HB )) 2.200 0.600 0.600 peak 100 spectrum 1 weight 0.10000E+01 volume 0.20206E-01 ppm1 1.230 ppm2 4.251 CV 1 OR { 100} ( segid "RN14" and resid 674 and name HG2%) (( segid "RN14" and resid 674 and name HB )) ASSI { 101} ( segid "RN14" and resid 674 and name HG2%) (( segid "RN14" and resid 674 and name HA )) 2.400 0.700 0.700 peak 101 spectrum 1 weight 0.10000E+01 volume 0.14702E-01 ppm1 1.235 ppm2 4.366 CV 1 OR { 101} ( segid "RN14" and resid 670 and name HG2%) (( segid "RN14" and resid 670 and name HA )) ASSI { 102} ( segid "RN15" and resid 215 and name HG2%) (( segid "RN15" and resid 212 and name HA )) 2.300 0.700 0.700 peak 102 spectrum 1 weight 0.10000E+01 volume 0.37262E-02 ppm1 1.391 ppm2 4.036 CV 1 OR { 102} ( segid "RN15" and resid 215 and name HG2%) (( segid "RN15" and resid 213 and name HA )) OR { 102} ( segid "RN15" and resid 215 and name HG2%) (( segid "RN15" and resid 217 and name HA2 )) ASSI { 104} ( segid "RN15" and resid 208 and name HG2%) (( segid "RN15" and resid 205 and name HA )) 2.900 1.100 1.100 peak 104 spectrum 1 weight 0.10000E+01 volume 0.37073E-02 ppm1 1.032 ppm2 4.060 CV 1 OR { 104} ( segid "RN15" and resid 208 and name HG2%) (( segid "RN15" and resid 212 and name HA )) OR { 104} ( segid "RN15" and resid 208 and name HG2%) (( segid "RN15" and resid 211 and name HA )) ASSI { 105} ( segid "RN14" and resid 659 and name HG2%) (( segid "RN14" and resid 655 and name HA )) 3.100 1.200 1.200 peak 105 spectrum 1 weight 0.10000E+01 volume 0.51049E-02 ppm1 1.011 ppm2 3.908 CV 1 OR { 105} ( segid "RN14" and resid 659 and name HG2%) (( segid "RN14" and resid 656 and name HA )) ASSI { 112} (( segid "RN15" and resid 179 and name HG2 )) (( segid "RN15" and resid 179 and name HA )) 2.800 1.000 1.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.74118E-02 ppm1 1.599 ppm2 4.166 CV 1 OR { 112} (( segid "RN15" and resid 183 and name HG2 )) (( segid "RN15" and resid 183 and name HA )) ASSI { 116} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN15" and resid 224 and name HA )) 2.500 0.800 0.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.42013E-02 ppm1 0.387 ppm2 4.015 CV 1 OR { 116} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN15" and resid 206 and name HA )) OR { 116} (( segid "RN15" and resid 152 and name HG12)) (( segid "RN15" and resid 151 and name HA1 )) ASSI { 117} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN14" and resid 658 and name HA )) 3.400 1.500 1.500 peak 117 spectrum 1 weight 0.10000E+01 volume 0.29451E-02 ppm1 0.387 ppm2 4.262 CV 1 OR { 117} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN14" and resid 661 and name HA )) ASSI { 121} ( segid "RN15" and resid 213 and name HD1%) (( segid "RN15" and resid 210 and name HA )) 2.300 0.600 0.600 peak 121 spectrum 1 weight 0.10000E+01 volume 0.74437E-02 ppm1 0.943 ppm2 3.852 CV 1 OR { 121} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN15" and resid 181 and name HA )) OR { 121} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN15" and resid 169 and name HA )) ASSI { 122} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN15" and resid 213 and name HA )) 2.800 1.000 1.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.87786E-02 ppm1 0.938 ppm2 4.054 CV 1 OR { 122} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN14" and resid 669 and name HD2 )) OR { 122} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN15" and resid 212 and name HA )) OR { 122} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN15" and resid 178 and name HA )) OR { 122} ( segid "RN15" and resid 213 and name HD1%) (( segid "RN15" and resid 213 and name HA )) OR { 122} (( segid "RN15" and resid 152 and name HG11)) (( segid "RN15" and resid 151 and name HA1 )) OR { 122} ( segid "RN15" and resid 213 and name HD1%) (( segid "RN14" and resid 666 and name HA )) ASSI { 124} ( segid "RN15" and resid 199 and name HD1%) (( segid "RN15" and resid 206 and name HA )) 2.600 0.900 0.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.40628E-02 ppm1 1.001 ppm2 3.984 CV 1 OR { 124} ( segid "RN15" and resid 199 and name HD1%) (( segid "RN15" and resid 199 and name HA )) ASSI { 128} ( segid "RN14" and resid 658 and name HD2%) (( segid "RN15" and resid 206 and name HB2 )) 3.100 1.200 1.200 peak 128 spectrum 1 weight 0.10000E+01 volume 0.39314E-02 ppm1 1.058 ppm2 4.071 CV 1 OR { 128} ( segid "RN14" and resid 658 and name HD2%) (( segid "RN14" and resid 657 and name HA )) ASSI { 135} (( segid "RN15" and resid 182 and name HB1 )) (( segid "RN15" and resid 179 and name HA )) 2.600 0.900 0.900 peak 135 spectrum 1 weight 0.10000E+01 volume 0.66024E-02 ppm1 2.244 ppm2 4.171 CV 1 OR { 135} (( segid "RN15" and resid 182 and name HB2 )) (( segid "RN15" and resid 183 and name HA )) OR { 135} (( segid "RN15" and resid 182 and name HB2 )) (( segid "RN15" and resid 179 and name HA )) OR { 135} (( segid "RN15" and resid 182 and name HB1 )) (( segid "RN15" and resid 183 and name HA )) ASSI { 136} (( segid "RN15" and resid 173 and name HG1 )) (( segid "RN15" and resid 173 and name HA )) 2.900 1.000 1.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.50577E-02 ppm1 2.166 ppm2 4.543 CV 1 OR { 136} (( segid "RN14" and resid 632 and name HG1 )) (( segid "RN15" and resid 184 and name HA )) OR { 136} (( segid "RN14" and resid 632 and name HG1 )) (( segid "RN14" and resid 632 and name HA )) ASSI { 140} (( segid "RN15" and resid 192 and name HG1 )) (( segid "RN15" and resid 192 and name HD1 )) 2.000 0.500 0.500 peak 140 spectrum 1 weight 0.10000E+01 volume 0.10769E-01 ppm1 1.969 ppm2 3.398 CV 1 OR { 140} (( segid "RN15" and resid 226 and name HG2 )) (( segid "RN15" and resid 226 and name HD2 )) ASSI { 142} (( segid "RN14" and resid 669 and name HG2 )) (( segid "RN14" and resid 669 and name HD2 )) 2.100 0.600 0.600 peak 142 spectrum 1 weight 0.10000E+01 volume 0.75437E-02 ppm1 2.065 ppm2 4.042 CV 1 OR { 142} (( segid "RN14" and resid 669 and name HG1 )) (( segid "RN14" and resid 669 and name HD2 )) OR { 142} (( segid "RN14" and resid 669 and name HG2 )) (( segid "RN15" and resid 178 and name HA )) ASSI { 144} (( segid "RN15" and resid 179 and name HG1 )) (( segid "RN15" and resid 179 and name HA )) 2.700 0.900 0.900 peak 144 spectrum 1 weight 0.10000E+01 volume 0.72627E-02 ppm1 1.661 ppm2 4.166 CV 1 OR { 144} (( segid "RN15" and resid 183 and name HG1 )) (( segid "RN15" and resid 183 and name HA )) ASSI { 145} ( segid "RN15" and resid 178 and name HD1%) (( segid "RN15" and resid 175 and name HA )) 2.600 0.900 0.900 peak 145 spectrum 1 weight 0.10000E+01 volume 0.58604E-02 ppm1 0.876 ppm2 4.015 CV 1 OR { 145} ( segid "RN15" and resid 178 and name HD1%) (( segid "RN15" and resid 178 and name HA )) ASSI { 147} (( segid "RN15" and resid 149 and name HG1 )) (( segid "RN15" and resid 148 and name HA )) 3.400 1.400 1.400 peak 147 spectrum 1 weight 0.10000E+01 volume 0.40918E-02 ppm1 1.963 ppm2 4.276 CV 1 OR { 147} (( segid "RN15" and resid 149 and name HG1 )) (( segid "RN14" and resid 637 and name HA )) OR { 147} (( segid "RN15" and resid 130 and name HG1 )) (( segid "RN15" and resid 133 and name HA )) OR { 147} (( segid "RN15" and resid 130 and name HG2 )) (( segid "RN15" and resid 133 and name HA )) ASSI { 148} (( segid "RN15" and resid 143 and name HB2 )) (( segid "RN15" and resid 143 and name HA )) 2.400 0.700 0.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.10339E-01 ppm1 2.073 ppm2 4.182 CV 1 OR { 148} (( segid "RN15" and resid 143 and name HB1 )) (( segid "RN15" and resid 143 and name HA )) OR { 148} (( segid "RN15" and resid 193 and name HB1 )) (( segid "RN15" and resid 193 and name HA )) ASSI { 152} (( segid "RN14" and resid 634 and name HB1 )) (( segid "RN14" and resid 634 and name HA )) 2.800 1.000 1.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.37565E-02 ppm1 1.849 ppm2 4.074 CV 1 OR { 152} (( segid "RN14" and resid 657 and name HD2 )) (( segid "RN14" and resid 657 and name HA )) OR { 152} (( segid "RN14" and resid 634 and name HB2 )) (( segid "RN14" and resid 634 and name HA )) OR { 152} (( segid "RN14" and resid 657 and name HD1 )) (( segid "RN14" and resid 657 and name HA )) ASSI { 159} (( segid "RN14" and resid 627 and name HB1 )) (( segid "RN14" and resid 627 and name HA )) 2.500 0.800 0.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.67863E-02 ppm1 1.901 ppm2 4.341 CV 1 OR { 159} (( segid "RN15" and resid 192 and name HB1 )) (( segid "RN14" and resid 660 and name HA )) ASSI { 164} (( segid "RN15" and resid 163 and name HB2 )) (( segid "RN15" and resid 163 and name HG1 )) 2.600 0.800 0.800 peak 164 spectrum 1 weight 0.10000E+01 volume 0.54925E-02 ppm1 2.130 ppm2 2.624 CV 1 OR { 164} (( segid "RN15" and resid 164 and name HB1 )) (( segid "RN15" and resid 164 and name HG2 )) ASSI { 165} (( segid "RN15" and resid 221 and name HB )) (( segid "RN15" and resid 221 and name HA )) 2.500 0.800 0.800 peak 165 spectrum 1 weight 0.10000E+01 volume 0.78327E-02 ppm1 2.104 ppm2 3.638 CV 1 OR { 165} (( segid "RN15" and resid 208 and name HB )) (( segid "RN15" and resid 209 and name HA )) OR { 165} (( segid "RN14" and resid 643 and name HB2 )) (( segid "RN15" and resid 165 and name HA )) OR { 165} (( segid "RN14" and resid 643 and name HB1 )) (( segid "RN15" and resid 165 and name HA )) ASSI { 166} (( segid "RN14" and resid 659 and name HB )) (( segid "RN14" and resid 656 and name HA )) 2.300 0.600 0.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.57159E-02 ppm1 2.156 ppm2 3.901 CV 1 OR { 166} (( segid "RN15" and resid 164 and name HB2 )) (( segid "RN14" and resid 643 and name HD1 )) OR { 166} (( segid "RN15" and resid 164 and name HB2 )) (( segid "RN15" and resid 161 and name HA )) ASSI { 179} (( segid "RN15" and resid 232 and name HG2 )) (( segid "RN15" and resid 232 and name HA )) 2.700 0.900 0.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.89220E-02 ppm1 2.354 ppm2 4.168 CV 1 OR { 179} (( segid "RN15" and resid 143 and name HG2 )) (( segid "RN15" and resid 143 and name HA )) OR { 179} (( segid "RN15" and resid 143 and name HG1 )) (( segid "RN15" and resid 143 and name HA )) OR { 179} (( segid "RN15" and resid 232 and name HG1 )) (( segid "RN15" and resid 232 and name HA )) ASSI { 180} (( segid "RN14" and resid 646 and name HG1 )) (( segid "RN14" and resid 646 and name HA )) 3.500 1.500 1.500 peak 180 spectrum 1 weight 0.10000E+01 volume 0.42997E-02 ppm1 1.760 ppm2 4.192 CV 1 OR { 180} (( segid "RN15" and resid 149 and name HB1 )) (( segid "RN14" and resid 640 and name HA )) ASSI { 181} (( segid "RN15" and resid 174 and name HB1 )) (( segid "RN15" and resid 174 and name HA )) 2.700 0.900 0.900 peak 181 spectrum 1 weight 0.10000E+01 volume 0.77887E-02 ppm1 2.015 ppm2 3.793 CV 1 OR { 181} (( segid "RN15" and resid 231 and name HB2 )) (( segid "RN15" and resid 231 and name HD2 )) OR { 181} (( segid "RN15" and resid 179 and name HB1 )) (( segid "RN15" and resid 176 and name HA )) ASSI { 188} (( segid "RN15" and resid 149 and name HB2 )) (( segid "RN15" and resid 149 and name HA )) 2.600 0.900 0.900 peak 188 spectrum 1 weight 0.10000E+01 volume 0.82640E-02 ppm1 2.364 ppm2 4.605 CV 1 OR { 188} (( segid "RN15" and resid 158 and name HG2 )) (( segid "RN15" and resid 158 and name HA )) ASSI { 189} (( segid "RN15" and resid 146 and name HB1 )) (( segid "RN15" and resid 146 and name HA )) 2.100 0.600 0.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.12661E-01 ppm1 2.317 ppm2 4.459 CV 1 OR { 189} (( segid "RN15" and resid 231 and name HB1 )) (( segid "RN15" and resid 231 and name HA )) ASSI { 193} (( segid "RN15" and resid 193 and name HG2 )) (( segid "RN15" and resid 196 and name HA )) 3.400 3.400 2.600 peak 193 spectrum 1 weight 0.10000E+01 volume 0.51418E-02 ppm1 2.281 ppm2 3.970 CV 1 OR { 193} (( segid "RN15" and resid 147 and name HG2 )) (( segid "RN15" and resid 144 and name HA )) OR { 193} (( segid "RN15" and resid 147 and name HG1 )) (( segid "RN15" and resid 144 and name HA )) OR { 193} (( segid "RN15" and resid 147 and name HG1 )) (( segid "RN14" and resid 640 and name HB2 )) OR { 193} (( segid "RN15" and resid 147 and name HG2 )) (( segid "RN14" and resid 640 and name HB2 )) OR { 193} (( segid "RN15" and resid 147 and name HG1 )) (( segid "RN15" and resid 150 and name HB2 )) OR { 193} (( segid "RN15" and resid 193 and name HG2 )) (( segid "RN15" and resid 199 and name HA )) ASSI { 197} (( segid "RN15" and resid 207 and name HB2 )) (( segid "RN15" and resid 207 and name HA )) 2.800 1.000 1.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.36908E-02 ppm1 2.822 ppm2 4.115 CV 1 OR { 197} (( segid "RN15" and resid 128 and name HB2 )) (( segid "RN15" and resid 129 and name HA2 )) OR { 197} (( segid "RN15" and resid 128 and name HB2 )) (( segid "RN15" and resid 129 and name HA1 )) ASSI { 202} (( segid "RN15" and resid 214 and name HB2 )) (( segid "RN15" and resid 211 and name HA )) 2.600 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.51119E-02 ppm1 1.521 ppm2 4.052 CV 1 OR { 202} (( segid "RN15" and resid 205 and name HB1 )) (( segid "RN15" and resid 205 and name HA )) OR { 202} (( segid "RN15" and resid 213 and name HB2 )) (( segid "RN15" and resid 213 and name HA )) OR { 202} (( segid "RN14" and resid 653 and name HB1 )) (( segid "RN15" and resid 206 and name HB2 )) OR { 202} (( segid "RN15" and resid 213 and name HB2 )) (( segid "RN15" and resid 211 and name HA )) OR { 202} (( segid "RN15" and resid 214 and name HB2 )) (( segid "RN15" and resid 212 and name HA )) OR { 202} (( segid "RN15" and resid 205 and name HB1 )) (( segid "RN15" and resid 206 and name HB2 )) OR { 202} (( segid "RN15" and resid 214 and name HB2 )) (( segid "RN15" and resid 213 and name HA )) ASSI { 204} (( segid "RN14" and resid 658 and name HB2 )) (( segid "RN14" and resid 658 and name HA )) 2.300 0.700 0.700 peak 204 spectrum 1 weight 0.10000E+01 volume 0.35652E-02 ppm1 1.396 ppm2 4.269 CV 1 OR { 204} (( segid "RN15" and resid 148 and name HB2 )) (( segid "RN15" and resid 148 and name HA )) ASSI { 206} (( segid "RN14" and resid 662 and name HB2 )) (( segid "RN14" and resid 662 and name HA )) 2.300 0.700 0.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.41767E-02 ppm1 1.480 ppm2 3.750 CV 1 OR { 206} (( segid "RN14" and resid 653 and name HB1 )) (( segid "RN15" and resid 206 and name HB1 )) OR { 206} (( segid "RN15" and resid 205 and name HB1 )) (( segid "RN15" and resid 206 and name HB1 )) ASSI { 213} (( segid "RN15" and resid 214 and name HB1 )) (( segid "RN15" and resid 214 and name HA )) 2.600 0.800 0.800 peak 213 spectrum 1 weight 0.10000E+01 volume 0.34065E-02 ppm1 1.911 ppm2 4.335 CV 1 OR { 213} (( segid "RN15" and resid 213 and name HB1 )) (( segid "RN15" and resid 214 and name HA )) ASSI { 214} (( segid "RN15" and resid 178 and name HB1 )) (( segid "RN15" and resid 178 and name HA )) 2.500 0.800 0.800 peak 214 spectrum 1 weight 0.10000E+01 volume 0.38950E-02 ppm1 1.849 ppm2 4.015 CV 1 OR { 214} (( segid "RN15" and resid 224 and name HB1 )) (( segid "RN15" and resid 224 and name HA )) OR { 214} (( segid "RN15" and resid 227 and name HB2 )) (( segid "RN15" and resid 224 and name HA )) OR { 214} (( segid "RN15" and resid 178 and name HB1 )) (( segid "RN15" and resid 175 and name HA )) ASSI { 216} (( segid "RN14" and resid 637 and name HB2 )) (( segid "RN14" and resid 634 and name HA )) 2.900 1.100 1.100 peak 216 spectrum 1 weight 0.10000E+01 volume 0.44261E-02 ppm1 2.587 ppm2 4.074 CV 1 OR { 216} (( segid "RN14" and resid 637 and name HB1 )) (( segid "RN14" and resid 634 and name HA )) OR { 216} (( segid "RN14" and resid 637 and name HB1 )) (( segid "RN14" and resid 640 and name HB1 )) OR { 216} (( segid "RN14" and resid 637 and name HB2 )) (( segid "RN14" and resid 640 and name HB1 )) ASSI { 217} (( segid "RN15" and resid 131 and name HB2 )) (( segid "RN15" and resid 131 and name HA )) 2.500 0.800 0.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.65081E-02 ppm1 2.651 ppm2 4.563 CV 1 OR { 217} (( segid "RN15" and resid 194 and name HB1 )) (( segid "RN15" and resid 194 and name HA )) ASSI { 222} ( segid "RN14" and resid 641 and name HG2%) (( segid "RN15" and resid 208 and name HB )) 3.400 3.400 2.600 peak 222 spectrum 1 weight 0.10000E+01 volume 0.44734E-02 ppm1 0.902 ppm2 2.093 CV 1 OR { 222} ( segid "RN14" and resid 641 and name HG2%) (( segid "RN15" and resid 164 and name HB1 )) OR { 222} ( segid "RN14" and resid 641 and name HG2%) (( segid "RN14" and resid 643 and name HB2 )) OR { 222} ( segid "RN14" and resid 641 and name HG2%) (( segid "RN14" and resid 643 and name HB1 )) ASSI { 223} ( segid "RN15" and resid 165 and name HG2%) (( segid "RN15" and resid 169 and name HG )) 2.600 0.900 0.900 peak 223 spectrum 1 weight 0.10000E+01 volume 0.10918E-01 ppm1 0.897 ppm2 1.955 CV 1 OR { 223} ( segid "RN15" and resid 165 and name HG2%) (( segid "RN15" and resid 165 and name HG11)) OR { 223} ( segid "RN15" and resid 165 and name HG2%) (( segid "RN14" and resid 642 and name HB )) OR { 223} ( segid "RN14" and resid 641 and name HG2%) (( segid "RN14" and resid 642 and name HB )) OR { 223} ( segid "RN15" and resid 165 and name HG2%) (( segid "RN15" and resid 169 and name HB1 )) OR { 223} ( segid "RN15" and resid 165 and name HG2%) (( segid "RN15" and resid 204 and name HG2 )) ASSI { 225} ( segid "RN15" and resid 228 and name HB% ) (( segid "RN15" and resid 225 and name HB )) 3.200 1.300 1.300 peak 225 spectrum 1 weight 0.10000E+01 volume 0.38566E-02 ppm1 1.479 ppm2 2.030 CV 1 OR { 225} ( segid "RN15" and resid 228 and name HB% ) (( segid "RN14" and resid 658 and name HB1 )) ASSI { 227} ( segid "RN14" and resid 635 and name HG2%) (( segid "RN14" and resid 635 and name HB )) 2.000 0.500 0.500 peak 227 spectrum 1 weight 0.10000E+01 volume 0.12029E-01 ppm1 0.622 ppm2 2.009 CV 1 OR { 227} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 168 and name HB2 )) OR { 227} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 168 and name HB1 )) OR { 227} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 177 and name HB2 )) ASSI { 228} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 169 and name HG )) 1.900 0.500 0.500 peak 228 spectrum 1 weight 0.10000E+01 volume 0.13318E-01 ppm1 0.621 ppm2 1.956 CV 1 OR { 228} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 169 and name HB1 )) OR { 228} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN14" and resid 642 and name HB )) OR { 228} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 204 and name HG2 )) ASSI { 230} ( segid "RN14" and resid 635 and name HG1%) (( segid "RN14" and resid 635 and name HB )) 2.000 0.500 0.500 peak 230 spectrum 1 weight 0.10000E+01 volume 0.11109E-01 ppm1 0.625 ppm2 2.012 CV 1 OR { 230} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 168 and name HB2 )) OR { 230} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 168 and name HB1 )) OR { 230} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 177 and name HB2 )) ASSI { 231} ( segid "RN14" and resid 635 and name HG1%) (( segid "RN14" and resid 639 and name HG )) 2.700 0.900 0.900 peak 231 spectrum 1 weight 0.10000E+01 volume 0.30984E-02 ppm1 0.622 ppm2 1.775 CV 1 OR { 231} ( segid "RN15" and resid 188 and name HG2%) (( segid "RN14" and resid 662 and name HB1 )) OR { 231} ( segid "RN15" and resid 188 and name HG2%) (( segid "RN15" and resid 189 and name HB2 )) OR { 231} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 177 and name HB1 )) OR { 231} ( segid "RN15" and resid 169 and name HD2%) (( segid "RN15" and resid 204 and name HB2 )) ASSI { 236} ( segid "RN14" and resid 671 and name HG1%) (( segid "RN14" and resid 671 and name HB )) 2.000 0.500 0.500 peak 236 spectrum 1 weight 0.10000E+01 volume 0.27578E-01 ppm1 0.977 ppm2 2.110 CV 1 OR { 236} ( segid "RN14" and resid 671 and name HG2%) (( segid "RN14" and resid 671 and name HB )) OR { 236} ( segid "RN15" and resid 221 and name HG1%) (( segid "RN15" and resid 221 and name HB )) ASSI { 238} ( segid "RN15" and resid 188 and name HG2%) ( segid "RN15" and resid 195 and name HB% ) 3.000 1.100 1.100 peak 238 spectrum 1 weight 0.10000E+01 volume 0.12577E-01 ppm1 0.621 ppm2 1.392 CV 1 OR { 238} ( segid "RN14" and resid 635 and name HG1%) (( segid "RN14" and resid 639 and name HB2 )) ASSI { 239} ( segid "RN15" and resid 170 and name HB% ) (( segid "RN15" and resid 211 and name HB1 )) 3.100 1.200 1.200 peak 239 spectrum 1 weight 0.10000E+01 volume 0.38910E-02 ppm1 1.484 ppm2 2.056 CV 1 OR { 239} ( segid "RN15" and resid 170 and name HB% ) (( segid "RN15" and resid 211 and name HB2 )) OR { 239} ( segid "RN15" and resid 170 and name HB% ) (( segid "RN15" and resid 171 and name HB1 )) OR { 239} ( segid "RN15" and resid 170 and name HB% ) (( segid "RN15" and resid 177 and name HB2 )) ASSI { 240} ( segid "RN15" and resid 170 and name HB% ) (( segid "RN15" and resid 214 and name HG )) 3.500 3.500 2.500 peak 240 spectrum 1 weight 0.10000E+01 volume 0.59284E-02 ppm1 1.486 ppm2 1.774 CV 1 OR { 240} ( segid "RN15" and resid 170 and name HB% ) (( segid "RN15" and resid 177 and name HB1 )) ASSI { 243} ( segid "RN15" and resid 196 and name HB% ) (( segid "RN14" and resid 658 and name HG )) 3.200 3.200 2.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.10802E-01 ppm1 1.512 ppm2 1.639 CV 1 OR { 243} ( segid "RN15" and resid 196 and name HB% ) (( segid "RN14" and resid 662 and name HG )) ASSI { 245} ( segid "RN15" and resid 156 and name HG2%) (( segid "RN15" and resid 161 and name HB1 )) 3.100 1.200 1.200 peak 245 spectrum 1 weight 0.10000E+01 volume 0.53748E-02 ppm1 1.026 ppm2 1.575 CV 1 OR { 245} ( segid "RN15" and resid 156 and name HG2%) (( segid "RN14" and resid 643 and name HG2 )) ASSI { 246} ( segid "RN15" and resid 218 and name HG2%) (( segid "RN15" and resid 218 and name HG11)) 2.500 0.800 0.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.55517E-02 ppm1 1.026 ppm2 1.549 CV 1 OR { 246} ( segid "RN15" and resid 156 and name HG2%) (( segid "RN15" and resid 161 and name HB1 )) ASSI { 248} ( segid "RN15" and resid 156 and name HG2%) (( segid "RN15" and resid 156 and name HG11)) 2.400 0.700 0.700 peak 248 spectrum 1 weight 0.10000E+01 volume 0.11923E-01 ppm1 1.037 ppm2 1.433 CV 1 OR { 248} ( segid "RN15" and resid 156 and name HG2%) (( segid "RN15" and resid 156 and name HG12)) OR { 248} ( segid "RN15" and resid 156 and name HG2%) (( segid "RN15" and resid 161 and name HG2 )) ASSI { 250} ( segid "RN14" and resid 650 and name HG2%) (( segid "RN15" and resid 232 and name HB2 )) 3.200 3.200 2.800 peak 250 spectrum 1 weight 0.10000E+01 volume 0.10202E-01 ppm1 1.275 ppm2 2.132 CV 1 OR { 250} ( segid "RN14" and resid 633 and name HG2%) (( segid "RN14" and resid 632 and name HG1 )) OR { 250} ( segid "RN14" and resid 650 and name HG2%) (( segid "RN15" and resid 232 and name HB1 )) ASSI { 251} ( segid "RN14" and resid 670 and name HG2%) (( segid "RN14" and resid 669 and name HG2 )) 2.700 2.700 3.300 peak 251 spectrum 1 weight 0.10000E+01 volume 0.13540E-01 ppm1 1.238 ppm2 2.075 CV 1 OR { 251} ( segid "RN14" and resid 670 and name HG2%) (( segid "RN14" and resid 669 and name HG1 )) OR { 251} ( segid "RN14" and resid 670 and name HG2%) (( segid "RN14" and resid 672 and name HB1 )) ASSI { 254} ( segid "RN15" and resid 199 and name HD2%) (( segid "RN15" and resid 199 and name HG )) 2.000 0.500 0.500 peak 254 spectrum 1 weight 0.10000E+01 volume 0.98690E-02 ppm1 0.917 ppm2 2.006 CV 1 OR { 254} ( segid "RN15" and resid 199 and name HD2%) (( segid "RN15" and resid 204 and name HG2 )) ASSI { 256} ( segid "RN15" and resid 199 and name HD2%) (( segid "RN15" and resid 199 and name HB1 )) 2.300 0.700 0.700 peak 256 spectrum 1 weight 0.10000E+01 volume 0.86164E-02 ppm1 0.917 ppm2 1.885 CV 1 OR { 256} ( segid "RN15" and resid 199 and name HD2%) (( segid "RN15" and resid 205 and name HB2 )) ASSI { 257} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN15" and resid 181 and name HG )) 2.000 0.500 0.500 peak 257 spectrum 1 weight 0.10000E+01 volume 0.13691E-01 ppm1 1.101 ppm2 2.101 CV 1 OR { 257} ( segid "RN15" and resid 221 and name HG2%) (( segid "RN15" and resid 221 and name HB )) OR { 257} ( segid "RN15" and resid 221 and name HG2%) (( segid "RN15" and resid 220 and name HB2 )) ASSI { 259} ( segid "RN15" and resid 176 and name HG2%) (( segid "RN15" and resid 179 and name HB2 )) 2.900 1.100 1.100 peak 259 spectrum 1 weight 0.10000E+01 volume 0.81474E-02 ppm1 1.160 ppm2 2.010 CV 1 OR { 259} ( segid "RN15" and resid 176 and name HG2%) (( segid "RN15" and resid 174 and name HB1 )) OR { 259} ( segid "RN15" and resid 176 and name HG2%) (( segid "RN15" and resid 177 and name HB2 )) ASSI { 261} ( segid "RN15" and resid 208 and name HG2%) (( segid "RN15" and resid 208 and name HB )) 1.800 0.400 0.400 peak 261 spectrum 1 weight 0.10000E+01 volume 0.11659E-01 ppm1 1.020 ppm2 2.106 CV 1 OR { 261} ( segid "RN15" and resid 208 and name HG2%) (( segid "RN15" and resid 211 and name HG2 )) OR { 261} ( segid "RN15" and resid 208 and name HG2%) (( segid "RN15" and resid 211 and name HG1 )) ASSI { 262} ( segid "RN15" and resid 213 and name HD2%) (( segid "RN15" and resid 213 and name HG )) 2.100 0.500 0.500 peak 262 spectrum 1 weight 0.10000E+01 volume 0.92613E-02 ppm1 0.862 ppm2 2.215 CV 1 OR { 262} ( segid "RN15" and resid 213 and name HD2%) (( segid "RN15" and resid 181 and name HB1 )) ASSI { 264} (( segid "RN15" and resid 179 and name HG1 )) (( segid "RN15" and resid 179 and name HB2 )) 2.500 0.800 0.800 peak 264 spectrum 1 weight 0.10000E+01 volume 0.96091E-02 ppm1 1.651 ppm2 2.002 CV 1 OR { 264} (( segid "RN15" and resid 174 and name HG1 )) (( segid "RN15" and resid 174 and name HB1 )) ASSI { 265} (( segid "RN15" and resid 174 and name HG2 )) (( segid "RN15" and resid 174 and name HB1 )) 2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.40324E-02 ppm1 1.426 ppm2 2.019 CV 1 OR { 265} (( segid "RN15" and resid 174 and name HG2 )) (( segid "RN15" and resid 177 and name HB2 )) OR { 265} (( segid "RN15" and resid 172 and name HG2 )) (( segid "RN15" and resid 173 and name HB1 )) ASSI { 266} ( segid "RN15" and resid 205 and name HD2%) (( segid "RN15" and resid 205 and name HB2 )) 2.200 0.600 0.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.59849E-02 ppm1 0.628 ppm2 1.886 CV 1 OR { 266} ( segid "RN15" and resid 205 and name HD2%) (( segid "RN14" and resid 639 and name HB1 )) ASSI { 268} ( segid "RN15" and resid 199 and name HD1%) (( segid "RN15" and resid 199 and name HB1 )) 2.200 0.600 0.600 peak 268 spectrum 1 weight 0.10000E+01 volume 0.92653E-02 ppm1 0.988 ppm2 1.873 CV 1 OR { 268} ( segid "RN15" and resid 199 and name HD1%) (( segid "RN15" and resid 205 and name HB2 )) ASSI { 269} ( segid "RN15" and resid 214 and name HD1%) (( segid "RN15" and resid 214 and name HB1 )) 1.800 0.400 0.400 peak 269 spectrum 1 weight 0.10000E+01 volume 0.26088E-01 ppm1 0.818 ppm2 1.931 CV 1 OR { 269} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 169 and name HB1 )) OR { 269} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 212 and name HG )) ASSI { 270} ( segid "RN15" and resid 201 and name HD2%) (( segid "RN15" and resid 201 and name HG )) 2.000 0.500 0.500 peak 270 spectrum 1 weight 0.10000E+01 volume 0.22832E-01 ppm1 0.984 ppm2 1.931 CV 1 OR { 270} ( segid "RN15" and resid 201 and name HD2%) (( segid "RN15" and resid 201 and name HB1 )) OR { 270} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 201 and name HB1 )) OR { 270} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 201 and name HG )) ASSI { 272} ( segid "RN15" and resid 201 and name HD1%) (( segid "RN15" and resid 201 and name HG )) 2.200 0.600 0.600 peak 272 spectrum 1 weight 0.10000E+01 volume 0.19740E-01 ppm1 1.025 ppm2 1.934 CV 1 OR { 272} ( segid "RN15" and resid 201 and name HD1%) (( segid "RN15" and resid 201 and name HB1 )) OR { 272} ( segid "RN15" and resid 208 and name HG2%) (( segid "RN15" and resid 169 and name HG )) OR { 272} ( segid "RN15" and resid 208 and name HG2%) (( segid "RN15" and resid 212 and name HG )) ASSI { 273} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 211 and name HG1 )) 2.400 0.700 0.700 peak 273 spectrum 1 weight 0.10000E+01 volume 0.83571E-02 ppm1 0.818 ppm2 2.101 CV 1 OR { 273} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 211 and name HG2 )) OR { 273} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN15" and resid 208 and name HB )) OR { 273} ( segid "RN15" and resid 214 and name HD1%) (( segid "RN15" and resid 211 and name HG2 )) OR { 273} ( segid "RN15" and resid 214 and name HD1%) (( segid "RN15" and resid 221 and name HB )) ASSI { 277} ( segid "RN14" and resid 639 and name HD1%) (( segid "RN14" and resid 639 and name HB1 )) 2.200 0.600 0.600 peak 277 spectrum 1 weight 0.10000E+01 volume 0.81600E-02 ppm1 0.799 ppm2 1.860 CV 1 OR { 277} ( segid "RN14" and resid 639 and name HD1%) (( segid "RN15" and resid 205 and name HB2 )) ASSI { 278} ( segid "RN15" and resid 224 and name HD1%) (( segid "RN15" and resid 224 and name HG )) 2.100 0.500 0.500 peak 278 spectrum 1 weight 0.10000E+01 volume 0.11277E-01 ppm1 0.800 ppm2 1.598 CV 1 OR { 278} ( segid "RN14" and resid 662 and name HD2%) (( segid "RN14" and resid 662 and name HG )) ASSI { 282} (( segid "RN15" and resid 156 and name HG12)) (( segid "RN15" and resid 156 and name HB )) 2.500 0.800 0.800 peak 282 spectrum 1 weight 0.10000E+01 volume 0.72587E-02 ppm1 1.431 ppm2 2.183 CV 1 OR { 282} (( segid "RN15" and resid 156 and name HG11)) (( segid "RN15" and resid 156 and name HB )) OR { 282} (( segid "RN15" and resid 156 and name HG11)) (( segid "RN15" and resid 161 and name HG1 )) OR { 282} (( segid "RN15" and resid 156 and name HG12)) (( segid "RN15" and resid 161 and name HG1 )) ASSI { 287} ( segid "RN15" and resid 212 and name HD2%) ( segid "RN15" and resid 215 and name HG2%) 2.800 1.000 1.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.83936E-02 ppm1 0.715 ppm2 1.360 CV 1 OR { 287} ( segid "RN15" and resid 212 and name HD2%) (( segid "RN15" and resid 169 and name HB2 )) OR { 287} ( segid "RN14" and resid 653 and name HD2%) (( segid "RN15" and resid 224 and name HB2 )) OR { 287} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 224 and name HB2 )) OR { 287} ( segid "RN14" and resid 653 and name HD2%) (( segid "RN14" and resid 658 and name HB2 )) OR { 287} ( segid "RN15" and resid 214 and name HD2%) ( segid "RN15" and resid 210 and name HB% ) ASSI { 288} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN14" and resid 652 and name HG )) 2.100 0.500 0.500 peak 288 spectrum 1 weight 0.10000E+01 volume 0.16858E-01 ppm1 0.957 ppm2 1.606 CV 1 OR { 288} ( segid "RN14" and resid 658 and name HD1%) (( segid "RN14" and resid 658 and name HG )) OR { 288} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN14" and resid 652 and name HB1 )) OR { 288} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN14" and resid 652 and name HB2 )) ASSI { 289} ( segid "RN15" and resid 176 and name HG2%) (( segid "RN15" and resid 172 and name HG2 )) 3.000 1.100 1.100 peak 289 spectrum 1 weight 0.10000E+01 volume 0.59198E-02 ppm1 1.159 ppm2 1.440 CV 1 OR { 289} ( segid "RN15" and resid 176 and name HG2%) (( segid "RN15" and resid 178 and name HB2 )) ASSI { 290} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN15" and resid 181 and name HB2 )) 2.900 1.100 1.100 peak 290 spectrum 1 weight 0.10000E+01 volume 0.54645E-02 ppm1 1.105 ppm2 1.392 CV 1 OR { 290} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN15" and resid 215 and name HG2%) ASSI { 292} ( segid "RN15" and resid 199 and name HD2%) (( segid "RN15" and resid 205 and name HB1 )) 2.000 0.500 0.500 peak 292 spectrum 1 weight 0.10000E+01 volume 0.59866E-02 ppm1 0.918 ppm2 1.524 CV 1 OR { 292} ( segid "RN15" and resid 199 and name HD2%) (( segid "RN15" and resid 199 and name HB2 )) ASSI { 293} ( segid "RN15" and resid 201 and name HD2%) ( segid "RN15" and resid 138 and name HB% ) 2.600 0.900 0.900 peak 293 spectrum 1 weight 0.10000E+01 volume 0.94749E-02 ppm1 0.969 ppm2 1.393 CV 1 OR { 293} ( segid "RN15" and resid 141 and name HD1%) ( segid "RN15" and resid 138 and name HB% ) OR { 293} ( segid "RN15" and resid 199 and name HD1%) ( segid "RN15" and resid 195 and name HB% ) OR { 293} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 148 and name HB2 )) OR { 293} ( segid "RN15" and resid 199 and name HD1%) (( segid "RN14" and resid 658 and name HB2 )) OR { 293} ( segid "RN15" and resid 213 and name HD1%) (( segid "RN15" and resid 224 and name HB2 )) ASSI { 294} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 141 and name HG )) 2.100 0.500 0.500 peak 294 spectrum 1 weight 0.10000E+01 volume 0.12194E-01 ppm1 0.996 ppm2 1.703 CV 1 OR { 294} ( segid "RN15" and resid 201 and name HD2%) (( segid "RN15" and resid 141 and name HG )) OR { 294} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 148 and name HB1 )) ASSI { 296} ( segid "RN14" and resid 659 and name HG2%) ( segid "RN15" and resid 195 and name HB% ) 2.200 0.600 0.600 peak 296 spectrum 1 weight 0.10000E+01 volume 0.13526E-01 ppm1 1.004 ppm2 1.394 CV 1 OR { 296} ( segid "RN15" and resid 201 and name HD2%) ( segid "RN15" and resid 138 and name HB% ) OR { 296} ( segid "RN15" and resid 141 and name HD1%) ( segid "RN15" and resid 138 and name HB% ) OR { 296} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 148 and name HB2 )) ASSI { 298} ( segid "RN15" and resid 224 and name HD1%) (( segid "RN14" and resid 653 and name HB1 )) 3.700 1.800 1.800 peak 298 spectrum 1 weight 0.10000E+01 volume 0.55786E-02 ppm1 0.812 ppm2 1.482 CV 1 OR { 298} ( segid "RN15" and resid 224 and name HD1%) (( segid "RN15" and resid 227 and name HB1 )) OR { 298} ( segid "RN15" and resid 224 and name HD1%) ( segid "RN15" and resid 228 and name HB% ) ASSI { 299} ( segid "RN15" and resid 214 and name HD1%) (( segid "RN15" and resid 214 and name HB2 )) 2.400 0.700 0.700 peak 299 spectrum 1 weight 0.10000E+01 volume 0.10145E-01 ppm1 0.822 ppm2 1.544 CV 1 OR { 299} ( segid "RN15" and resid 214 and name HD1%) (( segid "RN15" and resid 213 and name HB2 )) OR { 299} ( segid "RN15" and resid 169 and name HD1%) (( segid "RN14" and resid 638 and name HB2 )) ASSI { 301} ( segid "RN15" and resid 205 and name HD2%) (( segid "RN15" and resid 205 and name HB1 )) 2.200 0.600 0.600 peak 301 spectrum 1 weight 0.10000E+01 volume 0.64264E-02 ppm1 0.630 ppm2 1.503 CV 1 OR { 301} ( segid "RN15" and resid 205 and name HD2%) (( segid "RN14" and resid 638 and name HB1 )) ASSI { 302} ( segid "RN15" and resid 148 and name HD1%) (( segid "RN15" and resid 148 and name HB1 )) 2.500 0.800 0.800 peak 302 spectrum 1 weight 0.10000E+01 volume 0.59352E-02 ppm1 0.749 ppm2 1.697 CV 1 OR { 302} ( segid "RN15" and resid 148 and name HD1%) (( segid "RN15" and resid 141 and name HG )) ASSI { 307} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 145 and name HB2 )) 3.100 1.200 1.200 peak 307 spectrum 1 weight 0.10000E+01 volume 0.57610E-02 ppm1 0.984 ppm2 2.861 CV 1 OR { 307} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 202 and name HB1 )) OR { 307} ( segid "RN15" and resid 201 and name HD2%) (( segid "RN15" and resid 202 and name HB1 )) OR { 307} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 144 and name HE2 )) OR { 307} ( segid "RN14" and resid 659 and name HG2%) (( segid "RN14" and resid 660 and name HB1 )) ASSI { 311} (( segid "RN14" and resid 672 and name HB2 )) (( segid "RN14" and resid 672 and name HG1 )) 2.300 0.600 0.600 peak 311 spectrum 1 weight 0.10000E+01 volume 0.12478E-01 ppm1 1.971 ppm2 2.285 CV 1 OR { 311} (( segid "RN14" and resid 665 and name HB2 )) (( segid "RN14" and resid 665 and name HG1 )) OR { 311} (( segid "RN14" and resid 665 and name HB2 )) (( segid "RN14" and resid 665 and name HG2 )) OR { 311} (( segid "RN14" and resid 672 and name HB2 )) (( segid "RN14" and resid 672 and name HG2 )) ASSI { 313} (( segid "RN14" and resid 665 and name HB1 )) (( segid "RN14" and resid 665 and name HB2 )) 1.800 0.400 0.400 peak 313 spectrum 1 weight 0.10000E+01 volume 0.98233E-02 ppm1 1.602 ppm2 1.951 CV 1 OR { 313} (( segid "RN15" and resid 189 and name HB1 )) (( segid "RN15" and resid 189 and name HG2 )) ASSI { 314} ( segid "RN15" and resid 181 and name HD1%) (( segid "RN15" and resid 181 and name HG )) 1.900 0.500 0.500 peak 314 spectrum 1 weight 0.10000E+01 volume 0.93641E-02 ppm1 0.940 ppm2 2.105 CV 1 OR { 314} (( segid "RN15" and resid 152 and name HG11)) (( segid "RN14" and resid 643 and name HB1 )) OR { 314} (( segid "RN15" and resid 152 and name HG11)) (( segid "RN14" and resid 643 and name HB2 )) OR { 314} (( segid "RN15" and resid 152 and name HG11)) (( segid "RN15" and resid 164 and name HB1 )) OR { 314} ( segid "RN15" and resid 213 and name HD1%) (( segid "RN15" and resid 181 and name HG )) OR { 314} ( segid "RN15" and resid 213 and name HD1%) (( segid "RN15" and resid 211 and name HG2 )) ASSI { 315} (( segid "RN14" and resid 668 and name HG11)) (( segid "RN14" and resid 668 and name HB )) 2.500 0.800 0.800 peak 315 spectrum 1 weight 0.10000E+01 volume 0.39996E-02 ppm1 1.344 ppm2 1.988 CV 1 OR { 315} (( segid "RN14" and resid 668 and name HG11)) (( segid "RN15" and resid 185 and name HG2 )) OR { 315} (( segid "RN14" and resid 638 and name HG )) (( segid "RN15" and resid 204 and name HG2 )) OR { 315} (( segid "RN14" and resid 638 and name HG )) (( segid "RN15" and resid 169 and name HG )) OR { 315} (( segid "RN14" and resid 638 and name HG )) (( segid "RN14" and resid 642 and name HB )) ASSI { 317} (( segid "RN14" and resid 669 and name HG1 )) (( segid "RN14" and resid 669 and name HB1 )) 2.000 0.500 0.500 peak 317 spectrum 1 weight 0.10000E+01 volume 0.13495E-01 ppm1 2.055 ppm2 2.329 CV 1 OR { 317} (( segid "RN15" and resid 231 and name HG1 )) (( segid "RN15" and resid 231 and name HB1 )) OR { 317} (( segid "RN14" and resid 669 and name HG2 )) (( segid "RN14" and resid 669 and name HB1 )) ASSI { 318} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN15" and resid 147 and name HB2 )) 2.900 1.000 1.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.97342E-02 ppm1 0.722 ppm2 2.100 CV 1 OR { 318} ( segid "RN15" and resid 212 and name HD2%) (( segid "RN15" and resid 181 and name HG )) OR { 318} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 221 and name HB )) OR { 318} ( segid "RN15" and resid 214 and name HD2%) (( segid "RN15" and resid 220 and name HB2 )) ASSI { 320} ( segid "RN15" and resid 212 and name HD2%) (( segid "RN15" and resid 169 and name HB1 )) 1.800 0.400 0.400 peak 320 spectrum 1 weight 0.10000E+01 volume 0.15906E-01 ppm1 0.738 ppm2 1.924 CV 1 OR { 320} ( segid "RN15" and resid 212 and name HD2%) (( segid "RN15" and resid 212 and name HG )) OR { 320} ( segid "RN14" and resid 636 and name HD2%) (( segid "RN14" and resid 636 and name HB1 )) ASSI { 323} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 141 and name HG )) 2.000 0.500 0.500 peak 323 spectrum 1 weight 0.10000E+01 volume 0.92076E-02 ppm1 0.965 ppm2 1.704 CV 1 OR { 323} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 148 and name HB1 )) ASSI { 328} (( segid "RN14" and resid 636 and name HG )) (( segid "RN14" and resid 636 and name HB1 )) 2.700 0.900 0.900 peak 328 spectrum 1 weight 0.10000E+01 volume 0.64156E-02 ppm1 1.477 ppm2 1.931 CV 1 OR { 328} (( segid "RN15" and resid 227 and name HG )) (( segid "RN14" and resid 657 and name HB2 )) ASSI { 329} (( segid "RN15" and resid 227 and name HG )) (( segid "RN15" and resid 227 and name HB2 )) 2.200 0.600 0.600 peak 329 spectrum 1 weight 0.10000E+01 volume 0.77339E-02 ppm1 1.437 ppm2 1.839 CV 1 OR { 329} (( segid "RN14" and resid 657 and name HG1 )) (( segid "RN14" and resid 657 and name HD1 )) OR { 329} (( segid "RN14" and resid 657 and name HG1 )) (( segid "RN14" and resid 657 and name HD2 )) OR { 329} (( segid "RN15" and resid 227 and name HG )) (( segid "RN15" and resid 224 and name HB1 )) ASSI { 332} (( segid "RN15" and resid 169 and name HB2 )) (( segid "RN15" and resid 169 and name HB1 )) 1.800 0.400 0.400 peak 332 spectrum 1 weight 0.10000E+01 volume 0.62574E-02 ppm1 1.334 ppm2 1.940 CV 1 OR { 332} (( segid "RN15" and resid 169 and name HB2 )) (( segid "RN15" and resid 169 and name HG )) OR { 332} (( segid "RN15" and resid 169 and name HB2 )) (( segid "RN15" and resid 212 and name HG )) ASSI { 333} (( segid "RN15" and resid 181 and name HB2 )) (( segid "RN15" and resid 181 and name HB1 )) 1.700 0.400 0.500 peak 333 spectrum 1 weight 0.10000E+01 volume 0.41016E-02 ppm1 1.396 ppm2 2.220 CV 1 OR { 333} (( segid "RN15" and resid 181 and name HB2 )) (( segid "RN15" and resid 182 and name HB1 )) OR { 333} (( segid "RN15" and resid 181 and name HB2 )) (( segid "RN15" and resid 212 and name HB1 )) ASSI { 334} (( segid "RN15" and resid 213 and name HB2 )) (( segid "RN15" and resid 213 and name HG )) 2.400 0.700 0.700 peak 334 spectrum 1 weight 0.10000E+01 volume 0.41225E-02 ppm1 1.524 ppm2 2.238 CV 1 OR { 334} (( segid "RN15" and resid 205 and name HB1 )) (( segid "RN15" and resid 198 and name HB1 )) OR { 334} (( segid "RN15" and resid 213 and name HB2 )) (( segid "RN15" and resid 212 and name HB1 )) ASSI { 337} (( segid "RN14" and resid 639 and name HB2 )) (( segid "RN14" and resid 639 and name HB1 )) 1.700 0.300 0.500 peak 337 spectrum 1 weight 0.10000E+01 volume 0.10153E-01 ppm1 1.395 ppm2 1.848 CV 1 OR { 337} (( segid "RN15" and resid 148 and name HB2 )) (( segid "RN15" and resid 148 and name HG )) ASSI { 342} ( segid "RN15" and resid 210 and name HB% ) ( segid "RN15" and resid 213 and name HD1%) 3.600 1.600 1.600 peak 342 spectrum 1 weight 0.10000E+01 volume 0.42064E-02 ppm1 1.358 ppm2 0.948 CV 1 OR { 342} ( segid "RN15" and resid 210 and name HB% ) ( segid "RN14" and resid 658 and name HD1%) OR { 342} ( segid "RN15" and resid 210 and name HB% ) ( segid "RN14" and resid 652 and name HD2%) ASSI { 343} ( segid "RN15" and resid 170 and name HB% ) ( segid "RN15" and resid 165 and name HG2%) 3.700 1.700 1.700 peak 343 spectrum 1 weight 0.10000E+01 volume 0.47250E-02 ppm1 1.493 ppm2 0.916 CV 1 OR { 343} ( segid "RN15" and resid 170 and name HB% ) ( segid "RN15" and resid 181 and name HD1%) OR { 343} ( segid "RN15" and resid 170 and name HB% ) ( segid "RN14" and resid 641 and name HG2%) ASSI { 346} ( segid "RN15" and resid 196 and name HB% ) ( segid "RN14" and resid 659 and name HG2%) 2.800 1.000 1.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.48692E-02 ppm1 1.508 ppm2 1.008 CV 1 OR { 346} ( segid "RN15" and resid 196 and name HB% ) ( segid "RN15" and resid 199 and name HD1%) ASSI { 354} ( segid "RN15" and resid 165 and name HG2%) ( segid "RN15" and resid 169 and name HD2%) 3.200 1.300 1.300 peak 354 spectrum 1 weight 0.10000E+01 volume 0.48268E-02 ppm1 0.900 ppm2 0.610 CV 1 OR { 354} ( segid "RN14" and resid 641 and name HG2%) ( segid "RN15" and resid 169 and name HD2%) ASSI { 360} ( segid "RN15" and resid 198 and name HD1%) ( segid "RN15" and resid 148 and name HD1%) 2.500 0.800 0.800 peak 360 spectrum 1 weight 0.10000E+01 volume 0.64956E-02 ppm1 0.255 ppm2 0.733 CV 1 OR { 360} ( segid "RN15" and resid 198 and name HD1%) ( segid "RN14" and resid 636 and name HD2%) ASSI { 365} ( segid "RN14" and resid 666 and name HG2%) ( segid "RN15" and resid 213 and name HD1%) 2.400 0.700 0.700 peak 365 spectrum 1 weight 0.10000E+01 volume 0.92338E-02 ppm1 0.482 ppm2 0.942 CV 1 OR { 365} ( segid "RN14" and resid 666 and name HG2%) ( segid "RN14" and resid 658 and name HD1%) ASSI { 373} (( segid "RN15" and resid 152 and name HG12)) (( segid "RN15" and resid 152 and name HG11)) 1.900 0.500 0.500 peak 373 spectrum 1 weight 0.10000E+01 volume 0.60369E-02 ppm1 0.395 ppm2 0.937 CV 1 OR { 373} ( segid "RN15" and resid 227 and name HD1%) ( segid "RN14" and resid 658 and name HD1%) ASSI { 379} (( segid "RN15" and resid 199 and name HG )) ( segid "RN15" and resid 199 and name HD2%) 2.200 0.600 0.600 peak 379 spectrum 1 weight 0.10000E+01 volume 0.63128E-02 ppm1 2.011 ppm2 0.917 CV 1 OR { 379} (( segid "RN15" and resid 177 and name HB2 )) ( segid "RN15" and resid 181 and name HD1%) OR { 379} (( segid "RN15" and resid 231 and name HG2 )) ( segid "RN15" and resid 225 and name HD1%) OR { 379} (( segid "RN15" and resid 231 and name HG2 )) ( segid "RN15" and resid 225 and name HG2%) OR { 379} (( segid "RN15" and resid 192 and name HG2 )) ( segid "RN14" and resid 659 and name HG1%) ASSI { 380} (( segid "RN15" and resid 199 and name HG )) ( segid "RN15" and resid 199 and name HD1%) 2.200 0.600 0.600 peak 380 spectrum 1 weight 0.10000E+01 volume 0.72204E-02 ppm1 1.992 ppm2 1.001 CV 1 OR { 380} (( segid "RN15" and resid 199 and name HG )) ( segid "RN14" and resid 659 and name HG2%) ASSI { 383} (( segid "RN15" and resid 231 and name HG1 )) ( segid "RN15" and resid 225 and name HD1%) 2.700 0.900 0.900 peak 383 spectrum 1 weight 0.10000E+01 volume 0.45208E-02 ppm1 2.056 ppm2 0.867 CV 1 OR { 383} (( segid "RN14" and resid 669 and name HG2 )) ( segid "RN15" and resid 178 and name HD1%) OR { 383} (( segid "RN14" and resid 669 and name HG1 )) ( segid "RN15" and resid 213 and name HD2%) OR { 383} (( segid "RN14" and resid 669 and name HG1 )) ( segid "RN15" and resid 178 and name HD1%) ASSI { 384} (( segid "RN15" and resid 201 and name HG )) ( segid "RN15" and resid 201 and name HD2%) 2.400 0.700 0.700 peak 384 spectrum 1 weight 0.10000E+01 volume 0.63996E-02 ppm1 1.942 ppm2 0.988 CV 1 OR { 384} (( segid "RN15" and resid 201 and name HG )) ( segid "RN15" and resid 141 and name HD1%) ASSI { 386} (( segid "RN15" and resid 141 and name HG )) ( segid "RN15" and resid 141 and name HD1%) 2.000 0.500 0.500 peak 386 spectrum 1 weight 0.10000E+01 volume 0.98924E-02 ppm1 1.697 ppm2 0.978 CV 1 OR { 386} (( segid "RN15" and resid 141 and name HG )) ( segid "RN15" and resid 141 and name HD2%) OR { 386} (( segid "RN15" and resid 141 and name HG )) ( segid "RN15" and resid 201 and name HD2%) ASSI { 388} (( segid "RN15" and resid 181 and name HG )) ( segid "RN15" and resid 176 and name HG1%) 2.800 2.800 3.200 peak 388 spectrum 1 weight 0.10000E+01 volume 0.30791E-02 ppm1 2.080 ppm2 1.063 CV 1 OR { 388} (( segid "RN15" and resid 181 and name HG )) ( segid "RN14" and resid 658 and name HD2%) ASSI { 389} (( segid "RN15" and resid 181 and name HG )) ( segid "RN15" and resid 181 and name HD1%) 2.100 0.500 0.500 peak 389 spectrum 1 weight 0.10000E+01 volume 0.66618E-02 ppm1 2.091 ppm2 0.926 CV 1 OR { 389} (( segid "RN15" and resid 231 and name HG1 )) ( segid "RN15" and resid 225 and name HG2%) ASSI { 390} (( segid "RN15" and resid 213 and name HG )) ( segid "RN15" and resid 213 and name HD1%) 2.300 0.700 0.700 peak 390 spectrum 1 weight 0.10000E+01 volume 0.53139E-02 ppm1 2.207 ppm2 0.939 CV 1 OR { 390} (( segid "RN15" and resid 213 and name HG )) ( segid "RN15" and resid 181 and name HD1%) ASSI { 392} (( segid "RN14" and resid 636 and name HG )) ( segid "RN14" and resid 636 and name HD1%) 2.300 0.700 0.700 peak 392 spectrum 1 weight 0.10000E+01 volume 0.73421E-02 ppm1 1.480 ppm2 0.851 CV 1 OR { 392} (( segid "RN15" and resid 205 and name HG )) ( segid "RN14" and resid 639 and name HD2%) ASSI { 395} (( segid "RN15" and resid 214 and name HG )) ( segid "RN15" and resid 214 and name HD2%) 2.300 0.700 0.700 peak 395 spectrum 1 weight 0.10000E+01 volume 0.41904E-02 ppm1 1.763 ppm2 0.689 CV 1 OR { 395} (( segid "RN14" and resid 639 and name HG )) ( segid "RN15" and resid 198 and name HD2%) ASSI { 396} (( segid "RN15" and resid 169 and name HG )) ( segid "RN15" and resid 169 and name HD2%) 2.200 0.600 0.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.48365E-02 ppm1 1.950 ppm2 0.621 CV 1 OR { 396} (( segid "RN15" and resid 212 and name HG )) ( segid "RN15" and resid 169 and name HD2%) OR { 396} (( segid "RN15" and resid 212 and name HG )) ( segid "RN15" and resid 205 and name HD1%) ASSI { 397} (( segid "RN15" and resid 169 and name HG )) ( segid "RN15" and resid 169 and name HD1%) 2.100 0.500 0.500 peak 397 spectrum 1 weight 0.10000E+01 volume 0.67320E-02 ppm1 1.948 ppm2 0.797 CV 1 OR { 397} (( segid "RN15" and resid 212 and name HG )) ( segid "RN15" and resid 169 and name HD1%) ASSI { 398} (( segid "RN15" and resid 212 and name HG )) ( segid "RN15" and resid 212 and name HD1%) 2.000 0.500 0.500 peak 398 spectrum 1 weight 0.10000E+01 volume 0.68811E-02 ppm1 1.931 ppm2 0.692 CV 1 OR { 398} (( segid "RN15" and resid 212 and name HG )) ( segid "RN15" and resid 208 and name HG1%) ASSI { 400} (( segid "RN15" and resid 214 and name HG )) ( segid "RN15" and resid 214 and name HD2%) 2.300 0.600 0.600 peak 400 spectrum 1 weight 0.10000E+01 volume 0.53157E-02 ppm1 1.764 ppm2 0.729 CV 1 OR { 400} (( segid "RN14" and resid 639 and name HG )) ( segid "RN14" and resid 636 and name HD2%) ASSI { 401} (( segid "RN15" and resid 212 and name HG )) ( segid "RN15" and resid 212 and name HD2%) 2.200 0.600 0.600 peak 401 spectrum 1 weight 0.10000E+01 volume 0.53607E-02 ppm1 1.949 ppm2 0.733 CV 1 OR { 401} (( segid "RN15" and resid 212 and name HG )) ( segid "RN15" and resid 208 and name HG1%) OR { 401} (( segid "RN15" and resid 169 and name HG )) ( segid "RN15" and resid 212 and name HD2%) ASSI { 403} (( segid "RN15" and resid 156 and name HG11)) ( segid "RN15" and resid 156 and name HG2%) 2.400 0.700 0.700 peak 403 spectrum 1 weight 0.10000E+01 volume 0.11988E-01 ppm1 1.432 ppm2 1.033 CV 1 OR { 403} (( segid "RN15" and resid 156 and name HG12)) ( segid "RN15" and resid 156 and name HG2%) OR { 403} (( segid "RN15" and resid 227 and name HG )) ( segid "RN14" and resid 658 and name HD2%) ASSI { 404} (( segid "RN15" and resid 156 and name HG11)) ( segid "RN15" and resid 156 and name HD1%) 2.500 0.800 0.800 peak 404 spectrum 1 weight 0.10000E+01 volume 0.63174E-02 ppm1 1.428 ppm2 0.970 CV 1 OR { 404} (( segid "RN15" and resid 156 and name HG12)) ( segid "RN15" and resid 156 and name HD1%) OR { 404} (( segid "RN15" and resid 227 and name HG )) ( segid "RN14" and resid 658 and name HD1%) ASSI { 405} (( segid "RN15" and resid 205 and name HG )) ( segid "RN15" and resid 199 and name HD2%) 2.200 0.600 0.600 peak 405 spectrum 1 weight 0.10000E+01 volume 0.85410E-02 ppm1 1.430 ppm2 0.935 CV 1 OR { 405} (( segid "RN15" and resid 156 and name HG11)) ( segid "RN15" and resid 156 and name HD1%) OR { 405} (( segid "RN15" and resid 156 and name HG12)) ( segid "RN15" and resid 156 and name HD1%) ASSI { 406} (( segid "RN14" and resid 638 and name HG )) ( segid "RN15" and resid 176 and name HG1%) 2.100 2.100 3.900 peak 406 spectrum 1 weight 0.10000E+01 volume 0.55763E-02 ppm1 1.350 ppm2 1.055 CV 1 OR { 406} (( segid "RN14" and resid 668 and name HG11)) ( segid "RN14" and resid 658 and name HD2%) OR { 406} (( segid "RN14" and resid 638 and name HG )) ( segid "RN14" and resid 658 and name HD2%) ASSI { 407} (( segid "RN14" and resid 636 and name HG )) ( segid "RN14" and resid 636 and name HD2%) 2.100 0.500 0.500 peak 407 spectrum 1 weight 0.10000E+01 volume 0.72472E-02 ppm1 1.509 ppm2 0.729 CV 1 OR { 407} (( segid "RN14" and resid 653 and name HG )) ( segid "RN14" and resid 653 and name HD2%) ASSI { 409} (( segid "RN14" and resid 668 and name HG11)) ( segid "RN14" and resid 668 and name HD1%) 2.200 0.600 0.600 peak 409 spectrum 1 weight 0.10000E+01 volume 0.76208E-02 ppm1 1.337 ppm2 0.643 CV 1 OR { 409} (( segid "RN14" and resid 638 and name HG )) ( segid "RN15" and resid 169 and name HD2%) OR { 409} (( segid "RN14" and resid 638 and name HG )) ( segid "RN15" and resid 205 and name HD1%) ASSI { 412} (( segid "RN15" and resid 218 and name HG11)) ( segid "RN15" and resid 218 and name HD1%) 2.400 0.700 0.700 peak 412 spectrum 1 weight 0.10000E+01 volume 0.64613E-02 ppm1 1.518 ppm2 0.929 CV 1 OR { 412} (( segid "RN15" and resid 144 and name HD1 )) (( segid "RN15" and resid 144 and name HG2 )) OR { 412} (( segid "RN15" and resid 144 and name HD2 )) (( segid "RN15" and resid 144 and name HG2 )) ASSI { 414} (( segid "RN15" and resid 172 and name HD2 )) ( segid "RN15" and resid 176 and name HG1%) 2.600 0.900 0.900 peak 414 spectrum 1 weight 0.10000E+01 volume 0.51056E-02 ppm1 1.495 ppm2 1.073 CV 1 OR { 414} (( segid "RN15" and resid 144 and name HD1 )) (( segid "RN15" and resid 144 and name HG1 )) OR { 414} (( segid "RN15" and resid 144 and name HD2 )) (( segid "RN15" and resid 144 and name HG1 )) ASSI { 415} (( segid "RN15" and resid 165 and name HG11)) ( segid "RN15" and resid 165 and name HD1%) 2.600 0.800 0.800 peak 415 spectrum 1 weight 0.10000E+01 volume 0.42923E-02 ppm1 1.962 ppm2 0.880 CV 1 OR { 415} (( segid "RN15" and resid 165 and name HG11)) ( segid "RN15" and resid 165 and name HG2%) OR { 415} (( segid "RN15" and resid 165 and name HG11)) ( segid "RN14" and resid 642 and name HG2%) ASSI { 416} (( segid "RN15" and resid 165 and name HG11)) (( segid "RN15" and resid 165 and name HG12)) 1.800 0.400 0.400 peak 416 spectrum 1 weight 0.10000E+01 volume 0.35962E-02 ppm1 1.967 ppm2 0.958 CV 1 OR { 416} (( segid "RN14" and resid 665 and name HB2 )) ( segid "RN14" and resid 658 and name HD1%) ASSI { 417} (( segid "RN14" and resid 635 and name HB )) ( segid "RN14" and resid 635 and name HG1%) 2.000 0.500 0.500 peak 417 spectrum 1 weight 0.10000E+01 volume 0.85690E-02 ppm1 2.013 ppm2 0.621 CV 1 OR { 417} (( segid "RN14" and resid 635 and name HB )) ( segid "RN14" and resid 635 and name HG2%) OR { 417} (( segid "RN14" and resid 635 and name HB )) ( segid "RN15" and resid 205 and name HD1%) ASSI { 420} (( segid "RN15" and resid 208 and name HB )) ( segid "RN15" and resid 208 and name HG2%) 2.000 0.500 0.500 peak 420 spectrum 1 weight 0.10000E+01 volume 0.14974E-01 ppm1 2.114 ppm2 1.013 CV 1 OR { 420} (( segid "RN15" and resid 221 and name HB )) ( segid "RN15" and resid 221 and name HG1%) ASSI { 428} (( segid "RN15" and resid 165 and name HB )) ( segid "RN15" and resid 165 and name HG2%) 2.300 0.700 0.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.74500E-02 ppm1 2.216 ppm2 0.886 CV 1 OR { 428} (( segid "RN15" and resid 165 and name HB )) ( segid "RN15" and resid 165 and name HD1%) OR { 428} (( segid "RN15" and resid 165 and name HB )) ( segid "RN14" and resid 642 and name HG2%) ASSI { 431} (( segid "RN14" and resid 642 and name HB )) (( segid "RN15" and resid 165 and name HG12)) 2.700 0.900 0.900 peak 431 spectrum 1 weight 0.10000E+01 volume 0.41296E-02 ppm1 1.967 ppm2 0.930 CV 1 OR { 431} (( segid "RN15" and resid 218 and name HB )) ( segid "RN15" and resid 218 and name HD1%) OR { 431} (( segid "RN15" and resid 218 and name HB )) ( segid "RN15" and resid 213 and name HD1%) OR { 431} (( segid "RN14" and resid 642 and name HB )) ( segid "RN14" and resid 641 and name HG2%) ASSI { 432} (( segid "RN14" and resid 642 and name HB )) ( segid "RN14" and resid 642 and name HG2%) 2.400 0.700 0.700 peak 432 spectrum 1 weight 0.10000E+01 volume 0.57193E-02 ppm1 1.972 ppm2 0.884 CV 1 OR { 432} (( segid "RN15" and resid 218 and name HB )) ( segid "RN15" and resid 213 and name HD2%) OR { 432} (( segid "RN15" and resid 218 and name HB )) ( segid "RN15" and resid 218 and name HD1%) OR { 432} (( segid "RN14" and resid 642 and name HB )) ( segid "RN15" and resid 165 and name HG2%) OR { 432} (( segid "RN14" and resid 642 and name HB )) ( segid "RN15" and resid 165 and name HD1%) ASSI { 433} (( segid "RN15" and resid 218 and name HB )) ( segid "RN15" and resid 218 and name HG2%) 2.200 0.600 0.600 peak 433 spectrum 1 weight 0.10000E+01 volume 0.72135E-02 ppm1 1.963 ppm2 1.027 CV 1 OR { 433} (( segid "RN14" and resid 642 and name HB )) ( segid "RN15" and resid 208 and name HG2%) ASSI { 436} (( segid "RN15" and resid 214 and name HB1 )) ( segid "RN15" and resid 214 and name HD1%) 2.400 0.700 0.700 peak 436 spectrum 1 weight 0.10000E+01 volume 0.85416E-02 ppm1 1.887 ppm2 0.805 CV 1 OR { 436} (( segid "RN15" and resid 205 and name HB2 )) ( segid "RN14" and resid 639 and name HD1%) OR { 436} (( segid "RN15" and resid 214 and name HB1 )) ( segid "RN15" and resid 224 and name HD1%) ASSI { 438} (( segid "RN15" and resid 214 and name HB1 )) ( segid "RN15" and resid 214 and name HD2%) 2.900 1.000 1.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.31475E-02 ppm1 1.897 ppm2 0.681 CV 1 OR { 438} (( segid "RN15" and resid 213 and name HB1 )) ( segid "RN15" and resid 214 and name HD2%) OR { 438} (( segid "RN15" and resid 205 and name HB2 )) ( segid "RN15" and resid 198 and name HD2%) OR { 438} (( segid "RN15" and resid 205 and name HB2 )) ( segid "RN15" and resid 208 and name HG1%) ASSI { 441} (( segid "RN15" and resid 212 and name HB1 )) ( segid "RN15" and resid 212 and name HD1%) 2.500 0.800 0.800 peak 441 spectrum 1 weight 0.10000E+01 volume 0.32261E-02 ppm1 2.259 ppm2 0.688 CV 1 OR { 441} (( segid "RN15" and resid 212 and name HB1 )) ( segid "RN15" and resid 208 and name HG1%) ASSI { 442} (( segid "RN15" and resid 181 and name HB1 )) (( segid "RN15" and resid 181 and name HB2 )) 1.800 0.400 0.400 peak 442 spectrum 1 weight 0.10000E+01 volume 0.40395E-02 ppm1 2.225 ppm2 1.390 CV 1 OR { 442} (( segid "RN15" and resid 212 and name HB1 )) ( segid "RN15" and resid 215 and name HG2%) OR { 442} (( segid "RN15" and resid 212 and name HB1 )) (( segid "RN15" and resid 181 and name HB2 )) ASSI { 447} (( segid "RN15" and resid 198 and name HB2 )) ( segid "RN15" and resid 198 and name HD2%) 2.700 0.900 0.900 peak 447 spectrum 1 weight 0.10000E+01 volume 0.34225E-02 ppm1 1.502 ppm2 0.687 CV 1 OR { 447} (( segid "RN14" and resid 638 and name HB1 )) ( segid "RN15" and resid 208 and name HG1%) OR { 447} (( segid "RN14" and resid 638 and name HB2 )) ( segid "RN15" and resid 208 and name HG1%) OR { 447} (( segid "RN14" and resid 638 and name HB2 )) ( segid "RN15" and resid 212 and name HD1%) OR { 447} (( segid "RN14" and resid 638 and name HB1 )) ( segid "RN15" and resid 212 and name HD1%) ASSI { 448} (( segid "RN15" and resid 181 and name HB2 )) ( segid "RN15" and resid 181 and name HD1%) 2.400 0.700 0.700 peak 448 spectrum 1 weight 0.10000E+01 volume 0.34755E-02 ppm1 1.402 ppm2 0.930 CV 1 OR { 448} (( segid "RN15" and resid 181 and name HB2 )) ( segid "RN15" and resid 218 and name HD1%) ASSI { 450} (( segid "RN15" and resid 213 and name HB2 )) ( segid "RN15" and resid 213 and name HD1%) 2.500 0.800 0.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.68828E-02 ppm1 1.525 ppm2 0.937 CV 1 OR { 450} (( segid "RN14" and resid 653 and name HB1 )) ( segid "RN14" and resid 658 and name HD1%) OR { 450} (( segid "RN15" and resid 213 and name HB2 )) ( segid "RN15" and resid 181 and name HD1%) ASSI { 451} (( segid "RN14" and resid 662 and name HB2 )) ( segid "RN14" and resid 662 and name HD2%) 2.400 0.700 0.700 peak 451 spectrum 1 weight 0.10000E+01 volume 0.77111E-02 ppm1 1.505 ppm2 0.800 CV 1 OR { 451} (( segid "RN15" and resid 213 and name HB2 )) ( segid "RN15" and resid 224 and name HD1%) OR { 451} (( segid "RN15" and resid 205 and name HB1 )) ( segid "RN14" and resid 639 and name HD1%) OR { 451} (( segid "RN15" and resid 213 and name HB2 )) ( segid "RN15" and resid 214 and name HD1%) ASSI { 454} (( segid "RN14" and resid 653 and name HB1 )) ( segid "RN14" and resid 653 and name HD1%) 2.400 0.700 0.700 peak 454 spectrum 1 weight 0.10000E+01 volume 0.61883E-02 ppm1 1.514 ppm2 0.670 CV 1 OR { 454} (( segid "RN15" and resid 205 and name HB1 )) ( segid "RN15" and resid 205 and name HD1%) OR { 454} (( segid "RN15" and resid 205 and name HB1 )) ( segid "RN15" and resid 198 and name HD2%) ASSI { 455} (( segid "RN15" and resid 201 and name HB1 )) ( segid "RN15" and resid 201 and name HD2%) 2.600 0.900 0.900 peak 455 spectrum 1 weight 0.10000E+01 volume 0.45093E-02 ppm1 1.900 ppm2 0.977 CV 1 OR { 455} (( segid "RN15" and resid 201 and name HB1 )) ( segid "RN15" and resid 141 and name HD1%) ASSI { 461} (( segid "RN15" and resid 227 and name HB1 )) ( segid "RN14" and resid 653 and name HD2%) 3.300 1.400 1.400 peak 461 spectrum 1 weight 0.10000E+01 volume 0.31234E-02 ppm1 1.449 ppm2 0.733 CV 1 OR { 461} (( segid "RN14" and resid 638 and name HB1 )) ( segid "RN15" and resid 208 and name HG1%) ASSI { 462} (( segid "RN14" and resid 658 and name HB1 )) (( segid "RN14" and resid 658 and name HB2 )) 1.700 0.400 0.500 peak 462 spectrum 1 weight 0.10000E+01 volume 0.39041E-02 ppm1 2.062 ppm2 1.375 CV 1 OR { 462} (( segid "RN14" and resid 658 and name HB1 )) ( segid "RN15" and resid 210 and name HB% ) ASSI { 464} (( segid "RN15" and resid 205 and name HB1 )) ( segid "RN15" and resid 205 and name HD2%) 2.600 0.800 0.800 peak 464 spectrum 1 weight 0.10000E+01 volume 0.49435E-02 ppm1 1.507 ppm2 0.630 CV 1 OR { 464} (( segid "RN15" and resid 205 and name HB1 )) ( segid "RN15" and resid 205 and name HD1%) OR { 464} (( segid "RN14" and resid 662 and name HB2 )) ( segid "RN15" and resid 188 and name HG2%) OR { 464} (( segid "RN15" and resid 205 and name HB1 )) ( segid "RN14" and resid 635 and name HG1%) OR { 464} (( segid "RN14" and resid 662 and name HB2 )) ( segid "RN14" and resid 668 and name HD1%) ASSI { 468} (( segid "RN14" and resid 627 and name HB1 )) (( segid "RN14" and resid 627 and name HG1 )) 2.100 0.500 0.500 peak 468 spectrum 1 weight 0.10000E+01 volume 0.23643E-01 ppm1 1.891 ppm2 1.679 CV 1 OR { 468} (( segid "RN15" and resid 230 and name HB1 )) (( segid "RN15" and resid 230 and name HG1 )) OR { 468} (( segid "RN15" and resid 230 and name HB1 )) (( segid "RN15" and resid 230 and name HG2 )) OR { 468} (( segid "RN14" and resid 627 and name HB1 )) (( segid "RN14" and resid 627 and name HG2 )) ASSI { 470} (( segid "RN15" and resid 173 and name HB2 )) (( segid "RN15" and resid 173 and name HB1 )) 1.700 0.400 0.500 peak 470 spectrum 1 weight 0.10000E+01 volume 0.16100E-01 ppm1 2.616 ppm2 2.007 CV 1 OR { 470} (( segid "RN15" and resid 177 and name HG2 )) (( segid "RN15" and resid 177 and name HB2 )) OR { 470} (( segid "RN15" and resid 177 and name HG2 )) (( segid "RN15" and resid 174 and name HB1 )) ASSI { 472} (( segid "RN15" and resid 164 and name HG2 )) (( segid "RN15" and resid 164 and name HB2 )) 2.400 0.700 0.700 peak 472 spectrum 1 weight 0.10000E+01 volume 0.10041E-01 ppm1 2.611 ppm2 2.194 CV 1 OR { 472} (( segid "RN15" and resid 163 and name HG1 )) (( segid "RN15" and resid 163 and name HB1 )) OR { 472} (( segid "RN15" and resid 173 and name HB2 )) (( segid "RN15" and resid 173 and name HG1 )) ASSI { 473} (( segid "RN15" and resid 173 and name HB2 )) (( segid "RN15" and resid 173 and name HG2 )) 2.200 0.600 0.600 peak 473 spectrum 1 weight 0.10000E+01 volume 0.13332E-01 ppm1 2.619 ppm2 2.114 CV 1 OR { 473} (( segid "RN15" and resid 163 and name HG1 )) (( segid "RN15" and resid 163 and name HB2 )) OR { 473} (( segid "RN15" and resid 164 and name HG2 )) (( segid "RN15" and resid 164 and name HB1 )) OR { 473} (( segid "RN15" and resid 173 and name HB2 )) (( segid "RN15" and resid 175 and name HB2 )) ASSI { 477} (( segid "RN14" and resid 669 and name HB1 )) (( segid "RN14" and resid 669 and name HB2 )) 1.600 0.300 0.600 peak 477 spectrum 1 weight 0.10000E+01 volume 0.27038E-01 ppm1 2.317 ppm2 1.988 CV 1 OR { 477} (( segid "RN15" and resid 231 and name HB1 )) (( segid "RN15" and resid 231 and name HB2 )) OR { 477} (( segid "RN15" and resid 231 and name HB1 )) (( segid "RN15" and resid 231 and name HG2 )) ASSI { 478} (( segid "RN14" and resid 669 and name HB1 )) (( segid "RN14" and resid 669 and name HB2 )) 1.500 0.300 0.700 peak 478 spectrum 1 weight 0.10000E+01 volume 0.29874E-01 ppm1 2.329 ppm2 1.961 CV 1 OR { 478} (( segid "RN15" and resid 231 and name HB1 )) (( segid "RN15" and resid 231 and name HB2 )) OR { 478} (( segid "RN15" and resid 149 and name HB2 )) (( segid "RN15" and resid 149 and name HG1 )) ASSI { 480} (( segid "RN15" and resid 177 and name HG2 )) (( segid "RN15" and resid 177 and name HB1 )) 2.600 0.800 0.800 peak 480 spectrum 1 weight 0.10000E+01 volume 0.38542E-02 ppm1 2.646 ppm2 1.798 CV 1 OR { 480} (( segid "RN15" and resid 177 and name HG2 )) (( segid "RN15" and resid 174 and name HB2 )) OR { 480} (( segid "RN15" and resid 177 and name HG2 )) (( segid "RN15" and resid 174 and name HD1 )) OR { 480} (( segid "RN15" and resid 177 and name HG2 )) (( segid "RN15" and resid 174 and name HD2 )) ASSI { 491} (( segid "RN15" and resid 147 and name HG1 )) (( segid "RN15" and resid 147 and name HB2 )) 1.900 0.500 0.500 peak 491 spectrum 1 weight 0.10000E+01 volume 0.36121E-01 ppm1 2.306 ppm2 2.071 CV 1 OR { 491} (( segid "RN14" and resid 672 and name HG2 )) (( segid "RN14" and resid 672 and name HB1 )) OR { 491} (( segid "RN15" and resid 193 and name HG2 )) (( segid "RN15" and resid 193 and name HB1 )) OR { 491} (( segid "RN14" and resid 630 and name HG1 )) (( segid "RN14" and resid 630 and name HB1 )) OR { 491} (( segid "RN14" and resid 630 and name HG2 )) (( segid "RN14" and resid 630 and name HB1 )) OR { 491} (( segid "RN15" and resid 147 and name HG2 )) (( segid "RN15" and resid 147 and name HB2 )) OR { 491} (( segid "RN14" and resid 672 and name HG1 )) (( segid "RN14" and resid 672 and name HB1 )) ASSI { 492} (( segid "RN14" and resid 672 and name HG1 )) (( segid "RN14" and resid 672 and name HB2 )) 2.400 0.700 0.700 peak 492 spectrum 1 weight 0.10000E+01 volume 0.11998E-01 ppm1 2.281 ppm2 1.979 CV 1 OR { 492} (( segid "RN15" and resid 147 and name HG2 )) (( segid "RN15" and resid 147 and name HB1 )) OR { 492} (( segid "RN15" and resid 147 and name HG1 )) (( segid "RN15" and resid 147 and name HB1 )) OR { 492} (( segid "RN14" and resid 672 and name HG2 )) (( segid "RN14" and resid 672 and name HB2 )) OR { 492} (( segid "RN15" and resid 193 and name HG2 )) (( segid "RN15" and resid 193 and name HB2 )) ASSI { 496} (( segid "RN15" and resid 227 and name HB2 )) (( segid "RN15" and resid 227 and name HB1 )) 1.500 0.300 0.700 peak 496 spectrum 1 weight 0.10000E+01 volume 0.13908E-01 ppm1 1.852 ppm2 1.458 CV 1 OR { 496} (( segid "RN15" and resid 178 and name HB1 )) (( segid "RN15" and resid 178 and name HB2 )) OR { 496} (( segid "RN15" and resid 227 and name HB2 )) (( segid "RN15" and resid 227 and name HG )) OR { 496} (( segid "RN15" and resid 227 and name HB2 )) ( segid "RN15" and resid 228 and name HB% ) OR { 496} (( segid "RN15" and resid 224 and name HB1 )) (( segid "RN15" and resid 227 and name HG )) ASSI { 498} (( segid "RN15" and resid 199 and name HB1 )) (( segid "RN15" and resid 199 and name HB2 )) 1.900 0.400 0.400 peak 498 spectrum 1 weight 0.10000E+01 volume 0.55313E-02 ppm1 1.887 ppm2 1.552 CV 1 OR { 498} (( segid "RN15" and resid 199 and name HB1 )) ( segid "RN14" and resid 655 and name HB% ) ASSI { 499} (( segid "RN15" and resid 224 and name HB1 )) (( segid "RN15" and resid 224 and name HB2 )) 1.800 0.400 0.400 peak 499 spectrum 1 weight 0.10000E+01 volume 0.60186E-02 ppm1 1.846 ppm2 1.360 CV 1 OR { 499} (( segid "RN15" and resid 224 and name HB1 )) ( segid "RN15" and resid 210 and name HB% ) ASSI { 501} (( segid "RN14" and resid 644 and name HE2 )) (( segid "RN14" and resid 644 and name HD2 )) 2.700 0.900 0.900 peak 501 spectrum 1 weight 0.10000E+01 volume 0.45008E-02 ppm1 2.706 ppm2 1.681 CV 1 OR { 501} (( segid "RN14" and resid 644 and name HE2 )) (( segid "RN14" and resid 644 and name HD1 )) OR { 501} (( segid "RN14" and resid 654 and name HB2 )) (( segid "RN14" and resid 657 and name HG2 )) OR { 501} (( segid "RN14" and resid 644 and name HE2 )) (( segid "RN14" and resid 644 and name HG2 )) ASSI { 506} (( segid "RN15" and resid 220 and name HE2 )) (( segid "RN15" and resid 220 and name HD2 )) 1.900 0.400 0.400 peak 506 spectrum 1 weight 0.10000E+01 volume 0.36669E-01 ppm1 3.038 ppm2 1.762 CV 1 OR { 506} (( segid "RN15" and resid 174 and name HE2 )) (( segid "RN15" and resid 174 and name HD1 )) OR { 506} (( segid "RN15" and resid 174 and name HE2 )) (( segid "RN15" and resid 174 and name HD2 )) OR { 506} (( segid "RN15" and resid 220 and name HE2 )) (( segid "RN15" and resid 220 and name HD1 )) ASSI { 507} (( segid "RN14" and resid 675 and name HE2 )) (( segid "RN14" and resid 675 and name HB1 )) 3.000 1.100 1.100 peak 507 spectrum 1 weight 0.10000E+01 volume 0.66926E-02 ppm1 2.984 ppm2 1.891 CV 1 OR { 507} (( segid "RN14" and resid 675 and name HE2 )) (( segid "RN14" and resid 675 and name HB2 )) OR { 507} (( segid "RN15" and resid 183 and name HE2 )) (( segid "RN14" and resid 634 and name HB1 )) OR { 507} (( segid "RN15" and resid 183 and name HE2 )) (( segid "RN14" and resid 634 and name HB2 )) ASSI { 508} (( segid "RN14" and resid 626 and name HE2 )) (( segid "RN14" and resid 626 and name HD2 )) 2.100 0.500 0.500 peak 508 spectrum 1 weight 0.10000E+01 volume 0.25456E-01 ppm1 2.991 ppm2 1.691 CV 1 OR { 508} (( segid "RN14" and resid 626 and name HE2 )) (( segid "RN14" and resid 626 and name HD1 )) OR { 508} (( segid "RN15" and resid 183 and name HE2 )) (( segid "RN15" and resid 183 and name HB2 )) ASSI { 510} (( segid "RN15" and resid 223 and name HB1 )) (( segid "RN15" and resid 224 and name HG )) 3.100 3.100 2.900 peak 510 spectrum 1 weight 0.10000E+01 volume 0.57142E-02 ppm1 2.820 ppm2 1.604 CV 1 OR { 510} (( segid "RN15" and resid 223 and name HB1 )) (( segid "RN14" and resid 665 and name HB1 )) ASSI { 516} (( segid "RN15" and resid 179 and name HE2 )) (( segid "RN15" and resid 179 and name HB2 )) 3.700 1.700 1.700 peak 516 spectrum 1 weight 0.10000E+01 volume 0.44159E-02 ppm1 3.024 ppm2 1.985 CV 1 OR { 516} (( segid "RN15" and resid 183 and name HE2 )) (( segid "RN14" and resid 635 and name HB )) ASSI { 517} (( segid "RN15" and resid 149 and name HD2 )) (( segid "RN15" and resid 149 and name HG1 )) 2.400 0.700 0.700 peak 517 spectrum 1 weight 0.10000E+01 volume 0.64390E-02 ppm1 3.402 ppm2 1.973 CV 1 OR { 517} (( segid "RN15" and resid 226 and name HD2 )) (( segid "RN15" and resid 226 and name HG2 )) OR { 517} (( segid "RN15" and resid 146 and name HD2 )) (( segid "RN15" and resid 146 and name HB2 )) ASSI { 518} (( segid "RN15" and resid 231 and name HD1 )) (( segid "RN15" and resid 230 and name HB1 )) 2.500 0.800 0.800 peak 518 spectrum 1 weight 0.10000E+01 volume 0.35281E-02 ppm1 3.660 ppm2 1.899 CV 1 OR { 518} (( segid "RN15" and resid 226 and name HD1 )) (( segid "RN15" and resid 226 and name HG1 )) ASSI { 521} (( segid "RN15" and resid 228 and name HA )) ( segid "RN15" and resid 228 and name HB% ) 2.000 0.500 0.500 peak 521 spectrum 1 weight 0.10000E+01 volume 0.15604E-01 ppm1 4.349 ppm2 1.483 CV 1 OR { 521} (( segid "RN15" and resid 228 and name HA )) (( segid "RN14" and resid 653 and name HB1 )) ASSI { 522} (( segid "RN15" and resid 148 and name HA )) ( segid "RN14" and resid 636 and name HD2%) 3.200 1.200 1.200 peak 522 spectrum 1 weight 0.10000E+01 volume 0.30517E-02 ppm1 4.277 ppm2 0.734 CV 1 OR { 522} (( segid "RN15" and resid 148 and name HA )) ( segid "RN15" and resid 148 and name HD1%) ASSI { 528} (( segid "RN15" and resid 210 and name HA )) ( segid "RN15" and resid 210 and name HB% ) 1.900 0.500 0.500 peak 528 spectrum 1 weight 0.10000E+01 volume 0.11804E-01 ppm1 3.855 ppm2 1.358 CV 1 OR { 528} (( segid "RN15" and resid 210 and name HA )) (( segid "RN15" and resid 224 and name HB2 )) ASSI { 529} (( segid "RN14" and resid 626 and name HA )) (( segid "RN14" and resid 626 and name HG2 )) 2.900 1.000 1.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.39525E-02 ppm1 4.296 ppm2 1.375 CV 1 OR { 529} (( segid "RN14" and resid 626 and name HA )) (( segid "RN14" and resid 626 and name HG1 )) OR { 529} (( segid "RN14" and resid 663 and name HA )) (( segid "RN15" and resid 189 and name HG1 )) ASSI { 532} (( segid "RN14" and resid 652 and name HA )) ( segid "RN14" and resid 652 and name HD2%) 2.300 0.700 0.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.83022E-02 ppm1 4.327 ppm2 0.911 CV 1 OR { 532} (( segid "RN15" and resid 222 and name HA )) ( segid "RN15" and resid 225 and name HD1%) OR { 532} (( segid "RN15" and resid 222 and name HA )) ( segid "RN15" and resid 225 and name HG2%) ASSI { 534} (( segid "RN15" and resid 210 and name HA )) ( segid "RN15" and resid 213 and name HD1%) 2.300 0.600 0.600 peak 534 spectrum 1 weight 0.10000E+01 volume 0.57964E-02 ppm1 3.860 ppm2 0.941 CV 1 OR { 534} (( segid "RN15" and resid 210 and name HA )) ( segid "RN14" and resid 658 and name HD1%) ASSI { 535} (( segid "RN15" and resid 196 and name HA )) ( segid "RN14" and resid 659 and name HG2%) 2.300 0.600 0.600 peak 535 spectrum 1 weight 0.10000E+01 volume 0.67172E-02 ppm1 3.929 ppm2 1.004 CV 1 OR { 535} (( segid "RN14" and resid 655 and name HA )) ( segid "RN15" and resid 199 and name HD1%) OR { 535} (( segid "RN15" and resid 196 and name HA )) ( segid "RN15" and resid 199 and name HD1%) OR { 535} (( segid "RN14" and resid 655 and name HA )) ( segid "RN14" and resid 659 and name HG2%) ASSI { 536} (( segid "RN15" and resid 162 and name HA )) ( segid "RN15" and resid 165 and name HD1%) 3.000 1.200 1.200 peak 536 spectrum 1 weight 0.10000E+01 volume 0.30628E-02 ppm1 3.943 ppm2 0.892 CV 1 OR { 536} (( segid "RN15" and resid 196 and name HA )) ( segid "RN14" and resid 659 and name HG1%) OR { 536} (( segid "RN15" and resid 162 and name HA )) ( segid "RN15" and resid 165 and name HG2%) OR { 536} (( segid "RN15" and resid 162 and name HA )) ( segid "RN14" and resid 642 and name HG2%) ASSI { 537} (( segid "RN15" and resid 169 and name HA )) ( segid "RN15" and resid 169 and name HD2%) 2.100 0.500 0.500 peak 537 spectrum 1 weight 0.10000E+01 volume 0.81143E-02 ppm1 3.866 ppm2 0.621 CV 1 OR { 537} (( segid "RN15" and resid 181 and name HA )) ( segid "RN14" and resid 668 and name HD1%) OR { 537} (( segid "RN15" and resid 181 and name HA )) ( segid "RN14" and resid 635 and name HG2%) OR { 537} (( segid "RN15" and resid 181 and name HA )) ( segid "RN14" and resid 635 and name HG1%) ASSI { 542} (( segid "RN15" and resid 205 and name HA )) ( segid "RN15" and resid 205 and name HD1%) 2.200 0.600 0.600 peak 542 spectrum 1 weight 0.10000E+01 volume 0.34590E-02 ppm1 4.060 ppm2 0.672 CV 1 OR { 542} (( segid "RN15" and resid 205 and name HA )) ( segid "RN15" and resid 212 and name HD1%) ASSI { 544} (( segid "RN15" and resid 227 and name HA )) (( segid "RN15" and resid 227 and name HB1 )) 2.200 0.600 0.600 peak 544 spectrum 1 weight 0.10000E+01 volume 0.54021E-02 ppm1 4.140 ppm2 1.447 CV 1 OR { 544} (( segid "RN15" and resid 227 and name HA )) (( segid "RN15" and resid 227 and name HG )) OR { 544} (( segid "RN15" and resid 227 and name HA )) (( segid "RN14" and resid 657 and name HG1 )) ASSI { 545} (( segid "RN15" and resid 196 and name HA )) ( segid "RN15" and resid 196 and name HB% ) 2.000 0.500 0.500 peak 545 spectrum 1 weight 0.10000E+01 volume 0.11410E-01 ppm1 3.940 ppm2 1.508 CV 1 OR { 545} (( segid "RN14" and resid 655 and name HA )) ( segid "RN15" and resid 196 and name HB% ) ASSI { 547} (( segid "RN14" and resid 655 and name HA )) ( segid "RN14" and resid 655 and name HB% ) 2.000 0.500 0.500 peak 547 spectrum 1 weight 0.10000E+01 volume 0.13645E-01 ppm1 3.914 ppm2 1.577 CV 1 OR { 547} (( segid "RN15" and resid 196 and name HA )) ( segid "RN14" and resid 655 and name HB% ) OR { 547} (( segid "RN14" and resid 655 and name HA )) (( segid "RN15" and resid 199 and name HB2 )) ASSI { 548} (( segid "RN15" and resid 196 and name HA )) ( segid "RN14" and resid 655 and name HB% ) 2.100 0.600 0.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.78047E-02 ppm1 3.937 ppm2 1.577 CV 1 OR { 548} (( segid "RN15" and resid 196 and name HA )) (( segid "RN15" and resid 199 and name HB2 )) OR { 548} (( segid "RN15" and resid 162 and name HA )) (( segid "RN15" and resid 161 and name HB1 )) ASSI { 550} (( segid "RN15" and resid 214 and name HA )) (( segid "RN15" and resid 214 and name HB2 )) 2.800 1.000 1.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.48698E-02 ppm1 4.330 ppm2 1.542 CV 1 OR { 550} (( segid "RN15" and resid 214 and name HA )) (( segid "RN15" and resid 213 and name HB2 )) ASSI { 551} (( segid "RN14" and resid 638 and name HA )) (( segid "RN14" and resid 638 and name HB2 )) 2.100 0.600 0.600 peak 551 spectrum 1 weight 0.10000E+01 volume 0.81389E-02 ppm1 4.133 ppm2 1.509 CV 1 OR { 551} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 144 and name HD2 )) OR { 551} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 144 and name HD1 )) OR { 551} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 198 and name HB2 )) ASSI { 552} (( segid "RN15" and resid 171 and name HA )) (( segid "RN15" and resid 171 and name HG2 )) 3.200 1.300 1.300 peak 552 spectrum 1 weight 0.10000E+01 volume 0.40104E-02 ppm1 4.174 ppm2 1.426 CV 1 OR { 552} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 144 and name HB1 )) OR { 552} (( segid "RN15" and resid 143 and name HA )) (( segid "RN15" and resid 144 and name HB1 )) OR { 552} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 148 and name HB2 )) ASSI { 553} (( segid "RN15" and resid 144 and name HA )) (( segid "RN15" and resid 144 and name HB1 )) 2.600 0.800 0.800 peak 553 spectrum 1 weight 0.10000E+01 volume 0.55765E-02 ppm1 3.956 ppm2 1.425 CV 1 OR { 553} (( segid "RN15" and resid 199 and name HA )) (( segid "RN15" and resid 205 and name HG )) ASSI { 556} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 169 and name HB2 )) 2.800 1.000 1.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.42839E-02 ppm1 3.856 ppm2 1.331 CV 1 OR { 556} (( segid "RN14" and resid 639 and name HA )) (( segid "RN14" and resid 642 and name HG12)) OR { 556} (( segid "RN15" and resid 181 and name HA )) (( segid "RN14" and resid 668 and name HG11)) OR { 556} (( segid "RN14" and resid 639 and name HA )) (( segid "RN14" and resid 638 and name HG )) OR { 556} (( segid "RN15" and resid 169 and name HA )) (( segid "RN14" and resid 638 and name HG )) ASSI { 557} (( segid "RN14" and resid 639 and name HA )) (( segid "RN14" and resid 639 and name HB2 )) 2.700 0.900 0.900 peak 557 spectrum 1 weight 0.10000E+01 volume 0.38206E-02 ppm1 3.842 ppm2 1.408 CV 1 OR { 557} (( segid "RN15" and resid 181 and name HA )) (( segid "RN15" and resid 181 and name HB2 )) OR { 557} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 172 and name HG2 )) OR { 557} (( segid "RN15" and resid 169 and name HA )) ( segid "RN15" and resid 215 and name HG2%) ASSI { 558} (( segid "RN15" and resid 199 and name HA )) (( segid "RN15" and resid 205 and name HB1 )) 3.100 1.200 1.200 peak 558 spectrum 1 weight 0.10000E+01 volume 0.42318E-02 ppm1 3.969 ppm2 1.505 CV 1 OR { 558} (( segid "RN15" and resid 144 and name HA )) (( segid "RN15" and resid 144 and name HD2 )) OR { 558} (( segid "RN15" and resid 144 and name HA )) (( segid "RN15" and resid 144 and name HD1 )) ASSI { 561} (( segid "RN15" and resid 213 and name HA )) ( segid "RN15" and resid 181 and name HD1%) 2.800 1.000 1.000 peak 561 spectrum 1 weight 0.10000E+01 volume 0.82354E-02 ppm1 4.049 ppm2 0.925 CV 1 OR { 561} (( segid "RN15" and resid 212 and name HA )) ( segid "RN15" and resid 181 and name HD1%) OR { 561} (( segid "RN15" and resid 178 and name HA )) ( segid "RN15" and resid 181 and name HD1%) OR { 561} (( segid "RN15" and resid 213 and name HA )) ( segid "RN15" and resid 213 and name HD1%) OR { 561} (( segid "RN15" and resid 213 and name HA )) ( segid "RN15" and resid 218 and name HD1%) ASSI { 565} (( segid "RN15" and resid 201 and name HA )) ( segid "RN15" and resid 201 and name HD2%) 3.900 1.900 1.900 peak 565 spectrum 1 weight 0.10000E+01 volume 0.44890E-02 ppm1 4.270 ppm2 0.978 CV 1 OR { 565} (( segid "RN15" and resid 201 and name HA )) ( segid "RN15" and resid 141 and name HD1%) ASSI { 568} (( segid "RN15" and resid 167 and name HA )) ( segid "RN15" and resid 170 and name HB% ) 2.700 0.900 0.900 peak 568 spectrum 1 weight 0.10000E+01 volume 0.60923E-02 ppm1 4.208 ppm2 1.487 CV 1 OR { 568} (( segid "RN14" and resid 661 and name HA )) (( segid "RN14" and resid 662 and name HB2 )) ASSI { 569} (( segid "RN15" and resid 207 and name HA )) ( segid "RN15" and resid 210 and name HB% ) 2.200 0.600 0.600 peak 569 spectrum 1 weight 0.10000E+01 volume 0.37058E-02 ppm1 4.114 ppm2 1.357 CV 1 OR { 569} (( segid "RN15" and resid 207 and name HA )) (( segid "RN15" and resid 224 and name HB2 )) ASSI { 576} (( segid "RN15" and resid 165 and name HA )) ( segid "RN14" and resid 642 and name HG2%) 2.300 0.700 0.700 peak 576 spectrum 1 weight 0.10000E+01 volume 0.62442E-02 ppm1 3.629 ppm2 0.886 CV 1 OR { 576} (( segid "RN15" and resid 165 and name HA )) ( segid "RN15" and resid 165 and name HG2%) OR { 576} (( segid "RN15" and resid 165 and name HA )) ( segid "RN15" and resid 165 and name HD1%) ASSI { 578} (( segid "RN15" and resid 208 and name HA )) ( segid "RN15" and resid 208 and name HG1%) 2.700 0.900 0.900 peak 578 spectrum 1 weight 0.10000E+01 volume 0.40813E-02 ppm1 3.498 ppm2 0.701 CV 1 OR { 578} (( segid "RN15" and resid 208 and name HA )) ( segid "RN15" and resid 212 and name HD1%) ASSI { 580} (( segid "RN15" and resid 221 and name HA )) ( segid "RN15" and resid 221 and name HG1%) 2.600 0.800 0.800 peak 580 spectrum 1 weight 0.10000E+01 volume 0.42338E-02 ppm1 3.638 ppm2 1.005 CV 1 OR { 580} (( segid "RN15" and resid 165 and name HA )) ( segid "RN15" and resid 208 and name HG2%) ASSI { 581} (( segid "RN15" and resid 221 and name HA )) ( segid "RN15" and resid 224 and name HD1%) 2.200 0.600 0.600 peak 581 spectrum 1 weight 0.10000E+01 volume 0.48899E-02 ppm1 3.639 ppm2 0.799 CV 1 OR { 581} (( segid "RN15" and resid 221 and name HA )) ( segid "RN15" and resid 214 and name HD1%) ASSI { 582} (( segid "RN15" and resid 221 and name HA )) ( segid "RN15" and resid 214 and name HD2%) 2.600 0.800 0.800 peak 582 spectrum 1 weight 0.10000E+01 volume 0.34490E-02 ppm1 3.640 ppm2 0.716 CV 1 OR { 582} (( segid "RN15" and resid 221 and name HA )) ( segid "RN14" and resid 653 and name HD2%) ASSI { 583} (( segid "RN15" and resid 221 and name HA )) ( segid "RN15" and resid 214 and name HD2%) 2.600 0.800 0.800 peak 583 spectrum 1 weight 0.10000E+01 volume 0.36330E-02 ppm1 3.639 ppm2 0.694 CV 1 OR { 583} (( segid "RN15" and resid 221 and name HA )) ( segid "RN14" and resid 653 and name HD1%) ASSI { 590} (( segid "RN15" and resid 227 and name HA )) (( segid "RN15" and resid 227 and name HB2 )) 2.700 0.900 0.900 peak 590 spectrum 1 weight 0.10000E+01 volume 0.49507E-02 ppm1 4.138 ppm2 1.835 CV 1 OR { 590} (( segid "RN15" and resid 227 and name HA )) (( segid "RN14" and resid 657 and name HD2 )) OR { 590} (( segid "RN15" and resid 227 and name HA )) (( segid "RN14" and resid 657 and name HD1 )) ASSI { 595} (( segid "RN14" and resid 630 and name HA )) (( segid "RN14" and resid 630 and name HB1 )) 2.300 0.600 0.600 peak 595 spectrum 1 weight 0.10000E+01 volume 0.15962E-01 ppm1 4.280 ppm2 2.067 CV 1 OR { 595} (( segid "RN15" and resid 147 and name HA )) (( segid "RN15" and resid 147 and name HB2 )) ASSI { 599} (( segid "RN14" and resid 627 and name HA )) (( segid "RN14" and resid 627 and name HB2 )) 2.300 0.700 0.700 peak 599 spectrum 1 weight 0.10000E+01 volume 0.11477E-01 ppm1 4.320 ppm2 1.790 CV 1 OR { 599} (( segid "RN14" and resid 626 and name HA )) (( segid "RN14" and resid 626 and name HB2 )) OR { 599} (( segid "RN14" and resid 626 and name HA )) (( segid "RN14" and resid 626 and name HB1 )) ASSI { 600} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 141 and name HB2 )) 2.600 0.900 0.900 peak 600 spectrum 1 weight 0.10000E+01 volume 0.61763E-02 ppm1 4.157 ppm2 1.622 CV 1 OR { 600} (( segid "RN15" and resid 171 and name HA )) (( segid "RN15" and resid 172 and name HG1 )) OR { 600} (( segid "RN14" and resid 638 and name HA )) (( segid "RN15" and resid 172 and name HD1 )) ASSI { 601} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 141 and name HB1 )) 2.300 0.700 0.700 peak 601 spectrum 1 weight 0.10000E+01 volume 0.53456E-02 ppm1 4.162 ppm2 1.820 CV 1 OR { 601} (( segid "RN15" and resid 141 and name HA )) (( segid "RN15" and resid 148 and name HG )) ASSI { 605} (( segid "RN15" and resid 200 and name HA )) (( segid "RN15" and resid 200 and name HB2 )) 2.300 0.600 0.600 peak 605 spectrum 1 weight 0.10000E+01 volume 0.88300E-02 ppm1 4.135 ppm2 2.261 CV 1 OR { 605} (( segid "RN15" and resid 179 and name HA )) (( segid "RN15" and resid 182 and name HB2 )) ASSI { 606} (( segid "RN15" and resid 183 and name HA )) (( segid "RN15" and resid 186 and name HB2 )) 2.900 1.100 1.100 peak 606 spectrum 1 weight 0.10000E+01 volume 0.42178E-02 ppm1 4.175 ppm2 2.287 CV 1 OR { 606} (( segid "RN15" and resid 183 and name HA )) (( segid "RN15" and resid 182 and name HB2 )) ASSI { 607} (( segid "RN15" and resid 213 and name HA )) (( segid "RN15" and resid 213 and name HG )) 2.800 1.000 1.000 peak 607 spectrum 1 weight 0.10000E+01 volume 0.48243E-02 ppm1 4.061 ppm2 2.234 CV 1 OR { 607} (( segid "RN15" and resid 178 and name HA )) (( segid "RN15" and resid 182 and name HB1 )) OR { 607} (( segid "RN15" and resid 213 and name HA )) (( segid "RN15" and resid 212 and name HB1 )) OR { 607} (( segid "RN15" and resid 178 and name HA )) (( segid "RN15" and resid 181 and name HB1 )) OR { 607} (( segid "RN15" and resid 213 and name HA )) (( segid "RN15" and resid 181 and name HB1 )) ASSI { 609} (( segid "RN15" and resid 205 and name HA )) (( segid "RN15" and resid 205 and name HB1 )) 2.700 0.900 0.900 peak 609 spectrum 1 weight 0.10000E+01 volume 0.32701E-02 ppm1 4.064 ppm2 1.505 CV 1 OR { 609} (( segid "RN15" and resid 205 and name HA )) (( segid "RN14" and resid 638 and name HB1 )) OR { 609} (( segid "RN15" and resid 205 and name HA )) (( segid "RN14" and resid 638 and name HB2 )) ASSI { 612} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 169 and name HB1 )) 2.500 0.800 0.800 peak 612 spectrum 1 weight 0.10000E+01 volume 0.41553E-02 ppm1 3.858 ppm2 1.947 CV 1 OR { 612} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 169 and name HG )) OR { 612} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 212 and name HG )) ASSI { 613} (( segid "RN15" and resid 168 and name HA )) (( segid "RN15" and resid 169 and name HG )) 3.400 3.400 2.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.60238E-02 ppm1 4.081 ppm2 1.957 CV 1 OR { 613} (( segid "RN15" and resid 168 and name HA )) (( segid "RN15" and resid 169 and name HB1 )) OR { 613} (( segid "RN15" and resid 168 and name HA )) (( segid "RN15" and resid 165 and name HG11)) ASSI { 614} (( segid "RN15" and resid 178 and name HA )) (( segid "RN15" and resid 178 and name HB1 )) 2.400 0.700 0.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.50234E-02 ppm1 4.055 ppm2 1.858 CV 1 OR { 614} (( segid "RN15" and resid 213 and name HA )) (( segid "RN15" and resid 213 and name HB1 )) OR { 614} (( segid "RN15" and resid 178 and name HA )) (( segid "RN15" and resid 178 and name HG )) ASSI { 617} (( segid "RN14" and resid 647 and name HA )) (( segid "RN14" and resid 643 and name HB1 )) 4.100 2.100 1.900 peak 617 spectrum 1 weight 0.10000E+01 volume 0.52449E-02 ppm1 4.192 ppm2 2.126 CV 1 OR { 617} (( segid "RN15" and resid 193 and name HA )) (( segid "RN14" and resid 656 and name HB2 )) ASSI { 619} (( segid "RN15" and resid 179 and name HA )) (( segid "RN15" and resid 182 and name HB1 )) 3.200 1.300 1.300 peak 619 spectrum 1 weight 0.10000E+01 volume 0.50043E-02 ppm1 4.168 ppm2 2.226 CV 1 OR { 619} (( segid "RN15" and resid 179 and name HA )) (( segid "RN15" and resid 181 and name HB1 )) ASSI { 621} (( segid "RN15" and resid 177 and name HA )) (( segid "RN15" and resid 177 and name HB2 )) 2.300 0.700 0.700 peak 621 spectrum 1 weight 0.10000E+01 volume 0.94555E-02 ppm1 3.805 ppm2 2.004 CV 1 OR { 621} (( segid "RN15" and resid 174 and name HA )) (( segid "RN15" and resid 174 and name HB1 )) OR { 621} (( segid "RN15" and resid 174 and name HA )) (( segid "RN15" and resid 177 and name HB2 )) ASSI { 622} (( segid "RN15" and resid 174 and name HA )) (( segid "RN15" and resid 174 and name HB2 )) 2.400 0.700 0.700 peak 622 spectrum 1 weight 0.10000E+01 volume 0.61426E-02 ppm1 3.806 ppm2 1.818 CV 1 OR { 622} (( segid "RN15" and resid 174 and name HA )) (( segid "RN15" and resid 177 and name HB1 )) ASSI { 623} (( segid "RN15" and resid 174 and name HA )) (( segid "RN15" and resid 174 and name HD1 )) 3.500 1.500 1.500 peak 623 spectrum 1 weight 0.10000E+01 volume 0.37376E-02 ppm1 3.807 ppm2 1.777 CV 1 OR { 623} (( segid "RN15" and resid 174 and name HA )) (( segid "RN15" and resid 174 and name HD2 )) OR { 623} (( segid "RN15" and resid 174 and name HA )) (( segid "RN15" and resid 177 and name HB1 )) ASSI { 627} (( segid "RN15" and resid 211 and name HA )) (( segid "RN15" and resid 211 and name HG2 )) 2.800 1.000 1.000 peak 627 spectrum 1 weight 0.10000E+01 volume 0.42529E-02 ppm1 4.044 ppm2 2.108 CV 1 OR { 627} (( segid "RN15" and resid 211 and name HA )) (( segid "RN15" and resid 211 and name HG1 )) OR { 627} (( segid "RN15" and resid 211 and name HA )) (( segid "RN15" and resid 221 and name HB )) ASSI { 629} (( segid "RN14" and resid 640 and name HA )) (( segid "RN14" and resid 642 and name HG11)) 3.400 1.400 1.400 peak 629 spectrum 1 weight 0.10000E+01 volume 0.32070E-02 ppm1 4.198 ppm2 1.755 CV 1 OR { 629} (( segid "RN14" and resid 640 and name HA )) (( segid "RN15" and resid 149 and name HB1 )) OR { 629} (( segid "RN14" and resid 640 and name HA )) (( segid "RN15" and resid 204 and name HB2 )) ASSI { 633} (( segid "RN15" and resid 174 and name HA )) (( segid "RN15" and resid 177 and name HG1 )) 3.100 1.200 1.200 peak 633 spectrum 1 weight 0.10000E+01 volume 0.38938E-02 ppm1 3.796 ppm2 2.527 CV 1 OR { 633} (( segid "RN15" and resid 177 and name HA )) (( segid "RN15" and resid 177 and name HG1 )) ASSI { 634} (( segid "RN15" and resid 171 and name HA )) (( segid "RN15" and resid 171 and name HB1 )) 2.400 0.700 0.700 peak 634 spectrum 1 weight 0.10000E+01 volume 0.10634E-01 ppm1 4.181 ppm2 2.059 CV 1 OR { 634} (( segid "RN15" and resid 143 and name HA )) (( segid "RN15" and resid 143 and name HB2 )) OR { 634} (( segid "RN15" and resid 143 and name HA )) (( segid "RN15" and resid 143 and name HB1 )) ASSI { 636} (( segid "RN14" and resid 630 and name HA )) (( segid "RN14" and resid 630 and name HG2 )) 2.700 0.900 0.900 peak 636 spectrum 1 weight 0.10000E+01 volume 0.96434E-02 ppm1 4.290 ppm2 2.304 CV 1 OR { 636} (( segid "RN14" and resid 630 and name HA )) (( segid "RN14" and resid 630 and name HG1 )) OR { 636} (( segid "RN15" and resid 147 and name HA )) (( segid "RN15" and resid 147 and name HG2 )) OR { 636} (( segid "RN15" and resid 147 and name HA )) (( segid "RN15" and resid 147 and name HG1 )) ASSI { 639} (( segid "RN14" and resid 646 and name HA )) (( segid "RN14" and resid 646 and name HB1 )) 2.300 0.700 0.700 peak 639 spectrum 1 weight 0.10000E+01 volume 0.11659E-01 ppm1 4.191 ppm2 1.904 CV 1 OR { 639} (( segid "RN15" and resid 183 and name HA )) (( segid "RN15" and resid 183 and name HB1 )) OR { 639} (( segid "RN14" and resid 646 and name HA )) (( segid "RN14" and resid 646 and name HB2 )) ASSI { 640} (( segid "RN14" and resid 646 and name HA )) (( segid "RN14" and resid 646 and name HG1 )) 3.300 1.300 1.300 peak 640 spectrum 1 weight 0.10000E+01 volume 0.70679E-02 ppm1 4.180 ppm2 1.753 CV 1 OR { 640} (( segid "RN15" and resid 183 and name HA )) (( segid "RN15" and resid 183 and name HD1 )) OR { 640} (( segid "RN15" and resid 183 and name HA )) (( segid "RN15" and resid 183 and name HD2 )) ASSI { 641} (( segid "RN15" and resid 183 and name HA )) (( segid "RN15" and resid 183 and name HB2 )) 2.300 0.700 0.700 peak 641 spectrum 1 weight 0.10000E+01 volume 0.94543E-02 ppm1 4.173 ppm2 1.693 CV 1 OR { 641} (( segid "RN14" and resid 646 and name HA )) (( segid "RN14" and resid 645 and name HG2 )) ASSI { 642} (( segid "RN15" and resid 183 and name HA )) (( segid "RN15" and resid 183 and name HG1 )) 3.000 1.100 1.100 peak 642 spectrum 1 weight 0.10000E+01 volume 0.43836E-02 ppm1 4.174 ppm2 1.640 CV 1 OR { 642} (( segid "RN14" and resid 646 and name HA )) (( segid "RN14" and resid 646 and name HG2 )) ASSI { 644} (( segid "RN15" and resid 164 and name HA )) (( segid "RN15" and resid 164 and name HB1 )) 2.300 0.700 0.700 peak 644 spectrum 1 weight 0.10000E+01 volume 0.79235E-02 ppm1 4.312 ppm2 2.125 CV 1 OR { 644} (( segid "RN15" and resid 164 and name HA )) (( segid "RN15" and resid 163 and name HB2 )) ASSI { 645} (( segid "RN15" and resid 163 and name HA )) (( segid "RN15" and resid 164 and name HB1 )) 3.400 3.400 2.600 peak 645 spectrum 1 weight 0.10000E+01 volume 0.73335E-02 ppm1 4.289 ppm2 2.102 CV 1 OR { 645} (( segid "RN15" and resid 163 and name HA )) (( segid "RN15" and resid 211 and name HG1 )) OR { 645} (( segid "RN15" and resid 163 and name HA )) (( segid "RN15" and resid 211 and name HG2 )) OR { 645} (( segid "RN15" and resid 163 and name HA )) (( segid "RN14" and resid 643 and name HB2 )) ASSI { 646} (( segid "RN15" and resid 200 and name HA )) ( segid "RN14" and resid 655 and name HB% ) 2.700 0.900 0.900 peak 646 spectrum 1 weight 0.10000E+01 volume 0.34021E-02 ppm1 4.138 ppm2 1.577 CV 1 OR { 646} (( segid "RN15" and resid 179 and name HA )) (( segid "RN15" and resid 179 and name HG2 )) OR { 646} (( segid "RN15" and resid 200 and name HA )) (( segid "RN15" and resid 199 and name HB2 )) ASSI { 648} (( segid "RN14" and resid 656 and name HA )) (( segid "RN14" and resid 656 and name HB1 )) 2.300 0.700 0.700 peak 648 spectrum 1 weight 0.10000E+01 volume 0.76916E-02 ppm1 3.871 ppm2 2.197 CV 1 OR { 648} (( segid "RN15" and resid 182 and name HA )) (( segid "RN15" and resid 185 and name HB1 )) OR { 648} (( segid "RN15" and resid 182 and name HA )) (( segid "RN15" and resid 182 and name HB1 )) ASSI { 649} (( segid "RN14" and resid 656 and name HA )) (( segid "RN14" and resid 659 and name HB )) 2.100 0.600 0.600 peak 649 spectrum 1 weight 0.10000E+01 volume 0.10431E-01 ppm1 3.896 ppm2 2.163 CV 1 OR { 649} (( segid "RN14" and resid 656 and name HA )) (( segid "RN14" and resid 656 and name HB1 )) OR { 649} (( segid "RN14" and resid 656 and name HA )) (( segid "RN14" and resid 656 and name HB2 )) ASSI { 651} (( segid "RN15" and resid 173 and name HA )) (( segid "RN15" and resid 173 and name HB1 )) 2.400 0.700 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.55603E-02 ppm1 4.545 ppm2 2.005 CV 1 OR { 651} (( segid "RN15" and resid 173 and name HA )) (( segid "RN15" and resid 174 and name HB1 )) ASSI { 652} (( segid "RN14" and resid 632 and name HA )) (( segid "RN14" and resid 632 and name HB1 )) 2.100 0.600 0.600 peak 652 spectrum 1 weight 0.10000E+01 volume 0.13351E-01 ppm1 4.532 ppm2 2.617 CV 1 OR { 652} (( segid "RN15" and resid 173 and name HA )) (( segid "RN15" and resid 173 and name HB2 )) ASSI { 653} (( segid "RN14" and resid 632 and name HA )) (( segid "RN14" and resid 632 and name HB2 )) 2.900 1.000 1.000 peak 653 spectrum 1 weight 0.10000E+01 volume 0.53582E-02 ppm1 4.524 ppm2 1.830 CV 1 OR { 653} (( segid "RN14" and resid 632 and name HA )) (( segid "RN14" and resid 632 and name HG2 )) OR { 653} (( segid "RN15" and resid 173 and name HA )) (( segid "RN15" and resid 174 and name HB2 )) ASSI { 655} (( segid "RN15" and resid 176 and name HA )) (( segid "RN15" and resid 179 and name HB1 )) 3.300 1.400 1.400 peak 655 spectrum 1 weight 0.10000E+01 volume 0.37301E-02 ppm1 3.781 ppm2 2.042 CV 1 OR { 655} (( segid "RN15" and resid 176 and name HA )) (( segid "RN15" and resid 175 and name HB1 )) OR { 655} (( segid "RN15" and resid 176 and name HA )) (( segid "RN15" and resid 172 and name HB1 )) ASSI { 656} (( segid "RN15" and resid 221 and name HA )) (( segid "RN15" and resid 221 and name HB )) 2.600 0.800 0.800 peak 656 spectrum 1 weight 0.10000E+01 volume 0.69736E-02 ppm1 3.639 ppm2 2.099 CV 1 OR { 656} (( segid "RN15" and resid 165 and name HA )) (( segid "RN15" and resid 164 and name HB1 )) OR { 656} (( segid "RN15" and resid 165 and name HA )) (( segid "RN15" and resid 211 and name HG1 )) OR { 656} (( segid "RN15" and resid 221 and name HA )) (( segid "RN15" and resid 220 and name HB2 )) OR { 656} (( segid "RN15" and resid 165 and name HA )) (( segid "RN15" and resid 211 and name HG2 )) OR { 656} (( segid "RN15" and resid 165 and name HA )) (( segid "RN14" and resid 643 and name HB2 )) ASSI { 657} (( segid "RN15" and resid 165 and name HA )) (( segid "RN15" and resid 165 and name HG11)) 2.900 1.100 1.100 peak 657 spectrum 1 weight 0.10000E+01 volume 0.34214E-02 ppm1 3.634 ppm2 1.957 CV 1 OR { 657} (( segid "RN15" and resid 165 and name HA )) (( segid "RN15" and resid 169 and name HG )) OR { 657} (( segid "RN15" and resid 165 and name HA )) (( segid "RN14" and resid 642 and name HB )) ASSI { 661} (( segid "RN14" and resid 660 and name HA )) (( segid "RN14" and resid 660 and name HB2 )) 2.700 0.900 0.900 peak 661 spectrum 1 weight 0.10000E+01 volume 0.79332E-02 ppm1 4.378 ppm2 2.929 CV 1 OR { 661} (( segid "RN14" and resid 660 and name HA )) (( segid "RN14" and resid 663 and name HB2 )) ASSI { 667} (( segid "RN15" and resid 150 and name HA )) (( segid "RN15" and resid 149 and name HD1 )) 2.600 2.600 3.400 peak 667 spectrum 1 weight 0.10000E+01 volume 0.89060E-02 ppm1 4.267 ppm2 3.896 CV 1 OR { 667} (( segid "RN15" and resid 142 and name HA )) (( segid "RN15" and resid 135 and name HB2 )) OR { 667} (( segid "RN15" and resid 142 and name HA )) (( segid "RN15" and resid 149 and name HD1 )) ASSI { 668} (( segid "RN14" and resid 640 and name HA )) (( segid "RN15" and resid 151 and name HA2 )) 2.000 0.500 0.500 peak 668 spectrum 1 weight 0.10000E+01 volume 0.14464E-01 ppm1 4.208 ppm2 3.976 CV 1 OR { 668} (( segid "RN15" and resid 167 and name HA )) (( segid "RN15" and resid 167 and name HB2 )) OR { 668} (( segid "RN15" and resid 167 and name HA )) (( segid "RN15" and resid 167 and name HB1 )) OR { 668} (( segid "RN14" and resid 640 and name HA )) (( segid "RN14" and resid 640 and name HB2 )) ASSI { 671} (( segid "RN15" and resid 163 and name HA )) (( segid "RN15" and resid 166 and name HB2 )) 2.900 1.100 1.100 peak 671 spectrum 1 weight 0.10000E+01 volume 0.39579E-02 ppm1 4.262 ppm2 3.938 CV 1 OR { 671} (( segid "RN15" and resid 163 and name HA )) (( segid "RN15" and resid 166 and name HB1 )) OR { 671} (( segid "RN15" and resid 163 and name HA )) (( segid "RN15" and resid 162 and name HA )) ASSI { 672} (( segid "RN15" and resid 150 and name HB1 )) (( segid "RN15" and resid 150 and name HA )) 2.200 0.600 0.600 peak 672 spectrum 1 weight 0.10000E+01 volume 0.22314E-01 ppm1 3.960 ppm2 4.256 CV 1 OR { 672} (( segid "RN15" and resid 142 and name HB2 )) (( segid "RN15" and resid 142 and name HA )) OR { 672} (( segid "RN15" and resid 142 and name HB1 )) (( segid "RN15" and resid 142 and name HA )) OR { 672} (( segid "RN15" and resid 150 and name HB2 )) (( segid "RN15" and resid 150 and name HA )) ASSI { 675} (( segid "RN14" and resid 676 and name HB1 )) (( segid "RN14" and resid 676 and name HA )) 2.200 0.600 0.600 peak 675 spectrum 1 weight 0.10000E+01 volume 0.15073E-01 ppm1 3.914 ppm2 4.498 CV 1 OR { 675} (( segid "RN14" and resid 673 and name HB1 )) (( segid "RN14" and resid 673 and name HA )) OR { 675} (( segid "RN14" and resid 673 and name HB2 )) (( segid "RN14" and resid 673 and name HA )) OR { 675} (( segid "RN14" and resid 676 and name HB2 )) (( segid "RN14" and resid 676 and name HA )) ASSI { 679} (( segid "RN15" and resid 151 and name HA1 )) (( segid "RN14" and resid 644 and name HA )) 2.900 1.000 1.000 peak 679 spectrum 1 weight 0.10000E+01 volume 0.59644E-02 ppm1 4.035 ppm2 4.500 CV 1 OR { 679} (( segid "RN15" and resid 151 and name HA1 )) (( segid "RN15" and resid 152 and name HA )) ASSI { 688} ( segid "RN15" and resid 141 and name HD1%) ( segid "RN15" and resid 140 and name HD% ) 3.100 1.200 1.200 peak 688 spectrum 1 weight 0.10000E+01 volume 0.52509E-02 ppm1 0.980 ppm2 7.234 CV 1 OR { 688} ( segid "RN15" and resid 201 and name HD2%) ( segid "RN15" and resid 140 and name HD% ) OR { 688} ( segid "RN15" and resid 141 and name HD1%) ( segid "RN15" and resid 145 and name HD% ) ASSI { 689} (( segid "RN15" and resid 200 and name HB1 )) (( segid "RN15" and resid 197 and name HB1 )) 3.000 3.000 3.000 peak 689 spectrum 1 weight 0.10000E+01 volume 0.45450E-02 ppm1 2.118 ppm2 4.093 CV 1 OR { 689} (( segid "RN15" and resid 200 and name HB1 )) (( segid "RN15" and resid 206 and name HB2 )) ASSI { 695} ( segid "RN14" and resid 641 and name HG2%) (( segid "RN14" and resid 642 and name HA )) 4.100 2.100 1.900 peak 695 spectrum 1 weight 0.10000E+01 volume 0.16154E-02 ppm1 0.887 ppm2 5.001 CV 1 OR { 695} ( segid "RN15" and resid 165 and name HG2%) (( segid "RN14" and resid 642 and name HA )) ASSI { 697} ( segid "RN15" and resid 165 and name HG2%) (( segid "RN15" and resid 162 and name HA )) 4.200 2.200 1.800 peak 697 spectrum 1 weight 0.10000E+01 volume 0.21059E-02 ppm1 0.890 ppm2 3.947 CV 1 OR { 697} ( segid "RN15" and resid 165 and name HG2%) (( segid "RN14" and resid 643 and name HD1 )) OR { 697} ( segid "RN15" and resid 165 and name HG2%) (( segid "RN15" and resid 166 and name HB1 )) OR { 697} ( segid "RN15" and resid 165 and name HG2%) (( segid "RN15" and resid 166 and name HB2 )) OR { 697} ( segid "RN14" and resid 641 and name HG2%) (( segid "RN14" and resid 643 and name HD1 )) ASSI { 698} ( segid "RN15" and resid 221 and name HG1%) (( segid "RN15" and resid 224 and name HA )) 4.200 2.200 1.800 peak 698 spectrum 1 weight 0.10000E+01 volume 0.23701E-02 ppm1 0.986 ppm2 4.004 CV 1 OR { 698} ( segid "RN15" and resid 221 and name HG1%) (( segid "RN15" and resid 211 and name HA )) ASSI { 699} ( segid "RN15" and resid 221 and name HG1%) (( segid "RN15" and resid 222 and name HA )) 3.400 1.400 1.400 peak 699 spectrum 1 weight 0.10000E+01 volume 0.23394E-02 ppm1 0.987 ppm2 4.318 CV 1 OR { 699} ( segid "RN14" and resid 671 and name HG1%) (( segid "RN14" and resid 672 and name HA )) OR { 699} ( segid "RN14" and resid 671 and name HG2%) (( segid "RN14" and resid 672 and name HA )) ASSI { 700} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN15" and resid 213 and name HA )) 3.800 1.800 1.800 peak 700 spectrum 1 weight 0.10000E+01 volume 0.31692E-02 ppm1 1.109 ppm2 4.046 CV 1 OR { 700} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN15" and resid 212 and name HA )) OR { 700} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN14" and resid 669 and name HD2 )) OR { 700} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN15" and resid 178 and name HA )) OR { 700} ( segid "RN15" and resid 181 and name HD2%) (( segid "RN15" and resid 205 and name HA )) ASSI { 704} ( segid "RN14" and resid 659 and name HG2%) (( segid "RN15" and resid 188 and name HB )) 3.200 1.200 1.200 peak 704 spectrum 1 weight 0.10000E+01 volume 0.23760E-02 ppm1 1.001 ppm2 3.820 CV 1 OR { 704} ( segid "RN15" and resid 141 and name HD1%) (( segid "RN15" and resid 198 and name HA )) OR { 704} ( segid "RN15" and resid 208 and name HG2%) (( segid "RN14" and resid 639 and name HA )) OR { 704} ( segid "RN15" and resid 201 and name HD2%) (( segid "RN15" and resid 198 and name HA )) ASSI { 707} (( segid "RN15" and resid 212 and name HG )) (( segid "RN15" and resid 212 and name HA )) 3.000 1.100 1.100 peak 707 spectrum 1 weight 0.10000E+01 volume 0.18994E-02 ppm1 1.930 ppm2 4.032 CV 1 OR { 707} (( segid "RN15" and resid 212 and name HG )) (( segid "RN15" and resid 211 and name HA )) OR { 707} (( segid "RN15" and resid 212 and name HG )) (( segid "RN15" and resid 213 and name HA )) ASSI { 713} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 212 and name HA )) 3.800 1.800 1.800 peak 713 spectrum 1 weight 0.10000E+01 volume 0.28566E-02 ppm1 0.689 ppm2 4.036 CV 1 OR { 713} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 205 and name HA )) OR { 713} ( segid "RN15" and resid 212 and name HD1%) (( segid "RN15" and resid 213 and name HA )) ASSI { 715} (( segid "RN15" and resid 192 and name HB1 )) (( segid "RN15" and resid 192 and name HD1 )) 4.000 2.000 2.000 peak 715 spectrum 1 weight 0.10000E+01 volume 0.22142E-02 ppm1 1.940 ppm2 3.405 CV 1 OR { 715} (( segid "RN15" and resid 192 and name HB2 )) (( segid "RN15" and resid 192 and name HD1 )) OR { 715} (( segid "RN15" and resid 146 and name HB2 )) (( segid "RN15" and resid 146 and name HD2 )) ASSI { 717} (( segid "RN15" and resid 149 and name HG1 )) (( segid "RN15" and resid 149 and name HD1 )) 2.600 0.800 0.800 peak 717 spectrum 1 weight 0.10000E+01 volume 0.27900E-02 ppm1 1.993 ppm2 3.929 CV 1 OR { 717} (( segid "RN15" and resid 199 and name HG )) (( segid "RN15" and resid 196 and name HA )) OR { 717} (( segid "RN15" and resid 149 and name HG1 )) (( segid "RN14" and resid 640 and name HB2 )) OR { 717} (( segid "RN15" and resid 199 and name HG )) (( segid "RN14" and resid 655 and name HA )) OR { 717} (( segid "RN15" and resid 149 and name HG1 )) (( segid "RN15" and resid 150 and name HB1 )) ASSI { 719} (( segid "RN14" and resid 669 and name HG1 )) (( segid "RN14" and resid 668 and name HA )) 3.700 1.700 1.700 peak 719 spectrum 1 weight 0.10000E+01 volume 0.28704E-02 ppm1 2.057 ppm2 4.365 CV 1 OR { 719} (( segid "RN14" and resid 669 and name HG2 )) (( segid "RN14" and resid 668 and name HA )) OR { 719} (( segid "RN14" and resid 669 and name HG2 )) (( segid "RN14" and resid 670 and name HA )) ASSI { 721} (( segid "RN15" and resid 199 and name HG )) (( segid "RN15" and resid 199 and name HA )) 3.100 1.200 1.200 peak 721 spectrum 1 weight 0.10000E+01 volume 0.25565E-02 ppm1 2.004 ppm2 3.975 CV 1 OR { 721} (( segid "RN15" and resid 149 and name HG1 )) (( segid "RN14" and resid 640 and name HB2 )) OR { 721} (( segid "RN15" and resid 149 and name HG1 )) (( segid "RN15" and resid 151 and name HA2 )) OR { 721} (( segid "RN15" and resid 149 and name HG1 )) (( segid "RN15" and resid 150 and name HB1 )) ASSI { 724} (( segid "RN15" and resid 225 and name HG11)) (( segid "RN15" and resid 222 and name HA )) 2.900 1.100 1.100 peak 724 spectrum 1 weight 0.10000E+01 volume 0.28774E-02 ppm1 1.708 ppm2 4.309 CV 1 OR { 724} (( segid "RN14" and resid 626 and name HD1 )) (( segid "RN14" and resid 626 and name HA )) OR { 724} (( segid "RN14" and resid 626 and name HD2 )) (( segid "RN14" and resid 626 and name HA )) ASSI { 726} (( segid "RN15" and resid 144 and name HD2 )) (( segid "RN15" and resid 141 and name HA )) 4.000 2.000 2.000 peak 726 spectrum 1 weight 0.10000E+01 volume 0.16721E-02 ppm1 1.502 ppm2 4.153 CV 1 OR { 726} (( segid "RN15" and resid 144 and name HD1 )) (( segid "RN15" and resid 141 and name HA )) OR { 726} (( segid "RN15" and resid 144 and name HD2 )) (( segid "RN15" and resid 143 and name HA )) OR { 726} (( segid "RN15" and resid 172 and name HD2 )) (( segid "RN15" and resid 173 and name HD1 )) OR { 726} (( segid "RN15" and resid 172 and name HD2 )) (( segid "RN14" and resid 638 and name HA )) OR { 726} (( segid "RN15" and resid 144 and name HD1 )) (( segid "RN15" and resid 143 and name HA )) ASSI { 730} (( segid "RN15" and resid 176 and name HB )) (( segid "RN15" and resid 176 and name HA )) 3.200 1.300 1.300 peak 730 spectrum 1 weight 0.10000E+01 volume 0.24885E-02 ppm1 2.228 ppm2 3.781 CV 1 OR { 730} (( segid "RN15" and resid 176 and name HB )) (( segid "RN15" and resid 177 and name HA )) OR { 730} (( segid "RN15" and resid 176 and name HB )) (( segid "RN15" and resid 174 and name HA )) ASSI { 732} (( segid "RN14" and resid 632 and name HB2 )) (( segid "RN14" and resid 632 and name HA )) 3.100 1.200 1.200 peak 732 spectrum 1 weight 0.10000E+01 volume 0.31237E-02 ppm1 1.835 ppm2 4.524 CV 1 OR { 732} (( segid "RN15" and resid 174 and name HB2 )) (( segid "RN15" and resid 173 and name HA )) ASSI { 735} (( segid "RN15" and resid 227 and name HG )) (( segid "RN15" and resid 224 and name HA )) 2.400 0.700 0.700 peak 735 spectrum 1 weight 0.10000E+01 volume 0.27149E-02 ppm1 1.456 ppm2 4.013 CV 1 OR { 735} (( segid "RN15" and resid 205 and name HG )) (( segid "RN15" and resid 206 and name HA )) OR { 735} (( segid "RN15" and resid 205 and name HG )) (( segid "RN15" and resid 199 and name HA )) ASSI { 738} (( segid "RN15" and resid 176 and name HB )) (( segid "RN15" and resid 173 and name HD1 )) 3.300 3.300 2.700 peak 738 spectrum 1 weight 0.10000E+01 volume 0.17498E-02 ppm1 2.237 ppm2 4.158 CV 1 OR { 738} (( segid "RN15" and resid 176 and name HB )) (( segid "RN15" and resid 170 and name HA )) OR { 738} (( segid "RN15" and resid 176 and name HB )) (( segid "RN15" and resid 179 and name HA )) OR { 738} (( segid "RN15" and resid 176 and name HB )) (( segid "RN14" and resid 638 and name HA )) OR { 738} (( segid "RN15" and resid 176 and name HB )) (( segid "RN15" and resid 215 and name HA )) OR { 738} (( segid "RN15" and resid 163 and name HB1 )) (( segid "RN14" and resid 647 and name HA )) ASSI { 739} (( segid "RN15" and resid 149 and name HB1 )) (( segid "RN15" and resid 149 and name HD1 )) 3.700 1.700 1.700 peak 739 spectrum 1 weight 0.10000E+01 volume 0.16080E-02 ppm1 1.755 ppm2 3.946 CV 1 OR { 739} (( segid "RN15" and resid 149 and name HB1 )) (( segid "RN14" and resid 640 and name HB2 )) OR { 739} (( segid "RN15" and resid 149 and name HB1 )) (( segid "RN15" and resid 151 and name HA2 )) OR { 739} (( segid "RN15" and resid 149 and name HB1 )) (( segid "RN15" and resid 150 and name HB2 )) ASSI { 740} (( segid "RN15" and resid 149 and name HB2 )) (( segid "RN14" and resid 640 and name HB1 )) 3.600 1.700 1.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.17598E-02 ppm1 2.348 ppm2 4.057 CV 1 OR { 740} (( segid "RN14" and resid 669 and name HB1 )) (( segid "RN14" and resid 669 and name HD2 )) OR { 740} (( segid "RN15" and resid 149 and name HB2 )) (( segid "RN15" and resid 151 and name HA1 )) ASSI { 741} (( segid "RN14" and resid 669 and name HB1 )) (( segid "RN14" and resid 673 and name HB1 )) 3.000 3.000 3.000 peak 741 spectrum 1 weight 0.10000E+01 volume 0.16046E-02 ppm1 2.358 ppm2 3.947 CV 1 OR { 741} (( segid "RN14" and resid 669 and name HB1 )) (( segid "RN14" and resid 673 and name HB2 )) OR { 741} (( segid "RN15" and resid 149 and name HB2 )) (( segid "RN14" and resid 640 and name HB2 )) OR { 741} (( segid "RN15" and resid 149 and name HB2 )) (( segid "RN15" and resid 151 and name HA2 )) OR { 741} (( segid "RN15" and resid 149 and name HB2 )) (( segid "RN15" and resid 149 and name HD1 )) ASSI { 742} (( segid "RN15" and resid 173 and name HB2 )) (( segid "RN15" and resid 173 and name HD1 )) 4.000 2.000 2.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.20334E-02 ppm1 2.596 ppm2 4.163 CV 1 OR { 742} (( segid "RN15" and resid 182 and name HG1 )) (( segid "RN15" and resid 179 and name HA )) ASSI { 749} (( segid "RN15" and resid 218 and name HB )) (( segid "RN15" and resid 213 and name HA )) 3.500 1.600 1.600 peak 749 spectrum 1 weight 0.10000E+01 volume 0.30715E-02 ppm1 1.963 ppm2 4.048 CV 1 OR { 749} (( segid "RN15" and resid 218 and name HB )) (( segid "RN14" and resid 666 and name HA )) OR { 749} (( segid "RN15" and resid 218 and name HB )) (( segid "RN14" and resid 669 and name HD2 )) OR { 749} (( segid "RN15" and resid 218 and name HB )) (( segid "RN15" and resid 217 and name HA1 )) OR { 749} (( segid "RN15" and resid 218 and name HB )) (( segid "RN15" and resid 217 and name HA2 )) ASSI { 753} (( segid "RN15" and resid 212 and name HB2 )) (( segid "RN15" and resid 212 and name HA )) 3.100 1.200 1.200 peak 753 spectrum 1 weight 0.10000E+01 volume 0.17357E-02 ppm1 1.217 ppm2 4.035 CV 1 OR { 753} (( segid "RN15" and resid 212 and name HB2 )) (( segid "RN15" and resid 213 and name HA )) OR { 753} (( segid "RN15" and resid 212 and name HB2 )) (( segid "RN15" and resid 211 and name HA )) OR { 753} (( segid "RN15" and resid 212 and name HB2 )) (( segid "RN14" and resid 669 and name HD2 )) ASSI { 756} (( segid "RN14" and resid 662 and name HB1 )) (( segid "RN14" and resid 659 and name HA )) 2.700 0.900 0.900 peak 756 spectrum 1 weight 0.10000E+01 volume 0.22561E-02 ppm1 1.770 ppm2 3.301 CV 1 OR { 756} (( segid "RN14" and resid 662 and name HB1 )) (( segid "RN14" and resid 661 and name HB2 )) ASSI { 757} (( segid "RN15" and resid 212 and name HB1 )) (( segid "RN15" and resid 212 and name HA )) 2.400 0.700 0.700 peak 757 spectrum 1 weight 0.10000E+01 volume 0.30778E-02 ppm1 2.245 ppm2 4.042 CV 1 OR { 757} (( segid "RN15" and resid 212 and name HB1 )) (( segid "RN15" and resid 213 and name HA )) OR { 757} (( segid "RN15" and resid 212 and name HB1 )) (( segid "RN15" and resid 178 and name HA )) OR { 757} (( segid "RN15" and resid 212 and name HB1 )) (( segid "RN14" and resid 669 and name HD2 )) ASSI { 758} (( segid "RN15" and resid 181 and name HB1 )) (( segid "RN15" and resid 181 and name HA )) 2.600 0.900 0.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.22485E-02 ppm1 2.230 ppm2 3.851 CV 1 OR { 758} (( segid "RN15" and resid 181 and name HB1 )) (( segid "RN15" and resid 182 and name HA )) OR { 758} (( segid "RN15" and resid 212 and name HB1 )) (( segid "RN15" and resid 181 and name HA )) OR { 758} (( segid "RN15" and resid 212 and name HB1 )) (( segid "RN15" and resid 169 and name HA )) ASSI { 760} (( segid "RN15" and resid 181 and name HB2 )) (( segid "RN15" and resid 181 and name HA )) 2.900 1.100 1.100 peak 760 spectrum 1 weight 0.10000E+01 volume 0.22230E-02 ppm1 1.384 ppm2 3.849 CV 1 OR { 760} (( segid "RN15" and resid 181 and name HB2 )) (( segid "RN15" and resid 182 and name HA )) ASSI { 761} (( segid "RN14" and resid 639 and name HB1 )) (( segid "RN14" and resid 636 and name HA )) 4.200 2.200 1.800 peak 761 spectrum 1 weight 0.10000E+01 volume 0.15611E-02 ppm1 1.855 ppm2 3.739 CV 1 OR { 761} (( segid "RN15" and resid 205 and name HB2 )) (( segid "RN15" and resid 206 and name HB1 )) OR { 761} (( segid "RN15" and resid 205 and name HB2 )) (( segid "RN14" and resid 636 and name HA )) ASSI { 764} (( segid "RN15" and resid 199 and name HB1 )) (( segid "RN15" and resid 199 and name HA )) 2.600 0.800 0.800 peak 764 spectrum 1 weight 0.10000E+01 volume 0.24792E-02 ppm1 1.879 ppm2 3.999 CV 1 OR { 764} (( segid "RN15" and resid 199 and name HB1 )) (( segid "RN15" and resid 206 and name HA )) ASSI { 765} (( segid "RN15" and resid 227 and name HB2 )) (( segid "RN15" and resid 227 and name HA )) 3.000 1.200 1.200 peak 765 spectrum 1 weight 0.10000E+01 volume 0.18812E-02 ppm1 1.848 ppm2 4.141 CV 1 OR { 765} (( segid "RN15" and resid 178 and name HB1 )) (( segid "RN15" and resid 179 and name HA )) OR { 765} (( segid "RN15" and resid 224 and name HB1 )) (( segid "RN15" and resid 227 and name HA )) ASSI { 767} (( segid "RN15" and resid 143 and name HG2 )) (( segid "RN15" and resid 144 and name HB2 )) 3.900 3.900 2.100 peak 767 spectrum 1 weight 0.10000E+01 volume 0.17412E-02 ppm1 2.357 ppm2 1.227 CV 1 OR { 767} (( segid "RN15" and resid 143 and name HG1 )) (( segid "RN15" and resid 144 and name HB2 )) OR { 767} (( segid "RN15" and resid 232 and name HG1 )) ( segid "RN14" and resid 650 and name HG2%) ASSI { 770} (( segid "RN15" and resid 168 and name HG1 )) (( segid "RN15" and resid 165 and name HG12)) 3.700 1.700 1.700 peak 770 spectrum 1 weight 0.10000E+01 volume 0.23384E-02 ppm1 2.353 ppm2 0.967 CV 1 OR { 770} (( segid "RN15" and resid 168 and name HG2 )) (( segid "RN15" and resid 165 and name HG12)) OR { 770} (( segid "RN15" and resid 175 and name HG1 )) ( segid "RN14" and resid 671 and name HG2%) OR { 770} (( segid "RN15" and resid 175 and name HG2 )) ( segid "RN14" and resid 671 and name HG2%) OR { 770} (( segid "RN15" and resid 175 and name HG1 )) ( segid "RN14" and resid 671 and name HG1%) ASSI { 772} (( segid "RN15" and resid 145 and name HB1 )) ( segid "RN15" and resid 148 and name HD1%) 3.500 1.600 1.600 peak 772 spectrum 1 weight 0.10000E+01 volume 0.17260E-02 ppm1 2.996 ppm2 0.735 CV 1 OR { 772} (( segid "RN15" and resid 145 and name HB1 )) ( segid "RN14" and resid 636 and name HD2%) ASSI { 774} (( segid "RN15" and resid 216 and name HB1 )) ( segid "RN15" and resid 218 and name HD1%) 3.900 1.900 1.900 peak 774 spectrum 1 weight 0.10000E+01 volume 0.21653E-02 ppm1 2.686 ppm2 0.904 CV 1 OR { 774} (( segid "RN15" and resid 216 and name HB1 )) ( segid "RN15" and resid 181 and name HD1%) OR { 774} (( segid "RN15" and resid 222 and name HB2 )) ( segid "RN15" and resid 225 and name HD1%) ASSI { 775} (( segid "RN15" and resid 216 and name HB2 )) ( segid "RN15" and resid 218 and name HD1%) 3.700 1.800 1.800 peak 775 spectrum 1 weight 0.10000E+01 volume 0.15923E-02 ppm1 2.845 ppm2 0.924 CV 1 OR { 775} (( segid "RN15" and resid 216 and name HB2 )) ( segid "RN15" and resid 181 and name HD1%) OR { 775} (( segid "RN15" and resid 145 and name HB2 )) (( segid "RN15" and resid 144 and name HG2 )) ASSI { 779} (( segid "RN15" and resid 181 and name HB1 )) ( segid "RN15" and resid 213 and name HD2%) 3.800 1.800 1.800 peak 779 spectrum 1 weight 0.10000E+01 volume 0.18097E-02 ppm1 2.236 ppm2 0.873 CV 1 OR { 779} (( segid "RN15" and resid 181 and name HB1 )) ( segid "RN14" and resid 662 and name HD1%) OR { 779} (( segid "RN15" and resid 212 and name HB1 )) ( segid "RN15" and resid 213 and name HD2%) OR { 779} (( segid "RN15" and resid 212 and name HB1 )) ( segid "RN14" and resid 662 and name HD1%) ASSI { 780} (( segid "RN15" and resid 181 and name HB1 )) ( segid "RN14" and resid 668 and name HD1%) 2.300 0.600 0.600 peak 780 spectrum 1 weight 0.10000E+01 volume 0.19871E-02 ppm1 2.234 ppm2 0.650 CV 1 OR { 780} (( segid "RN15" and resid 212 and name HB1 )) ( segid "RN14" and resid 668 and name HD1%) ASSI { 781} (( segid "RN15" and resid 149 and name HD1 )) ( segid "RN14" and resid 636 and name HD2%) 3.000 1.100 1.100 peak 781 spectrum 1 weight 0.10000E+01 volume 0.17242E-02 ppm1 3.913 ppm2 0.737 CV 1 OR { 781} (( segid "RN15" and resid 149 and name HD1 )) ( segid "RN15" and resid 148 and name HD1%) ASSI { 782} (( segid "RN15" and resid 149 and name HD2 )) ( segid "RN14" and resid 636 and name HD2%) 3.900 1.900 1.900 peak 782 spectrum 1 weight 0.10000E+01 volume 0.17711E-02 ppm1 3.384 ppm2 0.736 CV 1 OR { 782} (( segid "RN15" and resid 226 and name HD2 )) ( segid "RN14" and resid 653 and name HD2%) OR { 782} (( segid "RN15" and resid 149 and name HD2 )) ( segid "RN15" and resid 148 and name HD1%) ASSI { 788} (( segid "RN14" and resid 669 and name HD2 )) ( segid "RN15" and resid 218 and name HD1%) 3.700 1.700 1.700 peak 788 spectrum 1 weight 0.10000E+01 volume 0.15719E-02 ppm1 4.041 ppm2 0.899 CV 1 OR { 788} (( segid "RN14" and resid 669 and name HD2 )) ( segid "RN15" and resid 181 and name HD1%) ASSI { 792} (( segid "RN15" and resid 224 and name HA )) ( segid "RN15" and resid 224 and name HD1%) 4.200 2.200 1.800 peak 792 spectrum 1 weight 0.10000E+01 volume 0.16689E-02 ppm1 4.014 ppm2 0.797 CV 1 OR { 792} (( segid "RN15" and resid 224 and name HA )) ( segid "RN15" and resid 214 and name HD1%) ASSI { 794} (( segid "RN15" and resid 210 and name HA )) ( segid "RN15" and resid 224 and name HD1%) 3.400 1.400 1.400 peak 794 spectrum 1 weight 0.10000E+01 volume 0.23953E-02 ppm1 3.852 ppm2 0.797 CV 1 OR { 794} (( segid "RN15" and resid 210 and name HA )) ( segid "RN15" and resid 214 and name HD1%) ASSI { 796} (( segid "RN15" and resid 222 and name HA )) (( segid "RN15" and resid 225 and name HG12)) 3.200 1.300 1.300 peak 796 spectrum 1 weight 0.10000E+01 volume 0.19221E-02 ppm1 4.323 ppm2 1.221 CV 1 OR { 796} (( segid "RN14" and resid 630 and name HA )) (( segid "RN14" and resid 631 and name HB1 )) ASSI { 799} (( segid "RN15" and resid 214 and name HA )) ( segid "RN15" and resid 214 and name HD1%) 4.200 2.200 1.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.26912E-02 ppm1 4.332 ppm2 0.803 CV 1 OR { 799} (( segid "RN15" and resid 214 and name HA )) ( segid "RN15" and resid 224 and name HD1%) ASSI { 803} (( segid "RN15" and resid 198 and name HA )) ( segid "RN15" and resid 198 and name HD2%) 4.000 2.000 2.000 peak 803 spectrum 1 weight 0.10000E+01 volume 0.21623E-02 ppm1 3.830 ppm2 0.686 CV 1 OR { 803} (( segid "RN15" and resid 181 and name HA )) ( segid "RN15" and resid 212 and name HD1%) OR { 803} (( segid "RN15" and resid 181 and name HA )) ( segid "RN15" and resid 208 and name HG1%) ASSI { 806} (( segid "RN15" and resid 211 and name HA )) ( segid "RN15" and resid 214 and name HD1%) 2.800 1.000 1.000 peak 806 spectrum 1 weight 0.10000E+01 volume 0.22778E-02 ppm1 4.041 ppm2 0.799 CV 1 OR { 806} (( segid "RN15" and resid 211 and name HA )) ( segid "RN15" and resid 224 and name HD1%) OR { 806} (( segid "RN15" and resid 211 and name HA )) ( segid "RN15" and resid 169 and name HD1%) ASSI { 807} (( segid "RN14" and resid 656 and name HA )) ( segid "RN14" and resid 659 and name HG2%) 4.100 2.100 1.900 peak 807 spectrum 1 weight 0.10000E+01 volume 0.18939E-02 ppm1 3.904 ppm2 1.019 CV 1 OR { 807} (( segid "RN15" and resid 154 and name HA )) ( segid "RN15" and resid 156 and name HG2%) ASSI { 811} (( segid "RN15" and resid 207 and name HA )) ( segid "RN14" and resid 653 and name HD1%) 2.400 0.700 0.700 peak 811 spectrum 1 weight 0.10000E+01 volume 0.27307E-02 ppm1 4.094 ppm2 0.665 CV 1 OR { 811} (( segid "RN15" and resid 206 and name HB2 )) ( segid "RN14" and resid 653 and name HD1%) ASSI { 812} (( segid "RN14" and resid 671 and name HA )) ( segid "RN15" and resid 178 and name HD1%) 3.400 1.400 1.400 peak 812 spectrum 1 weight 0.10000E+01 volume 0.24300E-02 ppm1 4.126 ppm2 0.881 CV 1 OR { 812} (( segid "RN15" and resid 166 and name HA )) ( segid "RN15" and resid 165 and name HG2%) OR { 812} (( segid "RN15" and resid 166 and name HA )) ( segid "RN15" and resid 165 and name HD1%) OR { 812} (( segid "RN15" and resid 166 and name HA )) ( segid "RN14" and resid 642 and name HG2%) ASSI { 815} (( segid "RN15" and resid 165 and name HA )) (( segid "RN15" and resid 165 and name HG12)) 2.700 0.900 0.900 peak 815 spectrum 1 weight 0.10000E+01 volume 0.22235E-02 ppm1 3.627 ppm2 0.969 CV 1 OR { 815} (( segid "RN15" and resid 221 and name HA )) ( segid "RN15" and resid 213 and name HD1%) ASSI { 817} (( segid "RN15" and resid 188 and name HB )) ( segid "RN14" and resid 659 and name HG1%) 3.500 1.600 1.600 peak 817 spectrum 1 weight 0.10000E+01 volume 0.26966E-02 ppm1 3.827 ppm2 0.920 CV 1 OR { 817} (( segid "RN15" and resid 188 and name HB )) ( segid "RN15" and resid 199 and name HD2%) ASSI { 818} (( segid "RN15" and resid 225 and name HA )) ( segid "RN15" and resid 228 and name HB% ) 3.200 1.300 1.300 peak 818 spectrum 1 weight 0.10000E+01 volume 0.16214E-02 ppm1 3.891 ppm2 1.482 CV 1 OR { 818} (( segid "RN15" and resid 225 and name HA )) (( segid "RN14" and resid 653 and name HB1 )) OR { 818} (( segid "RN15" and resid 225 and name HA )) (( segid "RN15" and resid 227 and name HB1 )) ASSI { 819} (( segid "RN15" and resid 225 and name HA )) (( segid "RN15" and resid 225 and name HG11)) 3.500 1.600 1.600 peak 819 spectrum 1 weight 0.10000E+01 volume 0.21995E-02 ppm1 3.908 ppm2 1.733 CV 1 OR { 819} (( segid "RN15" and resid 225 and name HA )) (( segid "RN15" and resid 226 and name HB2 )) ASSI { 820} (( segid "RN15" and resid 225 and name HA )) (( segid "RN15" and resid 225 and name HB )) 2.900 1.100 1.100 peak 820 spectrum 1 weight 0.10000E+01 volume 0.20563E-02 ppm1 3.896 ppm2 2.020 CV 1 OR { 820} (( segid "RN15" and resid 161 and name HA )) (( segid "RN14" and resid 643 and name HG1 )) ASSI { 821} (( segid "RN15" and resid 208 and name HA )) (( segid "RN15" and resid 168 and name HB2 )) 4.400 2.400 1.600 peak 821 spectrum 1 weight 0.10000E+01 volume 0.22976E-02 ppm1 3.500 ppm2 2.021 CV 1 OR { 821} (( segid "RN15" and resid 208 and name HA )) (( segid "RN15" and resid 168 and name HB1 )) OR { 821} (( segid "RN15" and resid 208 and name HA )) (( segid "RN15" and resid 177 and name HB2 )) OR { 821} (( segid "RN15" and resid 208 and name HA )) (( segid "RN14" and resid 643 and name HG1 )) ASSI { 825} (( segid "RN15" and resid 166 and name HA )) (( segid "RN15" and resid 169 and name HG )) 3.800 1.800 1.800 peak 825 spectrum 1 weight 0.10000E+01 volume 0.18500E-02 ppm1 4.130 ppm2 1.947 CV 1 OR { 825} (( segid "RN15" and resid 166 and name HA )) (( segid "RN15" and resid 169 and name HB1 )) OR { 825} (( segid "RN14" and resid 671 and name HA )) (( segid "RN14" and resid 669 and name HB2 )) OR { 825} (( segid "RN15" and resid 166 and name HA )) (( segid "RN15" and resid 165 and name HG11)) OR { 825} (( segid "RN15" and resid 166 and name HA )) (( segid "RN15" and resid 212 and name HG )) ASSI { 827} (( segid "RN15" and resid 166 and name HB2 )) ( segid "RN15" and resid 170 and name HB% ) 3.900 1.900 1.900 peak 827 spectrum 1 weight 0.10000E+01 volume 0.24361E-02 ppm1 3.990 ppm2 1.488 CV 1 OR { 827} (( segid "RN15" and resid 167 and name HB2 )) ( segid "RN15" and resid 170 and name HB% ) OR { 827} (( segid "RN15" and resid 166 and name HB1 )) ( segid "RN15" and resid 170 and name HB% ) OR { 827} (( segid "RN15" and resid 167 and name HB1 )) ( segid "RN15" and resid 170 and name HB% ) ASSI { 828} (( segid "RN15" and resid 156 and name HA )) (( segid "RN15" and resid 156 and name HG12)) 3.800 1.800 1.800 peak 828 spectrum 1 weight 0.10000E+01 volume 0.20525E-02 ppm1 4.602 ppm2 1.431 CV 1 OR { 828} (( segid "RN15" and resid 156 and name HA )) (( segid "RN15" and resid 156 and name HG11)) OR { 828} (( segid "RN15" and resid 149 and name HA )) (( segid "RN14" and resid 639 and name HB2 )) OR { 828} (( segid "RN15" and resid 156 and name HA )) (( segid "RN15" and resid 161 and name HG2 )) ASSI { 830} (( segid "RN14" and resid 661 and name HA )) (( segid "RN14" and resid 665 and name HB2 )) 2.600 2.600 3.400 peak 830 spectrum 1 weight 0.10000E+01 volume 0.19063E-02 ppm1 4.227 ppm2 1.958 CV 1 OR { 830} (( segid "RN15" and resid 167 and name HA )) (( segid "RN15" and resid 169 and name HG )) ASSI { 833} (( segid "RN15" and resid 174 and name HA )) (( segid "RN15" and resid 177 and name HG2 )) 2.500 0.800 0.800 peak 833 spectrum 1 weight 0.10000E+01 volume 0.27898E-02 ppm1 3.789 ppm2 2.654 CV 1 OR { 833} (( segid "RN15" and resid 177 and name HA )) (( segid "RN15" and resid 177 and name HG2 )) ASSI { 835} (( segid "RN15" and resid 200 and name HA )) (( segid "RN14" and resid 656 and name HG1 )) 3.800 3.800 2.200 peak 835 spectrum 1 weight 0.10000E+01 volume 0.29091E-02 ppm1 4.130 ppm2 2.445 CV 1 OR { 835} (( segid "RN15" and resid 200 and name HA )) (( segid "RN15" and resid 202 and name HB2 )) ASSI { 836} (( segid "RN14" and resid 657 and name HA )) ( segid "RN14" and resid 655 and name HB% ) 4.400 2.400 1.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.16534E-02 ppm1 4.080 ppm2 1.603 CV 1 OR { 836} (( segid "RN14" and resid 657 and name HA )) (( segid "RN14" and resid 658 and name HG )) OR { 836} (( segid "RN14" and resid 657 and name HA )) (( segid "RN14" and resid 665 and name HB1 )) ASSI { 837} (( segid "RN15" and resid 179 and name HA )) (( segid "RN15" and resid 179 and name HG1 )) 3.100 1.200 1.200 peak 837 spectrum 1 weight 0.10000E+01 volume 0.26917E-02 ppm1 4.168 ppm2 1.627 CV 1 OR { 837} (( segid "RN14" and resid 647 and name HA )) (( segid "RN15" and resid 161 and name HB2 )) ASSI { 838} (( segid "RN14" and resid 636 and name HA )) (( segid "RN14" and resid 639 and name HB1 )) 3.900 1.900 1.900 peak 838 spectrum 1 weight 0.10000E+01 volume 0.20339E-02 ppm1 3.741 ppm2 1.873 CV 1 OR { 838} (( segid "RN14" and resid 636 and name HA )) (( segid "RN15" and resid 205 and name HB2 )) ASSI { 839} (( segid "RN15" and resid 181 and name HA )) (( segid "RN15" and resid 181 and name HB1 )) 2.500 0.800 0.800 peak 839 spectrum 1 weight 0.10000E+01 volume 0.27603E-02 ppm1 3.834 ppm2 2.229 CV 1 OR { 839} (( segid "RN15" and resid 181 and name HA )) (( segid "RN15" and resid 185 and name HB1 )) OR { 839} (( segid "RN15" and resid 181 and name HA )) (( segid "RN15" and resid 212 and name HB1 )) OR { 839} (( segid "RN15" and resid 181 and name HA )) (( segid "RN15" and resid 213 and name HG )) ASSI { 840} (( segid "RN15" and resid 181 and name HA )) (( segid "RN15" and resid 181 and name HG )) 3.100 1.200 1.200 peak 840 spectrum 1 weight 0.10000E+01 volume 0.18864E-02 ppm1 3.850 ppm2 2.102 CV 1 OR { 840} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 211 and name HG1 )) OR { 840} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 211 and name HG2 )) OR { 840} (( segid "RN15" and resid 169 and name HA )) (( segid "RN15" and resid 208 and name HB )) ASSI { 841} (( segid "RN15" and resid 214 and name HA )) (( segid "RN15" and resid 214 and name HG )) 3.200 1.300 1.300 peak 841 spectrum 1 weight 0.10000E+01 volume 0.28066E-02 ppm1 4.328 ppm2 1.753 CV 1 OR { 841} (( segid "RN15" and resid 214 and name HA )) (( segid "RN15" and resid 220 and name HB1 )) OR { 841} (( segid "RN15" and resid 214 and name HA )) (( segid "RN15" and resid 220 and name HD2 )) ASSI { 842} (( segid "RN15" and resid 133 and name HA )) (( segid "RN15" and resid 133 and name HG1 )) 2.900 1.100 1.100 peak 842 spectrum 1 weight 0.10000E+01 volume 0.59444E-02 ppm1 4.249 ppm2 2.280 CV 1 OR { 842} (( segid "RN15" and resid 133 and name HA )) (( segid "RN15" and resid 133 and name HG2 )) OR { 842} (( segid "RN15" and resid 147 and name HA )) (( segid "RN15" and resid 147 and name HG2 )) OR { 842} (( segid "RN15" and resid 147 and name HA )) (( segid "RN15" and resid 147 and name HG1 )) ASSI { 844} (( segid "RN15" and resid 210 and name HA )) (( segid "RN15" and resid 213 and name HG )) 3.200 1.200 1.200 peak 844 spectrum 1 weight 0.10000E+01 volume 0.20382E-02 ppm1 3.859 ppm2 2.228 CV 1 OR { 844} (( segid "RN15" and resid 210 and name HA )) (( segid "RN15" and resid 212 and name HB1 )) ASSI { 845} (( segid "RN15" and resid 162 and name HA )) (( segid "RN15" and resid 165 and name HB )) 3.000 1.100 1.100 peak 845 spectrum 1 weight 0.10000E+01 volume 0.27381E-02 ppm1 3.955 ppm2 2.212 CV 1 OR { 845} (( segid "RN15" and resid 162 and name HA )) (( segid "RN15" and resid 161 and name HG1 )) OR { 845} (( segid "RN15" and resid 196 and name HA )) (( segid "RN14" and resid 656 and name HB1 )) OR { 845} (( segid "RN15" and resid 162 and name HA )) (( segid "RN15" and resid 163 and name HB1 )) ASSI { 846} (( segid "RN14" and resid 655 and name HA )) (( segid "RN15" and resid 199 and name HB1 )) 3.100 1.200 1.200 peak 846 spectrum 1 weight 0.10000E+01 volume 0.18440E-02 ppm1 3.925 ppm2 1.890 CV 1 OR { 846} (( segid "RN15" and resid 196 and name HA )) (( segid "RN15" and resid 199 and name HB1 )) ASSI { 847} (( segid "RN15" and resid 205 and name HA )) (( segid "RN15" and resid 205 and name HB2 )) 2.400 0.700 0.700 peak 847 spectrum 1 weight 0.10000E+01 volume 0.24061E-02 ppm1 4.060 ppm2 1.886 CV 1 OR { 847} (( segid "RN15" and resid 205 and name HA )) (( segid "RN15" and resid 204 and name HB1 )) OR { 847} (( segid "RN15" and resid 205 and name HA )) (( segid "RN14" and resid 639 and name HB1 )) ASSI { 848} (( segid "RN14" and resid 638 and name HA )) (( segid "RN14" and resid 638 and name HG )) 3.000 1.100 1.100 peak 848 spectrum 1 weight 0.10000E+01 volume 0.21102E-02 ppm1 4.137 ppm2 1.361 CV 1 OR { 848} (( segid "RN14" and resid 638 and name HA )) (( segid "RN14" and resid 642 and name HG12)) ASSI { 849} (( segid "RN15" and resid 163 and name HA )) ( segid "RN15" and resid 162 and name HB% ) 3.800 1.800 1.800 peak 849 spectrum 1 weight 0.10000E+01 volume 0.16425E-02 ppm1 4.258 ppm2 1.424 CV 1 OR { 849} (( segid "RN14" and resid 658 and name HA )) (( segid "RN15" and resid 227 and name HG )) ASSI { 851} (( segid "RN14" and resid 639 and name HA )) (( segid "RN14" and resid 639 and name HB1 )) 2.600 0.800 0.800 peak 851 spectrum 1 weight 0.10000E+01 volume 0.25124E-02 ppm1 3.821 ppm2 1.865 CV 1 OR { 851} (( segid "RN14" and resid 639 and name HA )) (( segid "RN15" and resid 205 and name HB2 )) OR { 851} (( segid "RN15" and resid 198 and name HA )) (( segid "RN15" and resid 201 and name HB2 )) ASSI { 852} (( segid "RN15" and resid 195 and name HA )) (( segid "RN15" and resid 198 and name HB2 )) 3.400 1.500 1.500 peak 852 spectrum 1 weight 0.10000E+01 volume 0.18824E-02 ppm1 4.394 ppm2 1.498 CV 1 OR { 852} (( segid "RN15" and resid 195 and name HA )) ( segid "RN15" and resid 196 and name HB% ) ASSI { 854} (( segid "RN15" and resid 224 and name HA )) (( segid "RN15" and resid 224 and name HB1 )) 2.400 0.700 0.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.31864E-02 ppm1 4.013 ppm2 1.842 CV 1 OR { 854} (( segid "RN15" and resid 224 and name HA )) (( segid "RN15" and resid 227 and name HB2 )) ASSI { 855} (( segid "RN15" and resid 224 and name HA )) (( segid "RN15" and resid 224 and name HB2 )) 3.100 1.200 1.200 peak 855 spectrum 1 weight 0.10000E+01 volume 0.28947E-02 ppm1 4.012 ppm2 1.355 CV 1 OR { 855} (( segid "RN15" and resid 224 and name HA )) ( segid "RN15" and resid 210 and name HB% ) OR { 855} (( segid "RN15" and resid 224 and name HA )) (( segid "RN14" and resid 658 and name HB2 )) ASSI { 856} (( segid "RN15" and resid 170 and name HA )) (( segid "RN15" and resid 172 and name HG1 )) 4.400 2.400 1.600 peak 856 spectrum 1 weight 0.10000E+01 volume 0.22387E-02 ppm1 4.141 ppm2 1.610 CV 1 OR { 856} (( segid "RN15" and resid 227 and name HA )) (( segid "RN14" and resid 658 and name HG )) OR { 856} (( segid "RN15" and resid 170 and name HA )) (( segid "RN15" and resid 172 and name HD1 )) OR { 856} (( segid "RN15" and resid 227 and name HA )) (( segid "RN14" and resid 665 and name HB1 )) ASSI { 859} (( segid "RN15" and resid 172 and name HA )) (( segid "RN15" and resid 172 and name HB1 )) 2.900 1.000 1.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.18761E-02 ppm1 4.824 ppm2 2.073 CV 1 OR { 859} (( segid "RN15" and resid 191 and name HA )) (( segid "RN15" and resid 193 and name HB1 )) ASSI { 860} (( segid "RN15" and resid 226 and name HD2 )) (( segid "RN15" and resid 225 and name HG11)) 3.100 1.200 1.200 peak 860 spectrum 1 weight 0.10000E+01 volume 0.20761E-02 ppm1 3.386 ppm2 1.732 CV 1 OR { 860} (( segid "RN15" and resid 149 and name HD2 )) (( segid "RN15" and resid 149 and name HB1 )) OR { 860} (( segid "RN15" and resid 226 and name HD2 )) (( segid "RN15" and resid 226 and name HB2 )) ASSI { 861} (( segid "RN15" and resid 231 and name HD1 )) (( segid "RN15" and resid 230 and name HB2 )) 4.100 2.100 1.900 peak 861 spectrum 1 weight 0.10000E+01 volume 0.18482E-02 ppm1 3.670 ppm2 1.760 CV 1 OR { 861} (( segid "RN15" and resid 226 and name HD1 )) (( segid "RN15" and resid 226 and name HB2 )) ASSI { 863} (( segid "RN14" and resid 669 and name HD2 )) (( segid "RN14" and resid 669 and name HB2 )) 3.700 1.700 1.700 peak 863 spectrum 1 weight 0.10000E+01 volume 0.15976E-02 ppm1 4.035 ppm2 1.961 CV 1 OR { 863} (( segid "RN14" and resid 669 and name HD2 )) (( segid "RN14" and resid 668 and name HB )) ASSI { 864} (( segid "RN15" and resid 144 and name HE2 )) (( segid "RN15" and resid 144 and name HB1 )) 3.300 1.400 1.400 peak 864 spectrum 1 weight 0.10000E+01 volume 0.34490E-02 ppm1 2.881 ppm2 1.432 CV 1 OR { 864} (( segid "RN15" and resid 171 and name HE2 )) (( segid "RN15" and resid 171 and name HG2 )) ASSI { 877} (( segid "RN14" and resid 629 and name HA )) (( segid "RN14" and resid 628 and name HB1 )) 3.700 1.700 1.700 peak 877 spectrum 1 weight 0.10000E+01 volume 0.17318E-02 ppm1 4.394 ppm2 2.745 CV 1 OR { 877} (( segid "RN14" and resid 629 and name HA )) (( segid "RN14" and resid 628 and name HB2 )) OR { 877} (( segid "RN15" and resid 127 and name HA )) (( segid "RN15" and resid 128 and name HB1 )) OR { 877} (( segid "RN15" and resid 135 and name HA )) (( segid "RN15" and resid 134 and name HB1 )) ASSI { 878} (( segid "RN14" and resid 634 and name HA )) (( segid "RN14" and resid 637 and name HB2 )) 3.300 1.400 1.400 peak 878 spectrum 1 weight 0.10000E+01 volume 0.23207E-02 ppm1 4.077 ppm2 2.608 CV 1 OR { 878} (( segid "RN14" and resid 634 and name HA )) (( segid "RN14" and resid 637 and name HB1 )) OR { 878} (( segid "RN14" and resid 634 and name HA )) (( segid "RN14" and resid 632 and name HB1 )) ASSI { 879} (( segid "RN14" and resid 640 and name HB2 )) (( segid "RN15" and resid 204 and name HG1 )) 3.600 3.600 2.400 peak 879 spectrum 1 weight 0.10000E+01 volume 0.20192E-02 ppm1 3.960 ppm2 2.839 CV 1 OR { 879} (( segid "RN15" and resid 150 and name HB2 )) (( segid "RN15" and resid 204 and name HG1 )) OR { 879} (( segid "RN15" and resid 150 and name HB1 )) (( segid "RN15" and resid 204 and name HG1 )) ASSI { 894} ( segid "RN14" and resid 662 and name HD2%) ( segid "RN15" and resid 184 and name HD% ) 2.900 1.100 1.100 peak 894 spectrum 1 weight 0.10000E+01 volume 0.20951E-02 ppm1 0.797 ppm2 7.011 CV 1 OR { 894} ( segid "RN15" and resid 169 and name HD1%) ( segid "RN15" and resid 180 and name HD% ) OR { 894} ( segid "RN15" and resid 224 and name HD1%) ( segid "RN14" and resid 661 and name HD% ) ASSI { 895} ( segid "RN15" and resid 148 and name HD1%) ( segid "RN15" and resid 145 and name HD% ) 3.800 1.800 1.800 peak 895 spectrum 1 weight 0.10000E+01 volume 0.17920E-02 ppm1 0.756 ppm2 7.229 CV 1 OR { 895} ( segid "RN15" and resid 148 and name HD1%) ( segid "RN15" and resid 140 and name HD% ) ASSI { 902} ( segid "RN14" and resid 650 and name HG2%) (( segid "RN14" and resid 651 and name HB1 )) 4.100 2.100 1.900 peak 902 spectrum 1 weight 0.10000E+01 volume 0.23289E-02 ppm1 1.242 ppm2 3.009 CV 1 OR { 902} ( segid "RN14" and resid 674 and name HG2%) (( segid "RN14" and resid 675 and name HE2 )) ASSI { 903} ( segid "RN14" and resid 650 and name HG2%) (( segid "RN14" and resid 651 and name HB2 )) 3.500 1.500 1.500 peak 903 spectrum 1 weight 0.10000E+01 volume 0.19399E-02 ppm1 1.257 ppm2 2.901 CV 1 OR { 903} ( segid "RN14" and resid 650 and name HG2%) (( segid "RN14" and resid 648 and name HB2 )) OR { 903} ( segid "RN15" and resid 209 and name HG2%) (( segid "RN15" and resid 219 and name HB2 )) OR { 903} ( segid "RN15" and resid 209 and name HG2%) (( segid "RN15" and resid 223 and name HB2 )) ASSI { 904} ( segid "RN14" and resid 641 and name HG1%) (( segid "RN14" and resid 640 and name HB2 )) 3.300 1.400 1.400 peak 904 spectrum 1 weight 0.10000E+01 volume 0.19606E-02 ppm1 0.867 ppm2 3.946 CV 1 OR { 904} ( segid "RN14" and resid 641 and name HG1%) (( segid "RN15" and resid 151 and name HA2 )) OR { 904} ( segid "RN14" and resid 641 and name HG1%) (( segid "RN14" and resid 643 and name HD1 )) ASSI { 906} ( segid "RN15" and resid 199 and name HD2%) (( segid "RN15" and resid 206 and name HB1 )) 3.300 1.400 1.400 peak 906 spectrum 1 weight 0.10000E+01 volume 0.18007E-02 ppm1 0.933 ppm2 3.756 CV 1 OR { 906} ( segid "RN14" and resid 658 and name HD1%) (( segid "RN14" and resid 662 and name HA )) OR { 906} ( segid "RN14" and resid 658 and name HD1%) (( segid "RN15" and resid 206 and name HB1 )) ASSI { 913} (( segid "RN15" and resid 174 and name HG2 )) (( segid "RN15" and resid 216 and name HB2 )) 3.300 3.300 2.700 peak 913 spectrum 1 weight 0.10000E+01 volume 0.21559E-02 ppm1 1.430 ppm2 2.854 CV 1 OR { 913} (( segid "RN15" and resid 172 and name HG2 )) (( segid "RN15" and resid 171 and name HE2 )) ASSI { 916} ( segid "RN14" and resid 668 and name HD1%) (( segid "RN15" and resid 185 and name HB2 )) 3.000 1.100 1.100 peak 916 spectrum 1 weight 0.10000E+01 volume 0.21883E-02 ppm1 0.647 ppm2 1.819 CV 1 OR { 916} ( segid "RN14" and resid 668 and name HD1%) (( segid "RN15" and resid 178 and name HB1 )) ASSI { 920} ( segid "RN14" and resid 655 and name HB% ) (( segid "RN14" and resid 657 and name HD1 )) 3.800 1.800 1.800 peak 920 spectrum 1 weight 0.10000E+01 volume 0.26289E-02 ppm1 1.584 ppm2 1.827 CV 1 OR { 920} ( segid "RN14" and resid 655 and name HB% ) (( segid "RN14" and resid 657 and name HD2 )) OR { 920} ( segid "RN14" and resid 655 and name HB% ) (( segid "RN15" and resid 227 and name HB2 )) ASSI { 921} ( segid "RN15" and resid 221 and name HG1%) (( segid "RN15" and resid 225 and name HG11)) 3.900 1.900 1.900 peak 921 spectrum 1 weight 0.10000E+01 volume 0.31767E-02 ppm1 1.009 ppm2 1.741 CV 1 OR { 921} ( segid "RN15" and resid 221 and name HG1%) (( segid "RN15" and resid 220 and name HB1 )) OR { 921} ( segid "RN15" and resid 221 and name HG1%) (( segid "RN15" and resid 214 and name HG )) ASSI { 922} ( segid "RN14" and resid 670 and name HG2%) (( segid "RN15" and resid 182 and name HG2 )) 3.100 1.200 1.200 peak 922 spectrum 1 weight 0.10000E+01 volume 0.22970E-02 ppm1 1.237 ppm2 2.297 CV 1 OR { 922} ( segid "RN14" and resid 670 and name HG2%) (( segid "RN14" and resid 672 and name HG2 )) ASSI { 923} ( segid "RN15" and resid 215 and name HG2%) (( segid "RN15" and resid 212 and name HB1 )) 3.400 1.400 1.400 peak 923 spectrum 1 weight 0.10000E+01 volume 0.22866E-02 ppm1 1.396 ppm2 2.235 CV 1 OR { 923} ( segid "RN15" and resid 215 and name HG2%) (( segid "RN15" and resid 213 and name HG )) ASSI { 924} ( segid "RN15" and resid 215 and name HG2%) (( segid "RN15" and resid 177 and name HB2 )) 3.200 1.300 1.300 peak 924 spectrum 1 weight 0.10000E+01 volume 0.28898E-02 ppm1 1.394 ppm2 2.031 CV 1 OR { 924} ( segid "RN15" and resid 215 and name HG2%) (( segid "RN14" and resid 669 and name HG2 )) OR { 924} ( segid "RN15" and resid 215 and name HG2%) (( segid "RN14" and resid 669 and name HG1 )) ASSI { 927} ( segid "RN15" and resid 176 and name HG2%) (( segid "RN15" and resid 173 and name HB2 )) 3.100 1.200 1.200 peak 927 spectrum 1 weight 0.10000E+01 volume 0.22157E-02 ppm1 1.162 ppm2 2.615 CV 1 OR { 927} ( segid "RN15" and resid 176 and name HG2%) (( segid "RN15" and resid 177 and name HG2 )) ASSI { 928} ( segid "RN14" and resid 652 and name HD2%) (( segid "RN15" and resid 203 and name HG2 )) 3.300 1.300 1.300 peak 928 spectrum 1 weight 0.10000E+01 volume 0.17909E-02 ppm1 0.964 ppm2 2.286 CV 1 OR { 928} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 147 and name HG2 )) OR { 928} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 147 and name HG1 )) OR { 928} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 146 and name HB1 )) OR { 928} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 200 and name HB2 )) OR { 928} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 133 and name HG2 )) OR { 928} ( segid "RN15" and resid 141 and name HD2%) (( segid "RN15" and resid 133 and name HG1 )) ASSI { 932} (( segid "RN14" and resid 644 and name HG2 )) (( segid "RN14" and resid 644 and name HB1 )) 2.900 1.000 1.000 peak 932 spectrum 1 weight 0.10000E+01 volume 0.20743E-02 ppm1 1.642 ppm2 2.393 CV 1 OR { 932} (( segid "RN15" and resid 179 and name HG1 )) (( segid "RN15" and resid 175 and name HG2 )) ASSI { 939} (( segid "RN14" and resid 668 and name HG11)) (( segid "RN15" and resid 181 and name HB1 )) 2.500 0.800 0.800 peak 939 spectrum 1 weight 0.10000E+01 volume 0.18951E-02 ppm1 1.309 ppm2 2.234 CV 1 OR { 939} (( segid "RN15" and resid 198 and name HG )) (( segid "RN15" and resid 198 and name HB1 )) ASSI { 940} (( segid "RN14" and resid 668 and name HG12)) (( segid "RN14" and resid 668 and name HB )) 2.500 0.800 0.800 peak 940 spectrum 1 weight 0.10000E+01 volume 0.31977E-02 ppm1 1.183 ppm2 1.992 CV 1 OR { 940} (( segid "RN14" and resid 668 and name HG12)) (( segid "RN15" and resid 185 and name HG2 )) ASSI { 943} (( segid "RN15" and resid 225 and name HG12)) (( segid "RN15" and resid 225 and name HG11)) 1.600 0.300 0.600 peak 943 spectrum 1 weight 0.10000E+01 volume 0.97165E-02 ppm1 1.221 ppm2 1.738 CV 1 OR { 943} (( segid "RN15" and resid 225 and name HG12)) (( segid "RN15" and resid 226 and name HB2 )) ASSI { 946} (( segid "RN14" and resid 632 and name HB2 )) (( segid "RN14" and resid 632 and name HB1 )) 1.800 0.400 0.400 peak 946 spectrum 1 weight 0.10000E+01 volume 0.74026E-02 ppm1 1.837 ppm2 2.623 CV 1 OR { 946} (( segid "RN15" and resid 174 and name HB2 )) (( segid "RN15" and resid 177 and name HG2 )) ASSI { 952} (( segid "RN15" and resid 199 and name HB2 )) (( segid "RN15" and resid 199 and name HG )) 2.600 0.800 0.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.22667E-02 ppm1 1.530 ppm2 1.999 CV 1 OR { 952} (( segid "RN14" and resid 636 and name HB2 )) (( segid "RN15" and resid 149 and name HG1 )) OR { 952} (( segid "RN14" and resid 636 and name HB2 )) (( segid "RN14" and resid 635 and name HB )) ASSI { 954} (( segid "RN15" and resid 224 and name HG )) ( segid "RN15" and resid 224 and name HD2%) 2.500 0.800 0.800 peak 954 spectrum 1 weight 0.10000E+01 volume 0.28585E-02 ppm1 1.589 ppm2 0.470 CV 1 OR { 954} (( segid "RN14" and resid 662 and name HG )) ( segid "RN14" and resid 666 and name HG2%) ASSI { 955} (( segid "RN15" and resid 227 and name HG )) ( segid "RN15" and resid 227 and name HD1%) 2.200 0.600 0.600 peak 955 spectrum 1 weight 0.10000E+01 volume 0.44877E-02 ppm1 1.450 ppm2 0.379 CV 1 OR { 955} (( segid "RN15" and resid 156 and name HG11)) ( segid "RN15" and resid 154 and name HG1%) OR { 955} (( segid "RN15" and resid 156 and name HG12)) ( segid "RN15" and resid 154 and name HG1%) ASSI { 961} (( segid "RN14" and resid 639 and name HG )) ( segid "RN14" and resid 635 and name HG1%) 2.700 0.900 0.900 peak 961 spectrum 1 weight 0.10000E+01 volume 0.28187E-02 ppm1 1.773 ppm2 0.623 CV 1 OR { 961} (( segid "RN14" and resid 639 and name HG )) ( segid "RN15" and resid 205 and name HD1%) OR { 961} (( segid "RN14" and resid 639 and name HG )) ( segid "RN15" and resid 205 and name HD2%) OR { 961} (( segid "RN14" and resid 639 and name HG )) ( segid "RN15" and resid 148 and name HD2%) ASSI { 967} (( segid "RN15" and resid 208 and name HB )) ( segid "RN15" and resid 169 and name HD1%) 4.000 2.000 2.000 peak 967 spectrum 1 weight 0.10000E+01 volume 0.25977E-02 ppm1 2.104 ppm2 0.800 CV 1 OR { 967} (( segid "RN15" and resid 221 and name HB )) ( segid "RN15" and resid 214 and name HD1%) OR { 967} (( segid "RN15" and resid 221 and name HB )) ( segid "RN15" and resid 224 and name HD1%) ASSI { 969} (( segid "RN15" and resid 192 and name HB2 )) ( segid "RN14" and resid 659 and name HG1%) 3.100 1.200 1.200 peak 969 spectrum 1 weight 0.10000E+01 volume 0.27351E-02 ppm1 1.931 ppm2 0.921 CV 1 OR { 969} (( segid "RN15" and resid 203 and name HB2 )) ( segid "RN14" and resid 652 and name HD2%) OR { 969} (( segid "RN15" and resid 192 and name HB1 )) ( segid "RN14" and resid 659 and name HG1%) ASSI { 970} (( segid "RN14" and resid 666 and name HB )) ( segid "RN14" and resid 662 and name HD1%) 2.900 1.000 1.000 peak 970 spectrum 1 weight 0.10000E+01 volume 0.16586E-02 ppm1 1.829 ppm2 0.858 CV 1 OR { 970} (( segid "RN14" and resid 666 and name HB )) ( segid "RN15" and resid 213 and name HD2%) ASSI { 971} (( segid "RN15" and resid 211 and name HG1 )) ( segid "RN15" and resid 169 and name HD1%) 2.800 1.000 1.000 peak 971 spectrum 1 weight 0.10000E+01 volume 0.29369E-02 ppm1 2.067 ppm2 0.798 CV 1 OR { 971} (( segid "RN15" and resid 211 and name HG2 )) ( segid "RN15" and resid 169 and name HD1%) OR { 971} (( segid "RN15" and resid 211 and name HG2 )) ( segid "RN15" and resid 214 and name HD1%) OR { 971} (( segid "RN15" and resid 211 and name HG2 )) ( segid "RN15" and resid 224 and name HD1%) OR { 971} (( segid "RN15" and resid 211 and name HG1 )) ( segid "RN15" and resid 214 and name HD1%) ASSI { 973} (( segid "RN14" and resid 644 and name HB1 )) ( segid "RN15" and resid 156 and name HD1%) 4.000 2.000 2.000 peak 973 spectrum 1 weight 0.10000E+01 volume 0.18866E-02 ppm1 2.377 ppm2 0.918 CV 1 OR { 973} (( segid "RN14" and resid 644 and name HB1 )) ( segid "RN15" and resid 165 and name HD1%) OR { 973} (( segid "RN14" and resid 644 and name HB1 )) ( segid "RN14" and resid 652 and name HD2%) ASSI { 974} (( segid "RN14" and resid 642 and name HB )) ( segid "RN14" and resid 642 and name HD1%) 3.100 1.200 1.200 peak 974 spectrum 1 weight 0.10000E+01 volume 0.15968E-02 ppm1 1.980 ppm2 0.540 CV 1 OR { 974} (( segid "RN15" and resid 218 and name HB )) ( segid "RN14" and resid 666 and name HG1%) ASSI { 975} (( segid "RN15" and resid 199 and name HB1 )) ( segid "RN15" and resid 199 and name HD1%) 2.700 0.900 0.900 peak 975 spectrum 1 weight 0.10000E+01 volume 0.28745E-02 ppm1 1.879 ppm2 1.001 CV 1 OR { 975} (( segid "RN15" and resid 199 and name HB1 )) ( segid "RN14" and resid 659 and name HG2%) ASSI { 976} (( segid "RN15" and resid 199 and name HB2 )) ( segid "RN15" and resid 199 and name HD1%) 2.700 0.900 0.900 peak 976 spectrum 1 weight 0.10000E+01 volume 0.27951E-02 ppm1 1.534 ppm2 1.000 CV 1 OR { 976} (( segid "RN15" and resid 199 and name HB2 )) ( segid "RN14" and resid 659 and name HG2%) ASSI { 985} (( segid "RN15" and resid 212 and name HB2 )) ( segid "RN15" and resid 212 and name HD1%) 2.500 0.800 0.800 peak 985 spectrum 1 weight 0.10000E+01 volume 0.30531E-02 ppm1 1.206 ppm2 0.687 CV 1 OR { 985} (( segid "RN15" and resid 212 and name HB2 )) ( segid "RN15" and resid 208 and name HG1%) ASSI { 997} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN15" and resid 187 and name HB2 )) 4.900 3.000 1.100 peak 997 spectrum 1 weight 0.10000E+01 volume 0.73786E-03 ppm1 -0.063 ppm2 3.722 CV 1 OR { 997} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 636 and name HA )) OR { 997} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 635 and name HA )) OR { 997} ( segid "RN14" and resid 631 and name HD2%) (( segid "RN14" and resid 633 and name HA )) ASSI { 1004} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN15" and resid 198 and name HG )) 2.800 2.800 3.200 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.24252E-02 ppm1 0.184 ppm2 1.300 CV 1 OR { 1004} ( segid "RN14" and resid 631 and name HD1%) ( segid "RN14" and resid 633 and name HG2%) ASSI { 1005} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN14" and resid 636 and name HG )) 4.300 2.300 1.700 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.10203E-02 ppm1 0.166 ppm2 1.490 CV 1 OR { 1005} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN14" and resid 636 and name HB2 )) OR { 1005} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN15" and resid 205 and name HB1 )) ASSI { 1006} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN15" and resid 147 and name HB2 )) 4.300 2.400 1.700 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.67298E-03 ppm1 0.171 ppm2 2.101 CV 1 OR { 1006} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN15" and resid 208 and name HB )) ASSI { 1008} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN14" and resid 636 and name HA )) 4.500 2.500 1.500 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.70993E-03 ppm1 0.187 ppm2 3.723 CV 1 OR { 1008} ( segid "RN14" and resid 631 and name HD1%) (( segid "RN14" and resid 633 and name HA )) ASSI { 1014} (( segid "RN15" and resid 209 and name HB )) ( segid "RN15" and resid 208 and name HG1%) 5.000 3.100 1.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.48445E-03 ppm1 4.364 ppm2 0.682 CV 1 OR { 1014} (( segid "RN15" and resid 209 and name HB )) ( segid "RN14" and resid 653 and name HD1%) OR { 1014} (( segid "RN15" and resid 209 and name HB )) ( segid "RN15" and resid 212 and name HD1%) ASSI { 1015} (( segid "RN15" and resid 209 and name HB )) ( segid "RN14" and resid 662 and name HD2%) 4.800 2.900 1.200 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.42611E-03 ppm1 4.356 ppm2 0.803 CV 1 OR { 1015} (( segid "RN15" and resid 209 and name HB )) ( segid "RN15" and resid 169 and name HD1%) OR { 1015} (( segid "RN15" and resid 209 and name HB )) ( segid "RN15" and resid 224 and name HD1%) ASSI { 1022} (( segid "RN15" and resid 149 and name HD1 )) ( segid "RN15" and resid 148 and name HD2%) 4.600 2.600 1.400 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.47015E-03 ppm1 3.905 ppm2 0.593 CV 1 OR { 1022} (( segid "RN15" and resid 149 and name HD1 )) ( segid "RN14" and resid 635 and name HG1%) ASSI { 1025} (( segid "RN15" and resid 185 and name HA )) (( segid "RN14" and resid 662 and name HG )) 3.400 1.400 1.400 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.11428E-02 ppm1 4.521 ppm2 1.615 CV 1 OR { 1025} (( segid "RN15" and resid 185 and name HA )) (( segid "RN15" and resid 189 and name HB1 )) ASSI { 1029} (( segid "RN15" and resid 230 and name HB1 )) (( segid "RN15" and resid 231 and name HD2 )) 3.300 1.400 1.400 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.80241E-03 ppm1 1.895 ppm2 3.816 CV 1 OR { 1029} (( segid "RN15" and resid 204 and name HB1 )) (( segid "RN14" and resid 639 and name HA )) ASSI { 1032} (( segid "RN15" and resid 202 and name HB1 )) (( segid "RN15" and resid 205 and name HB1 )) 4.400 2.400 1.600 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.56230E-03 ppm1 2.863 ppm2 1.508 CV 1 OR { 1032} (( segid "RN15" and resid 191 and name HB1 )) ( segid "RN15" and resid 196 and name HB% ) OR { 1032} (( segid "RN15" and resid 191 and name HB1 )) (( segid "RN15" and resid 198 and name HB2 )) ASSI { 1033} (( segid "RN15" and resid 202 and name HB2 )) (( segid "RN15" and resid 205 and name HB1 )) 3.600 1.600 1.600 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.47656E-03 ppm1 2.457 ppm2 1.502 CV 1 OR { 1033} (( segid "RN15" and resid 202 and name HB2 )) (( segid "RN15" and resid 198 and name HB2 )) ASSI { 1036} (( segid "RN14" and resid 643 and name HD1 )) (( segid "RN15" and resid 164 and name HB1 )) 3.500 1.500 1.500 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.74963E-03 ppm1 3.930 ppm2 2.132 CV 1 OR { 1036} (( segid "RN14" and resid 643 and name HD1 )) (( segid "RN14" and resid 643 and name HB1 )) ASSI { 1037} (( segid "RN15" and resid 164 and name HG2 )) (( segid "RN14" and resid 643 and name HD1 )) 4.600 2.700 1.400 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.12307E-02 ppm1 2.622 ppm2 3.927 CV 1 OR { 1037} (( segid "RN15" and resid 164 and name HG2 )) (( segid "RN15" and resid 154 and name HA )) OR { 1037} (( segid "RN15" and resid 164 and name HG2 )) (( segid "RN15" and resid 162 and name HA )) OR { 1037} (( segid "RN15" and resid 163 and name HG1 )) (( segid "RN15" and resid 162 and name HA )) ASSI { 1038} (( segid "RN15" and resid 164 and name HG2 )) (( segid "RN15" and resid 161 and name HA )) 4.300 2.400 1.700 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.10128E-02 ppm1 2.632 ppm2 3.896 CV 1 OR { 1038} (( segid "RN15" and resid 164 and name HG2 )) (( segid "RN14" and resid 643 and name HD1 )) ASSI { 1047} (( segid "RN14" and resid 657 and name HG1 )) (( segid "RN14" and resid 654 and name HB2 )) 3.900 1.900 1.900 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.82286E-03 ppm1 1.421 ppm2 2.732 CV 1 OR { 1047} (( segid "RN15" and resid 156 and name HG11)) (( segid "RN14" and resid 647 and name HB1 )) OR { 1047} (( segid "RN15" and resid 156 and name HG12)) (( segid "RN14" and resid 647 and name HB1 )) OR { 1047} (( segid "RN15" and resid 156 and name HG12)) (( segid "RN15" and resid 155 and name HB1 )) ASSI { 1052} (( segid "RN15" and resid 172 and name HE2 )) ( segid "RN14" and resid 638 and name HD1%) 3.600 1.600 1.600 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.12620E-02 ppm1 2.805 ppm2 0.460 CV 1 OR { 1052} (( segid "RN15" and resid 223 and name HB1 )) ( segid "RN15" and resid 224 and name HD2%) OR { 1052} (( segid "RN15" and resid 223 and name HB1 )) ( segid "RN14" and resid 666 and name HG2%) ASSI { 1053} (( segid "RN15" and resid 172 and name HE2 )) ( segid "RN14" and resid 638 and name HD1%) 3.500 1.500 1.500 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.13198E-02 ppm1 2.801 ppm2 0.425 CV 1 OR { 1053} (( segid "RN15" and resid 223 and name HB1 )) ( segid "RN15" and resid 224 and name HD2%) ASSI { 1058} (( segid "RN15" and resid 211 and name HG1 )) ( segid "RN15" and resid 215 and name HG2%) 4.100 2.100 1.900 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.26805E-02 ppm1 2.099 ppm2 1.390 CV 1 OR { 1058} (( segid "RN15" and resid 211 and name HG2 )) ( segid "RN15" and resid 215 and name HG2%) OR { 1058} (( segid "RN15" and resid 211 and name HG2 )) (( segid "RN15" and resid 224 and name HB2 )) OR { 1058} (( segid "RN15" and resid 211 and name HG1 )) (( segid "RN15" and resid 224 and name HB2 )) ASSI { 1104} (( segid "RN15" and resid 140 and name HZ )) (( segid "RN15" and resid 144 and name HE2 )) 5.200 3.400 0.800 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.37825E-03 ppm1 7.363 ppm2 2.853 CV 1 OR { 1104} (( segid "RN15" and resid 140 and name HZ )) (( segid "RN15" and resid 145 and name HB2 )) OR { 1104} (( segid "RN15" and resid 140 and name HZ )) (( segid "RN15" and resid 191 and name HB1 )) ASSI { 1153} ( segid "RN15" and resid 145 and name HD% ) (( segid "RN15" and resid 146 and name HG2 )) 5.400 3.600 0.600 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.68491E-03 ppm1 7.216 ppm2 1.947 CV 1 OR { 1153} ( segid "RN15" and resid 145 and name HD% ) (( segid "RN15" and resid 146 and name HG1 )) OR { 1153} ( segid "RN15" and resid 145 and name HD% ) (( segid "RN15" and resid 146 and name HB2 )) OR { 1153} ( segid "RN15" and resid 145 and name HD% ) (( segid "RN14" and resid 636 and name HB1 )) ASSI { 1224} ( segid "RN15" and resid 152 and name HD1%) (( segid "RN14" and resid 644 and name HB1 )) 4.700 2.700 1.300 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.88700E-03 ppm1 0.692 ppm2 2.364 CV 1 OR { 1224} ( segid "RN15" and resid 152 and name HD1%) (( segid "RN15" and resid 168 and name HG1 )) OR { 1224} ( segid "RN15" and resid 152 and name HD1%) (( segid "RN14" and resid 647 and name HB2 )) OR { 1224} ( segid "RN15" and resid 152 and name HD1%) (( segid "RN15" and resid 168 and name HG2 )) ASSI { 1250} ( segid "RN15" and resid 154 and name HG1%) (( segid "RN15" and resid 161 and name HG1 )) 4.200 2.200 1.800 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.14970E-02 ppm1 0.354 ppm2 2.190 CV 1 OR { 1250} ( segid "RN15" and resid 154 and name HG1%) (( segid "RN15" and resid 164 and name HB2 )) OR { 1250} ( segid "RN15" and resid 154 and name HG1%) (( segid "RN15" and resid 156 and name HB )) ASSI { 1251} ( segid "RN15" and resid 154 and name HG1%) (( segid "RN14" and resid 643 and name HB1 )) 4.000 2.000 2.000 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.16081E-02 ppm1 0.350 ppm2 2.138 CV 1 OR { 1251} ( segid "RN15" and resid 154 and name HG1%) (( segid "RN15" and resid 164 and name HB2 )) OR { 1251} ( segid "RN15" and resid 154 and name HG1%) (( segid "RN15" and resid 164 and name HB1 )) ASSI { 1252} ( segid "RN15" and resid 154 and name HG1%) (( segid "RN15" and resid 155 and name HB1 )) 5.000 3.200 1.000 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.48473E-03 ppm1 0.349 ppm2 2.713 CV 1 OR { 1252} ( segid "RN15" and resid 154 and name HG1%) (( segid "RN14" and resid 647 and name HB1 )) OR { 1252} ( segid "RN15" and resid 154 and name HG1%) (( segid "RN15" and resid 153 and name HB1 )) ASSI { 1266} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN14" and resid 643 and name HB1 )) 2.300 0.700 0.700 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.40108E-02 ppm1 0.185 ppm2 2.140 CV 1 OR { 1266} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN15" and resid 164 and name HB2 )) OR { 1266} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN15" and resid 164 and name HB1 )) ASSI { 1267} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN14" and resid 643 and name HG2 )) 3.800 1.800 1.800 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.30394E-02 ppm1 0.185 ppm2 1.598 CV 1 OR { 1267} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN15" and resid 161 and name HB2 )) ASSI { 1269} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN15" and resid 161 and name HG1 )) 4.400 2.400 1.600 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.15615E-02 ppm1 0.181 ppm2 2.202 CV 1 OR { 1269} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN15" and resid 156 and name HB )) OR { 1269} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN15" and resid 165 and name HB )) ASSI { 1270} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN15" and resid 153 and name HB1 )) 4.700 2.800 1.300 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.75774E-03 ppm1 0.185 ppm2 2.715 CV 1 OR { 1270} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN14" and resid 647 and name HB1 )) OR { 1270} ( segid "RN15" and resid 154 and name HG2%) (( segid "RN15" and resid 155 and name HB1 )) ASSI { 1317} (( segid "RN15" and resid 160 and name HA )) (( segid "RN15" and resid 161 and name HG2 )) 5.100 3.200 0.900 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.85810E-03 ppm1 4.940 ppm2 1.439 CV 1 OR { 1317} (( segid "RN15" and resid 160 and name HA )) ( segid "RN15" and resid 162 and name HB% ) OR { 1317} (( segid "RN15" and resid 160 and name HA )) (( segid "RN15" and resid 156 and name HG12)) OR { 1317} (( segid "RN15" and resid 160 and name HA )) (( segid "RN15" and resid 156 and name HG11)) ASSI { 1319} (( segid "RN15" and resid 160 and name HA )) (( segid "RN15" and resid 156 and name HB )) 3.900 1.900 1.900 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.82977E-03 ppm1 4.944 ppm2 2.196 CV 1 OR { 1319} (( segid "RN15" and resid 160 and name HA )) (( segid "RN15" and resid 161 and name HG1 )) ASSI { 1333} (( segid "RN15" and resid 161 and name HA )) (( segid "RN14" and resid 643 and name HB1 )) 3.700 1.700 1.700 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.19173E-02 ppm1 3.889 ppm2 2.129 CV 1 OR { 1333} (( segid "RN15" and resid 161 and name HA )) (( segid "RN15" and resid 164 and name HB1 )) OR { 1333} (( segid "RN15" and resid 161 and name HA )) (( segid "RN15" and resid 163 and name HB2 )) ASSI { 1389} ( segid "RN15" and resid 165 and name HD1%) (( segid "RN15" and resid 165 and name HG11)) 2.200 0.600 0.600 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.89094E-02 ppm1 0.902 ppm2 1.968 CV 1 OR { 1389} ( segid "RN15" and resid 165 and name HD1%) (( segid "RN14" and resid 642 and name HB )) ASSI { 1414} (( segid "RN15" and resid 166 and name HB2 )) (( segid "RN15" and resid 163 and name HB2 )) 3.600 1.600 1.600 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.18336E-02 ppm1 3.985 ppm2 2.123 CV 1 OR { 1414} (( segid "RN15" and resid 167 and name HB1 )) (( segid "RN15" and resid 164 and name HB1 )) OR { 1414} (( segid "RN15" and resid 166 and name HB1 )) (( segid "RN15" and resid 163 and name HB2 )) OR { 1414} (( segid "RN15" and resid 167 and name HB2 )) (( segid "RN15" and resid 164 and name HB1 )) OR { 1414} (( segid "RN15" and resid 167 and name HB1 )) (( segid "RN15" and resid 163 and name HB2 )) OR { 1414} (( segid "RN15" and resid 166 and name HB2 )) (( segid "RN15" and resid 164 and name HB1 )) OR { 1414} (( segid "RN15" and resid 166 and name HB1 )) (( segid "RN15" and resid 164 and name HB1 )) OR { 1414} (( segid "RN15" and resid 166 and name HB1 )) (( segid "RN15" and resid 208 and name HB )) OR { 1414} (( segid "RN15" and resid 166 and name HB2 )) (( segid "RN15" and resid 208 and name HB )) OR { 1414} (( segid "RN15" and resid 166 and name HB2 )) (( segid "RN14" and resid 643 and name HB1 )) ASSI { 1491} (( segid "RN15" and resid 180 and name HB1 )) ( segid "RN15" and resid 212 and name HD1%) 4.000 2.000 2.000 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.63276E-03 ppm1 3.188 ppm2 0.693 CV 1 OR { 1491} (( segid "RN15" and resid 180 and name HB1 )) ( segid "RN15" and resid 208 and name HG1%) ASSI { 1496} (( segid "RN15" and resid 180 and name HB2 )) ( segid "RN15" and resid 212 and name HD1%) 4.700 2.800 1.300 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.87346E-03 ppm1 3.398 ppm2 0.693 CV 1 OR { 1496} (( segid "RN15" and resid 180 and name HB2 )) ( segid "RN15" and resid 208 and name HG1%) ASSI { 1504} ( segid "RN15" and resid 180 and name HD% ) ( segid "RN14" and resid 635 and name HG2%) 3.300 1.400 1.400 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.14925E-02 ppm1 6.983 ppm2 0.628 CV 1 OR { 1504} ( segid "RN15" and resid 180 and name HD% ) ( segid "RN14" and resid 635 and name HG1%) OR { 1504} ( segid "RN15" and resid 180 and name HD% ) ( segid "RN15" and resid 205 and name HD1%) OR { 1504} ( segid "RN15" and resid 180 and name HD% ) ( segid "RN15" and resid 169 and name HD2%) OR { 1504} ( segid "RN15" and resid 180 and name HD% ) ( segid "RN14" and resid 668 and name HD1%) ASSI { 1505} ( segid "RN15" and resid 180 and name HD% ) ( segid "RN15" and resid 181 and name HD1%) 4.600 2.600 1.400 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.10603E-02 ppm1 6.983 ppm2 0.929 CV 1 OR { 1505} ( segid "RN15" and resid 180 and name HD% ) ( segid "RN14" and resid 641 and name HG2%) OR { 1505} ( segid "RN15" and resid 180 and name HD% ) ( segid "RN15" and resid 213 and name HD1%) ASSI { 1512} ( segid "RN15" and resid 180 and name HD% ) (( segid "RN14" and resid 634 and name HB2 )) 3.800 1.800 1.800 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.55256E-03 ppm1 6.984 ppm2 1.866 CV 1 OR { 1512} ( segid "RN15" and resid 180 and name HD% ) (( segid "RN14" and resid 634 and name HB1 )) OR { 1512} ( segid "RN15" and resid 180 and name HD% ) (( segid "RN15" and resid 205 and name HB2 )) ASSI { 1513} ( segid "RN15" and resid 180 and name HD% ) (( segid "RN15" and resid 184 and name HB1 )) 4.600 2.600 1.400 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.51528E-03 ppm1 6.972 ppm2 2.515 CV 1 OR { 1513} ( segid "RN15" and resid 180 and name HD% ) (( segid "RN15" and resid 177 and name HG1 )) ASSI { 1560} (( segid "RN15" and resid 184 and name HB1 )) (( segid "RN15" and resid 181 and name HA )) 2.800 1.000 1.000 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.10579E-02 ppm1 2.509 ppm2 3.850 CV 1 OR { 1560} (( segid "RN15" and resid 184 and name HB1 )) (( segid "RN15" and resid 182 and name HA )) ASSI { 1568} ( segid "RN15" and resid 184 and name HD% ) ( segid "RN14" and resid 662 and name HD2%) 3.500 1.500 1.500 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.76568E-03 ppm1 7.026 ppm2 0.796 CV 1 OR { 1568} ( segid "RN15" and resid 184 and name HD% ) ( segid "RN14" and resid 639 and name HD1%) ASSI { 1575} (( segid "RN15" and resid 184 and name HZ )) ( segid "RN15" and resid 205 and name HD2%) 2.800 1.000 1.000 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.22461E-02 ppm1 6.995 ppm2 0.623 CV 1 OR { 1575} (( segid "RN15" and resid 184 and name HZ )) ( segid "RN15" and resid 205 and name HD1%) OR { 1575} (( segid "RN15" and resid 184 and name HZ )) ( segid "RN14" and resid 635 and name HG1%) OR { 1575} (( segid "RN15" and resid 184 and name HZ )) ( segid "RN14" and resid 635 and name HG2%) ASSI { 1627} (( segid "RN15" and resid 187 and name HH2 )) ( segid "RN15" and resid 205 and name HD2%) 5.100 3.200 0.900 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.34726E-03 ppm1 6.933 ppm2 0.614 CV 1 OR { 1627} (( segid "RN15" and resid 187 and name HH2 )) ( segid "RN15" and resid 188 and name HG2%) OR { 1627} (( segid "RN15" and resid 187 and name HH2 )) ( segid "RN14" and resid 635 and name HG1%) OR { 1627} (( segid "RN15" and resid 187 and name HH2 )) ( segid "RN15" and resid 148 and name HD2%) ASSI { 1628} (( segid "RN15" and resid 187 and name HH2 )) (( segid "RN15" and resid 198 and name HB2 )) 3.800 1.800 1.800 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.50015E-03 ppm1 6.927 ppm2 1.500 CV 1 OR { 1628} (( segid "RN15" and resid 187 and name HH2 )) ( segid "RN15" and resid 196 and name HB% ) OR { 1628} (( segid "RN15" and resid 187 and name HH2 )) (( segid "RN15" and resid 205 and name HB1 )) ASSI { 1637} (( segid "RN15" and resid 187 and name HZ2 )) (( segid "RN15" and resid 188 and name HB )) 5.600 4.000 0.400 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.38647E-03 ppm1 7.533 ppm2 3.804 CV 1 OR { 1637} (( segid "RN15" and resid 187 and name HZ2 )) (( segid "RN15" and resid 198 and name HA )) ASSI { 1648} (( segid "RN15" and resid 187 and name HZ3 )) ( segid "RN15" and resid 188 and name HG2%) 4.100 2.100 1.900 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.95646E-03 ppm1 6.792 ppm2 0.610 CV 1 OR { 1648} (( segid "RN15" and resid 187 and name HZ3 )) ( segid "RN15" and resid 205 and name HD2%) ASSI { 1747} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 145 and name HB2 )) 3.700 1.700 1.700 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.11103E-02 ppm1 0.251 ppm2 2.859 CV 1 OR { 1747} ( segid "RN15" and resid 198 and name HD1%) (( segid "RN15" and resid 202 and name HB1 )) ASSI { 1755} ( segid "RN15" and resid 198 and name HD2%) (( segid "RN15" and resid 198 and name HB2 )) 2.400 0.700 0.700 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.39104E-02 ppm1 0.691 ppm2 1.497 CV 1 OR { 1755} ( segid "RN15" and resid 198 and name HD2%) (( segid "RN15" and resid 205 and name HB1 )) OR { 1755} ( segid "RN15" and resid 198 and name HD2%) (( segid "RN14" and resid 636 and name HG )) ASSI { 1789} (( segid "RN15" and resid 202 and name HB1 )) (( segid "RN15" and resid 203 and name HD1 )) 4.400 2.500 1.600 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.83645E-03 ppm1 2.867 ppm2 3.986 CV 1 OR { 1789} (( segid "RN15" and resid 202 and name HB1 )) (( segid "RN15" and resid 199 and name HA )) ASSI { 1793} (( segid "RN15" and resid 202 and name HB2 )) (( segid "RN15" and resid 199 and name HA )) 4.100 2.100 1.900 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.77230E-03 ppm1 2.454 ppm2 3.989 CV 1 OR { 1793} (( segid "RN15" and resid 202 and name HB2 )) (( segid "RN15" and resid 203 and name HD1 )) ASSI { 1810} (( segid "RN15" and resid 203 and name HG1 )) (( segid "RN15" and resid 203 and name HD2 )) 3.200 1.300 1.300 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.20750E-02 ppm1 2.221 ppm2 3.484 CV 1 OR { 1810} (( segid "RN14" and resid 645 and name HB2 )) (( segid "RN15" and resid 203 and name HD2 )) OR { 1810} (( segid "RN14" and resid 645 and name HB2 )) (( segid "RN14" and resid 645 and name HD2 )) ASSI { 1814} (( segid "RN14" and resid 645 and name HB1 )) (( segid "RN15" and resid 203 and name HD2 )) 2.500 0.800 0.800 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.19169E-02 ppm1 2.286 ppm2 3.488 CV 1 OR { 1814} (( segid "RN15" and resid 203 and name HG2 )) (( segid "RN15" and resid 203 and name HD2 )) OR { 1814} (( segid "RN14" and resid 645 and name HB1 )) (( segid "RN14" and resid 645 and name HD2 )) ASSI { 1818} (( segid "RN15" and resid 204 and name HA )) (( segid "RN14" and resid 639 and name HB2 )) 4.800 2.900 1.200 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.16287E-02 ppm1 3.225 ppm2 1.386 CV 1 OR { 1818} (( segid "RN15" and resid 204 and name HA )) (( segid "RN14" and resid 638 and name HG )) ASSI { 1838} (( segid "RN15" and resid 204 and name HG2 )) ( segid "RN14" and resid 639 and name HD2%) 2.900 1.000 1.000 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.31524E-02 ppm1 1.973 ppm2 0.866 CV 1 OR { 1838} (( segid "RN14" and resid 669 and name HB2 )) ( segid "RN15" and resid 178 and name HD2%) OR { 1838} (( segid "RN15" and resid 174 and name HB1 )) ( segid "RN15" and resid 178 and name HD1%) OR { 1838} (( segid "RN14" and resid 669 and name HB2 )) ( segid "RN15" and resid 178 and name HD1%) OR { 1838} (( segid "RN15" and resid 174 and name HB1 )) ( segid "RN15" and resid 178 and name HD2%) OR { 1838} (( segid "RN15" and resid 231 and name HB2 )) ( segid "RN15" and resid 225 and name HD1%) OR { 1838} (( segid "RN15" and resid 204 and name HG2 )) ( segid "RN14" and resid 642 and name HG2%) ASSI { 1847} (( segid "RN15" and resid 205 and name HG )) (( segid "RN15" and resid 184 and name HZ )) 3.400 1.500 1.500 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.63019E-03 ppm1 1.442 ppm2 6.997 CV 1 OR { 1847} (( segid "RN15" and resid 227 and name HG )) ( segid "RN14" and resid 661 and name HD% ) ASSI { 1861} ( segid "RN15" and resid 207 and name HD% ) (( segid "RN15" and resid 204 and name HA )) 3.700 1.700 1.700 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.13248E-02 ppm1 7.132 ppm2 3.206 CV 1 OR { 1861} ( segid "RN15" and resid 207 and name HD% ) (( segid "RN14" and resid 648 and name HB1 )) ASSI { 1870} (( segid "RN15" and resid 207 and name HZ )) ( segid "RN15" and resid 225 and name HG2%) 4.600 2.600 1.400 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.33944E-03 ppm1 7.540 ppm2 0.910 CV 1 OR { 1870} (( segid "RN15" and resid 207 and name HZ )) ( segid "RN15" and resid 165 and name HG2%) OR { 1870} (( segid "RN15" and resid 207 and name HZ )) ( segid "RN15" and resid 225 and name HD1%) ASSI { 1873} (( segid "RN15" and resid 208 and name HA )) (( segid "RN15" and resid 205 and name HA )) 4.700 2.800 1.300 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.89368E-03 ppm1 3.498 ppm2 4.049 CV 1 OR { 1873} (( segid "RN15" and resid 208 and name HA )) (( segid "RN15" and resid 211 and name HA )) OR { 1873} (( segid "RN15" and resid 208 and name HA )) (( segid "RN15" and resid 212 and name HA )) ASSI { 1879} ( segid "RN15" and resid 208 and name HG1%) (( segid "RN15" and resid 205 and name HA )) 2.700 0.900 0.900 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.37495E-02 ppm1 0.710 ppm2 4.058 CV 1 OR { 1879} ( segid "RN15" and resid 208 and name HG1%) (( segid "RN15" and resid 212 and name HA )) ASSI { 1880} ( segid "RN15" and resid 208 and name HG1%) (( segid "RN15" and resid 212 and name HG )) 2.900 1.100 1.100 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.39645E-02 ppm1 0.703 ppm2 1.928 CV 1 OR { 1880} ( segid "RN15" and resid 208 and name HG1%) (( segid "RN15" and resid 169 and name HB1 )) ASSI { 1881} ( segid "RN15" and resid 208 and name HG1%) (( segid "RN14" and resid 638 and name HB2 )) 4.400 2.400 1.600 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.19046E-02 ppm1 0.712 ppm2 1.528 CV 1 OR { 1881} ( segid "RN15" and resid 208 and name HG1%) (( segid "RN15" and resid 213 and name HB2 )) ASSI { 1891} (( segid "RN15" and resid 209 and name HA )) ( segid "RN15" and resid 212 and name HD1%) 2.500 0.800 0.800 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.30848E-02 ppm1 3.658 ppm2 0.692 CV 1 OR { 1891} (( segid "RN15" and resid 209 and name HA )) ( segid "RN15" and resid 208 and name HG1%) ASSI { 1894} (( segid "RN15" and resid 209 and name HA )) ( segid "RN15" and resid 181 and name HD1%) 4.400 2.400 1.600 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.96685E-03 ppm1 3.656 ppm2 0.940 CV 1 OR { 1894} (( segid "RN15" and resid 209 and name HA )) ( segid "RN15" and resid 213 and name HD1%) ASSI { 1895} (( segid "RN15" and resid 209 and name HA )) ( segid "RN15" and resid 169 and name HD1%) 4.800 2.900 1.200 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.45844E-03 ppm1 3.659 ppm2 0.791 CV 1 OR { 1895} (( segid "RN15" and resid 209 and name HA )) ( segid "RN14" and resid 662 and name HD2%) OR { 1895} (( segid "RN15" and resid 209 and name HA )) ( segid "RN15" and resid 224 and name HD1%) ASSI { 1896} (( segid "RN15" and resid 209 and name HA )) ( segid "RN14" and resid 662 and name HD1%) 5.200 3.400 0.800 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.45320E-03 ppm1 3.654 ppm2 0.832 CV 1 OR { 1896} (( segid "RN15" and resid 209 and name HA )) ( segid "RN15" and resid 178 and name HD2%) ASSI { 1902} (( segid "RN15" and resid 209 and name HB )) ( segid "RN15" and resid 210 and name HB% ) 4.800 2.900 1.200 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.67058E-03 ppm1 4.359 ppm2 1.363 CV 1 OR { 1902} (( segid "RN15" and resid 209 and name HB )) (( segid "RN14" and resid 658 and name HB2 )) OR { 1902} (( segid "RN15" and resid 209 and name HB )) (( segid "RN15" and resid 181 and name HB2 )) OR { 1902} (( segid "RN15" and resid 209 and name HB )) (( segid "RN14" and resid 638 and name HG )) ASSI { 1903} (( segid "RN15" and resid 209 and name HB )) ( segid "RN15" and resid 213 and name HD1%) 3.800 1.800 1.800 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.13614E-02 ppm1 4.354 ppm2 0.938 CV 1 OR { 1903} (( segid "RN15" and resid 209 and name HB )) ( segid "RN14" and resid 658 and name HD1%) OR { 1903} (( segid "RN15" and resid 209 and name HB )) ( segid "RN15" and resid 181 and name HD1%) ASSI { 1904} (( segid "RN15" and resid 209 and name HB )) (( segid "RN15" and resid 206 and name HA )) 2.900 1.100 1.100 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.33139E-02 ppm1 4.360 ppm2 4.025 CV 1 OR { 1904} (( segid "RN15" and resid 209 and name HB )) (( segid "RN15" and resid 213 and name HA )) OR { 1904} (( segid "RN15" and resid 209 and name HB )) (( segid "RN15" and resid 211 and name HA )) OR { 1904} (( segid "RN15" and resid 209 and name HB )) (( segid "RN15" and resid 212 and name HA )) OR { 1904} (( segid "RN15" and resid 209 and name HB )) (( segid "RN15" and resid 224 and name HA )) ASSI { 1907} ( segid "RN15" and resid 209 and name HG2%) (( segid "RN15" and resid 213 and name HA )) 4.400 2.400 1.600 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.16790E-02 ppm1 1.279 ppm2 4.027 CV 1 OR { 1907} ( segid "RN15" and resid 209 and name HG2%) (( segid "RN15" and resid 206 and name HA )) OR { 1907} ( segid "RN15" and resid 209 and name HG2%) (( segid "RN15" and resid 212 and name HA )) OR { 1907} ( segid "RN15" and resid 209 and name HG2%) (( segid "RN14" and resid 669 and name HD2 )) OR { 1907} ( segid "RN15" and resid 209 and name HG2%) (( segid "RN15" and resid 224 and name HA )) OR { 1907} ( segid "RN15" and resid 209 and name HG2%) (( segid "RN14" and resid 666 and name HA )) ASSI { 1943} (( segid "RN15" and resid 219 and name HA )) (( segid "RN15" and resid 220 and name HG1 )) 4.400 2.400 1.600 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.69982E-03 ppm1 4.947 ppm2 1.519 CV 1 OR { 1943} (( segid "RN15" and resid 219 and name HA )) (( segid "RN15" and resid 220 and name HG2 )) OR { 1943} (( segid "RN15" and resid 219 and name HA )) (( segid "RN15" and resid 213 and name HB2 )) ASSI { 1958} (( segid "RN15" and resid 220 and name HA )) (( segid "RN15" and resid 220 and name HB1 )) 2.300 0.700 0.700 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.93212E-02 ppm1 4.723 ppm2 1.753 CV 1 OR { 1958} (( segid "RN15" and resid 220 and name HA )) (( segid "RN15" and resid 220 and name HD2 )) OR { 1958} (( segid "RN15" and resid 220 and name HA )) (( segid "RN15" and resid 220 and name HD1 )) OR { 1958} (( segid "RN15" and resid 220 and name HA )) (( segid "RN15" and resid 214 and name HG )) ASSI { 2009} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN15" and resid 227 and name HB2 )) 2.300 0.700 0.700 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.50318E-02 ppm1 0.383 ppm2 1.841 CV 1 OR { 2009} ( segid "RN15" and resid 227 and name HD1%) (( segid "RN15" and resid 224 and name HB1 )) ASSI { 2117} ( segid "RN15" and resid 188 and name HG2%) (( segid "RN15" and resid 184 and name HZ )) 3.400 1.400 1.400 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.34668E-02 ppm1 0.622 ppm2 6.996 CV 1 OR { 2117} ( segid "RN14" and resid 635 and name HG1%) ( segid "RN15" and resid 180 and name HD% ) OR { 2117} ( segid "RN14" and resid 635 and name HG1%) (( segid "RN15" and resid 184 and name HZ )) OR { 2117} ( segid "RN15" and resid 169 and name HD2%) ( segid "RN15" and resid 180 and name HD% ) ASSI { 2180} (( segid "RN14" and resid 642 and name HA )) (( segid "RN14" and resid 643 and name HG2 )) 5.400 3.600 0.600 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.54804E-03 ppm1 4.972 ppm2 1.600 CV 1 OR { 2180} (( segid "RN15" and resid 160 and name HA )) (( segid "RN15" and resid 161 and name HB2 )) OR { 2180} (( segid "RN14" and resid 642 and name HA )) (( segid "RN15" and resid 161 and name HB2 )) ASSI { 2181} (( segid "RN14" and resid 642 and name HA )) (( segid "RN14" and resid 643 and name HB2 )) 5.000 3.100 1.000 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.69382E-03 ppm1 4.997 ppm2 2.080 CV 1 OR { 2181} (( segid "RN14" and resid 642 and name HA )) (( segid "RN15" and resid 208 and name HB )) ASSI { 2200} ( segid "RN14" and resid 642 and name HG2%) (( segid "RN14" and resid 642 and name HB )) 2.300 0.600 0.600 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.73798E-02 ppm1 0.875 ppm2 1.974 CV 1 OR { 2200} ( segid "RN14" and resid 642 and name HG2%) (( segid "RN15" and resid 165 and name HG11)) OR { 2200} ( segid "RN14" and resid 642 and name HG2%) (( segid "RN15" and resid 204 and name HG2 )) ASSI { 2202} ( segid "RN14" and resid 642 and name HG2%) (( segid "RN14" and resid 638 and name HA )) 2.900 2.900 3.100 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.85010E-03 ppm1 0.872 ppm2 4.130 CV 1 OR { 2202} ( segid "RN14" and resid 642 and name HG2%) (( segid "RN15" and resid 166 and name HA )) OR { 2202} ( segid "RN14" and resid 642 and name HG2%) (( segid "RN15" and resid 207 and name HA )) ASSI { 2215} (( segid "RN14" and resid 643 and name HA )) (( segid "RN14" and resid 643 and name HG1 )) 3.500 1.500 1.500 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.99353E-03 ppm1 4.848 ppm2 1.996 CV 1 OR { 2215} (( segid "RN14" and resid 643 and name HA )) (( segid "RN14" and resid 642 and name HB )) ASSI { 2233} (( segid "RN14" and resid 643 and name HD1 )) (( segid "RN14" and resid 642 and name HB )) 3.600 1.600 1.600 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.14556E-02 ppm1 3.933 ppm2 1.972 CV 1 OR { 2233} (( segid "RN14" and resid 643 and name HD1 )) (( segid "RN15" and resid 165 and name HG11)) ASSI { 2240} (( segid "RN14" and resid 643 and name HD2 )) (( segid "RN14" and resid 642 and name HB )) 2.300 0.700 0.700 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.26637E-02 ppm1 3.406 ppm2 1.978 CV 1 OR { 2240} (( segid "RN14" and resid 643 and name HD2 )) (( segid "RN15" and resid 165 and name HG11)) ASSI { 2307} ( segid "RN14" and resid 647 and name HD% ) (( segid "RN15" and resid 161 and name HG2 )) 3.800 1.800 1.800 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.43600E-03 ppm1 7.470 ppm2 1.437 CV 1 OR { 2307} ( segid "RN14" and resid 647 and name HD% ) (( segid "RN15" and resid 156 and name HG12)) ASSI { 2339} ( segid "RN14" and resid 648 and name HD% ) (( segid "RN15" and resid 203 and name HB2 )) 3.700 1.700 1.700 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.73061E-03 ppm1 7.185 ppm2 1.966 CV 1 OR { 2339} ( segid "RN14" and resid 648 and name HD% ) (( segid "RN15" and resid 165 and name HG11)) OR { 2339} ( segid "RN14" and resid 648 and name HD% ) (( segid "RN14" and resid 642 and name HB )) OR { 2339} ( segid "RN15" and resid 145 and name HD% ) (( segid "RN15" and resid 149 and name HG1 )) ASSI { 2353} (( segid "RN14" and resid 648 and name HZ )) (( segid "RN14" and resid 643 and name HD1 )) 3.500 1.500 1.500 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.30316E-03 ppm1 6.671 ppm2 3.951 CV 1 OR { 2353} (( segid "RN14" and resid 648 and name HZ )) (( segid "RN15" and resid 162 and name HA )) OR { 2353} (( segid "RN14" and resid 648 and name HZ )) (( segid "RN15" and resid 161 and name HD1 )) ASSI { 2356} (( segid "RN14" and resid 648 and name HZ )) (( segid "RN14" and resid 642 and name HB )) 3.800 1.800 1.800 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.52191E-03 ppm1 6.691 ppm2 1.976 CV 1 OR { 2356} (( segid "RN14" and resid 648 and name HZ )) (( segid "RN15" and resid 165 and name HG11)) ASSI { 2397} ( segid "RN14" and resid 655 and name HB% ) (( segid "RN15" and resid 200 and name HB1 )) 3.800 1.800 1.800 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.26654E-02 ppm1 1.582 ppm2 2.148 CV 1 OR { 2397} ( segid "RN14" and resid 655 and name HB% ) (( segid "RN14" and resid 659 and name HB )) OR { 2397} ( segid "RN14" and resid 655 and name HB% ) (( segid "RN14" and resid 656 and name HB2 )) ASSI { 2398} ( segid "RN14" and resid 655 and name HB% ) (( segid "RN15" and resid 196 and name HA )) 2.300 0.600 0.600 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.67640E-02 ppm1 1.586 ppm2 3.957 CV 1 OR { 2398} ( segid "RN14" and resid 655 and name HB% ) (( segid "RN15" and resid 199 and name HA )) ASSI { 2451} ( segid "RN14" and resid 661 and name HD% ) ( segid "RN14" and resid 658 and name HD1%) 2.700 0.900 0.900 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.14496E-02 ppm1 7.012 ppm2 0.934 CV 1 OR { 2451} ( segid "RN14" and resid 661 and name HD% ) ( segid "RN15" and resid 213 and name HD1%) ASSI { 2463} (( segid "RN14" and resid 661 and name HZ )) ( segid "RN15" and resid 213 and name HD1%) 4.800 2.900 1.200 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.68794E-03 ppm1 7.118 ppm2 0.937 CV 1 OR { 2463} (( segid "RN14" and resid 661 and name HZ )) ( segid "RN14" and resid 658 and name HD1%) ASSI { 3} ( segid "RN15" and resid 198 and name HD1%) ( segid "RN15" and resid 141 and name HD2%) 3.000 1.100 1.100 peak 3 spectrum 1 weight 0.10000E+01 volume 0.12145E-02 ppm1 0.257 ppm2 0.972 CV 1 OR { 3} ( segid "RN15" and resid 198 and name HD1%) ( segid "RN15" and resid 141 and name HD1%) OR { 3} ( segid "RN15" and resid 198 and name HD1%) ( segid "RN15" and resid 201 and name HD2%) ASSI { 7} ( segid "RN15" and resid 208 and name HG2%) ( segid "RN15" and resid 169 and name HD2%) 2.000 0.500 0.500 peak 7 spectrum 1 weight 0.10000E+01 volume 0.51997E-02 ppm1 1.028 ppm2 0.610 CV 1 OR { 7} ( segid "RN15" and resid 208 and name HG2%) ( segid "RN15" and resid 205 and name HD2%) ASSI { 10} ( segid "RN14" and resid 658 and name HD2%) ( segid "RN14" and resid 658 and name HD1%) 2.100 0.500 0.500 peak 10 spectrum 1 weight 0.10000E+01 volume 0.14496E-01 ppm1 1.050 ppm2 0.932 CV 1 OR { 10} ( segid "RN14" and resid 658 and name HD2%) ( segid "RN15" and resid 213 and name HD1%) ASSI { 11} ( segid "RN14" and resid 658 and name HD2%) ( segid "RN14" and resid 662 and name HD1%) 3.600 1.600 1.600 peak 11 spectrum 1 weight 0.10000E+01 volume 0.25747E-02 ppm1 1.056 ppm2 0.830 CV 1 OR { 11} ( segid "RN14" and resid 658 and name HD2%) ( segid "RN15" and resid 213 and name HD2%) ASSI { 14} ( segid "RN15" and resid 165 and name HD1%) ( segid "RN15" and resid 152 and name HD1%) 4.500 2.500 1.500 peak 14 spectrum 1 weight 0.10000E+01 volume 0.17837E-02 ppm1 0.887 ppm2 0.654 CV 1 OR { 14} ( segid "RN15" and resid 165 and name HD1%) ( segid "RN14" and resid 653 and name HD1%) OR { 14} ( segid "RN15" and resid 165 and name HD1%) ( segid "RN15" and resid 205 and name HD1%) ASSI { 16} ( segid "RN15" and resid 148 and name HD1%) ( segid "RN15" and resid 141 and name HD1%) 2.300 0.700 0.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.52415E-02 ppm1 0.732 ppm2 0.966 CV 1 OR { 16} ( segid "RN15" and resid 148 and name HD1%) ( segid "RN15" and resid 141 and name HD2%) OR { 16} ( segid "RN15" and resid 148 and name HD1%) ( segid "RN15" and resid 201 and name HD2%) ASSI { 26} ( segid "RN15" and resid 213 and name HD1%) ( segid "RN15" and resid 224 and name HD2%) 2.700 0.900 0.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.44336E-02 ppm1 0.934 ppm2 0.462 CV 1 OR { 26} ( segid "RN15" and resid 213 and name HD1%) ( segid "RN14" and resid 666 and name HG2%) ASSI { 27} ( segid "RN15" and resid 181 and name HD1%) ( segid "RN14" and resid 668 and name HD1%) 2.600 0.800 0.800 peak 27 spectrum 1 weight 0.10000E+01 volume 0.46666E-02 ppm1 0.928 ppm2 0.627 CV 1 OR { 27} ( segid "RN15" and resid 213 and name HD1%) ( segid "RN14" and resid 668 and name HD1%) OR { 27} ( segid "RN15" and resid 181 and name HD1%) ( segid "RN15" and resid 169 and name HD2%) OR { 27} ( segid "RN15" and resid 181 and name HD1%) ( segid "RN14" and resid 635 and name HG2%) ASSI { 28} ( segid "RN15" and resid 181 and name HD1%) ( segid "RN15" and resid 212 and name HD1%) 3.300 1.400 1.400 peak 28 spectrum 1 weight 0.10000E+01 volume 0.36798E-02 ppm1 0.928 ppm2 0.698 CV 1 OR { 28} ( segid "RN15" and resid 213 and name HD1%) ( segid "RN15" and resid 214 and name HD2%) OR { 28} ( segid "RN15" and resid 181 and name HD1%) ( segid "RN15" and resid 208 and name HG1%) ASSI { 30} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN15" and resid 213 and name HD2%) 2.600 0.800 0.800 peak 30 spectrum 1 weight 0.10000E+01 volume 0.92504E-02 ppm1 1.104 ppm2 0.858 CV 1 OR { 30} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN14" and resid 662 and name HD1%) OR { 30} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN14" and resid 639 and name HD2%) ASSI { 31} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN14" and resid 668 and name HD1%) 3.400 1.400 1.400 peak 31 spectrum 1 weight 0.10000E+01 volume 0.30037E-02 ppm1 1.104 ppm2 0.635 CV 1 OR { 31} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN15" and resid 205 and name HD1%) OR { 31} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN15" and resid 169 and name HD2%) OR { 31} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN14" and resid 635 and name HG2%) OR { 31} ( segid "RN15" and resid 181 and name HD2%) ( segid "RN14" and resid 635 and name HG1%) ASSI { 34} ( segid "RN15" and resid 199 and name HD1%) ( segid "RN15" and resid 198 and name HD2%) 4.300 2.300 1.700 peak 34 spectrum 1 weight 0.10000E+01 volume 0.16576E-02 ppm1 1.000 ppm2 0.660 CV 1 OR { 34} ( segid "RN15" and resid 199 and name HD1%) ( segid "RN15" and resid 205 and name HD1%) OR { 34} ( segid "RN15" and resid 199 and name HD1%) ( segid "RN14" and resid 653 and name HD1%) ASSI { 35} ( segid "RN15" and resid 199 and name HD2%) ( segid "RN15" and resid 198 and name HD2%) 3.300 1.400 1.400 peak 35 spectrum 1 weight 0.10000E+01 volume 0.43493E-02 ppm1 0.913 ppm2 0.664 CV 1 OR { 35} ( segid "RN15" and resid 199 and name HD2%) ( segid "RN15" and resid 205 and name HD1%) ASSI { 36} ( segid "RN15" and resid 199 and name HD2%) ( segid "RN15" and resid 205 and name HD2%) 2.500 0.800 0.800 peak 36 spectrum 1 weight 0.10000E+01 volume 0.46591E-02 ppm1 0.913 ppm2 0.618 CV 1 OR { 36} ( segid "RN15" and resid 199 and name HD2%) ( segid "RN14" and resid 635 and name HG1%) ASSI { 37} ( segid "RN15" and resid 205 and name HD1%) ( segid "RN15" and resid 208 and name HG2%) 3.900 1.900 1.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.13592E-02 ppm1 0.648 ppm2 1.014 CV 1 OR { 37} ( segid "RN15" and resid 205 and name HD1%) ( segid "RN15" and resid 199 and name HD1%) ASSI { 39} ( segid "RN15" and resid 205 and name HD2%) ( segid "RN15" and resid 198 and name HD1%) 3.800 1.800 1.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.15637E-02 ppm1 0.623 ppm2 0.279 CV 1 OR { 39} ( segid "RN15" and resid 205 and name HD2%) ( segid "RN14" and resid 638 and name HD2%) ASSI { 42} ( segid "RN15" and resid 205 and name HD2%) ( segid "RN15" and resid 199 and name HD1%) 3.500 1.500 1.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.14462E-02 ppm1 0.623 ppm2 1.006 CV 1 OR { 42} ( segid "RN15" and resid 205 and name HD2%) ( segid "RN15" and resid 208 and name HG2%) ASSI { 54} ( segid "RN15" and resid 221 and name HG1%) ( segid "RN15" and resid 224 and name HD1%) 3.200 1.300 1.300 peak 54 spectrum 1 weight 0.10000E+01 volume 0.39973E-02 ppm1 1.010 ppm2 0.776 CV 1 OR { 54} ( segid "RN15" and resid 221 and name HG1%) ( segid "RN15" and resid 214 and name HD1%) ASSI { 56} ( segid "RN15" and resid 221 and name HG2%) ( segid "RN15" and resid 214 and name HD1%) 2.600 0.800 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.45457E-02 ppm1 1.080 ppm2 0.775 CV 1 OR { 56} ( segid "RN15" and resid 221 and name HG2%) ( segid "RN15" and resid 224 and name HD1%) ASSI { 65} ( segid "RN14" and resid 631 and name HD1%) ( segid "RN15" and resid 148 and name HD2%) 2.300 0.600 0.600 peak 65 spectrum 1 weight 0.10000E+01 volume 0.61226E-02 ppm1 0.163 ppm2 0.611 CV 1 OR { 65} ( segid "RN14" and resid 631 and name HD1%) ( segid "RN14" and resid 635 and name HG1%) OR { 65} ( segid "RN14" and resid 631 and name HD1%) ( segid "RN15" and resid 205 and name HD2%) ASSI { 66} ( segid "RN14" and resid 631 and name HD1%) ( segid "RN14" and resid 639 and name HD1%) 2.900 1.100 1.100 peak 66 spectrum 1 weight 0.10000E+01 volume 0.13978E-02 ppm1 0.165 ppm2 0.834 CV 1 OR { 66} ( segid "RN14" and resid 631 and name HD1%) ( segid "RN14" and resid 639 and name HD2%) OR { 66} ( segid "RN14" and resid 631 and name HD1%) ( segid "RN14" and resid 636 and name HD1%) ASSI { 67} ( segid "RN14" and resid 631 and name HD2%) ( segid "RN15" and resid 198 and name HD2%) 2.500 0.800 0.800 peak 67 spectrum 1 weight 0.10000E+01 volume 0.37592E-02 ppm1 -0.065 ppm2 0.705 CV 1 OR { 67} ( segid "RN14" and resid 631 and name HD2%) ( segid "RN14" and resid 636 and name HD2%) ASSI { 73} ( segid "RN14" and resid 635 and name HG1%) ( segid "RN15" and resid 141 and name HD2%) 2.700 2.700 3.300 peak 73 spectrum 1 weight 0.10000E+01 volume 0.13432E-02 ppm1 0.613 ppm2 0.955 CV 1 OR { 73} ( segid "RN14" and resid 635 and name HG1%) ( segid "RN15" and resid 141 and name HD1%) OR { 73} ( segid "RN14" and resid 635 and name HG1%) ( segid "RN15" and resid 181 and name HD1%) OR { 73} ( segid "RN14" and resid 635 and name HG1%) ( segid "RN15" and resid 201 and name HD2%) OR { 73} ( segid "RN14" and resid 635 and name HG1%) ( segid "RN14" and resid 658 and name HD1%) ASSI { 74} ( segid "RN14" and resid 636 and name HD1%) ( segid "RN15" and resid 148 and name HD2%) 4.100 2.100 1.900 peak 74 spectrum 1 weight 0.10000E+01 volume 0.30808E-02 ppm1 0.848 ppm2 0.613 CV 1 OR { 74} ( segid "RN14" and resid 636 and name HD1%) ( segid "RN14" and resid 635 and name HG1%) OR { 74} ( segid "RN15" and resid 178 and name HD1%) ( segid "RN14" and resid 668 and name HD1%) ASSI { 77} ( segid "RN14" and resid 638 and name HD1%) ( segid "RN14" and resid 641 and name HG1%) 3.900 1.900 1.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.27115E-02 ppm1 0.431 ppm2 0.853 CV 1 OR { 77} ( segid "RN14" and resid 638 and name HD1%) ( segid "RN14" and resid 639 and name HD2%) ASSI { 78} ( segid "RN14" and resid 638 and name HD1%) ( segid "RN15" and resid 212 and name HD2%) 2.500 2.500 3.500 peak 78 spectrum 1 weight 0.10000E+01 volume 0.26017E-02 ppm1 0.432 ppm2 0.744 CV 1 OR { 78} ( segid "RN14" and resid 638 and name HD1%) ( segid "RN14" and resid 636 and name HD2%) ASSI { 83} ( segid "RN14" and resid 638 and name HD2%) ( segid "RN14" and resid 641 and name HG2%) 2.600 2.600 3.400 peak 83 spectrum 1 weight 0.10000E+01 volume 0.18188E-02 ppm1 0.289 ppm2 0.894 CV 1 OR { 83} ( segid "RN14" and resid 638 and name HD2%) ( segid "RN15" and resid 199 and name HD2%) ASSI { 85} ( segid "RN14" and resid 639 and name HD1%) ( segid "RN15" and resid 148 and name HD2%) 2.200 0.600 0.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.81434E-02 ppm1 0.806 ppm2 0.618 CV 1 OR { 85} ( segid "RN14" and resid 639 and name HD1%) ( segid "RN14" and resid 635 and name HG1%) OR { 85} ( segid "RN14" and resid 639 and name HD1%) ( segid "RN15" and resid 205 and name HD2%) ASSI { 90} ( segid "RN14" and resid 642 and name HD1%) ( segid "RN14" and resid 639 and name HD2%) 3.100 1.200 1.200 peak 90 spectrum 1 weight 0.10000E+01 volume 0.54590E-02 ppm1 0.529 ppm2 0.861 CV 1 OR { 90} ( segid "RN14" and resid 642 and name HD1%) (( segid "RN15" and resid 165 and name HG12)) OR { 90} ( segid "RN14" and resid 642 and name HD1%) ( segid "RN15" and resid 165 and name HD1%) OR { 90} ( segid "RN14" and resid 642 and name HD1%) (( segid "RN15" and resid 165 and name HG11)) ASSI { 91} ( segid "RN14" and resid 642 and name HD1%) ( segid "RN15" and resid 212 and name HD2%) 2.500 2.500 3.500 peak 91 spectrum 1 weight 0.10000E+01 volume 0.22399E-02 ppm1 0.532 ppm2 0.751 CV 1 OR { 91} ( segid "RN14" and resid 642 and name HD1%) ( segid "RN14" and resid 636 and name HD2%) OR { 91} ( segid "RN14" and resid 642 and name HD1%) ( segid "RN15" and resid 148 and name HD1%) ASSI { 92} ( segid "RN14" and resid 642 and name HD1%) ( segid "RN15" and resid 205 and name HD1%) 2.600 2.600 3.400 peak 92 spectrum 1 weight 0.10000E+01 volume 0.47394E-02 ppm1 0.531 ppm2 0.668 CV 1 OR { 92} ( segid "RN14" and resid 642 and name HD1%) ( segid "RN15" and resid 152 and name HD1%) ASSI { 94} ( segid "RN14" and resid 653 and name HD1%) ( segid "RN14" and resid 658 and name HD1%) 4.000 2.000 2.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.35541E-02 ppm1 0.657 ppm2 0.972 CV 1 OR { 94} ( segid "RN14" and resid 653 and name HD1%) ( segid "RN15" and resid 199 and name HD1%) ASSI { 99} ( segid "RN14" and resid 658 and name HD1%) ( segid "RN14" and resid 653 and name HD2%) 2.400 2.400 3.600 peak 99 spectrum 1 weight 0.10000E+01 volume 0.26435E-02 ppm1 0.955 ppm2 0.706 CV 1 OR { 99} ( segid "RN14" and resid 658 and name HD1%) ( segid "RN15" and resid 208 and name HG1%) OR { 99} ( segid "RN14" and resid 658 and name HD1%) ( segid "RN15" and resid 214 and name HD2%) ASSI { 105} ( segid "RN14" and resid 662 and name HD1%) ( segid "RN14" and resid 666 and name HG2%) 3.200 1.300 1.300 peak 105 spectrum 1 weight 0.10000E+01 volume 0.51286E-02 ppm1 0.851 ppm2 0.507 CV 1 OR { 105} ( segid "RN14" and resid 639 and name HD2%) ( segid "RN14" and resid 642 and name HD1%) ASSI { 106} ( segid "RN14" and resid 666 and name HG1%) ( segid "RN14" and resid 662 and name HD1%) 2.200 0.600 0.600 peak 106 spectrum 1 weight 0.10000E+01 volume 0.73809E-02 ppm1 0.536 ppm2 0.864 CV 1 OR { 106} ( segid "RN14" and resid 666 and name HG1%) ( segid "RN15" and resid 213 and name HD2%) ASSI { 107} ( segid "RN14" and resid 666 and name HG2%) ( segid "RN14" and resid 662 and name HD1%) 3.000 1.200 1.200 peak 107 spectrum 1 weight 0.10000E+01 volume 0.61648E-02 ppm1 0.479 ppm2 0.852 CV 1 OR { 107} ( segid "RN14" and resid 666 and name HG2%) ( segid "RN15" and resid 213 and name HD2%) ASSI { 109} ( segid "RN14" and resid 668 and name HD1%) ( segid "RN14" and resid 662 and name HD1%) 2.000 0.500 0.500 peak 109 spectrum 1 weight 0.10000E+01 volume 0.10878E-01 ppm1 0.629 ppm2 0.861 CV 1 OR { 109} ( segid "RN14" and resid 668 and name HD1%) ( segid "RN15" and resid 213 and name HD2%) ASSI { 110} ( segid "RN14" and resid 668 and name HD1%) ( segid "RN15" and resid 181 and name HD1%) 2.200 0.600 0.600 peak 110 spectrum 1 weight 0.10000E+01 volume 0.10034E-01 ppm1 0.628 ppm2 0.920 CV 1 OR { 110} ( segid "RN14" and resid 668 and name HD1%) ( segid "RN15" and resid 218 and name HD1%) ASSI { 3} (( segid "RN14" and resid 657 and name HN )) (( segid "RN15" and resid 200 and name HG1 )) 2.800 2.800 3.200 peak 3 spectrum 1 weight 0.10000E+01 volume 0.12632E-02 ppm1 8.528 ppm2 2.406 CV 1 OR { 3} (( segid "RN14" and resid 657 and name HN )) (( segid "RN15" and resid 200 and name HG2 )) OR { 3} (( segid "RN14" and resid 657 and name HN )) (( segid "RN15" and resid 226 and name HB1 )) ASSI { 4} (( segid "RN14" and resid 657 and name HN )) (( segid "RN14" and resid 657 and name HE1 )) 5.000 3.100 1.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.50403E-03 ppm1 8.529 ppm2 2.985 CV 1 OR { 4} (( segid "RN14" and resid 657 and name HN )) (( segid "RN14" and resid 657 and name HE2 )) OR { 4} (( segid "RN15" and resid 183 and name HN )) (( segid "RN15" and resid 183 and name HE2 )) OR { 4} (( segid "RN15" and resid 183 and name HN )) (( segid "RN15" and resid 183 and name HE1 )) ASSI { 5} (( segid "RN15" and resid 183 and name HN )) (( segid "RN15" and resid 183 and name HB2 )) 2.000 0.500 0.500 peak 5 spectrum 1 weight 0.10000E+01 volume 0.13382E-01 ppm1 8.525 ppm2 1.677 CV 1 OR { 5} (( segid "RN15" and resid 183 and name HN )) (( segid "RN15" and resid 183 and name HG1 )) OR { 5} (( segid "RN14" and resid 657 and name HN )) (( segid "RN14" and resid 657 and name HG2 )) ASSI { 8} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 171 and name HA )) 3.200 1.300 1.300 peak 8 spectrum 1 weight 0.10000E+01 volume 0.34394E-02 ppm1 7.791 ppm2 4.155 CV 1 OR { 8} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 170 and name HA )) OR { 8} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 173 and name HD1 )) ASSI { 9} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 182 and name HB1 )) 4.800 2.800 1.200 peak 9 spectrum 1 weight 0.10000E+01 volume 0.43399E-03 ppm1 7.828 ppm2 2.211 CV 1 OR { 9} (( segid "RN15" and resid 196 and name HN )) (( segid "RN15" and resid 198 and name HB1 )) OR { 9} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 181 and name HB1 )) OR { 9} (( segid "RN15" and resid 196 and name HN )) (( segid "RN14" and resid 656 and name HB1 )) ASSI { 10} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 172 and name HB1 )) 2.900 1.100 1.100 peak 10 spectrum 1 weight 0.10000E+01 volume 0.56656E-02 ppm1 7.794 ppm2 2.051 CV 1 OR { 10} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 171 and name HB1 )) ASSI { 11} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 171 and name HB2 )) 3.200 1.300 1.300 peak 11 spectrum 1 weight 0.10000E+01 volume 0.19511E-02 ppm1 7.789 ppm2 1.873 CV 1 OR { 11} (( segid "RN15" and resid 196 and name HN )) (( segid "RN15" and resid 199 and name HB1 )) ASSI { 12} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 172 and name HD1 )) 3.400 1.400 1.400 peak 12 spectrum 1 weight 0.10000E+01 volume 0.62037E-02 ppm1 7.788 ppm2 1.593 CV 1 OR { 12} (( segid "RN15" and resid 196 and name HN )) ( segid "RN14" and resid 655 and name HB% ) OR { 12} (( segid "RN15" and resid 187 and name HN )) (( segid "RN15" and resid 189 and name HB1 )) ASSI { 13} (( segid "RN14" and resid 639 and name HN )) (( segid "RN14" and resid 635 and name HB )) 2.800 2.800 3.200 peak 13 spectrum 1 weight 0.10000E+01 volume 0.99930E-02 ppm1 8.045 ppm2 2.025 CV 1 OR { 13} (( segid "RN14" and resid 664 and name HN )) (( segid "RN14" and resid 667 and name HG1 )) OR { 13} (( segid "RN15" and resid 211 and name HN )) (( segid "RN15" and resid 177 and name HB2 )) OR { 13} (( segid "RN15" and resid 211 and name HN )) (( segid "RN14" and resid 658 and name HB1 )) OR { 13} (( segid "RN14" and resid 639 and name HN )) (( segid "RN15" and resid 168 and name HB1 )) ASSI { 14} (( segid "RN15" and resid 211 and name HN )) ( segid "RN15" and resid 210 and name HB% ) 2.200 0.600 0.600 peak 14 spectrum 1 weight 0.10000E+01 volume 0.53404E-02 ppm1 8.049 ppm2 1.355 CV 1 OR { 14} (( segid "RN14" and resid 639 and name HN )) (( segid "RN14" and resid 638 and name HG )) OR { 14} (( segid "RN15" and resid 211 and name HN )) (( segid "RN15" and resid 169 and name HB2 )) ASSI { 15} (( segid "RN14" and resid 664 and name HN )) (( segid "RN14" and resid 666 and name HB )) 3.200 3.200 2.800 peak 15 spectrum 1 weight 0.10000E+01 volume 0.58410E-02 ppm1 8.046 ppm2 1.813 CV 1 OR { 15} (( segid "RN15" and resid 211 and name HN )) (( segid "RN15" and resid 177 and name HB1 )) OR { 15} (( segid "RN15" and resid 211 and name HN )) (( segid "RN15" and resid 227 and name HB2 )) ASSI { 16} (( segid "RN15" and resid 218 and name HN )) (( segid "RN15" and resid 218 and name HG12)) 2.600 0.900 0.900 peak 16 spectrum 1 weight 0.10000E+01 volume 0.14133E-02 ppm1 8.338 ppm2 1.201 CV 1 OR { 16} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 212 and name HB2 )) ASSI { 17} (( segid "RN15" and resid 213 and name HN )) ( segid "RN15" and resid 181 and name HD2%) 3.500 1.500 1.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.26014E-02 ppm1 8.345 ppm2 1.086 CV 1 OR { 17} (( segid "RN15" and resid 213 and name HN )) ( segid "RN14" and resid 658 and name HD2%) OR { 17} (( segid "RN15" and resid 213 and name HN )) ( segid "RN15" and resid 221 and name HG2%) ASSI { 18} (( segid "RN15" and resid 218 and name HN )) ( segid "RN15" and resid 218 and name HD1%) 2.500 0.800 0.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.80669E-02 ppm1 8.345 ppm2 0.909 CV 1 OR { 18} (( segid "RN15" and resid 213 and name HN )) ( segid "RN15" and resid 181 and name HD1%) ASSI { 19} (( segid "RN14" and resid 660 and name HN )) (( segid "RN14" and resid 659 and name HA )) 4.100 2.100 1.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.58655E-03 ppm1 7.894 ppm2 3.287 CV 1 OR { 19} (( segid "RN14" and resid 660 and name HN )) (( segid "RN14" and resid 661 and name HB2 )) ASSI { 20} (( segid "RN15" and resid 209 and name HN )) ( segid "RN15" and resid 208 and name HG1%) 2.300 0.700 0.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.35770E-02 ppm1 7.901 ppm2 0.689 CV 1 OR { 20} (( segid "RN15" and resid 209 and name HN )) ( segid "RN15" and resid 212 and name HD1%) ASSI { 21} (( segid "RN15" and resid 209 and name HN )) ( segid "RN15" and resid 208 and name HG2%) 4.200 2.200 1.800 peak 21 spectrum 1 weight 0.10000E+01 volume 0.11056E-02 ppm1 7.898 ppm2 1.015 CV 1 OR { 21} (( segid "RN14" and resid 660 and name HN )) ( segid "RN14" and resid 659 and name HG2%) ASSI { 22} (( segid "RN15" and resid 209 and name HN )) ( segid "RN15" and resid 210 and name HB% ) 5.600 3.900 0.400 peak 22 spectrum 1 weight 0.10000E+01 volume 0.26139E-03 ppm1 7.898 ppm2 1.348 CV 1 OR { 22} (( segid "RN14" and resid 660 and name HN )) (( segid "RN14" and resid 658 and name HB2 )) OR { 22} (( segid "RN15" and resid 209 and name HN )) (( segid "RN14" and resid 638 and name HG )) OR { 22} (( segid "RN15" and resid 209 and name HN )) (( segid "RN15" and resid 169 and name HB2 )) ASSI { 23} (( segid "RN14" and resid 660 and name HN )) ( segid "RN14" and resid 659 and name HG1%) 3.200 1.300 1.300 peak 23 spectrum 1 weight 0.10000E+01 volume 0.15633E-02 ppm1 7.894 ppm2 0.916 CV 1 OR { 23} (( segid "RN15" and resid 209 and name HN )) ( segid "RN15" and resid 213 and name HD1%) OR { 23} (( segid "RN15" and resid 209 and name HN )) ( segid "RN15" and resid 181 and name HD1%) ASSI { 25} (( segid "RN14" and resid 664 and name HN )) (( segid "RN14" and resid 660 and name HA )) 3.500 1.500 1.500 peak 25 spectrum 1 weight 0.10000E+01 volume 0.13883E-02 ppm1 8.041 ppm2 4.345 CV 1 OR { 25} (( segid "RN14" and resid 664 and name HN )) (( segid "RN14" and resid 663 and name HA )) OR { 25} (( segid "RN15" and resid 211 and name HN )) (( segid "RN15" and resid 209 and name HB )) ASSI { 26} (( segid "RN15" and resid 211 and name HN )) (( segid "RN15" and resid 169 and name HB1 )) 4.600 2.600 1.400 peak 26 spectrum 1 weight 0.10000E+01 volume 0.68663E-03 ppm1 8.046 ppm2 1.959 CV 1 OR { 26} (( segid "RN14" and resid 639 and name HN )) (( segid "RN14" and resid 636 and name HB1 )) OR { 26} (( segid "RN14" and resid 639 and name HN )) (( segid "RN15" and resid 204 and name HG2 )) OR { 26} (( segid "RN15" and resid 211 and name HN )) (( segid "RN15" and resid 169 and name HG )) OR { 26} (( segid "RN14" and resid 664 and name HN )) (( segid "RN14" and resid 665 and name HB2 )) ASSI { 28} (( segid "RN15" and resid 156 and name HN )) (( segid "RN15" and resid 155 and name HB1 )) 5.000 3.100 1.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.56156E-03 ppm1 8.032 ppm2 2.710 CV 1 OR { 28} (( segid "RN15" and resid 156 and name HN )) (( segid "RN14" and resid 647 and name HB1 )) ASSI { 29} (( segid "RN14" and resid 671 and name HN )) (( segid "RN14" and resid 670 and name HA )) 3.100 1.200 1.200 peak 29 spectrum 1 weight 0.10000E+01 volume 0.17385E-02 ppm1 8.365 ppm2 4.398 CV 1 OR { 29} (( segid "RN14" and resid 630 and name HN )) (( segid "RN14" and resid 629 and name HA )) ASSI { 30} (( segid "RN15" and resid 141 and name HN )) (( segid "RN15" and resid 141 and name HA )) 2.800 1.000 1.000 peak 30 spectrum 1 weight 0.10000E+01 volume 0.21637E-02 ppm1 8.153 ppm2 4.167 CV 1 OR { 30} (( segid "RN14" and resid 661 and name HN )) (( segid "RN15" and resid 227 and name HA )) ASSI { 32} (( segid "RN15" and resid 180 and name HN )) ( segid "RN15" and resid 176 and name HG1%) 3.300 1.400 1.400 peak 32 spectrum 1 weight 0.10000E+01 volume 0.27891E-02 ppm1 8.124 ppm2 1.093 CV 1 OR { 32} (( segid "RN14" and resid 652 and name HN )) (( segid "RN14" and resid 653 and name HB2 )) OR { 32} (( segid "RN15" and resid 180 and name HN )) ( segid "RN15" and resid 181 and name HD2%) ASSI { 34} (( segid "RN14" and resid 660 and name HN )) ( segid "RN14" and resid 659 and name HG2%) 4.200 2.200 1.800 peak 34 spectrum 1 weight 0.10000E+01 volume 0.13007E-02 ppm1 7.889 ppm2 0.969 CV 1 OR { 34} (( segid "RN15" and resid 209 and name HN )) ( segid "RN15" and resid 199 and name HD1%) OR { 34} (( segid "RN14" and resid 660 and name HN )) ( segid "RN14" and resid 658 and name HD1%) OR { 34} (( segid "RN15" and resid 209 and name HN )) ( segid "RN15" and resid 213 and name HD1%) ASSI { 35} (( segid "RN15" and resid 209 and name HN )) (( segid "RN15" and resid 208 and name HB )) 3.000 1.100 1.100 peak 35 spectrum 1 weight 0.10000E+01 volume 0.24264E-02 ppm1 7.898 ppm2 2.108 CV 1 OR { 35} (( segid "RN15" and resid 209 and name HN )) (( segid "RN15" and resid 211 and name HG2 )) OR { 35} (( segid "RN15" and resid 209 and name HN )) (( segid "RN15" and resid 181 and name HG )) ASSI { 38} (( segid "RN14" and resid 656 and name HN )) ( segid "RN14" and resid 659 and name HG2%) 5.100 3.300 0.900 peak 38 spectrum 1 weight 0.10000E+01 volume 0.58284E-03 ppm1 8.113 ppm2 1.020 CV 1 OR { 38} (( segid "RN14" and resid 656 and name HN )) ( segid "RN15" and resid 199 and name HD1%) ASSI { 39} (( segid "RN14" and resid 650 and name HN )) ( segid "RN14" and resid 652 and name HD2%) 4.200 2.200 1.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.58284E-03 ppm1 8.022 ppm2 0.961 CV 1 OR { 39} (( segid "RN14" and resid 650 and name HN )) ( segid "RN14" and resid 652 and name HD1%) OR { 39} (( segid "RN14" and resid 670 and name HN )) ( segid "RN14" and resid 671 and name HG2%) ASSI { 43} (( segid "RN14" and resid 639 and name HN )) ( segid "RN15" and resid 180 and name HE% ) 4.600 2.700 1.400 peak 43 spectrum 1 weight 0.10000E+01 volume 0.30142E-03 ppm1 8.052 ppm2 6.844 CV 1 OR { 43} (( segid "RN14" and resid 664 and name HN )) (( segid "RN14" and resid 665 and name HE22)) OR { 43} (( segid "RN15" and resid 211 and name HN )) ( segid "RN15" and resid 180 and name HE% ) ASSI { 44} (( segid "RN14" and resid 639 and name HN )) (( segid "RN14" and resid 642 and name HN )) 5.900 4.300 0.100 peak 44 spectrum 1 weight 0.10000E+01 volume 0.93926E-04 ppm1 8.052 ppm2 6.975 CV 1 OR { 44} (( segid "RN15" and resid 211 and name HN )) ( segid "RN15" and resid 180 and name HD% ) ASSI { 47} (( segid "RN14" and resid 639 and name HN )) ( segid "RN15" and resid 208 and name HG2%) 4.900 3.000 1.100 peak 47 spectrum 1 weight 0.10000E+01 volume 0.54530E-03 ppm1 8.057 ppm2 1.037 CV 1 OR { 47} (( segid "RN15" and resid 211 and name HN )) ( segid "RN15" and resid 208 and name HG2%) OR { 47} (( segid "RN15" and resid 211 and name HN )) ( segid "RN14" and resid 658 and name HD2%) ASSI { 48} (( segid "RN14" and resid 639 and name HN )) ( segid "RN14" and resid 639 and name HD2%) 4.200 2.200 1.800 peak 48 spectrum 1 weight 0.10000E+01 volume 0.63785E-03 ppm1 8.053 ppm2 0.889 CV 1 OR { 48} (( segid "RN14" and resid 639 and name HN )) ( segid "RN14" and resid 641 and name HG2%) OR { 48} (( segid "RN15" and resid 211 and name HN )) ( segid "RN15" and resid 165 and name HG2%) OR { 48} (( segid "RN15" and resid 211 and name HN )) ( segid "RN14" and resid 642 and name HG2%) ASSI { 49} (( segid "RN14" and resid 639 and name HN )) (( segid "RN14" and resid 638 and name HB2 )) 4.200 2.200 1.800 peak 49 spectrum 1 weight 0.10000E+01 volume 0.91173E-03 ppm1 8.056 ppm2 1.528 CV 1 OR { 49} (( segid "RN15" and resid 211 and name HN )) (( segid "RN15" and resid 213 and name HB2 )) OR { 49} (( segid "RN15" and resid 211 and name HN )) (( segid "RN15" and resid 214 and name HB2 )) OR { 49} (( segid "RN15" and resid 211 and name HN )) (( segid "RN14" and resid 653 and name HG )) ASSI { 50} (( segid "RN15" and resid 211 and name HN )) (( segid "RN15" and resid 213 and name HG )) 3.600 1.600 1.600 peak 50 spectrum 1 weight 0.10000E+01 volume 0.27390E-02 ppm1 8.047 ppm2 2.219 CV 1 OR { 50} (( segid "RN15" and resid 211 and name HN )) (( segid "RN15" and resid 212 and name HB1 )) OR { 50} (( segid "RN15" and resid 211 and name HN )) (( segid "RN15" and resid 165 and name HB )) ASSI { 54} (( segid "RN15" and resid 183 and name HN )) (( segid "RN15" and resid 183 and name HG2 )) 3.200 1.300 1.300 peak 54 spectrum 1 weight 0.10000E+01 volume 0.18260E-02 ppm1 8.525 ppm2 1.586 CV 1 OR { 54} (( segid "RN14" and resid 657 and name HN )) ( segid "RN14" and resid 655 and name HB% ) ASSI { 55} (( segid "RN15" and resid 183 and name HN )) ( segid "RN14" and resid 635 and name HG2%) 4.700 2.800 1.300 peak 55 spectrum 1 weight 0.10000E+01 volume 0.82668E-03 ppm1 8.526 ppm2 0.609 CV 1 OR { 55} (( segid "RN15" and resid 183 and name HN )) ( segid "RN14" and resid 668 and name HD1%) OR { 55} (( segid "RN15" and resid 183 and name HN )) ( segid "RN15" and resid 188 and name HG2%) OR { 55} (( segid "RN15" and resid 183 and name HN )) ( segid "RN14" and resid 635 and name HG1%) ASSI { 56} (( segid "RN14" and resid 657 and name HN )) ( segid "RN14" and resid 658 and name HD1%) 5.200 3.400 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.59032E-03 ppm1 8.522 ppm2 0.950 CV 1 OR { 56} (( segid "RN15" and resid 183 and name HN )) ( segid "RN15" and resid 181 and name HD1%) ASSI { 61} (( segid "RN15" and resid 227 and name HN )) ( segid "RN14" and resid 658 and name HD1%) 6.000 6.000 0.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.53404E-05 ppm1 7.440 ppm2 0.965 CV 1 OR { 61} (( segid "RN15" and resid 191 and name HN )) ( segid "RN14" and resid 659 and name HG2%) ASSI { 65} (( segid "RN15" and resid 227 and name HN )) ( segid "RN15" and resid 225 and name HG2%) 4.900 3.000 1.100 peak 65 spectrum 1 weight 0.10000E+01 volume 0.33894E-03 ppm1 7.426 ppm2 0.896 CV 1 OR { 65} (( segid "RN15" and resid 191 and name HN )) ( segid "RN14" and resid 659 and name HG1%) ASSI { 66} (( segid "RN15" and resid 191 and name HN )) (( segid "RN15" and resid 192 and name HA )) 4.900 3.000 1.100 peak 66 spectrum 1 weight 0.10000E+01 volume 0.40272E-03 ppm1 7.425 ppm2 4.260 CV 1 OR { 66} (( segid "RN15" and resid 227 and name HN )) (( segid "RN14" and resid 658 and name HA )) ASSI { 67} (( segid "RN15" and resid 191 and name HN )) (( segid "RN15" and resid 188 and name HB )) 6.000 6.000 0.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.72415E-04 ppm1 7.436 ppm2 3.840 CV 1 OR { 67} (( segid "RN15" and resid 227 and name HN )) (( segid "RN15" and resid 210 and name HA )) ASSI { 68} (( segid "RN15" and resid 191 and name HN )) (( segid "RN15" and resid 189 and name HA )) 4.300 2.300 1.700 peak 68 spectrum 1 weight 0.10000E+01 volume 0.52779E-03 ppm1 7.435 ppm2 3.797 CV 1 OR { 68} (( segid "RN15" and resid 191 and name HN )) (( segid "RN15" and resid 188 and name HB )) ASSI { 69} (( segid "RN15" and resid 227 and name HN )) (( segid "RN15" and resid 228 and name HA )) 4.400 2.400 1.600 peak 69 spectrum 1 weight 0.10000E+01 volume 0.96051E-03 ppm1 7.437 ppm2 4.333 CV 1 OR { 69} (( segid "RN15" and resid 191 and name HN )) (( segid "RN14" and resid 663 and name HA )) OR { 69} (( segid "RN15" and resid 227 and name HN )) (( segid "RN15" and resid 209 and name HB )) ASSI { 70} (( segid "RN15" and resid 193 and name HN )) (( segid "RN14" and resid 663 and name HD21)) 5.100 3.300 0.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.48027E-03 ppm1 8.257 ppm2 7.572 CV 1 OR { 70} (( segid "RN15" and resid 137 and name HN )) (( segid "RN15" and resid 139 and name HD21)) OR { 70} (( segid "RN15" and resid 193 and name HN )) (( segid "RN15" and resid 145 and name HZ )) ASSI { 74} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 169 and name HA )) 5.100 3.200 0.900 peak 74 spectrum 1 weight 0.10000E+01 volume 0.32143E-03 ppm1 7.791 ppm2 3.881 CV 1 OR { 74} (( segid "RN15" and resid 196 and name HN )) (( segid "RN14" and resid 656 and name HA )) ASSI { 79} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 175 and name HG2 )) 6.000 4.700 0.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.11481E-03 ppm1 7.826 ppm2 2.352 CV 1 OR { 79} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 175 and name HG1 )) OR { 79} (( segid "RN15" and resid 196 and name HN )) (( segid "RN14" and resid 656 and name HG2 )) ASSI { 80} (( segid "RN15" and resid 196 and name HN )) (( segid "RN15" and resid 198 and name HB1 )) 3.600 1.600 1.600 peak 80 spectrum 1 weight 0.10000E+01 volume 0.22637E-02 ppm1 7.794 ppm2 2.233 CV 1 OR { 80} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 176 and name HB )) ASSI { 81} (( segid "RN15" and resid 196 and name HN )) (( segid "RN15" and resid 194 and name HB1 )) 5.400 3.600 0.600 peak 81 spectrum 1 weight 0.10000E+01 volume 0.25639E-03 ppm1 7.797 ppm2 2.647 CV 1 OR { 81} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 177 and name HG2 )) ASSI { 82} (( segid "RN15" and resid 196 and name HN )) (( segid "RN15" and resid 194 and name HB1 )) 6.000 5.100 0.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.96554E-04 ppm1 7.820 ppm2 2.627 CV 1 OR { 82} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 177 and name HG2 )) OR { 82} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 173 and name HB2 )) ASSI { 85} (( segid "RN15" and resid 172 and name HN )) ( segid "RN15" and resid 169 and name HD2%) 5.100 3.300 0.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.56031E-03 ppm1 7.796 ppm2 0.625 CV 1 OR { 85} (( segid "RN15" and resid 196 and name HN )) ( segid "RN15" and resid 188 and name HG2%) OR { 85} (( segid "RN15" and resid 196 and name HN )) ( segid "RN15" and resid 205 and name HD2%) ASSI { 89} (( segid "RN14" and resid 648 and name HN )) (( segid "RN15" and resid 161 and name HB2 )) 5.500 3.800 0.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.15633E-03 ppm1 7.841 ppm2 1.597 CV 1 OR { 89} (( segid "RN15" and resid 181 and name HN )) (( segid "RN15" and resid 183 and name HG2 )) OR { 89} (( segid "RN14" and resid 648 and name HN )) (( segid "RN14" and resid 643 and name HG2 )) OR { 89} (( segid "RN14" and resid 648 and name HN )) (( segid "RN14" and resid 652 and name HG )) OR { 89} (( segid "RN14" and resid 648 and name HN )) (( segid "RN14" and resid 652 and name HB1 )) OR { 89} (( segid "RN14" and resid 648 and name HN )) (( segid "RN14" and resid 652 and name HB2 )) OR { 89} (( segid "RN15" and resid 181 and name HN )) (( segid "RN14" and resid 662 and name HG )) ASSI { 90} (( segid "RN14" and resid 648 and name HN )) (( segid "RN14" and resid 646 and name HB2 )) 3.500 1.500 1.500 peak 90 spectrum 1 weight 0.10000E+01 volume 0.20386E-02 ppm1 7.838 ppm2 1.925 CV 1 OR { 90} (( segid "RN14" and resid 648 and name HN )) (( segid "RN14" and resid 646 and name HB1 )) OR { 90} (( segid "RN15" and resid 181 and name HN )) (( segid "RN15" and resid 212 and name HG )) OR { 90} (( segid "RN15" and resid 181 and name HN )) (( segid "RN15" and resid 183 and name HB1 )) OR { 90} (( segid "RN14" and resid 648 and name HN )) (( segid "RN15" and resid 204 and name HB1 )) OR { 90} (( segid "RN15" and resid 181 and name HN )) (( segid "RN15" and resid 169 and name HB1 )) ASSI { 91} (( segid "RN15" and resid 189 and name HN )) (( segid "RN14" and resid 663 and name HN )) 6.000 5.600 0.000 peak 91 spectrum 1 weight 0.10000E+01 volume 0.10331E-03 ppm1 8.209 ppm2 8.493 CV 1 OR { 91} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 185 and name HE22)) ASSI { 93} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 211 and name HN )) 2.400 2.400 3.600 peak 93 spectrum 1 weight 0.10000E+01 volume 0.12006E-01 ppm1 8.340 ppm2 8.027 CV 1 OR { 93} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 210 and name HN )) ASSI { 94} (( segid "RN15" and resid 218 and name HN )) (( segid "RN15" and resid 217 and name HN )) 4.700 2.700 1.300 peak 94 spectrum 1 weight 0.10000E+01 volume 0.11456E-03 ppm1 8.344 ppm2 7.932 CV 1 OR { 94} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 216 and name HD21)) ASSI { 95} (( segid "RN15" and resid 213 and name HN )) ( segid "RN15" and resid 214 and name HD2%) 4.400 2.400 1.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.55656E-03 ppm1 8.342 ppm2 0.699 CV 1 OR { 95} (( segid "RN15" and resid 213 and name HN )) ( segid "RN15" and resid 212 and name HD1%) OR { 95} (( segid "RN15" and resid 218 and name HN )) ( segid "RN15" and resid 214 and name HD2%) ASSI { 97} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 214 and name HG )) 3.800 1.800 1.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.13007E-02 ppm1 8.341 ppm2 1.745 CV 1 OR { 97} (( segid "RN15" and resid 218 and name HN )) (( segid "RN15" and resid 214 and name HG )) OR { 97} (( segid "RN15" and resid 218 and name HN )) (( segid "RN14" and resid 667 and name HB1 )) ASSI { 98} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 213 and name HB1 )) 4.100 2.100 1.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.10456E-02 ppm1 8.341 ppm2 1.886 CV 1 OR { 98} (( segid "RN15" and resid 218 and name HN )) (( segid "RN15" and resid 213 and name HB1 )) OR { 98} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 214 and name HB1 )) ASSI { 99} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 213 and name HG )) 2.100 0.500 0.500 peak 99 spectrum 1 weight 0.10000E+01 volume 0.10793E-01 ppm1 8.342 ppm2 2.219 CV 1 OR { 99} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 212 and name HB1 )) ASSI { 101} (( segid "RN15" and resid 213 and name HN )) ( segid "RN15" and resid 224 and name HD1%) 3.800 1.800 1.800 peak 101 spectrum 1 weight 0.10000E+01 volume 0.21637E-02 ppm1 8.340 ppm2 0.805 CV 1 OR { 101} (( segid "RN15" and resid 213 and name HN )) ( segid "RN15" and resid 214 and name HD1%) OR { 101} (( segid "RN15" and resid 213 and name HN )) ( segid "RN14" and resid 662 and name HD2%) ASSI { 102} (( segid "RN15" and resid 213 and name HN )) ( segid "RN15" and resid 210 and name HB% ) 4.000 2.000 2.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.11556E-02 ppm1 8.342 ppm2 1.347 CV 1 OR { 102} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 224 and name HB2 )) OR { 102} (( segid "RN15" and resid 213 and name HN )) (( segid "RN14" and resid 668 and name HG11)) OR { 102} (( segid "RN15" and resid 218 and name HN )) (( segid "RN14" and resid 668 and name HG11)) ASSI { 103} (( segid "RN15" and resid 218 and name HN )) ( segid "RN15" and resid 218 and name HD1%) 3.100 1.200 1.200 peak 103 spectrum 1 weight 0.10000E+01 volume 0.31142E-02 ppm1 8.341 ppm2 0.879 CV 1 OR { 103} (( segid "RN15" and resid 213 and name HN )) ( segid "RN15" and resid 213 and name HD2%) OR { 103} (( segid "RN15" and resid 218 and name HN )) ( segid "RN15" and resid 213 and name HD2%) ASSI { 104} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 213 and name HB2 )) 2.400 0.700 0.700 peak 104 spectrum 1 weight 0.10000E+01 volume 0.64287E-02 ppm1 8.335 ppm2 1.535 CV 1 OR { 104} (( segid "RN15" and resid 218 and name HN )) (( segid "RN15" and resid 218 and name HG11)) OR { 104} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 214 and name HB2 )) ASSI { 106} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 177 and name HB1 )) 6.000 4.800 0.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.21012E-03 ppm1 8.339 ppm2 1.823 CV 1 OR { 106} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 224 and name HB1 )) OR { 106} (( segid "RN15" and resid 218 and name HN )) (( segid "RN14" and resid 666 and name HB )) OR { 106} (( segid "RN15" and resid 213 and name HN )) (( segid "RN14" and resid 666 and name HB )) OR { 106} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 227 and name HB2 )) ASSI { 107} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 213 and name HG )) 4.700 2.700 1.300 peak 107 spectrum 1 weight 0.10000E+01 volume 0.89677E-04 ppm1 8.345 ppm2 2.228 CV 1 OR { 107} (( segid "RN15" and resid 131 and name HN )) (( segid "RN15" and resid 130 and name HB2 )) OR { 107} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 212 and name HB1 )) ASSI { 108} (( segid "RN15" and resid 218 and name HN )) (( segid "RN15" and resid 216 and name HB2 )) 3.400 1.500 1.500 peak 108 spectrum 1 weight 0.10000E+01 volume 0.13883E-02 ppm1 8.339 ppm2 2.855 CV 1 OR { 108} (( segid "RN15" and resid 218 and name HN )) (( segid "RN15" and resid 219 and name HB2 )) OR { 108} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 216 and name HB2 )) OR { 108} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 219 and name HB2 )) ASSI { 109} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 214 and name HA )) 4.900 3.000 1.100 peak 109 spectrum 1 weight 0.10000E+01 volume 0.56156E-03 ppm1 8.325 ppm2 4.333 CV 1 OR { 109} (( segid "RN15" and resid 218 and name HN )) (( segid "RN15" and resid 214 and name HA )) OR { 109} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 209 and name HB )) OR { 109} (( segid "RN15" and resid 218 and name HN )) (( segid "RN14" and resid 668 and name HA )) OR { 109} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 215 and name HB )) ASSI { 110} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 214 and name HA )) 5.100 3.300 0.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.30642E-03 ppm1 8.351 ppm2 4.303 CV 1 OR { 110} (( segid "RN15" and resid 218 and name HN )) (( segid "RN15" and resid 214 and name HA )) OR { 110} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 215 and name HB )) ASSI { 111} (( segid "RN15" and resid 218 and name HN )) (( segid "RN15" and resid 219 and name HA )) 6.000 6.000 0.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.33393E-05 ppm1 8.342 ppm2 4.943 CV 1 OR { 111} (( segid "RN15" and resid 213 and name HN )) (( segid "RN15" and resid 219 and name HA )) ASSI { 114} (( segid "RN15" and resid 165 and name HN )) ( segid "RN15" and resid 165 and name HD1%) 5.300 3.500 0.700 peak 114 spectrum 1 weight 0.10000E+01 volume 0.38646E-03 ppm1 7.878 ppm2 0.889 CV 1 OR { 114} (( segid "RN15" and resid 165 and name HN )) ( segid "RN15" and resid 165 and name HG2%) OR { 114} (( segid "RN15" and resid 165 and name HN )) ( segid "RN14" and resid 642 and name HG2%) ASSI { 115} (( segid "RN15" and resid 165 and name HN )) (( segid "RN15" and resid 162 and name HA )) 3.700 1.700 1.700 peak 115 spectrum 1 weight 0.10000E+01 volume 0.12194E-02 ppm1 7.860 ppm2 3.923 CV 1 OR { 115} (( segid "RN15" and resid 200 and name HN )) (( segid "RN15" and resid 196 and name HA )) OR { 115} (( segid "RN15" and resid 165 and name HN )) (( segid "RN14" and resid 643 and name HD1 )) OR { 115} (( segid "RN15" and resid 200 and name HN )) (( segid "RN14" and resid 655 and name HA )) ASSI { 122} (( segid "RN15" and resid 156 and name HN )) (( segid "RN15" and resid 155 and name HB2 )) 4.700 2.800 1.300 peak 122 spectrum 1 weight 0.10000E+01 volume 0.68411E-03 ppm1 8.028 ppm2 3.046 CV 1 OR { 122} (( segid "RN15" and resid 210 and name HN )) (( segid "RN15" and resid 207 and name HB1 )) ASSI { 123} (( segid "RN15" and resid 206 and name HN )) (( segid "RN14" and resid 655 and name HA )) 6.000 4.800 0.000 peak 123 spectrum 1 weight 0.10000E+01 volume 0.24138E-03 ppm1 7.630 ppm2 3.937 CV 1 OR { 123} (( segid "RN15" and resid 206 and name HN )) (( segid "RN15" and resid 196 and name HA )) ASSI { 124} (( segid "RN15" and resid 206 and name HN )) (( segid "RN15" and resid 208 and name HN )) 3.800 1.800 1.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.60032E-03 ppm1 7.641 ppm2 8.008 CV 1 OR { 124} (( segid "RN15" and resid 206 and name HN )) (( segid "RN15" and resid 210 and name HN )) ASSI { 126} (( segid "RN15" and resid 202 and name HN )) ( segid "RN14" and resid 655 and name HB% ) 4.200 2.200 1.800 peak 126 spectrum 1 weight 0.10000E+01 volume 0.42273E-03 ppm1 8.350 ppm2 1.553 CV 1 OR { 126} (( segid "RN15" and resid 202 and name HN )) (( segid "RN15" and resid 199 and name HB2 )) ASSI { 149} (( segid "RN14" and resid 659 and name HN )) ( segid "RN14" and resid 659 and name HG2%) 4.300 2.400 1.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.46150E-03 ppm1 8.278 ppm2 0.974 CV 1 OR { 149} (( segid "RN14" and resid 659 and name HN )) ( segid "RN15" and resid 199 and name HD1%) OR { 149} (( segid "RN14" and resid 659 and name HN )) ( segid "RN14" and resid 658 and name HD1%) ASSI { 173} (( segid "RN15" and resid 141 and name HN )) ( segid "RN15" and resid 141 and name HD2%) 3.500 1.600 1.600 peak 173 spectrum 1 weight 0.10000E+01 volume 0.31892E-02 ppm1 8.153 ppm2 0.975 CV 1 OR { 173} (( segid "RN15" and resid 141 and name HN )) ( segid "RN15" and resid 141 and name HD1%) OR { 173} (( segid "RN14" and resid 661 and name HN )) ( segid "RN14" and resid 658 and name HD1%) OR { 173} (( segid "RN15" and resid 141 and name HN )) ( segid "RN15" and resid 201 and name HD2%) ASSI { 209} (( segid "RN15" and resid 145 and name HN )) ( segid "RN15" and resid 141 and name HD2%) 3.500 1.500 1.500 peak 209 spectrum 1 weight 0.10000E+01 volume 0.40147E-02 ppm1 7.688 ppm2 0.949 CV 1 OR { 209} (( segid "RN15" and resid 145 and name HN )) (( segid "RN15" and resid 144 and name HG2 )) ASSI { 210} (( segid "RN15" and resid 145 and name HN )) (( segid "RN15" and resid 142 and name HA )) 4.900 3.100 1.100 peak 210 spectrum 1 weight 0.10000E+01 volume 0.21137E-03 ppm1 7.675 ppm2 4.286 CV 1 OR { 210} (( segid "RN15" and resid 145 and name HN )) (( segid "RN14" and resid 630 and name HA )) OR { 210} (( segid "RN15" and resid 145 and name HN )) (( segid "RN15" and resid 148 and name HA )) ASSI { 253} (( segid "RN15" and resid 151 and name HN )) ( segid "RN15" and resid 152 and name HG2%) 5.300 3.500 0.700 peak 253 spectrum 1 weight 0.10000E+01 volume 0.21762E-03 ppm1 8.028 ppm2 0.858 CV 1 OR { 253} (( segid "RN15" and resid 151 and name HN )) ( segid "RN14" and resid 641 and name HG1%) OR { 253} (( segid "RN15" and resid 151 and name HN )) ( segid "RN14" and resid 639 and name HD2%) ASSI { 262} (( segid "RN15" and resid 152 and name HN )) (( segid "RN14" and resid 642 and name HN )) 6.000 4.600 0.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.64413E-04 ppm1 7.534 ppm2 6.976 CV 1 OR { 262} (( segid "RN15" and resid 152 and name HN )) (( segid "RN15" and resid 154 and name HN )) ASSI { 368} (( segid "RN15" and resid 162 and name HN )) (( segid "RN15" and resid 163 and name HN )) 2.800 1.000 1.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.31393E-02 ppm1 8.095 ppm2 7.896 CV 1 OR { 368} (( segid "RN15" and resid 162 and name HN )) (( segid "RN15" and resid 164 and name HN )) ASSI { 370} (( segid "RN15" and resid 162 and name HN )) (( segid "RN15" and resid 161 and name HG1 )) 3.900 1.900 1.900 peak 370 spectrum 1 weight 0.10000E+01 volume 0.17635E-02 ppm1 8.094 ppm2 2.193 CV 1 OR { 370} (( segid "RN15" and resid 162 and name HN )) (( segid "RN15" and resid 165 and name HB )) OR { 370} (( segid "RN15" and resid 162 and name HN )) (( segid "RN15" and resid 163 and name HB1 )) ASSI { 381} (( segid "RN15" and resid 163 and name HN )) (( segid "RN15" and resid 163 and name HB1 )) 3.200 1.300 1.300 peak 381 spectrum 1 weight 0.10000E+01 volume 0.51653E-02 ppm1 7.880 ppm2 2.189 CV 1 OR { 381} (( segid "RN15" and resid 163 and name HN )) (( segid "RN15" and resid 164 and name HB2 )) ASSI { 382} (( segid "RN15" and resid 163 and name HN )) (( segid "RN15" and resid 163 and name HG1 )) 3.600 1.600 1.600 peak 382 spectrum 1 weight 0.10000E+01 volume 0.35644E-02 ppm1 7.880 ppm2 2.633 CV 1 OR { 382} (( segid "RN15" and resid 163 and name HN )) (( segid "RN15" and resid 164 and name HG2 )) ASSI { 386} (( segid "RN15" and resid 163 and name HN )) (( segid "RN15" and resid 161 and name HB1 )) 5.800 4.300 0.200 peak 386 spectrum 1 weight 0.10000E+01 volume 0.16509E-03 ppm1 7.883 ppm2 1.565 CV 1 OR { 386} (( segid "RN15" and resid 163 and name HN )) (( segid "RN14" and resid 643 and name HG2 )) ASSI { 393} (( segid "RN15" and resid 164 and name HN )) ( segid "RN15" and resid 165 and name HD1%) 5.300 3.500 0.700 peak 393 spectrum 1 weight 0.10000E+01 volume 0.65413E-03 ppm1 7.921 ppm2 0.875 CV 1 OR { 393} (( segid "RN15" and resid 164 and name HN )) ( segid "RN14" and resid 642 and name HG2%) OR { 393} (( segid "RN15" and resid 164 and name HN )) ( segid "RN15" and resid 165 and name HG2%) ASSI { 394} (( segid "RN15" and resid 164 and name HN )) ( segid "RN15" and resid 162 and name HB% ) 4.200 2.200 1.800 peak 394 spectrum 1 weight 0.10000E+01 volume 0.54280E-03 ppm1 7.927 ppm2 1.418 CV 1 OR { 394} (( segid "RN15" and resid 143 and name HN )) (( segid "RN15" and resid 144 and name HB1 )) ASSI { 396} (( segid "RN15" and resid 164 and name HN )) ( segid "RN15" and resid 156 and name HG2%) 4.700 2.800 1.300 peak 396 spectrum 1 weight 0.10000E+01 volume 0.53780E-03 ppm1 7.924 ppm2 1.017 CV 1 OR { 396} (( segid "RN15" and resid 164 and name HN )) ( segid "RN15" and resid 208 and name HG2%) ASSI { 397} (( segid "RN15" and resid 164 and name HN )) (( segid "RN15" and resid 161 and name HA )) 4.100 2.100 1.900 peak 397 spectrum 1 weight 0.10000E+01 volume 0.44650E-03 ppm1 7.923 ppm2 3.900 CV 1 OR { 397} (( segid "RN15" and resid 164 and name HN )) (( segid "RN14" and resid 643 and name HD1 )) ASSI { 398} (( segid "RN15" and resid 164 and name HN )) (( segid "RN15" and resid 162 and name HA )) 4.000 2.000 2.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.82046E-03 ppm1 7.910 ppm2 3.956 CV 1 OR { 398} (( segid "RN15" and resid 164 and name HN )) (( segid "RN15" and resid 166 and name HB2 )) OR { 398} (( segid "RN15" and resid 164 and name HN )) (( segid "RN15" and resid 166 and name HB1 )) OR { 398} (( segid "RN15" and resid 164 and name HN )) (( segid "RN15" and resid 167 and name HB1 )) OR { 398} (( segid "RN15" and resid 164 and name HN )) (( segid "RN15" and resid 161 and name HD1 )) OR { 398} (( segid "RN15" and resid 164 and name HN )) (( segid "RN15" and resid 167 and name HB2 )) ASSI { 411} (( segid "RN15" and resid 166 and name HN )) (( segid "RN15" and resid 165 and name HG11)) 4.600 2.700 1.400 peak 411 spectrum 1 weight 0.10000E+01 volume 0.51279E-03 ppm1 8.267 ppm2 1.941 CV 1 OR { 411} (( segid "RN15" and resid 166 and name HN )) (( segid "RN15" and resid 169 and name HG )) ASSI { 412} (( segid "RN15" and resid 166 and name HN )) (( segid "RN15" and resid 211 and name HG1 )) 4.500 2.500 1.500 peak 412 spectrum 1 weight 0.10000E+01 volume 0.60283E-03 ppm1 8.274 ppm2 2.091 CV 1 OR { 412} (( segid "RN15" and resid 166 and name HN )) (( segid "RN15" and resid 164 and name HB1 )) OR { 412} (( segid "RN15" and resid 166 and name HN )) (( segid "RN15" and resid 211 and name HG2 )) ASSI { 425} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 167 and name HB1 )) 2.300 0.700 0.700 peak 425 spectrum 1 weight 0.10000E+01 volume 0.12632E-01 ppm1 8.402 ppm2 3.982 CV 1 OR { 425} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 166 and name HB2 )) OR { 425} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 167 and name HB2 )) OR { 425} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 166 and name HB1 )) ASSI { 426} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 167 and name HA )) 2.700 0.900 0.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.48151E-02 ppm1 8.401 ppm2 4.201 CV 1 OR { 426} (( segid "RN14" and resid 646 and name HN )) (( segid "RN14" and resid 646 and name HA )) ASSI { 428} (( segid "RN15" and resid 222 and name HN )) (( segid "RN15" and resid 221 and name HA )) 5.200 3.400 0.800 peak 428 spectrum 1 weight 0.10000E+01 volume 0.10131E-03 ppm1 8.400 ppm2 3.635 CV 1 OR { 428} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 165 and name HA )) OR { 428} (( segid "RN15" and resid 222 and name HN )) (( segid "RN15" and resid 226 and name HD1 )) ASSI { 429} (( segid "RN15" and resid 222 and name HN )) (( segid "RN15" and resid 222 and name HA )) 3.600 1.600 1.600 peak 429 spectrum 1 weight 0.10000E+01 volume 0.68411E-03 ppm1 8.403 ppm2 4.330 CV 1 OR { 429} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 164 and name HA )) ASSI { 430} (( segid "RN15" and resid 222 and name HN )) ( segid "RN15" and resid 225 and name HD1%) 6.000 5.500 0.000 peak 430 spectrum 1 weight 0.10000E+01 volume 0.12194E-03 ppm1 8.408 ppm2 0.889 CV 1 OR { 430} (( segid "RN15" and resid 167 and name HN )) ( segid "RN15" and resid 165 and name HG2%) OR { 430} (( segid "RN15" and resid 167 and name HN )) ( segid "RN14" and resid 642 and name HG2%) OR { 430} (( segid "RN15" and resid 167 and name HN )) ( segid "RN15" and resid 165 and name HD1%) ASSI { 431} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 211 and name HG1 )) 3.800 1.800 1.800 peak 431 spectrum 1 weight 0.10000E+01 volume 0.19886E-02 ppm1 8.403 ppm2 2.111 CV 1 OR { 431} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 164 and name HB1 )) OR { 431} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 211 and name HG2 )) ASSI { 432} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 169 and name HG )) 6.000 6.000 0.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.25014E-04 ppm1 8.395 ppm2 1.952 CV 1 OR { 432} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 165 and name HG11)) OR { 432} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 169 and name HB1 )) OR { 432} (( segid "RN14" and resid 646 and name HN )) (( segid "RN15" and resid 203 and name HB2 )) OR { 432} (( segid "RN15" and resid 167 and name HN )) (( segid "RN14" and resid 642 and name HB )) ASSI { 436} (( segid "RN15" and resid 168 and name HN )) (( segid "RN15" and resid 164 and name HB1 )) 2.800 2.800 3.200 peak 436 spectrum 1 weight 0.10000E+01 volume 0.63785E-02 ppm1 7.760 ppm2 2.107 CV 1 OR { 436} (( segid "RN15" and resid 168 and name HN )) (( segid "RN15" and resid 211 and name HG1 )) OR { 436} (( segid "RN15" and resid 168 and name HN )) (( segid "RN15" and resid 211 and name HG2 )) OR { 436} (( segid "RN15" and resid 168 and name HN )) (( segid "RN15" and resid 208 and name HB )) ASSI { 437} (( segid "RN15" and resid 168 and name HN )) (( segid "RN15" and resid 169 and name HG )) 3.300 1.400 1.400 peak 437 spectrum 1 weight 0.10000E+01 volume 0.49277E-02 ppm1 7.761 ppm2 1.949 CV 1 OR { 437} (( segid "RN15" and resid 168 and name HN )) (( segid "RN15" and resid 165 and name HG11)) OR { 437} (( segid "RN15" and resid 168 and name HN )) (( segid "RN15" and resid 169 and name HB1 )) ASSI { 438} (( segid "RN15" and resid 168 and name HN )) (( segid "RN15" and resid 167 and name HB2 )) 3.100 1.200 1.200 peak 438 spectrum 1 weight 0.10000E+01 volume 0.28390E-02 ppm1 7.761 ppm2 3.969 CV 1 OR { 438} (( segid "RN15" and resid 168 and name HN )) (( segid "RN15" and resid 167 and name HB1 )) OR { 438} (( segid "RN15" and resid 168 and name HN )) (( segid "RN15" and resid 166 and name HB1 )) ASSI { 441} (( segid "RN15" and resid 168 and name HN )) ( segid "RN14" and resid 642 and name HG2%) 5.900 4.300 0.100 peak 441 spectrum 1 weight 0.10000E+01 volume 0.16509E-03 ppm1 7.756 ppm2 0.884 CV 1 OR { 441} (( segid "RN15" and resid 168 and name HN )) ( segid "RN15" and resid 165 and name HG2%) OR { 441} (( segid "RN15" and resid 168 and name HN )) ( segid "RN15" and resid 165 and name HD1%) ASSI { 442} (( segid "RN15" and resid 168 and name HN )) ( segid "RN15" and resid 170 and name HB% ) 6.000 4.500 0.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.13382E-03 ppm1 7.760 ppm2 1.491 CV 1 OR { 442} (( segid "RN15" and resid 168 and name HN )) (( segid "RN15" and resid 172 and name HD2 )) ASSI { 448} (( segid "RN15" and resid 169 and name HN )) (( segid "RN15" and resid 166 and name HA )) 3.500 1.500 1.500 peak 448 spectrum 1 weight 0.10000E+01 volume 0.17009E-02 ppm1 8.434 ppm2 4.118 CV 1 OR { 448} (( segid "RN15" and resid 169 and name HN )) (( segid "RN15" and resid 170 and name HA )) ASSI { 449} (( segid "RN15" and resid 169 and name HN )) (( segid "RN15" and resid 211 and name HG1 )) 3.700 1.700 1.700 peak 449 spectrum 1 weight 0.10000E+01 volume 0.36645E-02 ppm1 8.433 ppm2 2.096 CV 1 OR { 449} (( segid "RN15" and resid 169 and name HN )) (( segid "RN15" and resid 172 and name HB1 )) OR { 449} (( segid "RN15" and resid 169 and name HN )) (( segid "RN15" and resid 211 and name HG2 )) OR { 449} (( segid "RN15" and resid 169 and name HN )) (( segid "RN15" and resid 208 and name HB )) ASSI { 450} (( segid "RN15" and resid 169 and name HN )) ( segid "RN14" and resid 642 and name HG2%) 3.900 1.900 1.900 peak 450 spectrum 1 weight 0.10000E+01 volume 0.16134E-02 ppm1 8.439 ppm2 0.854 CV 1 OR { 450} (( segid "RN15" and resid 169 and name HN )) ( segid "RN14" and resid 641 and name HG1%) ASSI { 464} (( segid "RN15" and resid 170 and name HN )) (( segid "RN15" and resid 169 and name HB1 )) 3.100 1.200 1.200 peak 464 spectrum 1 weight 0.10000E+01 volume 0.43149E-02 ppm1 7.680 ppm2 1.928 CV 1 OR { 464} (( segid "RN15" and resid 170 and name HN )) (( segid "RN15" and resid 212 and name HG )) ASSI { 465} (( segid "RN15" and resid 170 and name HN )) (( segid "RN15" and resid 211 and name HB1 )) 3.600 1.600 1.600 peak 465 spectrum 1 weight 0.10000E+01 volume 0.21512E-02 ppm1 7.677 ppm2 2.072 CV 1 OR { 465} (( segid "RN15" and resid 170 and name HN )) (( segid "RN15" and resid 211 and name HB2 )) OR { 465} (( segid "RN15" and resid 170 and name HN )) (( segid "RN15" and resid 211 and name HG1 )) OR { 465} (( segid "RN15" and resid 170 and name HN )) (( segid "RN15" and resid 171 and name HB1 )) OR { 465} (( segid "RN15" and resid 170 and name HN )) (( segid "RN15" and resid 211 and name HG2 )) ASSI { 466} (( segid "RN15" and resid 170 and name HN )) (( segid "RN15" and resid 212 and name HA )) 4.100 2.100 1.900 peak 466 spectrum 1 weight 0.10000E+01 volume 0.12457E-02 ppm1 7.681 ppm2 4.006 CV 1 OR { 466} (( segid "RN15" and resid 170 and name HN )) (( segid "RN15" and resid 167 and name HB2 )) OR { 466} (( segid "RN15" and resid 170 and name HN )) (( segid "RN15" and resid 167 and name HB1 )) OR { 466} (( segid "RN15" and resid 170 and name HN )) (( segid "RN15" and resid 211 and name HA )) ASSI { 505} (( segid "RN15" and resid 175 and name HN )) (( segid "RN15" and resid 174 and name HB2 )) 3.300 1.400 1.400 peak 505 spectrum 1 weight 0.10000E+01 volume 0.47276E-02 ppm1 9.542 ppm2 1.818 CV 1 OR { 505} (( segid "RN15" and resid 175 and name HN )) (( segid "RN15" and resid 178 and name HB1 )) ASSI { 506} (( segid "RN15" and resid 175 and name HN )) (( segid "RN15" and resid 174 and name HB1 )) 3.000 1.200 1.200 peak 506 spectrum 1 weight 0.10000E+01 volume 0.17385E-02 ppm1 9.542 ppm2 1.986 CV 1 OR { 506} (( segid "RN15" and resid 175 and name HN )) (( segid "RN15" and resid 173 and name HB1 )) ASSI { 509} (( segid "RN15" and resid 175 and name HN )) (( segid "RN15" and resid 173 and name HG1 )) 4.300 2.300 1.700 peak 509 spectrum 1 weight 0.10000E+01 volume 0.12882E-03 ppm1 9.544 ppm2 2.195 CV 1 OR { 509} (( segid "RN15" and resid 175 and name HN )) (( segid "RN15" and resid 182 and name HB1 )) OR { 509} (( segid "RN15" and resid 175 and name HN )) (( segid "RN15" and resid 181 and name HB1 )) ASSI { 522} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 173 and name HB2 )) 2.800 1.000 1.000 peak 522 spectrum 1 weight 0.10000E+01 volume 0.24013E-02 ppm1 7.130 ppm2 2.616 CV 1 OR { 522} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 177 and name HG2 )) ASSI { 523} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 175 and name HB1 )) 2.300 0.700 0.700 peak 523 spectrum 1 weight 0.10000E+01 volume 0.72038E-02 ppm1 7.129 ppm2 2.046 CV 1 OR { 523} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 172 and name HB1 )) OR { 523} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 177 and name HB2 )) ASSI { 524} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 177 and name HB1 )) 4.500 2.500 1.500 peak 524 spectrum 1 weight 0.10000E+01 volume 0.78419E-03 ppm1 7.131 ppm2 1.809 CV 1 OR { 524} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 174 and name HB2 )) OR { 524} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 179 and name HD2 )) OR { 524} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 179 and name HD1 )) ASSI { 525} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 178 and name HB2 )) 4.100 2.100 1.900 peak 525 spectrum 1 weight 0.10000E+01 volume 0.86295E-03 ppm1 7.126 ppm2 1.436 CV 1 OR { 525} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 174 and name HG2 )) OR { 525} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 172 and name HG2 )) ASSI { 526} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 172 and name HB2 )) 4.400 2.500 1.600 peak 526 spectrum 1 weight 0.10000E+01 volume 0.10781E-02 ppm1 7.129 ppm2 1.583 CV 1 OR { 526} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 179 and name HG2 )) OR { 526} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 172 and name HD1 )) ASSI { 527} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 173 and name HD1 )) 4.800 2.900 1.200 peak 527 spectrum 1 weight 0.10000E+01 volume 0.19511E-03 ppm1 7.142 ppm2 4.164 CV 1 OR { 527} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 179 and name HA )) OR { 527} (( segid "RN15" and resid 176 and name HN )) (( segid "RN15" and resid 170 and name HA )) ASSI { 538} (( segid "RN15" and resid 177 and name HN )) (( segid "RN15" and resid 177 and name HA )) 2.600 0.900 0.900 peak 538 spectrum 1 weight 0.10000E+01 volume 0.45650E-02 ppm1 7.966 ppm2 3.792 CV 1 OR { 538} (( segid "RN15" and resid 177 and name HN )) (( segid "RN15" and resid 174 and name HA )) OR { 538} (( segid "RN15" and resid 177 and name HN )) (( segid "RN15" and resid 176 and name HA )) ASSI { 539} (( segid "RN15" and resid 177 and name HN )) (( segid "RN15" and resid 174 and name HG2 )) 4.800 2.900 1.200 peak 539 spectrum 1 weight 0.10000E+01 volume 0.80418E-03 ppm1 7.966 ppm2 1.389 CV 1 OR { 539} (( segid "RN15" and resid 177 and name HN )) ( segid "RN15" and resid 215 and name HG2%) OR { 539} (( segid "RN15" and resid 177 and name HN )) (( segid "RN15" and resid 181 and name HB2 )) ASSI { 540} (( segid "RN15" and resid 177 and name HN )) (( segid "RN15" and resid 172 and name HD2 )) 4.000 2.000 2.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.17260E-02 ppm1 7.966 ppm2 1.490 CV 1 OR { 540} (( segid "RN15" and resid 177 and name HN )) ( segid "RN15" and resid 170 and name HB% ) ASSI { 577} (( segid "RN15" and resid 178 and name HN )) (( segid "RN15" and resid 174 and name HG1 )) 4.900 3.000 1.100 peak 577 spectrum 1 weight 0.10000E+01 volume 0.64910E-03 ppm1 8.594 ppm2 1.659 CV 1 OR { 577} (( segid "RN15" and resid 178 and name HN )) (( segid "RN15" and resid 179 and name HG1 )) ASSI { 580} (( segid "RN15" and resid 178 and name HN )) ( segid "RN15" and resid 176 and name HG2%) 4.000 2.000 2.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.60535E-03 ppm1 8.599 ppm2 1.127 CV 1 OR { 580} (( segid "RN15" and resid 178 and name HN )) ( segid "RN15" and resid 181 and name HD2%) ASSI { 582} (( segid "RN15" and resid 178 and name HN )) (( segid "RN15" and resid 182 and name HG2 )) 5.400 3.600 0.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.36770E-03 ppm1 8.601 ppm2 2.322 CV 1 OR { 582} (( segid "RN15" and resid 178 and name HN )) (( segid "RN14" and resid 669 and name HB1 )) ASSI { 598} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 176 and name HA )) 3.400 1.500 1.500 peak 598 spectrum 1 weight 0.10000E+01 volume 0.11857E-02 ppm1 7.833 ppm2 3.773 CV 1 OR { 598} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 177 and name HA )) ASSI { 599} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 179 and name HA )) 2.600 0.800 0.800 peak 599 spectrum 1 weight 0.10000E+01 volume 0.47651E-02 ppm1 7.833 ppm2 4.167 CV 1 OR { 599} (( segid "RN15" and resid 196 and name HN )) (( segid "RN15" and resid 193 and name HA )) ASSI { 600} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 179 and name HG1 )) 3.200 1.300 1.300 peak 600 spectrum 1 weight 0.10000E+01 volume 0.48652E-02 ppm1 7.840 ppm2 1.636 CV 1 OR { 600} (( segid "RN15" and resid 165 and name HN )) (( segid "RN15" and resid 161 and name HB2 )) ASSI { 603} (( segid "RN15" and resid 196 and name HN )) (( segid "RN15" and resid 193 and name HG2 )) 3.500 1.600 1.600 peak 603 spectrum 1 weight 0.10000E+01 volume 0.18010E-02 ppm1 7.835 ppm2 2.290 CV 1 OR { 603} (( segid "RN15" and resid 196 and name HN )) (( segid "RN15" and resid 200 and name HB2 )) OR { 603} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 182 and name HG2 )) OR { 603} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 182 and name HB2 )) ASSI { 615} (( segid "RN15" and resid 180 and name HN )) (( segid "RN15" and resid 178 and name HB1 )) 4.100 2.100 1.900 peak 615 spectrum 1 weight 0.10000E+01 volume 0.12507E-02 ppm1 8.098 ppm2 1.830 CV 1 OR { 615} (( segid "RN15" and resid 180 and name HN )) (( segid "RN15" and resid 177 and name HB1 )) OR { 615} (( segid "RN14" and resid 652 and name HN )) (( segid "RN15" and resid 227 and name HB2 )) OR { 615} (( segid "RN15" and resid 180 and name HN )) (( segid "RN14" and resid 632 and name HB2 )) OR { 615} (( segid "RN15" and resid 180 and name HN )) (( segid "RN14" and resid 632 and name HG2 )) OR { 615} (( segid "RN14" and resid 652 and name HN )) (( segid "RN15" and resid 224 and name HB1 )) ASSI { 616} (( segid "RN14" and resid 652 and name HN )) (( segid "RN14" and resid 652 and name HG )) 2.200 0.600 0.600 peak 616 spectrum 1 weight 0.10000E+01 volume 0.18010E-01 ppm1 8.103 ppm2 1.599 CV 1 OR { 616} (( segid "RN14" and resid 652 and name HN )) (( segid "RN14" and resid 652 and name HB2 )) OR { 616} (( segid "RN14" and resid 652 and name HN )) (( segid "RN14" and resid 652 and name HB1 )) OR { 616} (( segid "RN15" and resid 180 and name HN )) (( segid "RN15" and resid 179 and name HG2 )) ASSI { 617} (( segid "RN14" and resid 652 and name HN )) (( segid "RN14" and resid 651 and name HB1 )) 3.700 1.700 1.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.17385E-02 ppm1 8.105 ppm2 3.022 CV 1 OR { 617} (( segid "RN15" and resid 180 and name HN )) (( segid "RN15" and resid 183 and name HE2 )) ASSI { 618} (( segid "RN15" and resid 180 and name HN )) (( segid "RN14" and resid 634 and name HA )) 4.100 2.100 1.900 peak 618 spectrum 1 weight 0.10000E+01 volume 0.15633E-02 ppm1 8.099 ppm2 4.082 CV 1 OR { 618} (( segid "RN14" and resid 652 and name HN )) (( segid "RN15" and resid 206 and name HB2 )) OR { 618} (( segid "RN14" and resid 652 and name HN )) (( segid "RN15" and resid 207 and name HA )) ASSI { 621} (( segid "RN14" and resid 652 and name HN )) ( segid "RN14" and resid 653 and name HD1%) 5.700 4.000 0.300 peak 621 spectrum 1 weight 0.10000E+01 volume 0.35644E-03 ppm1 8.101 ppm2 0.644 CV 1 OR { 621} (( segid "RN15" and resid 180 and name HN )) ( segid "RN14" and resid 635 and name HG2%) OR { 621} (( segid "RN15" and resid 180 and name HN )) ( segid "RN14" and resid 668 and name HD1%) OR { 621} (( segid "RN15" and resid 180 and name HN )) ( segid "RN14" and resid 635 and name HG1%) OR { 621} (( segid "RN15" and resid 180 and name HN )) ( segid "RN15" and resid 205 and name HD1%) ASSI { 622} (( segid "RN14" and resid 652 and name HN )) ( segid "RN14" and resid 653 and name HD2%) 5.100 3.200 0.900 peak 622 spectrum 1 weight 0.10000E+01 volume 0.37646E-03 ppm1 8.103 ppm2 0.720 CV 1 OR { 622} (( segid "RN15" and resid 180 and name HN )) ( segid "RN15" and resid 212 and name HD2%) OR { 622} (( segid "RN15" and resid 180 and name HN )) ( segid "RN15" and resid 208 and name HG1%) ASSI { 623} (( segid "RN15" and resid 180 and name HN )) ( segid "RN15" and resid 176 and name HG1%) 4.500 2.500 1.500 peak 623 spectrum 1 weight 0.10000E+01 volume 0.30267E-03 ppm1 8.101 ppm2 1.043 CV 1 OR { 623} (( segid "RN15" and resid 180 and name HN )) ( segid "RN15" and resid 208 and name HG2%) ASSI { 624} (( segid "RN15" and resid 180 and name HN )) (( segid "RN15" and resid 178 and name HB2 )) 4.700 2.700 1.300 peak 624 spectrum 1 weight 0.10000E+01 volume 0.13132E-03 ppm1 8.111 ppm2 1.435 CV 1 OR { 624} (( segid "RN14" and resid 652 and name HN )) (( segid "RN15" and resid 227 and name HB1 )) OR { 624} (( segid "RN14" and resid 652 and name HN )) (( segid "RN15" and resid 227 and name HG )) OR { 624} (( segid "RN15" and resid 180 and name HN )) (( segid "RN15" and resid 205 and name HG )) ASSI { 625} (( segid "RN15" and resid 180 and name HN )) (( segid "RN15" and resid 181 and name HB1 )) 6.000 5.700 0.000 peak 625 spectrum 1 weight 0.10000E+01 volume 0.99433E-04 ppm1 8.099 ppm2 2.188 CV 1 OR { 625} (( segid "RN15" and resid 180 and name HN )) (( segid "RN14" and resid 632 and name HG1 )) OR { 625} (( segid "RN15" and resid 180 and name HN )) (( segid "RN15" and resid 185 and name HB1 )) ASSI { 627} (( segid "RN15" and resid 180 and name HN )) (( segid "RN15" and resid 177 and name HA )) 3.000 1.100 1.100 peak 627 spectrum 1 weight 0.10000E+01 volume 0.28016E-02 ppm1 8.100 ppm2 3.765 CV 1 OR { 627} (( segid "RN15" and resid 180 and name HN )) (( segid "RN15" and resid 176 and name HA )) ASSI { 637} (( segid "RN15" and resid 181 and name HN )) (( segid "RN15" and resid 178 and name HA )) 3.500 1.500 1.500 peak 637 spectrum 1 weight 0.10000E+01 volume 0.14883E-02 ppm1 7.827 ppm2 4.036 CV 1 OR { 637} (( segid "RN15" and resid 181 and name HN )) (( segid "RN14" and resid 669 and name HD2 )) OR { 637} (( segid "RN15" and resid 181 and name HN )) (( segid "RN15" and resid 212 and name HA )) OR { 637} (( segid "RN15" and resid 181 and name HN )) (( segid "RN15" and resid 213 and name HA )) ASSI { 638} (( segid "RN15" and resid 181 and name HN )) (( segid "RN15" and resid 181 and name HA )) 2.600 0.900 0.900 peak 638 spectrum 1 weight 0.10000E+01 volume 0.38396E-02 ppm1 7.826 ppm2 3.860 CV 1 OR { 638} (( segid "RN15" and resid 181 and name HN )) (( segid "RN15" and resid 180 and name HA )) ASSI { 640} (( segid "RN15" and resid 181 and name HN )) ( segid "RN15" and resid 212 and name HD1%) 4.200 2.200 1.800 peak 640 spectrum 1 weight 0.10000E+01 volume 0.94926E-03 ppm1 7.826 ppm2 0.670 CV 1 OR { 640} (( segid "RN15" and resid 181 and name HN )) ( segid "RN15" and resid 205 and name HD1%) ASSI { 641} (( segid "RN15" and resid 181 and name HN )) (( segid "RN15" and resid 177 and name HB1 )) 4.300 2.300 1.700 peak 641 spectrum 1 weight 0.10000E+01 volume 0.10181E-02 ppm1 7.823 ppm2 1.812 CV 1 OR { 641} (( segid "RN15" and resid 181 and name HN )) (( segid "RN15" and resid 185 and name HB2 )) OR { 641} (( segid "RN15" and resid 181 and name HN )) (( segid "RN14" and resid 632 and name HG2 )) ASSI { 653} (( segid "RN15" and resid 182 and name HN )) (( segid "RN15" and resid 179 and name HA )) 3.300 1.300 1.300 peak 653 spectrum 1 weight 0.10000E+01 volume 0.28766E-02 ppm1 8.711 ppm2 4.150 CV 1 OR { 653} (( segid "RN15" and resid 182 and name HN )) (( segid "RN15" and resid 183 and name HA )) ASSI { 655} (( segid "RN15" and resid 182 and name HN )) (( segid "RN15" and resid 183 and name HG1 )) 4.200 2.200 1.800 peak 655 spectrum 1 weight 0.10000E+01 volume 0.98427E-03 ppm1 8.713 ppm2 1.636 CV 1 OR { 655} (( segid "RN15" and resid 182 and name HN )) (( segid "RN14" and resid 662 and name HG )) ASSI { 657} (( segid "RN15" and resid 182 and name HN )) ( segid "RN15" and resid 181 and name HD1%) 4.400 2.400 1.600 peak 657 spectrum 1 weight 0.10000E+01 volume 0.10556E-02 ppm1 8.712 ppm2 0.917 CV 1 OR { 657} (( segid "RN15" and resid 182 and name HN )) ( segid "RN15" and resid 218 and name HD1%) ASSI { 661} (( segid "RN15" and resid 182 and name HN )) ( segid "RN15" and resid 178 and name HD2%) 5.400 3.600 0.600 peak 661 spectrum 1 weight 0.10000E+01 volume 0.31393E-03 ppm1 8.707 ppm2 0.841 CV 1 OR { 661} (( segid "RN15" and resid 182 and name HN )) ( segid "RN14" and resid 662 and name HD1%) OR { 661} (( segid "RN15" and resid 182 and name HN )) ( segid "RN15" and resid 178 and name HD1%) OR { 661} (( segid "RN15" and resid 182 and name HN )) ( segid "RN15" and resid 213 and name HD2%) ASSI { 662} (( segid "RN15" and resid 182 and name HN )) (( segid "RN15" and resid 185 and name HB2 )) 4.800 2.900 1.200 peak 662 spectrum 1 weight 0.10000E+01 volume 0.27891E-03 ppm1 8.718 ppm2 1.809 CV 1 OR { 662} (( segid "RN15" and resid 182 and name HN )) (( segid "RN15" and resid 177 and name HB1 )) OR { 662} (( segid "RN15" and resid 182 and name HN )) (( segid "RN14" and resid 632 and name HG2 )) OR { 662} (( segid "RN15" and resid 182 and name HN )) (( segid "RN14" and resid 632 and name HB2 )) ASSI { 663} (( segid "RN15" and resid 182 and name HN )) (( segid "RN14" and resid 668 and name HG12)) 5.400 3.700 0.600 peak 663 spectrum 1 weight 0.10000E+01 volume 0.43524E-03 ppm1 8.712 ppm2 1.211 CV 1 OR { 663} (( segid "RN15" and resid 182 and name HN )) ( segid "RN14" and resid 670 and name HG2%) OR { 663} (( segid "RN15" and resid 182 and name HN )) (( segid "RN15" and resid 212 and name HB2 )) ASSI { 664} (( segid "RN15" and resid 182 and name HN )) (( segid "RN15" and resid 179 and name HB1 )) 4.100 2.100 1.900 peak 664 spectrum 1 weight 0.10000E+01 volume 0.11481E-02 ppm1 8.712 ppm2 2.037 CV 1 OR { 664} (( segid "RN15" and resid 182 and name HN )) (( segid "RN15" and resid 177 and name HB2 )) OR { 664} (( segid "RN15" and resid 182 and name HN )) (( segid "RN14" and resid 669 and name HG2 )) OR { 664} (( segid "RN15" and resid 182 and name HN )) (( segid "RN14" and resid 669 and name HG1 )) ASSI { 665} (( segid "RN15" and resid 182 and name HN )) (( segid "RN14" and resid 668 and name HB )) 4.300 2.300 1.700 peak 665 spectrum 1 weight 0.10000E+01 volume 0.88049E-03 ppm1 8.715 ppm2 1.963 CV 1 OR { 665} (( segid "RN15" and resid 182 and name HN )) (( segid "RN15" and resid 179 and name HB2 )) OR { 665} (( segid "RN15" and resid 182 and name HN )) (( segid "RN15" and resid 185 and name HG2 )) ASSI { 689} (( segid "RN15" and resid 183 and name HN )) (( segid "RN15" and resid 183 and name HA )) 2.700 0.900 0.900 peak 689 spectrum 1 weight 0.10000E+01 volume 0.51028E-02 ppm1 8.522 ppm2 4.160 CV 1 OR { 689} (( segid "RN15" and resid 183 and name HN )) (( segid "RN15" and resid 179 and name HA )) OR { 689} (( segid "RN14" and resid 657 and name HN )) (( segid "RN15" and resid 227 and name HA )) ASSI { 690} (( segid "RN15" and resid 183 and name HN )) (( segid "RN15" and resid 178 and name HA )) 4.900 2.900 1.100 peak 690 spectrum 1 weight 0.10000E+01 volume 0.47651E-03 ppm1 8.524 ppm2 4.039 CV 1 OR { 690} (( segid "RN15" and resid 183 and name HN )) (( segid "RN14" and resid 669 and name HD2 )) OR { 690} (( segid "RN14" and resid 657 and name HN )) (( segid "RN15" and resid 206 and name HB2 )) OR { 690} (( segid "RN14" and resid 657 and name HN )) (( segid "RN15" and resid 206 and name HA )) ASSI { 691} (( segid "RN14" and resid 657 and name HN )) (( segid "RN14" and resid 656 and name HA )) 3.000 1.100 1.100 peak 691 spectrum 1 weight 0.10000E+01 volume 0.29641E-02 ppm1 8.523 ppm2 3.864 CV 1 OR { 691} (( segid "RN15" and resid 183 and name HN )) (( segid "RN15" and resid 182 and name HA )) OR { 691} (( segid "RN15" and resid 183 and name HN )) (( segid "RN15" and resid 180 and name HA )) ASSI { 692} (( segid "RN15" and resid 183 and name HN )) (( segid "RN15" and resid 181 and name HN )) 4.800 2.800 1.200 peak 692 spectrum 1 weight 0.10000E+01 volume 0.29016E-03 ppm1 8.518 ppm2 7.818 CV 1 OR { 692} (( segid "RN15" and resid 183 and name HN )) (( segid "RN15" and resid 187 and name HN )) OR { 692} (( segid "RN14" and resid 657 and name HN )) (( segid "RN15" and resid 196 and name HN )) ASSI { 700} (( segid "RN15" and resid 184 and name HN )) (( segid "RN15" and resid 182 and name HB1 )) 4.500 2.600 1.500 peak 700 spectrum 1 weight 0.10000E+01 volume 0.84799E-03 ppm1 8.990 ppm2 2.241 CV 1 OR { 700} (( segid "RN15" and resid 184 and name HN )) (( segid "RN15" and resid 186 and name HB1 )) ASSI { 718} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 181 and name HA )) 3.600 1.600 1.600 peak 718 spectrum 1 weight 0.10000E+01 volume 0.94429E-03 ppm1 8.617 ppm2 3.845 CV 1 OR { 718} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 182 and name HA )) OR { 718} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 188 and name HB )) ASSI { 719} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 185 and name HB1 )) 2.500 0.800 0.800 peak 719 spectrum 1 weight 0.10000E+01 volume 0.39146E-02 ppm1 8.619 ppm2 2.217 CV 1 OR { 719} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 181 and name HB1 )) ASSI { 720} (( segid "RN14" and resid 637 and name HN )) (( segid "RN14" and resid 636 and name HB1 )) 2.500 0.800 0.800 peak 720 spectrum 1 weight 0.10000E+01 volume 0.23763E-01 ppm1 8.615 ppm2 1.948 CV 1 OR { 720} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 185 and name HG2 )) ASSI { 721} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 185 and name HG1 )) 4.000 2.000 2.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.19260E-02 ppm1 8.622 ppm2 2.122 CV 1 OR { 721} (( segid "RN14" and resid 637 and name HN )) (( segid "RN15" and resid 149 and name HG2 )) ASSI { 722} (( segid "RN15" and resid 185 and name HN )) ( segid "RN15" and resid 188 and name HG2%) 4.700 2.700 1.300 peak 722 spectrum 1 weight 0.10000E+01 volume 0.54905E-03 ppm1 8.616 ppm2 0.626 CV 1 OR { 722} (( segid "RN15" and resid 185 and name HN )) ( segid "RN14" and resid 668 and name HD1%) OR { 722} (( segid "RN14" and resid 637 and name HN )) ( segid "RN14" and resid 635 and name HG1%) OR { 722} (( segid "RN15" and resid 185 and name HN )) ( segid "RN14" and resid 635 and name HG2%) OR { 722} (( segid "RN15" and resid 185 and name HN )) ( segid "RN14" and resid 635 and name HG1%) OR { 722} (( segid "RN14" and resid 637 and name HN )) ( segid "RN15" and resid 148 and name HD2%) ASSI { 723} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 182 and name HG2 )) 4.900 3.000 1.100 peak 723 spectrum 1 weight 0.10000E+01 volume 0.54405E-03 ppm1 8.620 ppm2 2.347 CV 1 OR { 723} (( segid "RN14" and resid 637 and name HN )) (( segid "RN15" and resid 149 and name HB2 )) ASSI { 725} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 183 and name HA )) 4.900 3.000 1.100 peak 725 spectrum 1 weight 0.10000E+01 volume 0.21387E-03 ppm1 8.613 ppm2 4.166 CV 1 OR { 725} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 209 and name HG1 )) ASSI { 736} (( segid "RN15" and resid 185 and name HE21)) ( segid "RN14" and resid 662 and name HD1%) 3.600 1.600 1.600 peak 736 spectrum 1 weight 0.10000E+01 volume 0.70536E-03 ppm1 6.415 ppm2 0.843 CV 1 OR { 736} (( segid "RN15" and resid 185 and name HE21)) ( segid "RN15" and resid 213 and name HD2%) ASSI { 737} (( segid "RN15" and resid 185 and name HE21)) (( segid "RN14" and resid 668 and name HG11)) 4.800 2.900 1.200 peak 737 spectrum 1 weight 0.10000E+01 volume 0.40272E-03 ppm1 6.418 ppm2 1.351 CV 1 OR { 737} (( segid "RN15" and resid 185 and name HE21)) (( segid "RN15" and resid 189 and name HG1 )) ASSI { 738} (( segid "RN15" and resid 185 and name HE21)) (( segid "RN14" and resid 662 and name HG )) 4.000 2.000 2.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.36520E-03 ppm1 6.420 ppm2 1.626 CV 1 OR { 738} (( segid "RN15" and resid 185 and name HE21)) (( segid "RN15" and resid 189 and name HB1 )) ASSI { 739} (( segid "RN15" and resid 185 and name HE22)) (( segid "RN14" and resid 662 and name HG )) 6.000 5.500 0.000 peak 739 spectrum 1 weight 0.10000E+01 volume 0.11031E-03 ppm1 8.488 ppm2 1.626 CV 1 OR { 739} (( segid "RN15" and resid 185 and name HE22)) (( segid "RN15" and resid 189 and name HB1 )) ASSI { 755} (( segid "RN15" and resid 186 and name HN )) (( segid "RN15" and resid 185 and name HG2 )) 3.600 1.600 1.600 peak 755 spectrum 1 weight 0.10000E+01 volume 0.11607E-02 ppm1 7.984 ppm2 1.967 CV 1 OR { 755} (( segid "RN15" and resid 186 and name HN )) (( segid "RN15" and resid 189 and name HG2 )) ASSI { 758} (( segid "RN15" and resid 186 and name HN )) ( segid "RN15" and resid 188 and name HG2%) 5.000 3.200 1.000 peak 758 spectrum 1 weight 0.10000E+01 volume 0.34144E-03 ppm1 7.976 ppm2 0.609 CV 1 OR { 758} (( segid "RN15" and resid 186 and name HN )) ( segid "RN14" and resid 668 and name HD1%) OR { 758} (( segid "RN15" and resid 186 and name HN )) ( segid "RN14" and resid 635 and name HG2%) ASSI { 777} (( segid "RN15" and resid 187 and name HN )) ( segid "RN15" and resid 188 and name HG2%) 3.400 1.400 1.400 peak 777 spectrum 1 weight 0.10000E+01 volume 0.47401E-02 ppm1 7.800 ppm2 0.605 CV 1 OR { 777} (( segid "RN15" and resid 172 and name HN )) ( segid "RN15" and resid 169 and name HD2%) OR { 777} (( segid "RN15" and resid 187 and name HN )) ( segid "RN14" and resid 635 and name HG2%) ASSI { 778} (( segid "RN15" and resid 187 and name HN )) (( segid "RN15" and resid 183 and name HA )) 5.000 3.100 1.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.29641E-03 ppm1 7.792 ppm2 4.148 CV 1 OR { 778} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 170 and name HA )) OR { 778} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 173 and name HD1 )) ASSI { 779} (( segid "RN15" and resid 187 and name HN )) ( segid "RN15" and resid 184 and name HD% ) 4.400 2.400 1.600 peak 779 spectrum 1 weight 0.10000E+01 volume 0.77042E-03 ppm1 7.801 ppm2 7.032 CV 1 OR { 779} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 177 and name HE21)) ASSI { 783} (( segid "RN15" and resid 187 and name HN )) (( segid "RN15" and resid 189 and name HE )) 6.000 4.800 0.000 peak 783 spectrum 1 weight 0.10000E+01 volume 0.11619E-03 ppm1 7.805 ppm2 7.210 CV 1 OR { 783} (( segid "RN15" and resid 187 and name HN )) ( segid "RN15" and resid 184 and name HE% ) ASSI { 784} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 174 and name HA )) 6.000 5.400 0.000 peak 784 spectrum 1 weight 0.10000E+01 volume 0.91299E-04 ppm1 7.801 ppm2 3.789 CV 1 OR { 784} (( segid "RN15" and resid 187 and name HN )) (( segid "RN15" and resid 189 and name HA )) OR { 784} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 177 and name HA )) OR { 784} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 176 and name HA )) ASSI { 796} (( segid "RN15" and resid 187 and name HE1 )) (( segid "RN14" and resid 631 and name HN )) 5.600 3.900 0.400 peak 796 spectrum 1 weight 0.10000E+01 volume 0.12882E-03 ppm1 9.812 ppm2 8.366 CV 1 OR { 796} (( segid "RN15" and resid 187 and name HE1 )) (( segid "RN14" and resid 630 and name HN )) ASSI { 814} (( segid "RN15" and resid 188 and name HN )) (( segid "RN15" and resid 185 and name HB2 )) 4.600 2.700 1.400 peak 814 spectrum 1 weight 0.10000E+01 volume 0.75917E-03 ppm1 9.689 ppm2 1.806 CV 1 OR { 814} (( segid "RN15" and resid 188 and name HN )) (( segid "RN15" and resid 191 and name HB2 )) ASSI { 815} (( segid "RN15" and resid 188 and name HN )) (( segid "RN15" and resid 185 and name HG2 )) 4.700 2.800 1.300 peak 815 spectrum 1 weight 0.10000E+01 volume 0.59032E-03 ppm1 9.692 ppm2 1.987 CV 1 OR { 815} (( segid "RN15" and resid 188 and name HN )) (( segid "RN15" and resid 189 and name HG2 )) OR { 815} (( segid "RN15" and resid 188 and name HN )) (( segid "RN15" and resid 199 and name HG )) OR { 815} (( segid "RN15" and resid 188 and name HN )) (( segid "RN15" and resid 192 and name HG1 )) ASSI { 816} (( segid "RN15" and resid 188 and name HN )) ( segid "RN14" and resid 659 and name HG1%) 5.700 4.000 0.300 peak 816 spectrum 1 weight 0.10000E+01 volume 0.30017E-03 ppm1 9.674 ppm2 0.917 CV 1 OR { 816} (( segid "RN15" and resid 188 and name HN )) ( segid "RN15" and resid 199 and name HD2%) ASSI { 817} (( segid "RN15" and resid 188 and name HN )) ( segid "RN15" and resid 195 and name HB% ) 6.000 4.600 0.000 peak 817 spectrum 1 weight 0.10000E+01 volume 0.19135E-03 ppm1 9.677 ppm2 1.363 CV 1 OR { 817} (( segid "RN15" and resid 188 and name HN )) (( segid "RN15" and resid 189 and name HG1 )) ASSI { 835} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 188 and name HA )) 3.800 1.800 1.800 peak 835 spectrum 1 weight 0.10000E+01 volume 0.61157E-03 ppm1 8.228 ppm2 3.196 CV 1 OR { 835} (( segid "RN15" and resid 194 and name HN )) (( segid "RN15" and resid 188 and name HA )) ASSI { 836} (( segid "RN15" and resid 194 and name HN )) (( segid "RN15" and resid 194 and name HB2 )) 3.200 1.300 1.300 peak 836 spectrum 1 weight 0.10000E+01 volume 0.12507E-02 ppm1 8.220 ppm2 2.978 CV 1 OR { 836} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 189 and name HD1 )) OR { 836} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 189 and name HD2 )) ASSI { 838} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 191 and name HN )) 4.000 2.000 2.000 peak 838 spectrum 1 weight 0.10000E+01 volume 0.11631E-02 ppm1 8.229 ppm2 7.410 CV 1 OR { 838} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 187 and name HE3 )) ASSI { 839} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 187 and name HN )) 5.100 3.200 0.900 peak 839 spectrum 1 weight 0.10000E+01 volume 0.18010E-03 ppm1 8.232 ppm2 7.802 CV 1 OR { 839} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 196 and name HN )) ASSI { 840} (( segid "RN15" and resid 194 and name HN )) (( segid "RN15" and resid 192 and name HA )) 4.300 2.300 1.700 peak 840 spectrum 1 weight 0.10000E+01 volume 0.84673E-03 ppm1 8.222 ppm2 4.296 CV 1 OR { 840} (( segid "RN15" and resid 189 and name HN )) (( segid "RN14" and resid 663 and name HA )) OR { 840} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 192 and name HA )) ASSI { 841} (( segid "RN15" and resid 194 and name HN )) (( segid "RN15" and resid 193 and name HG2 )) 6.000 4.900 0.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.10631E-03 ppm1 8.220 ppm2 2.301 CV 1 OR { 841} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 186 and name HB2 )) ASSI { 842} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 185 and name HG1 )) 4.700 2.700 1.300 peak 842 spectrum 1 weight 0.10000E+01 volume 0.47902E-03 ppm1 8.223 ppm2 2.150 CV 1 OR { 842} (( segid "RN15" and resid 194 and name HN )) (( segid "RN14" and resid 659 and name HB )) OR { 842} (( segid "RN15" and resid 189 and name HN )) (( segid "RN14" and resid 659 and name HB )) ASSI { 843} (( segid "RN15" and resid 194 and name HN )) ( segid "RN14" and resid 659 and name HG1%) 5.900 4.300 0.100 peak 843 spectrum 1 weight 0.10000E+01 volume 0.11781E-03 ppm1 8.226 ppm2 0.922 CV 1 OR { 843} (( segid "RN15" and resid 189 and name HN )) ( segid "RN14" and resid 659 and name HG1%) ASSI { 873} (( segid "RN15" and resid 190 and name HN )) (( segid "RN15" and resid 189 and name HD2 )) 5.600 3.900 0.400 peak 873 spectrum 1 weight 0.10000E+01 volume 0.45650E-03 ppm1 6.923 ppm2 2.956 CV 1 OR { 873} (( segid "RN15" and resid 190 and name HN )) (( segid "RN15" and resid 189 and name HD1 )) OR { 873} (( segid "RN15" and resid 190 and name HN )) (( segid "RN15" and resid 194 and name HB2 )) ASSI { 888} (( segid "RN15" and resid 191 and name HN )) ( segid "RN15" and resid 195 and name HB% ) 3.800 1.800 1.800 peak 888 spectrum 1 weight 0.10000E+01 volume 0.17135E-02 ppm1 7.440 ppm2 1.383 CV 1 OR { 888} (( segid "RN15" and resid 227 and name HN )) (( segid "RN14" and resid 658 and name HB2 )) OR { 888} (( segid "RN15" and resid 227 and name HN )) (( segid "RN15" and resid 224 and name HB2 )) ASSI { 889} (( segid "RN15" and resid 191 and name HN )) (( segid "RN15" and resid 187 and name HA )) 5.200 3.400 0.800 peak 889 spectrum 1 weight 0.10000E+01 volume 0.32393E-03 ppm1 7.433 ppm2 4.412 CV 1 OR { 889} (( segid "RN15" and resid 227 and name HN )) (( segid "RN14" and resid 653 and name HA )) OR { 889} (( segid "RN15" and resid 227 and name HN )) (( segid "RN15" and resid 223 and name HA )) OR { 889} (( segid "RN15" and resid 191 and name HN )) (( segid "RN15" and resid 195 and name HA )) ASSI { 890} (( segid "RN15" and resid 191 and name HN )) (( segid "RN15" and resid 188 and name HA )) 2.600 0.900 0.900 peak 890 spectrum 1 weight 0.10000E+01 volume 0.40397E-02 ppm1 7.435 ppm2 3.230 CV 1 OR { 890} (( segid "RN15" and resid 227 and name HN )) (( segid "RN14" and resid 661 and name HB1 )) ASSI { 908} (( segid "RN15" and resid 193 and name HN )) (( segid "RN15" and resid 196 and name HN )) 5.400 3.700 0.600 peak 908 spectrum 1 weight 0.10000E+01 volume 0.10894E-03 ppm1 8.263 ppm2 7.833 CV 1 OR { 908} (( segid "RN15" and resid 193 and name HN )) (( segid "RN15" and resid 197 and name HN )) ASSI { 922} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 189 and name HG1 )) 3.000 1.100 1.100 peak 922 spectrum 1 weight 0.10000E+01 volume 0.16259E-02 ppm1 8.197 ppm2 1.382 CV 1 OR { 922} (( segid "RN15" and resid 194 and name HN )) ( segid "RN15" and resid 195 and name HB% ) OR { 922} (( segid "RN15" and resid 189 and name HN )) ( segid "RN15" and resid 195 and name HB% ) ASSI { 923} (( segid "RN15" and resid 194 and name HN )) (( segid "RN14" and resid 656 and name HE21)) 4.400 2.400 1.600 peak 923 spectrum 1 weight 0.10000E+01 volume 0.91550E-03 ppm1 8.208 ppm2 7.502 CV 1 OR { 923} (( segid "RN15" and resid 194 and name HN )) (( segid "RN15" and resid 187 and name HZ2 )) OR { 923} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 187 and name HZ2 )) ASSI { 925} (( segid "RN15" and resid 194 and name HN )) (( segid "RN15" and resid 195 and name HA )) 5.200 3.400 0.800 peak 925 spectrum 1 weight 0.10000E+01 volume 0.37646E-03 ppm1 8.202 ppm2 4.375 CV 1 OR { 925} (( segid "RN15" and resid 194 and name HN )) (( segid "RN15" and resid 197 and name HA )) OR { 925} (( segid "RN15" and resid 189 and name HN )) (( segid "RN15" and resid 195 and name HA )) ASSI { 939} (( segid "RN15" and resid 195 and name HN )) ( segid "RN15" and resid 196 and name HB% ) 3.800 1.800 1.800 peak 939 spectrum 1 weight 0.10000E+01 volume 0.19636E-02 ppm1 8.685 ppm2 1.486 CV 1 OR { 939} (( segid "RN15" and resid 195 and name HN )) (( segid "RN15" and resid 198 and name HB2 )) ASSI { 940} (( segid "RN15" and resid 195 and name HN )) ( segid "RN14" and resid 659 and name HG2%) 4.300 2.300 1.700 peak 940 spectrum 1 weight 0.10000E+01 volume 0.10943E-02 ppm1 8.683 ppm2 0.971 CV 1 OR { 940} (( segid "RN15" and resid 195 and name HN )) ( segid "RN15" and resid 199 and name HD1%) OR { 940} (( segid "RN15" and resid 195 and name HN )) ( segid "RN15" and resid 141 and name HD2%) ASSI { 941} (( segid "RN15" and resid 195 and name HN )) ( segid "RN15" and resid 188 and name HG2%) 5.200 3.400 0.800 peak 941 spectrum 1 weight 0.10000E+01 volume 0.86050E-03 ppm1 8.683 ppm2 0.619 CV 1 OR { 941} (( segid "RN15" and resid 195 and name HN )) ( segid "RN15" and resid 205 and name HD2%) ASSI { 943} (( segid "RN15" and resid 195 and name HN )) (( segid "RN15" and resid 193 and name HB1 )) 4.400 2.400 1.600 peak 943 spectrum 1 weight 0.10000E+01 volume 0.12257E-03 ppm1 8.685 ppm2 2.101 CV 1 OR { 943} (( segid "RN15" and resid 195 and name HN )) (( segid "RN15" and resid 200 and name HB1 )) ASSI { 944} (( segid "RN15" and resid 195 and name HN )) (( segid "RN15" and resid 193 and name HB2 )) 4.300 2.300 1.700 peak 944 spectrum 1 weight 0.10000E+01 volume 0.59661E-03 ppm1 8.679 ppm2 1.957 CV 1 OR { 944} (( segid "RN15" and resid 195 and name HN )) (( segid "RN15" and resid 192 and name HB1 )) OR { 944} (( segid "RN15" and resid 195 and name HN )) (( segid "RN15" and resid 192 and name HB2 )) OR { 944} (( segid "RN15" and resid 195 and name HN )) (( segid "RN15" and resid 192 and name HG1 )) ASSI { 963} (( segid "RN15" and resid 196 and name HN )) (( segid "RN15" and resid 193 and name HN )) 4.400 2.400 1.600 peak 963 spectrum 1 weight 0.10000E+01 volume 0.68788E-03 ppm1 7.810 ppm2 8.231 CV 1 OR { 963} (( segid "RN15" and resid 196 and name HN )) (( segid "RN14" and resid 659 and name HN )) ASSI { 964} (( segid "RN15" and resid 196 and name HN )) (( segid "RN15" and resid 197 and name HA )) 4.400 2.400 1.600 peak 964 spectrum 1 weight 0.10000E+01 volume 0.10806E-02 ppm1 7.809 ppm2 4.366 CV 1 OR { 964} (( segid "RN15" and resid 179 and name HN )) (( segid "RN14" and resid 670 and name HA )) OR { 964} (( segid "RN15" and resid 196 and name HN )) (( segid "RN14" and resid 660 and name HA )) ASSI { 965} (( segid "RN15" and resid 179 and name HN )) (( segid "RN15" and resid 179 and name HA )) 3.100 1.200 1.200 peak 965 spectrum 1 weight 0.10000E+01 volume 0.18260E-02 ppm1 7.807 ppm2 4.187 CV 1 OR { 965} (( segid "RN15" and resid 172 and name HN )) (( segid "RN15" and resid 171 and name HA )) OR { 965} (( segid "RN15" and resid 196 and name HN )) (( segid "RN15" and resid 193 and name HA )) ASSI { 966} (( segid "RN15" and resid 196 and name HN )) ( segid "RN14" and resid 659 and name HG2%) 2.600 0.900 0.900 peak 966 spectrum 1 weight 0.10000E+01 volume 0.38271E-02 ppm1 7.810 ppm2 1.000 CV 1 OR { 966} (( segid "RN15" and resid 196 and name HN )) ( segid "RN15" and resid 199 and name HD1%) ASSI { 968} (( segid "RN15" and resid 196 and name HN )) ( segid "RN14" and resid 659 and name HG1%) 3.200 1.300 1.300 peak 968 spectrum 1 weight 0.10000E+01 volume 0.20261E-02 ppm1 7.808 ppm2 0.939 CV 1 OR { 968} (( segid "RN15" and resid 179 and name HN )) ( segid "RN15" and resid 181 and name HD1%) ASSI { 975} (( segid "RN15" and resid 197 and name HN )) ( segid "RN14" and resid 659 and name HG2%) 4.800 2.800 1.200 peak 975 spectrum 1 weight 0.10000E+01 volume 0.74666E-03 ppm1 7.836 ppm2 0.983 CV 1 OR { 975} (( segid "RN15" and resid 197 and name HN )) ( segid "RN15" and resid 199 and name HD1%) OR { 975} (( segid "RN15" and resid 197 and name HN )) ( segid "RN15" and resid 141 and name HD2%) ASSI { 976} (( segid "RN15" and resid 197 and name HN )) (( segid "RN15" and resid 192 and name HA )) 4.900 3.000 1.100 peak 976 spectrum 1 weight 0.10000E+01 volume 0.44650E-03 ppm1 7.836 ppm2 4.261 CV 1 OR { 976} (( segid "RN15" and resid 197 and name HN )) (( segid "RN15" and resid 201 and name HA )) ASSI { 979} (( segid "RN15" and resid 197 and name HN )) (( segid "RN15" and resid 194 and name HB2 )) 4.400 2.500 1.600 peak 979 spectrum 1 weight 0.10000E+01 volume 0.10793E-03 ppm1 7.837 ppm2 2.950 CV 1 OR { 979} (( segid "RN15" and resid 197 and name HN )) (( segid "RN14" and resid 663 and name HB2 )) OR { 979} (( segid "RN15" and resid 197 and name HN )) (( segid "RN14" and resid 660 and name HB2 )) ASSI { 980} (( segid "RN15" and resid 197 and name HN )) (( segid "RN15" and resid 145 and name HZ )) 4.600 2.700 1.400 peak 980 spectrum 1 weight 0.10000E+01 volume 0.68040E-03 ppm1 7.839 ppm2 7.558 CV 1 OR { 980} (( segid "RN15" and resid 197 and name HN )) (( segid "RN15" and resid 187 and name HZ2 )) ASSI { 991} (( segid "RN15" and resid 198 and name HN )) (( segid "RN15" and resid 145 and name HZ )) 4.600 2.600 1.400 peak 991 spectrum 1 weight 0.10000E+01 volume 0.80920E-03 ppm1 8.790 ppm2 7.548 CV 1 OR { 991} (( segid "RN15" and resid 198 and name HN )) (( segid "RN15" and resid 187 and name HZ2 )) ASSI { 993} (( segid "RN15" and resid 198 and name HN )) ( segid "RN15" and resid 141 and name HD2%) 4.700 2.800 1.300 peak 993 spectrum 1 weight 0.10000E+01 volume 0.69040E-03 ppm1 8.787 ppm2 0.985 CV 1 OR { 993} (( segid "RN15" and resid 198 and name HN )) ( segid "RN14" and resid 659 and name HG2%) OR { 993} (( segid "RN15" and resid 198 and name HN )) ( segid "RN15" and resid 199 and name HD1%) OR { 993} (( segid "RN15" and resid 198 and name HN )) ( segid "RN15" and resid 141 and name HD1%) ASSI { 995} (( segid "RN15" and resid 198 and name HN )) (( segid "RN15" and resid 194 and name HB2 )) 3.700 1.700 1.700 peak 995 spectrum 1 weight 0.10000E+01 volume 0.26515E-03 ppm1 8.782 ppm2 2.924 CV 1 OR { 995} (( segid "RN15" and resid 198 and name HN )) (( segid "RN14" and resid 660 and name HB2 )) ASSI { 1015} (( segid "RN15" and resid 199 and name HN )) (( segid "RN15" and resid 199 and name HA )) 2.500 0.800 0.800 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.43024E-02 ppm1 8.186 ppm2 3.963 CV 1 OR { 1015} (( segid "RN15" and resid 199 and name HN )) (( segid "RN15" and resid 196 and name HA )) ASSI { 1017} (( segid "RN15" and resid 199 and name HN )) (( segid "RN15" and resid 205 and name HB2 )) 3.700 3.700 2.300 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.45900E-02 ppm1 8.187 ppm2 1.861 CV 1 OR { 1017} (( segid "RN15" and resid 199 and name HN )) (( segid "RN15" and resid 201 and name HB2 )) OR { 1017} (( segid "RN15" and resid 199 and name HN )) (( segid "RN15" and resid 148 and name HG )) OR { 1017} (( segid "RN15" and resid 199 and name HN )) (( segid "RN14" and resid 639 and name HB1 )) ASSI { 1018} (( segid "RN15" and resid 199 and name HN )) ( segid "RN15" and resid 199 and name HD1%) 3.400 1.400 1.400 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.42899E-02 ppm1 8.187 ppm2 0.980 CV 1 OR { 1018} (( segid "RN15" and resid 199 and name HN )) ( segid "RN14" and resid 659 and name HG2%) ASSI { 1019} (( segid "RN15" and resid 199 and name HN )) ( segid "RN15" and resid 198 and name HD2%) 3.700 1.700 1.700 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.21762E-02 ppm1 8.187 ppm2 0.668 CV 1 OR { 1019} (( segid "RN15" and resid 199 and name HN )) ( segid "RN15" and resid 205 and name HD1%) ASSI { 1022} (( segid "RN15" and resid 199 and name HN )) (( segid "RN15" and resid 202 and name HB2 )) 4.700 2.800 1.300 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.34519E-03 ppm1 8.184 ppm2 2.447 CV 1 OR { 1022} (( segid "RN15" and resid 199 and name HN )) (( segid "RN14" and resid 656 and name HG1 )) ASSI { 1023} (( segid "RN15" and resid 199 and name HN )) (( segid "RN15" and resid 195 and name HA )) 4.200 2.200 1.800 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.67286E-03 ppm1 8.184 ppm2 4.370 CV 1 OR { 1023} (( segid "RN15" and resid 199 and name HN )) (( segid "RN15" and resid 197 and name HA )) ASSI { 1036} (( segid "RN15" and resid 200 and name HN )) ( segid "RN14" and resid 655 and name HB% ) 2.800 1.000 1.000 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.23138E-02 ppm1 7.855 ppm2 1.555 CV 1 OR { 1036} (( segid "RN15" and resid 200 and name HN )) (( segid "RN15" and resid 199 and name HB2 )) ASSI { 1037} (( segid "RN15" and resid 200 and name HN )) (( segid "RN15" and resid 201 and name HB2 )) 4.400 2.400 1.600 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.12219E-02 ppm1 7.853 ppm2 1.860 CV 1 OR { 1037} (( segid "RN15" and resid 200 and name HN )) (( segid "RN15" and resid 205 and name HB2 )) ASSI { 1038} (( segid "RN15" and resid 200 and name HN )) (( segid "RN15" and resid 199 and name HG )) 4.800 2.800 1.200 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.65538E-03 ppm1 7.853 ppm2 1.981 CV 1 OR { 1038} (( segid "RN15" and resid 165 and name HN )) (( segid "RN15" and resid 168 and name HB1 )) OR { 1038} (( segid "RN15" and resid 165 and name HN )) (( segid "RN14" and resid 642 and name HB )) OR { 1038} (( segid "RN15" and resid 165 and name HN )) (( segid "RN15" and resid 168 and name HB2 )) ASSI { 1039} (( segid "RN15" and resid 165 and name HN )) (( segid "RN15" and resid 164 and name HB2 )) 2.400 0.700 0.700 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.55781E-02 ppm1 7.859 ppm2 2.142 CV 1 OR { 1039} (( segid "RN15" and resid 200 and name HN )) (( segid "RN15" and resid 200 and name HB1 )) ASSI { 1040} (( segid "RN15" and resid 165 and name HN )) (( segid "RN15" and resid 165 and name HG12)) 5.500 3.800 0.500 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.13507E-03 ppm1 7.855 ppm2 0.978 CV 1 OR { 1040} (( segid "RN15" and resid 200 and name HN )) ( segid "RN15" and resid 199 and name HD1%) OR { 1040} (( segid "RN15" and resid 200 and name HN )) ( segid "RN14" and resid 659 and name HG2%) ASSI { 1041} (( segid "RN15" and resid 200 and name HN )) (( segid "RN15" and resid 198 and name HA )) 3.200 1.300 1.300 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.11319E-02 ppm1 7.850 ppm2 3.823 CV 1 OR { 1041} (( segid "RN15" and resid 165 and name HN )) (( segid "RN14" and resid 639 and name HA )) ASSI { 1042} (( segid "RN15" and resid 200 and name HN )) (( segid "RN15" and resid 199 and name HA )) 4.300 2.300 1.700 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.33644E-03 ppm1 7.856 ppm2 3.963 CV 1 OR { 1042} (( segid "RN15" and resid 165 and name HN )) (( segid "RN15" and resid 162 and name HA )) OR { 1042} (( segid "RN15" and resid 200 and name HN )) (( segid "RN15" and resid 196 and name HA )) OR { 1042} (( segid "RN15" and resid 165 and name HN )) (( segid "RN15" and resid 166 and name HB1 )) OR { 1042} (( segid "RN15" and resid 165 and name HN )) (( segid "RN15" and resid 166 and name HB2 )) ASSI { 1051} (( segid "RN15" and resid 201 and name HN )) ( segid "RN14" and resid 655 and name HB% ) 3.000 1.100 1.100 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.27891E-02 ppm1 7.772 ppm2 1.551 CV 1 OR { 1051} (( segid "RN15" and resid 201 and name HN )) (( segid "RN15" and resid 199 and name HB2 )) ASSI { 1052} (( segid "RN15" and resid 201 and name HN )) ( segid "RN15" and resid 198 and name HD1%) 4.800 2.800 1.200 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.44275E-03 ppm1 7.779 ppm2 0.264 CV 1 OR { 1052} (( segid "RN15" and resid 144 and name HN )) ( segid "RN15" and resid 198 and name HD1%) ASSI { 1066} (( segid "RN15" and resid 202 and name HN )) ( segid "RN15" and resid 141 and name HD1%) 3.800 1.800 1.800 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.23388E-02 ppm1 8.346 ppm2 0.981 CV 1 OR { 1066} (( segid "RN15" and resid 202 and name HN )) ( segid "RN15" and resid 201 and name HD2%) ASSI { 1067} (( segid "RN15" and resid 202 and name HN )) ( segid "RN15" and resid 198 and name HD2%) 5.200 3.400 0.800 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.29016E-03 ppm1 8.347 ppm2 0.693 CV 1 OR { 1067} (( segid "RN15" and resid 202 and name HN )) ( segid "RN15" and resid 208 and name HG1%) ASSI { 1087} (( segid "RN15" and resid 204 and name HN )) (( segid "RN15" and resid 204 and name HG2 )) 6.000 4.500 0.000 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 10.715 ppm2 1.973 CV 1 OR { 1087} (( segid "RN15" and resid 204 and name HN )) (( segid "RN15" and resid 203 and name HB2 )) OR { 1087} (( segid "RN15" and resid 204 and name HN )) (( segid "RN14" and resid 642 and name HB )) ASSI { 1089} (( segid "RN15" and resid 204 and name HE21)) ( segid "RN14" and resid 639 and name HD2%) 4.400 2.400 1.600 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.39522E-03 ppm1 7.893 ppm2 0.850 CV 1 OR { 1089} (( segid "RN15" and resid 204 and name HE21)) ( segid "RN14" and resid 642 and name HG2%) ASSI { 1090} (( segid "RN15" and resid 204 and name HE21)) (( segid "RN15" and resid 204 and name HG2 )) 4.200 2.200 1.800 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.36020E-03 ppm1 7.891 ppm2 1.977 CV 1 OR { 1090} (( segid "RN15" and resid 204 and name HE21)) (( segid "RN14" and resid 642 and name HB )) OR { 1090} (( segid "RN15" and resid 204 and name HE21)) (( segid "RN15" and resid 149 and name HG1 )) ASSI { 1091} (( segid "RN15" and resid 204 and name HE22)) ( segid "RN14" and resid 639 and name HD2%) 4.000 2.000 2.000 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.91550E-03 ppm1 6.602 ppm2 0.862 CV 1 OR { 1091} (( segid "RN15" and resid 204 and name HE22)) ( segid "RN14" and resid 642 and name HG2%) ASSI { 1092} (( segid "RN15" and resid 204 and name HE22)) (( segid "RN15" and resid 204 and name HG2 )) 4.500 2.500 1.500 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.78293E-03 ppm1 6.584 ppm2 1.974 CV 1 OR { 1092} (( segid "RN15" and resid 204 and name HE22)) (( segid "RN15" and resid 149 and name HG1 )) ASSI { 1097} (( segid "RN15" and resid 205 and name HN )) ( segid "RN14" and resid 639 and name HD2%) 3.900 1.900 1.900 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.16259E-02 ppm1 8.162 ppm2 0.891 CV 1 OR { 1097} (( segid "RN15" and resid 205 and name HN )) ( segid "RN15" and resid 199 and name HD2%) ASSI { 1098} (( segid "RN15" and resid 205 and name HN )) (( segid "RN15" and resid 204 and name HG2 )) 2.500 0.800 0.800 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.18385E-02 ppm1 8.157 ppm2 1.990 CV 1 OR { 1098} (( segid "RN15" and resid 205 and name HN )) (( segid "RN15" and resid 199 and name HG )) ASSI { 1099} (( segid "RN15" and resid 205 and name HN )) (( segid "RN14" and resid 642 and name HG12)) 6.000 5.600 0.000 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.21887E-03 ppm1 8.158 ppm2 1.344 CV 1 OR { 1099} (( segid "RN15" and resid 205 and name HN )) (( segid "RN14" and resid 638 and name HG )) ASSI { 1101} (( segid "RN15" and resid 205 and name HN )) (( segid "RN15" and resid 204 and name HE21)) 5.000 3.200 1.000 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.35895E-03 ppm1 8.159 ppm2 7.873 CV 1 OR { 1101} (( segid "RN15" and resid 205 and name HN )) (( segid "RN15" and resid 209 and name HN )) ASSI { 1112} (( segid "RN15" and resid 206 and name HN )) ( segid "RN15" and resid 205 and name HD2%) 4.600 2.700 1.400 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.12131E-02 ppm1 7.637 ppm2 0.638 CV 1 OR { 1112} (( segid "RN15" and resid 206 and name HN )) ( segid "RN15" and resid 205 and name HD1%) OR { 1112} (( segid "RN15" and resid 206 and name HN )) ( segid "RN14" and resid 635 and name HG1%) ASSI { 1113} (( segid "RN15" and resid 206 and name HN )) (( segid "RN15" and resid 206 and name HB2 )) 2.800 1.000 1.000 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.26139E-02 ppm1 7.641 ppm2 4.072 CV 1 OR { 1113} (( segid "RN15" and resid 206 and name HN )) (( segid "RN15" and resid 205 and name HA )) ASSI { 1126} (( segid "RN15" and resid 207 and name HN )) ( segid "RN15" and resid 199 and name HD2%) 4.500 2.500 1.500 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.48027E-03 ppm1 7.490 ppm2 0.889 CV 1 OR { 1126} (( segid "RN15" and resid 207 and name HN )) ( segid "RN15" and resid 165 and name HG2%) OR { 1126} (( segid "RN15" and resid 207 and name HN )) ( segid "RN15" and resid 165 and name HD1%) OR { 1126} (( segid "RN15" and resid 207 and name HN )) ( segid "RN14" and resid 642 and name HG2%) OR { 1126} (( segid "RN15" and resid 207 and name HN )) ( segid "RN14" and resid 639 and name HD2%) ASSI { 1127} (( segid "RN15" and resid 207 and name HN )) ( segid "RN14" and resid 653 and name HD1%) 4.200 2.300 1.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.68160E-03 ppm1 7.491 ppm2 0.668 CV 1 OR { 1127} (( segid "RN15" and resid 207 and name HN )) ( segid "RN15" and resid 205 and name HD1%) ASSI { 1128} (( segid "RN15" and resid 207 and name HN )) ( segid "RN15" and resid 210 and name HB% ) 6.000 6.000 0.000 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.84673E-05 ppm1 7.494 ppm2 1.363 CV 1 OR { 1128} (( segid "RN15" and resid 207 and name HN )) (( segid "RN14" and resid 658 and name HB2 )) OR { 1128} (( segid "RN15" and resid 207 and name HN )) (( segid "RN14" and resid 638 and name HG )) ASSI { 1129} (( segid "RN15" and resid 207 and name HN )) (( segid "RN15" and resid 208 and name HB )) 4.900 3.000 1.100 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.48777E-03 ppm1 7.482 ppm2 2.102 CV 1 OR { 1129} (( segid "RN15" and resid 207 and name HN )) (( segid "RN15" and resid 211 and name HG2 )) OR { 1129} (( segid "RN15" and resid 207 and name HN )) (( segid "RN15" and resid 211 and name HG1 )) ASSI { 1130} (( segid "RN15" and resid 207 and name HN )) ( segid "RN15" and resid 208 and name HG2%) 5.500 3.800 0.500 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.32643E-03 ppm1 7.493 ppm2 1.004 CV 1 OR { 1130} (( segid "RN15" and resid 207 and name HN )) ( segid "RN15" and resid 199 and name HD1%) ASSI { 1131} (( segid "RN15" and resid 207 and name HN )) (( segid "RN15" and resid 205 and name HN )) 4.400 2.400 1.600 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.29766E-03 ppm1 7.492 ppm2 8.184 CV 1 OR { 1131} (( segid "RN15" and resid 207 and name HN )) (( segid "RN15" and resid 199 and name HN )) ASSI { 1144} (( segid "RN15" and resid 208 and name HN )) ( segid "RN15" and resid 165 and name HG2%) 3.500 1.500 1.500 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.27265E-02 ppm1 8.023 ppm2 0.868 CV 1 OR { 1144} (( segid "RN15" and resid 208 and name HN )) ( segid "RN15" and resid 165 and name HD1%) OR { 1144} (( segid "RN15" and resid 208 and name HN )) ( segid "RN14" and resid 642 and name HG2%) OR { 1144} (( segid "RN15" and resid 208 and name HN )) ( segid "RN14" and resid 639 and name HD2%) ASSI { 1148} (( segid "RN15" and resid 208 and name HN )) (( segid "RN15" and resid 212 and name HG )) 3.800 1.800 1.800 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.31017E-02 ppm1 8.021 ppm2 1.948 CV 1 OR { 1148} (( segid "RN15" and resid 208 and name HN )) (( segid "RN15" and resid 169 and name HG )) OR { 1148} (( segid "RN15" and resid 208 and name HN )) (( segid "RN14" and resid 642 and name HB )) OR { 1148} (( segid "RN15" and resid 208 and name HN )) (( segid "RN15" and resid 169 and name HB1 )) OR { 1148} (( segid "RN15" and resid 208 and name HN )) (( segid "RN15" and resid 165 and name HG11)) ASSI { 1149} (( segid "RN15" and resid 208 and name HN )) ( segid "RN15" and resid 210 and name HB% ) 6.000 5.600 0.000 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.84170E-04 ppm1 8.023 ppm2 1.374 CV 1 OR { 1149} (( segid "RN15" and resid 208 and name HN )) (( segid "RN14" and resid 638 and name HG )) ASSI { 1150} (( segid "RN15" and resid 208 and name HN )) ( segid "RN15" and resid 169 and name HD2%) 5.400 3.700 0.600 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.53029E-03 ppm1 8.023 ppm2 0.610 CV 1 OR { 1150} (( segid "RN15" and resid 208 and name HN )) ( segid "RN15" and resid 205 and name HD2%) OR { 1150} (( segid "RN15" and resid 208 and name HN )) ( segid "RN14" and resid 635 and name HG1%) ASSI { 1151} (( segid "RN15" and resid 208 and name HN )) (( segid "RN15" and resid 205 and name HB1 )) 5.100 3.300 0.900 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.40773E-03 ppm1 8.015 ppm2 1.488 CV 1 OR { 1151} (( segid "RN15" and resid 208 and name HN )) (( segid "RN14" and resid 638 and name HB1 )) OR { 1151} (( segid "RN15" and resid 208 and name HN )) (( segid "RN14" and resid 653 and name HB1 )) ASSI { 1152} (( segid "RN15" and resid 208 and name HN )) (( segid "RN15" and resid 207 and name HA )) 3.300 1.400 1.400 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.94926E-03 ppm1 8.026 ppm2 4.125 CV 1 OR { 1152} (( segid "RN15" and resid 208 and name HN )) (( segid "RN14" and resid 638 and name HA )) ASSI { 1174} (( segid "RN15" and resid 210 and name HN )) (( segid "RN15" and resid 209 and name HG1 )) 3.500 1.500 1.500 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.35895E-02 ppm1 8.023 ppm2 4.146 CV 1 OR { 1174} (( segid "RN15" and resid 156 and name HN )) (( segid "RN14" and resid 647 and name HA )) ASSI { 1175} (( segid "RN15" and resid 210 and name HN )) (( segid "RN15" and resid 206 and name HA )) 3.700 1.700 1.700 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.18260E-02 ppm1 8.023 ppm2 4.030 CV 1 OR { 1175} (( segid "RN15" and resid 210 and name HN )) (( segid "RN15" and resid 211 and name HA )) OR { 1175} (( segid "RN15" and resid 210 and name HN )) (( segid "RN15" and resid 224 and name HA )) OR { 1175} (( segid "RN15" and resid 210 and name HN )) (( segid "RN15" and resid 213 and name HA )) ASSI { 1176} (( segid "RN15" and resid 210 and name HN )) ( segid "RN14" and resid 653 and name HD1%) 3.900 1.900 1.900 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.17260E-02 ppm1 8.024 ppm2 0.685 CV 1 OR { 1176} (( segid "RN15" and resid 210 and name HN )) ( segid "RN15" and resid 208 and name HG1%) OR { 1176} (( segid "RN15" and resid 210 and name HN )) ( segid "RN15" and resid 212 and name HD1%) OR { 1176} (( segid "RN15" and resid 210 and name HN )) ( segid "RN14" and resid 653 and name HD2%) ASSI { 1177} (( segid "RN15" and resid 156 and name HN )) ( segid "RN15" and resid 156 and name HD1%) 4.200 2.200 1.800 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.17635E-02 ppm1 8.022 ppm2 0.928 CV 1 OR { 1177} (( segid "RN15" and resid 210 and name HN )) ( segid "RN15" and resid 213 and name HD1%) ASSI { 1178} (( segid "RN15" and resid 210 and name HN )) ( segid "RN14" and resid 658 and name HD2%) 4.500 2.600 1.500 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.31518E-03 ppm1 8.019 ppm2 1.085 CV 1 OR { 1178} (( segid "RN15" and resid 210 and name HN )) ( segid "RN15" and resid 181 and name HD2%) OR { 1178} (( segid "RN15" and resid 210 and name HN )) (( segid "RN14" and resid 653 and name HB2 )) ASSI { 1179} (( segid "RN15" and resid 210 and name HN )) (( segid "RN15" and resid 213 and name HB2 )) 5.000 3.200 1.000 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.42148E-03 ppm1 8.025 ppm2 1.504 CV 1 OR { 1179} (( segid "RN15" and resid 210 and name HN )) (( segid "RN14" and resid 653 and name HG )) OR { 1179} (( segid "RN15" and resid 210 and name HN )) (( segid "RN14" and resid 653 and name HB1 )) OR { 1179} (( segid "RN15" and resid 210 and name HN )) (( segid "RN14" and resid 662 and name HB2 )) OR { 1179} (( segid "RN15" and resid 210 and name HN )) (( segid "RN14" and resid 638 and name HB1 )) ASSI { 1180} (( segid "RN15" and resid 210 and name HN )) (( segid "RN14" and resid 658 and name HG )) 6.000 4.500 0.000 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.21387E-03 ppm1 8.032 ppm2 1.626 CV 1 OR { 1180} (( segid "RN15" and resid 156 and name HN )) (( segid "RN15" and resid 161 and name HB2 )) OR { 1180} (( segid "RN15" and resid 210 and name HN )) (( segid "RN14" and resid 662 and name HG )) ASSI { 1181} (( segid "RN15" and resid 210 and name HN )) (( segid "RN15" and resid 211 and name HB2 )) 4.800 2.900 1.200 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.64287E-03 ppm1 8.031 ppm2 2.037 CV 1 OR { 1181} (( segid "RN15" and resid 210 and name HN )) (( segid "RN15" and resid 211 and name HB1 )) OR { 1181} (( segid "RN15" and resid 210 and name HN )) (( segid "RN14" and resid 658 and name HB1 )) OR { 1181} (( segid "RN15" and resid 156 and name HN )) (( segid "RN14" and resid 643 and name HG1 )) ASSI { 1192} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 212 and name HA )) 2.500 0.800 0.800 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.41023E-02 ppm1 8.598 ppm2 4.034 CV 1 OR { 1192} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 211 and name HA )) OR { 1192} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 213 and name HA )) ASSI { 1193} (( segid "RN15" and resid 212 and name HN )) ( segid "RN15" and resid 181 and name HD1%) 4.500 2.500 1.500 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.14008E-02 ppm1 8.598 ppm2 0.909 CV 1 OR { 1193} (( segid "RN15" and resid 212 and name HN )) ( segid "RN15" and resid 165 and name HG2%) ASSI { 1194} (( segid "RN15" and resid 212 and name HN )) ( segid "RN15" and resid 212 and name HD2%) 2.900 1.100 1.100 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.73918E-02 ppm1 8.598 ppm2 0.718 CV 1 OR { 1194} (( segid "RN15" and resid 212 and name HN )) ( segid "RN15" and resid 212 and name HD1%) OR { 1194} (( segid "RN15" and resid 212 and name HN )) ( segid "RN15" and resid 208 and name HG1%) ASSI { 1195} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 213 and name HB2 )) 5.800 4.200 0.200 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.12757E-03 ppm1 8.598 ppm2 1.520 CV 1 OR { 1195} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 214 and name HB2 )) OR { 1195} (( segid "RN15" and resid 212 and name HN )) (( segid "RN14" and resid 638 and name HB2 )) ASSI { 1196} (( segid "RN15" and resid 212 and name HN )) ( segid "RN15" and resid 215 and name HG2%) 4.500 2.500 1.500 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.67663E-03 ppm1 8.598 ppm2 1.371 CV 1 OR { 1196} (( segid "RN15" and resid 212 and name HN )) ( segid "RN15" and resid 210 and name HB% ) OR { 1196} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 181 and name HB2 )) ASSI { 1198} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 209 and name HG1 )) 6.000 6.000 0.000 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.20636E-04 ppm1 8.605 ppm2 4.178 CV 1 OR { 1198} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 215 and name HA )) ASSI { 1199} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 209 and name HB )) 5.400 3.700 0.600 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.27515E-03 ppm1 8.601 ppm2 4.331 CV 1 OR { 1199} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 215 and name HB )) OR { 1199} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 214 and name HA )) ASSI { 1200} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 210 and name HA )) 4.400 2.400 1.600 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.49027E-03 ppm1 8.596 ppm2 3.833 CV 1 OR { 1200} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 181 and name HA )) ASSI { 1201} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 209 and name HN )) 5.800 4.200 0.200 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.11331E-03 ppm1 8.595 ppm2 7.897 CV 1 OR { 1201} (( segid "RN15" and resid 212 and name HN )) (( segid "RN15" and resid 216 and name HD21)) ASSI { 1218} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 211 and name HA )) 3.000 1.100 1.100 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.28891E-02 ppm1 8.204 ppm2 4.044 CV 1 OR { 1218} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 213 and name HA )) OR { 1218} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 212 and name HA )) ASSI { 1219} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 214 and name HA )) 2.800 1.000 1.000 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.28265E-02 ppm1 8.203 ppm2 4.318 CV 1 OR { 1219} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 215 and name HB )) ASSI { 1220} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 213 and name HG )) 3.400 1.400 1.400 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.37271E-02 ppm1 8.205 ppm2 2.219 CV 1 OR { 1220} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 212 and name HB1 )) ASSI { 1222} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 214 and name HB2 )) 2.200 0.600 0.600 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.69537E-02 ppm1 8.206 ppm2 1.538 CV 1 OR { 1222} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 213 and name HB2 )) ASSI { 1223} (( segid "RN15" and resid 214 and name HN )) ( segid "RN15" and resid 213 and name HD1%) 4.100 2.100 1.900 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.17760E-02 ppm1 8.206 ppm2 0.947 CV 1 OR { 1223} (( segid "RN15" and resid 214 and name HN )) ( segid "RN15" and resid 181 and name HD1%) ASSI { 1224} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 214 and name HB1 )) 3.000 1.100 1.100 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.61409E-02 ppm1 8.205 ppm2 1.910 CV 1 OR { 1224} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 213 and name HB1 )) ASSI { 1225} (( segid "RN15" and resid 214 and name HN )) ( segid "RN15" and resid 214 and name HD1%) 3.600 1.600 1.600 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.41648E-02 ppm1 8.205 ppm2 0.800 CV 1 OR { 1225} (( segid "RN15" and resid 214 and name HN )) ( segid "RN15" and resid 224 and name HD1%) ASSI { 1226} (( segid "RN15" and resid 214 and name HN )) ( segid "RN15" and resid 210 and name HB% ) 3.100 3.100 2.900 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.86547E-02 ppm1 8.207 ppm2 1.357 CV 1 OR { 1226} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 224 and name HB2 )) ASSI { 1227} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 210 and name HA )) 4.500 2.500 1.500 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.39897E-03 ppm1 8.209 ppm2 3.860 CV 1 OR { 1227} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 218 and name HA )) ASSI { 1228} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 211 and name HB1 )) 5.400 3.700 0.600 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.21637E-03 ppm1 8.204 ppm2 2.058 CV 1 OR { 1228} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 211 and name HB2 )) OR { 1228} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 177 and name HB2 )) OR { 1228} (( segid "RN15" and resid 214 and name HN )) (( segid "RN15" and resid 220 and name HB2 )) ASSI { 1235} (( segid "RN15" and resid 215 and name HN )) (( segid "RN15" and resid 212 and name HB1 )) 5.700 4.100 0.300 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.18635E-03 ppm1 9.087 ppm2 2.221 CV 1 OR { 1235} (( segid "RN15" and resid 215 and name HN )) (( segid "RN15" and resid 213 and name HG )) ASSI { 1236} (( segid "RN15" and resid 215 and name HN )) (( segid "RN15" and resid 211 and name HB1 )) 4.700 2.800 1.300 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.14258E-03 ppm1 9.090 ppm2 2.079 CV 1 OR { 1236} (( segid "RN15" and resid 215 and name HN )) (( segid "RN15" and resid 211 and name HB2 )) OR { 1236} (( segid "RN15" and resid 215 and name HN )) (( segid "RN14" and resid 669 and name HG1 )) OR { 1236} (( segid "RN15" and resid 215 and name HN )) (( segid "RN15" and resid 181 and name HG )) OR { 1236} (( segid "RN15" and resid 215 and name HN )) (( segid "RN14" and resid 669 and name HG2 )) OR { 1236} (( segid "RN15" and resid 215 and name HN )) (( segid "RN15" and resid 220 and name HB2 )) ASSI { 1251} (( segid "RN15" and resid 216 and name HN )) (( segid "RN15" and resid 215 and name HB )) 3.800 1.800 1.800 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.16134E-02 ppm1 7.132 ppm2 4.328 CV 1 OR { 1251} (( segid "RN15" and resid 216 and name HN )) (( segid "RN15" and resid 214 and name HA )) ASSI { 1254} (( segid "RN15" and resid 216 and name HN )) (( segid "RN15" and resid 218 and name HG12)) 5.500 3.700 0.500 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.17135E-03 ppm1 7.139 ppm2 1.193 CV 1 OR { 1254} (( segid "RN15" and resid 216 and name HN )) (( segid "RN15" and resid 212 and name HB2 )) ASSI { 1255} (( segid "RN15" and resid 216 and name HN )) (( segid "RN15" and resid 218 and name HB )) 4.400 2.400 1.600 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.74163E-03 ppm1 7.134 ppm2 1.949 CV 1 OR { 1255} (( segid "RN15" and resid 216 and name HN )) (( segid "RN14" and resid 669 and name HB2 )) ASSI { 1256} (( segid "RN15" and resid 216 and name HN )) (( segid "RN15" and resid 214 and name HB2 )) 4.000 2.000 2.000 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.15759E-02 ppm1 7.130 ppm2 1.537 CV 1 OR { 1256} (( segid "RN15" and resid 216 and name HN )) (( segid "RN15" and resid 213 and name HB2 )) OR { 1256} (( segid "RN15" and resid 216 and name HN )) (( segid "RN15" and resid 218 and name HG11)) ASSI { 1270} (( segid "RN15" and resid 216 and name HD21)) (( segid "RN15" and resid 212 and name HB2 )) 5.200 3.400 0.800 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.59284E-03 ppm1 7.931 ppm2 1.205 CV 1 OR { 1270} (( segid "RN15" and resid 216 and name HD21)) (( segid "RN14" and resid 668 and name HG12)) ASSI { 1271} (( segid "RN15" and resid 216 and name HD22)) (( segid "RN14" and resid 669 and name HB2 )) 4.500 2.600 1.500 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.88049E-03 ppm1 7.645 ppm2 1.989 CV 1 OR { 1271} (( segid "RN15" and resid 216 and name HD22)) (( segid "RN14" and resid 668 and name HB )) OR { 1271} (( segid "RN15" and resid 128 and name HD21)) (( segid "RN15" and resid 130 and name HG2 )) OR { 1271} (( segid "RN15" and resid 128 and name HD21)) (( segid "RN15" and resid 130 and name HG1 )) ASSI { 1272} (( segid "RN15" and resid 216 and name HD22)) ( segid "RN15" and resid 213 and name HD2%) 4.500 2.500 1.500 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.32893E-03 ppm1 7.652 ppm2 0.889 CV 1 OR { 1272} (( segid "RN15" and resid 216 and name HD22)) ( segid "RN15" and resid 218 and name HD1%) ASSI { 1294} (( segid "RN15" and resid 217 and name HN )) (( segid "RN15" and resid 214 and name HG )) 5.600 3.900 0.400 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.13007E-03 ppm1 7.958 ppm2 1.776 CV 1 OR { 1294} (( segid "RN15" and resid 217 and name HN )) (( segid "RN15" and resid 220 and name HD1 )) OR { 1294} (( segid "RN15" and resid 217 and name HN )) (( segid "RN15" and resid 220 and name HD2 )) ASSI { 1320} (( segid "RN15" and resid 219 and name HN )) (( segid "RN15" and resid 214 and name HA )) 3.400 1.400 1.400 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.12006E-02 ppm1 7.480 ppm2 4.352 CV 1 OR { 1320} (( segid "RN15" and resid 219 and name HN )) (( segid "RN14" and resid 668 and name HA )) ASSI { 1321} (( segid "RN15" and resid 219 and name HN )) (( segid "RN15" and resid 213 and name HA )) 3.500 1.600 1.600 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.18010E-02 ppm1 7.478 ppm2 4.042 CV 1 OR { 1321} (( segid "RN15" and resid 219 and name HN )) (( segid "RN15" and resid 217 and name HA1 )) OR { 1321} (( segid "RN15" and resid 219 and name HN )) (( segid "RN15" and resid 217 and name HA2 )) OR { 1321} (( segid "RN15" and resid 219 and name HN )) (( segid "RN14" and resid 669 and name HD2 )) ASSI { 1322} (( segid "RN15" and resid 219 and name HN )) ( segid "RN15" and resid 213 and name HD2%) 3.900 1.900 1.900 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.17260E-02 ppm1 7.477 ppm2 0.881 CV 1 OR { 1322} (( segid "RN15" and resid 219 and name HN )) ( segid "RN15" and resid 218 and name HD1%) ASSI { 1323} (( segid "RN15" and resid 219 and name HN )) (( segid "RN15" and resid 213 and name HB2 )) 3.500 1.600 1.600 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.39522E-02 ppm1 7.476 ppm2 1.532 CV 1 OR { 1323} (( segid "RN15" and resid 219 and name HN )) (( segid "RN15" and resid 218 and name HG11)) ASSI { 1324} (( segid "RN15" and resid 219 and name HN )) (( segid "RN15" and resid 214 and name HG )) 4.700 2.800 1.300 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.52404E-03 ppm1 7.470 ppm2 1.736 CV 1 OR { 1324} (( segid "RN15" and resid 219 and name HN )) (( segid "RN15" and resid 220 and name HD1 )) OR { 1324} (( segid "RN15" and resid 219 and name HN )) (( segid "RN15" and resid 220 and name HB1 )) OR { 1324} (( segid "RN15" and resid 219 and name HN )) (( segid "RN15" and resid 220 and name HD2 )) OR { 1324} (( segid "RN15" and resid 219 and name HN )) (( segid "RN14" and resid 667 and name HB1 )) ASSI { 1335} (( segid "RN15" and resid 220 and name HN )) (( segid "RN15" and resid 223 and name HB2 )) 2.200 0.600 0.600 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.71164E-02 ppm1 9.120 ppm2 2.889 CV 1 OR { 1335} (( segid "RN15" and resid 220 and name HN )) (( segid "RN15" and resid 219 and name HB2 )) ASSI { 1336} (( segid "RN15" and resid 220 and name HN )) (( segid "RN15" and resid 213 and name HB1 )) 5.700 4.100 0.300 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.30767E-03 ppm1 9.120 ppm2 1.892 CV 1 OR { 1336} (( segid "RN15" and resid 220 and name HN )) (( segid "RN15" and resid 214 and name HB1 )) OR { 1336} (( segid "RN15" and resid 220 and name HN )) (( segid "RN15" and resid 226 and name HG1 )) ASSI { 1352} (( segid "RN15" and resid 221 and name HN )) (( segid "RN15" and resid 220 and name HB1 )) 2.300 0.700 0.700 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.40648E-02 ppm1 8.873 ppm2 1.731 CV 1 OR { 1352} (( segid "RN15" and resid 221 and name HN )) (( segid "RN15" and resid 220 and name HD2 )) OR { 1352} (( segid "RN15" and resid 221 and name HN )) (( segid "RN15" and resid 220 and name HD1 )) OR { 1352} (( segid "RN15" and resid 221 and name HN )) (( segid "RN15" and resid 214 and name HG )) ASSI { 1362} (( segid "RN14" and resid 646 and name HN )) (( segid "RN14" and resid 644 and name HB1 )) 2.700 0.900 0.900 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.54530E-02 ppm1 8.401 ppm2 2.404 CV 1 OR { 1362} (( segid "RN15" and resid 222 and name HN )) (( segid "RN15" and resid 222 and name HB1 )) ASSI { 1363} (( segid "RN15" and resid 222 and name HN )) (( segid "RN15" and resid 221 and name HB )) 2.500 0.800 0.800 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.56656E-02 ppm1 8.403 ppm2 2.093 CV 1 OR { 1363} (( segid "RN15" and resid 222 and name HN )) (( segid "RN15" and resid 220 and name HB2 )) ASSI { 1364} (( segid "RN15" and resid 222 and name HN )) (( segid "RN15" and resid 221 and name HA )) 3.700 1.700 1.700 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.68286E-03 ppm1 8.404 ppm2 3.633 CV 1 OR { 1364} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 165 and name HA )) ASSI { 1366} (( segid "RN15" and resid 222 and name HN )) (( segid "RN15" and resid 220 and name HG2 )) 3.400 1.400 1.400 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.60032E-03 ppm1 8.405 ppm2 1.523 CV 1 OR { 1366} (( segid "RN15" and resid 222 and name HN )) (( segid "RN15" and resid 220 and name HG1 )) OR { 1366} (( segid "RN15" and resid 222 and name HN )) (( segid "RN15" and resid 213 and name HB2 )) OR { 1366} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 214 and name HB2 )) OR { 1366} (( segid "RN15" and resid 222 and name HN )) (( segid "RN14" and resid 653 and name HG )) OR { 1366} (( segid "RN15" and resid 222 and name HN )) (( segid "RN14" and resid 653 and name HB1 )) ASSI { 1368} (( segid "RN15" and resid 222 and name HN )) (( segid "RN15" and resid 223 and name HB2 )) 6.000 4.900 0.000 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.10781E-03 ppm1 8.412 ppm2 2.861 CV 1 OR { 1368} (( segid "RN15" and resid 222 and name HN )) (( segid "RN15" and resid 219 and name HB2 )) OR { 1368} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 171 and name HE2 )) OR { 1368} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 171 and name HE1 )) ASSI { 1370} (( segid "RN15" and resid 222 and name HN )) (( segid "RN15" and resid 220 and name HB1 )) 3.900 1.900 1.900 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.46526E-03 ppm1 8.408 ppm2 1.718 CV 1 OR { 1370} (( segid "RN15" and resid 222 and name HN )) (( segid "RN15" and resid 225 and name HG11)) OR { 1370} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 171 and name HD1 )) ASSI { 1381} (( segid "RN15" and resid 223 and name HN )) (( segid "RN15" and resid 220 and name HB1 )) 4.000 2.000 2.000 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.10506E-02 ppm1 7.578 ppm2 1.746 CV 1 OR { 1381} (( segid "RN15" and resid 223 and name HN )) (( segid "RN15" and resid 225 and name HG11)) OR { 1381} (( segid "RN15" and resid 223 and name HN )) (( segid "RN15" and resid 226 and name HB2 )) ASSI { 1383} (( segid "RN15" and resid 223 and name HN )) (( segid "RN15" and resid 221 and name HA )) 4.100 2.200 1.900 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.66412E-03 ppm1 7.581 ppm2 3.637 CV 1 OR { 1383} (( segid "RN15" and resid 223 and name HN )) (( segid "RN15" and resid 226 and name HD1 )) ASSI { 1393} (( segid "RN15" and resid 224 and name HN )) (( segid "RN15" and resid 221 and name HA )) 3.700 1.700 1.700 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.91299E-03 ppm1 7.244 ppm2 3.639 CV 1 OR { 1393} (( segid "RN15" and resid 224 and name HN )) (( segid "RN15" and resid 226 and name HD1 )) ASSI { 1395} (( segid "RN15" and resid 224 and name HN )) (( segid "RN15" and resid 224 and name HB2 )) 2.500 0.800 0.800 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.30517E-02 ppm1 7.244 ppm2 1.355 CV 1 OR { 1395} (( segid "RN15" and resid 224 and name HN )) ( segid "RN15" and resid 210 and name HB% ) ASSI { 1442} (( segid "RN15" and resid 228 and name HN )) (( segid "RN15" and resid 227 and name HB2 )) 3.200 1.200 1.200 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.48401E-03 ppm1 7.270 ppm2 1.833 CV 1 OR { 1442} (( segid "RN15" and resid 228 and name HN )) (( segid "RN15" and resid 224 and name HB1 )) ASSI { 1449} (( segid "RN15" and resid 229 and name HN )) (( segid "RN15" and resid 228 and name HA )) 2.000 0.500 0.500 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.20762E-01 ppm1 8.227 ppm2 4.371 CV 1 OR { 1449} (( segid "RN15" and resid 229 and name HN )) (( segid "RN15" and resid 229 and name HA )) ASSI { 1453} (( segid "RN15" and resid 229 and name HN )) (( segid "RN15" and resid 232 and name HG1 )) 4.000 2.000 2.000 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.54280E-03 ppm1 8.229 ppm2 2.372 CV 1 OR { 1453} (( segid "RN15" and resid 229 and name HN )) (( segid "RN15" and resid 232 and name HG2 )) OR { 1453} (( segid "RN15" and resid 229 and name HN )) (( segid "RN14" and resid 654 and name HB1 )) ASSI { 1501} (( segid "RN14" and resid 631 and name HN )) ( segid "RN15" and resid 148 and name HD2%) 5.300 3.500 0.700 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.63659E-03 ppm1 8.381 ppm2 0.638 CV 1 OR { 1501} (( segid "RN14" and resid 631 and name HN )) ( segid "RN14" and resid 635 and name HG1%) OR { 1501} (( segid "RN14" and resid 631 and name HN )) ( segid "RN14" and resid 635 and name HG2%) OR { 1501} (( segid "RN14" and resid 631 and name HN )) ( segid "RN15" and resid 205 and name HD2%) ASSI { 1527} (( segid "RN14" and resid 634 and name HN )) (( segid "RN14" and resid 634 and name HB1 )) 2.400 0.700 0.700 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.66538E-02 ppm1 10.189 ppm2 1.855 CV 1 OR { 1527} (( segid "RN14" and resid 634 and name HN )) (( segid "RN14" and resid 632 and name HB2 )) OR { 1527} (( segid "RN14" and resid 634 and name HN )) (( segid "RN14" and resid 634 and name HB2 )) ASSI { 1539} (( segid "RN14" and resid 635 and name HN )) (( segid "RN14" and resid 636 and name HG )) 3.600 1.600 1.600 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.19886E-02 ppm1 7.417 ppm2 1.490 CV 1 OR { 1539} (( segid "RN14" and resid 635 and name HN )) (( segid "RN14" and resid 638 and name HB1 )) OR { 1539} (( segid "RN14" and resid 635 and name HN )) (( segid "RN14" and resid 636 and name HB2 )) ASSI { 1540} (( segid "RN14" and resid 635 and name HN )) (( segid "RN14" and resid 632 and name HB1 )) 3.500 1.500 1.500 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.42523E-02 ppm1 7.412 ppm2 2.599 CV 1 OR { 1540} (( segid "RN14" and resid 635 and name HN )) (( segid "RN14" and resid 637 and name HB2 )) ASSI { 1542} (( segid "RN14" and resid 635 and name HN )) ( segid "RN14" and resid 636 and name HD1%) 5.600 3.900 0.400 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.40522E-03 ppm1 7.408 ppm2 0.874 CV 1 OR { 1542} (( segid "RN14" and resid 635 and name HN )) ( segid "RN14" and resid 639 and name HD2%) ASSI { 1543} (( segid "RN14" and resid 635 and name HN )) (( segid "RN14" and resid 638 and name HN )) 4.500 2.600 1.500 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.57781E-03 ppm1 7.410 ppm2 7.183 CV 1 OR { 1543} (( segid "RN14" and resid 635 and name HN )) ( segid "RN15" and resid 184 and name HE% ) ASSI { 1557} (( segid "RN14" and resid 636 and name HN )) (( segid "RN14" and resid 636 and name HA )) 2.600 0.900 0.900 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.34269E-02 ppm1 7.012 ppm2 3.719 CV 1 OR { 1557} (( segid "RN14" and resid 636 and name HN )) (( segid "RN14" and resid 633 and name HA )) OR { 1557} (( segid "RN14" and resid 636 and name HN )) (( segid "RN14" and resid 635 and name HA )) ASSI { 1558} (( segid "RN14" and resid 636 and name HN )) ( segid "RN14" and resid 635 and name HG1%) 3.300 1.400 1.400 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.24639E-02 ppm1 7.013 ppm2 0.618 CV 1 OR { 1558} (( segid "RN14" and resid 636 and name HN )) ( segid "RN14" and resid 635 and name HG2%) OR { 1558} (( segid "RN14" and resid 636 and name HN )) ( segid "RN15" and resid 148 and name HD2%) ASSI { 1560} (( segid "RN14" and resid 636 and name HN )) (( segid "RN15" and resid 149 and name HG1 )) 3.300 3.300 2.700 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.48027E-02 ppm1 7.012 ppm2 1.975 CV 1 OR { 1560} (( segid "RN14" and resid 636 and name HN )) (( segid "RN15" and resid 204 and name HG2 )) ASSI { 1561} (( segid "RN14" and resid 636 and name HN )) (( segid "RN14" and resid 634 and name HA )) 4.200 2.200 1.800 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.84422E-03 ppm1 6.998 ppm2 4.080 CV 1 OR { 1561} (( segid "RN14" and resid 636 and name HN )) (( segid "RN14" and resid 633 and name HB )) ASSI { 1573} (( segid "RN14" and resid 637 and name HN )) (( segid "RN14" and resid 634 and name HA )) 3.300 1.400 1.400 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.17760E-02 ppm1 8.621 ppm2 4.088 CV 1 OR { 1573} (( segid "RN14" and resid 637 and name HN )) (( segid "RN14" and resid 633 and name HB )) OR { 1573} (( segid "RN14" and resid 637 and name HN )) (( segid "RN14" and resid 640 and name HB1 )) ASSI { 1574} (( segid "RN15" and resid 185 and name HN )) ( segid "RN14" and resid 662 and name HD1%) 3.800 1.800 1.800 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.13007E-02 ppm1 8.613 ppm2 0.835 CV 1 OR { 1574} (( segid "RN14" and resid 637 and name HN )) ( segid "RN14" and resid 639 and name HD1%) OR { 1574} (( segid "RN14" and resid 637 and name HN )) ( segid "RN14" and resid 641 and name HG1%) OR { 1574} (( segid "RN14" and resid 637 and name HN )) ( segid "RN14" and resid 639 and name HD2%) ASSI { 1577} (( segid "RN14" and resid 637 and name HN )) (( segid "RN14" and resid 635 and name HN )) 4.000 2.000 2.000 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.81297E-03 ppm1 8.612 ppm2 7.431 CV 1 OR { 1577} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 187 and name HE3 )) OR { 1577} (( segid "RN15" and resid 185 and name HN )) (( segid "RN14" and resid 635 and name HN )) ASSI { 1580} (( segid "RN14" and resid 637 and name HN )) (( segid "RN14" and resid 634 and name HG2 )) 3.400 3.400 2.600 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.33519E-03 ppm1 8.613 ppm2 2.424 CV 1 OR { 1580} (( segid "RN14" and resid 637 and name HN )) (( segid "RN14" and resid 634 and name HG1 )) OR { 1580} (( segid "RN15" and resid 185 and name HN )) (( segid "RN14" and resid 634 and name HG2 )) ASSI { 1581} (( segid "RN14" and resid 637 and name HN )) (( segid "RN14" and resid 639 and name HG )) 2.700 2.700 3.300 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.14133E-01 ppm1 8.619 ppm2 1.778 CV 1 OR { 1581} (( segid "RN14" and resid 637 and name HN )) (( segid "RN15" and resid 149 and name HB1 )) OR { 1581} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 183 and name HD2 )) OR { 1581} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 189 and name HB2 )) OR { 1581} (( segid "RN15" and resid 185 and name HN )) (( segid "RN14" and resid 662 and name HB1 )) OR { 1581} (( segid "RN15" and resid 185 and name HN )) (( segid "RN15" and resid 183 and name HD1 )) ASSI { 1591} (( segid "RN14" and resid 638 and name HN )) (( segid "RN14" and resid 635 and name HA )) 2.900 1.000 1.000 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.26390E-02 ppm1 7.154 ppm2 3.707 CV 1 OR { 1591} (( segid "RN14" and resid 638 and name HN )) (( segid "RN14" and resid 636 and name HA )) ASSI { 1592} (( segid "RN14" and resid 638 and name HN )) (( segid "RN14" and resid 639 and name HB1 )) 4.600 2.600 1.400 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.58530E-03 ppm1 7.152 ppm2 1.855 CV 1 OR { 1592} (( segid "RN14" and resid 638 and name HN )) (( segid "RN15" and resid 205 and name HB2 )) ASSI { 1593} (( segid "RN14" and resid 638 and name HN )) (( segid "RN14" and resid 638 and name HB2 )) 2.200 0.600 0.600 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.11481E-01 ppm1 7.155 ppm2 1.506 CV 1 OR { 1593} (( segid "RN14" and resid 638 and name HN )) (( segid "RN14" and resid 636 and name HB2 )) ASSI { 1595} (( segid "RN14" and resid 638 and name HN )) ( segid "RN14" and resid 635 and name HG1%) 3.900 1.900 1.900 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.17009E-02 ppm1 7.149 ppm2 0.628 CV 1 OR { 1595} (( segid "RN14" and resid 638 and name HN )) ( segid "RN15" and resid 205 and name HD1%) OR { 1595} (( segid "RN14" and resid 638 and name HN )) ( segid "RN15" and resid 169 and name HD2%) OR { 1595} (( segid "RN14" and resid 638 and name HN )) ( segid "RN15" and resid 205 and name HD2%) ASSI { 1596} (( segid "RN14" and resid 638 and name HN )) ( segid "RN14" and resid 641 and name HG2%) 4.700 2.700 1.300 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.98679E-03 ppm1 7.151 ppm2 0.892 CV 1 OR { 1596} (( segid "RN14" and resid 638 and name HN )) ( segid "RN14" and resid 639 and name HD2%) ASSI { 1598} (( segid "RN14" and resid 638 and name HN )) (( segid "RN14" and resid 636 and name HN )) 6.000 6.000 0.000 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.22262E-05 ppm1 7.155 ppm2 6.995 CV 1 OR { 1598} (( segid "RN14" and resid 638 and name HN )) ( segid "RN15" and resid 180 and name HD% ) OR { 1598} (( segid "RN14" and resid 638 and name HN )) (( segid "RN14" and resid 642 and name HN )) ASSI { 1601} (( segid "RN14" and resid 638 and name HN )) (( segid "RN14" and resid 635 and name HB )) 5.100 3.200 0.900 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.31267E-03 ppm1 7.158 ppm2 1.978 CV 1 OR { 1601} (( segid "RN14" and resid 638 and name HN )) (( segid "RN15" and resid 149 and name HG1 )) OR { 1601} (( segid "RN14" and resid 638 and name HN )) (( segid "RN15" and resid 204 and name HG2 )) OR { 1601} (( segid "RN14" and resid 638 and name HN )) (( segid "RN15" and resid 169 and name HG )) ASSI { 1613} (( segid "RN14" and resid 639 and name HN )) (( segid "RN14" and resid 638 and name HA )) 3.800 1.800 1.800 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.10406E-02 ppm1 8.066 ppm2 4.104 CV 1 OR { 1613} (( segid "RN15" and resid 211 and name HN )) (( segid "RN15" and resid 207 and name HA )) OR { 1613} (( segid "RN14" and resid 639 and name HN )) (( segid "RN14" and resid 640 and name HB1 )) OR { 1613} (( segid "RN15" and resid 211 and name HN )) (( segid "RN15" and resid 166 and name HA )) ASSI { 1614} (( segid "RN14" and resid 639 and name HN )) (( segid "RN14" and resid 636 and name HA )) 3.300 1.300 1.300 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.14633E-02 ppm1 8.069 ppm2 3.751 CV 1 OR { 1614} (( segid "RN14" and resid 664 and name HN )) (( segid "RN14" and resid 662 and name HA )) ASSI { 1615} (( segid "RN14" and resid 639 and name HN )) (( segid "RN14" and resid 639 and name HA )) 3.300 1.300 1.300 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.84799E-03 ppm1 8.071 ppm2 3.840 CV 1 OR { 1615} (( segid "RN15" and resid 211 and name HN )) (( segid "RN15" and resid 210 and name HA )) ASSI { 1616} (( segid "RN14" and resid 639 and name HN )) ( segid "RN14" and resid 635 and name HG1%) 3.800 1.800 1.800 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.19386E-02 ppm1 8.067 ppm2 0.621 CV 1 OR { 1616} (( segid "RN14" and resid 639 and name HN )) ( segid "RN15" and resid 205 and name HD1%) OR { 1616} (( segid "RN15" and resid 211 and name HN )) ( segid "RN15" and resid 169 and name HD2%) OR { 1616} (( segid "RN14" and resid 639 and name HN )) ( segid "RN15" and resid 205 and name HD2%) OR { 1616} (( segid "RN14" and resid 639 and name HN )) ( segid "RN15" and resid 148 and name HD2%) ASSI { 1617} (( segid "RN14" and resid 639 and name HN )) ( segid "RN14" and resid 639 and name HD1%) 3.300 1.400 1.400 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.53905E-02 ppm1 8.071 ppm2 0.829 CV 1 OR { 1617} (( segid "RN15" and resid 211 and name HN )) ( segid "RN15" and resid 214 and name HD1%) OR { 1617} (( segid "RN14" and resid 639 and name HN )) ( segid "RN14" and resid 641 and name HG1%) ASSI { 1618} (( segid "RN14" and resid 639 and name HN )) (( segid "RN14" and resid 638 and name HB1 )) 2.400 0.700 0.700 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.57405E-02 ppm1 8.072 ppm2 1.475 CV 1 OR { 1618} (( segid "RN14" and resid 664 and name HN )) (( segid "RN14" and resid 662 and name HB2 )) OR { 1618} (( segid "RN15" and resid 211 and name HN )) ( segid "RN15" and resid 170 and name HB% ) OR { 1618} (( segid "RN14" and resid 639 and name HN )) (( segid "RN15" and resid 205 and name HB1 )) OR { 1618} (( segid "RN14" and resid 639 and name HN )) (( segid "RN15" and resid 205 and name HG )) ASSI { 1619} (( segid "RN14" and resid 639 and name HN )) (( segid "RN14" and resid 639 and name HG )) 2.400 0.700 0.700 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.31017E-02 ppm1 8.068 ppm2 1.769 CV 1 OR { 1619} (( segid "RN15" and resid 211 and name HN )) (( segid "RN15" and resid 214 and name HG )) OR { 1619} (( segid "RN14" and resid 664 and name HN )) (( segid "RN14" and resid 662 and name HB1 )) ASSI { 1620} (( segid "RN14" and resid 639 and name HN )) (( segid "RN14" and resid 639 and name HB1 )) 3.100 1.200 1.200 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.56781E-02 ppm1 8.071 ppm2 1.853 CV 1 OR { 1620} (( segid "RN14" and resid 639 and name HN )) (( segid "RN15" and resid 205 and name HB2 )) OR { 1620} (( segid "RN15" and resid 211 and name HN )) (( segid "RN15" and resid 224 and name HB1 )) ASSI { 1621} (( segid "RN14" and resid 639 and name HN )) (( segid "RN14" and resid 636 and name HN )) 4.300 2.300 1.700 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.55280E-03 ppm1 8.070 ppm2 6.991 CV 1 OR { 1621} (( segid "RN14" and resid 639 and name HN )) (( segid "RN14" and resid 642 and name HN )) OR { 1621} (( segid "RN14" and resid 664 and name HN )) ( segid "RN14" and resid 661 and name HD% ) OR { 1621} (( segid "RN15" and resid 211 and name HN )) ( segid "RN15" and resid 180 and name HD% ) ASSI { 1623} (( segid "RN15" and resid 211 and name HN )) ( segid "RN15" and resid 224 and name HD2%) 6.000 5.200 0.000 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.13883E-03 ppm1 8.049 ppm2 0.450 CV 1 OR { 1623} (( segid "RN14" and resid 639 and name HN )) ( segid "RN14" and resid 638 and name HD1%) ASSI { 1630} (( segid "RN14" and resid 640 and name HN )) ( segid "RN14" and resid 641 and name HG1%) 3.600 1.600 1.600 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.30392E-02 ppm1 7.567 ppm2 0.866 CV 1 OR { 1630} (( segid "RN14" and resid 640 and name HN )) ( segid "RN14" and resid 639 and name HD2%) OR { 1630} (( segid "RN14" and resid 640 and name HN )) ( segid "RN14" and resid 642 and name HG2%) ASSI { 1631} (( segid "RN14" and resid 640 and name HN )) (( segid "RN14" and resid 639 and name HG )) 5.000 3.100 1.000 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.40648E-03 ppm1 7.569 ppm2 1.756 CV 1 OR { 1631} (( segid "RN14" and resid 640 and name HN )) (( segid "RN15" and resid 149 and name HB1 )) OR { 1631} (( segid "RN14" and resid 640 and name HN )) (( segid "RN14" and resid 642 and name HG11)) ASSI { 1652} (( segid "RN14" and resid 641 and name HN )) (( segid "RN14" and resid 642 and name HG12)) 3.600 1.600 1.600 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.71541E-03 ppm1 7.324 ppm2 1.348 CV 1 OR { 1652} (( segid "RN14" and resid 641 and name HN )) (( segid "RN14" and resid 638 and name HG )) ASSI { 1653} (( segid "RN14" and resid 641 and name HN )) (( segid "RN14" and resid 638 and name HB2 )) 5.200 3.400 0.800 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.39146E-03 ppm1 7.332 ppm2 1.517 CV 1 OR { 1653} (( segid "RN15" and resid 182 and name HE21)) (( segid "RN15" and resid 218 and name HG11)) ASSI { 1654} (( segid "RN14" and resid 641 and name HN )) (( segid "RN14" and resid 642 and name HB )) 6.000 6.000 0.000 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.31393E-04 ppm1 7.328 ppm2 1.965 CV 1 OR { 1654} (( segid "RN14" and resid 641 and name HN )) (( segid "RN15" and resid 204 and name HG2 )) OR { 1654} (( segid "RN14" and resid 641 and name HN )) (( segid "RN15" and resid 169 and name HG )) OR { 1654} (( segid "RN14" and resid 641 and name HN )) (( segid "RN15" and resid 165 and name HG11)) ASSI { 1680} (( segid "RN14" and resid 644 and name HN )) (( segid "RN14" and resid 646 and name HG1 )) 3.900 1.900 1.900 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.15258E-02 ppm1 7.654 ppm2 1.733 CV 1 OR { 1680} (( segid "RN14" and resid 644 and name HN )) (( segid "RN15" and resid 204 and name HB2 )) OR { 1680} (( segid "RN14" and resid 644 and name HN )) (( segid "RN14" and resid 645 and name HG2 )) ASSI { 1681} (( segid "RN14" and resid 644 and name HN )) (( segid "RN14" and resid 644 and name HB1 )) 4.000 2.000 2.000 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.75168E-03 ppm1 7.659 ppm2 2.356 CV 1 OR { 1681} (( segid "RN14" and resid 644 and name HN )) (( segid "RN14" and resid 647 and name HB2 )) ASSI { 1682} (( segid "RN14" and resid 644 and name HN )) (( segid "RN14" and resid 642 and name HB )) 6.000 4.500 0.000 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.654 ppm2 1.980 CV 1 OR { 1682} (( segid "RN14" and resid 644 and name HN )) (( segid "RN15" and resid 203 and name HB2 )) ASSI { 1703} (( segid "RN14" and resid 646 and name HN )) (( segid "RN14" and resid 644 and name HB1 )) 3.100 1.200 1.200 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.16759E-02 ppm1 8.377 ppm2 2.374 CV 1 OR { 1703} (( segid "RN14" and resid 646 and name HN )) (( segid "RN14" and resid 647 and name HB2 )) OR { 1703} (( segid "RN15" and resid 167 and name HN )) (( segid "RN15" and resid 168 and name HG2 )) ASSI { 1734} (( segid "RN14" and resid 648 and name HN )) (( segid "RN14" and resid 645 and name HA )) 4.300 2.300 1.700 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.51404E-03 ppm1 7.846 ppm2 4.355 CV 1 OR { 1734} (( segid "RN15" and resid 181 and name HN )) (( segid "RN14" and resid 668 and name HA )) ASSI { 1774} (( segid "RN14" and resid 654 and name HN )) (( segid "RN15" and resid 227 and name HB2 )) 3.500 1.600 1.600 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.16509E-02 ppm1 8.752 ppm2 1.863 CV 1 OR { 1774} (( segid "RN14" and resid 654 and name HN )) (( segid "RN14" and resid 657 and name HB1 )) ASSI { 1779} (( segid "RN14" and resid 654 and name HN )) (( segid "RN14" and resid 652 and name HB1 )) 3.200 3.200 2.800 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.10231E-02 ppm1 8.754 ppm2 1.627 CV 1 OR { 1779} (( segid "RN14" and resid 654 and name HN )) (( segid "RN14" and resid 652 and name HB2 )) OR { 1779} (( segid "RN14" and resid 654 and name HN )) (( segid "RN14" and resid 658 and name HG )) ASSI { 1781} (( segid "RN14" and resid 654 and name HN )) ( segid "RN14" and resid 652 and name HD2%) 4.500 2.500 1.500 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.14758E-03 ppm1 8.755 ppm2 0.915 CV 1 OR { 1781} (( segid "RN14" and resid 654 and name HN )) ( segid "RN15" and resid 225 and name HG2%) OR { 1781} (( segid "RN14" and resid 654 and name HN )) ( segid "RN14" and resid 659 and name HG1%) OR { 1781} (( segid "RN14" and resid 654 and name HN )) ( segid "RN15" and resid 213 and name HD1%) ASSI { 1793} (( segid "RN14" and resid 655 and name HN )) (( segid "RN14" and resid 656 and name HB2 )) 4.000 2.000 2.000 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.18885E-02 ppm1 8.696 ppm2 2.176 CV 1 OR { 1793} (( segid "RN14" and resid 655 and name HN )) (( segid "RN14" and resid 659 and name HB )) OR { 1793} (( segid "RN14" and resid 655 and name HN )) (( segid "RN14" and resid 656 and name HB1 )) ASSI { 1794} (( segid "RN14" and resid 655 and name HN )) ( segid "RN15" and resid 199 and name HD1%) 4.800 2.900 1.200 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.95052E-03 ppm1 8.696 ppm2 1.001 CV 1 OR { 1794} (( segid "RN14" and resid 655 and name HN )) ( segid "RN14" and resid 659 and name HG2%) ASSI { 1797} (( segid "RN14" and resid 655 and name HN )) (( segid "RN15" and resid 206 and name HB2 )) 5.500 3.800 0.500 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.19386E-03 ppm1 8.694 ppm2 4.088 CV 1 OR { 1797} (( segid "RN14" and resid 655 and name HN )) (( segid "RN14" and resid 657 and name HA )) ASSI { 1813} (( segid "RN14" and resid 656 and name HN )) (( segid "RN14" and resid 656 and name HA )) 2.300 0.700 0.700 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.94555E-02 ppm1 8.107 ppm2 3.899 CV 1 OR { 1813} (( segid "RN14" and resid 656 and name HN )) (( segid "RN14" and resid 655 and name HA )) ASSI { 1814} (( segid "RN14" and resid 656 and name HN )) (( segid "RN15" and resid 199 and name HB1 )) 4.600 2.700 1.400 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.23513E-02 ppm1 8.104 ppm2 1.883 CV 1 OR { 1814} (( segid "RN14" and resid 656 and name HN )) (( segid "RN14" and resid 657 and name HB1 )) ASSI { 1815} (( segid "RN14" and resid 656 and name HN )) (( segid "RN14" and resid 657 and name HA )) 4.500 2.600 1.500 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.82046E-03 ppm1 8.110 ppm2 4.094 CV 1 OR { 1815} (( segid "RN14" and resid 656 and name HN )) (( segid "RN15" and resid 206 and name HB2 )) ASSI { 1830} (( segid "RN15" and resid 219 and name HN )) (( segid "RN15" and resid 213 and name HB2 )) 6.000 6.000 0.000 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.31518E-04 ppm1 7.487 ppm2 1.531 CV 1 OR { 1830} (( segid "RN15" and resid 219 and name HN )) (( segid "RN15" and resid 218 and name HG11)) OR { 1830} (( segid "RN15" and resid 219 and name HN )) (( segid "RN15" and resid 220 and name HG2 )) ASSI { 1831} (( segid "RN15" and resid 219 and name HN )) ( segid "RN15" and resid 213 and name HD1%) 6.000 5.800 0.000 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.78796E-04 ppm1 7.487 ppm2 0.919 CV 1 OR { 1831} (( segid "RN15" and resid 219 and name HN )) ( segid "RN15" and resid 218 and name HD1%) OR { 1831} (( segid "RN14" and resid 656 and name HE21)) ( segid "RN14" and resid 659 and name HG1%) ASSI { 1833} (( segid "RN14" and resid 656 and name HE22)) ( segid "RN14" and resid 659 and name HG1%) 2.800 2.800 3.200 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.11043E-02 ppm1 6.827 ppm2 0.908 CV 1 OR { 1833} (( segid "RN15" and resid 232 and name HE22)) ( segid "RN15" and resid 225 and name HG2%) OR { 1833} (( segid "RN14" and resid 665 and name HE22)) ( segid "RN14" and resid 659 and name HG1%) OR { 1833} (( segid "RN15" and resid 232 and name HE22)) ( segid "RN15" and resid 225 and name HD1%) OR { 1833} (( segid "RN14" and resid 649 and name HD22)) ( segid "RN15" and resid 165 and name HD1%) OR { 1833} (( segid "RN15" and resid 133 and name HE22)) (( segid "RN15" and resid 144 and name HG2 )) ASSI { 1834} (( segid "RN14" and resid 656 and name HE22)) ( segid "RN15" and resid 196 and name HB% ) 6.000 6.000 0.000 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.23263E-04 ppm1 6.832 ppm2 1.488 CV 1 OR { 1834} (( segid "RN15" and resid 232 and name HE22)) ( segid "RN15" and resid 228 and name HB% ) ASSI { 1842} (( segid "RN14" and resid 657 and name HN )) (( segid "RN14" and resid 656 and name HA )) 3.100 1.200 1.200 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.17760E-02 ppm1 8.532 ppm2 3.905 CV 1 OR { 1842} (( segid "RN15" and resid 183 and name HN )) (( segid "RN15" and resid 180 and name HA )) OR { 1842} (( segid "RN14" and resid 657 and name HN )) (( segid "RN14" and resid 655 and name HA )) ASSI { 1844} (( segid "RN14" and resid 657 and name HN )) (( segid "RN14" and resid 654 and name HA )) 5.100 3.200 0.900 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.27515E-03 ppm1 8.531 ppm2 4.395 CV 1 OR { 1844} (( segid "RN14" and resid 657 and name HN )) (( segid "RN14" and resid 660 and name HA )) ASSI { 1852} (( segid "RN14" and resid 658 and name HN )) (( segid "RN14" and resid 655 and name HA )) 3.200 1.300 1.300 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.14383E-02 ppm1 8.809 ppm2 3.906 CV 1 OR { 1852} (( segid "RN14" and resid 658 and name HN )) (( segid "RN14" and resid 656 and name HA )) ASSI { 1853} (( segid "RN14" and resid 658 and name HN )) (( segid "RN14" and resid 658 and name HG )) 4.900 3.000 1.100 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.40773E-03 ppm1 8.808 ppm2 1.599 CV 1 OR { 1853} (( segid "RN14" and resid 658 and name HN )) ( segid "RN14" and resid 655 and name HB% ) ASSI { 1854} (( segid "RN14" and resid 658 and name HN )) ( segid "RN14" and resid 658 and name HD1%) 4.700 2.700 1.300 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.72918E-03 ppm1 8.808 ppm2 0.970 CV 1 OR { 1854} (( segid "RN14" and resid 658 and name HN )) ( segid "RN14" and resid 659 and name HG2%) OR { 1854} (( segid "RN14" and resid 658 and name HN )) ( segid "RN15" and resid 199 and name HD1%) ASSI { 1856} (( segid "RN14" and resid 658 and name HN )) (( segid "RN14" and resid 661 and name HB2 )) 4.700 2.800 1.300 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.50778E-03 ppm1 8.810 ppm2 3.283 CV 1 OR { 1856} (( segid "RN14" and resid 658 and name HN )) (( segid "RN14" and resid 659 and name HA )) ASSI { 1870} (( segid "RN14" and resid 659 and name HN )) (( segid "RN14" and resid 656 and name HA )) 2.800 1.000 1.000 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.44275E-02 ppm1 8.248 ppm2 3.903 CV 1 OR { 1870} (( segid "RN14" and resid 659 and name HN )) (( segid "RN14" and resid 655 and name HA )) ASSI { 1871} (( segid "RN14" and resid 659 and name HN )) (( segid "RN14" and resid 658 and name HA )) 3.200 1.300 1.300 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.11043E-02 ppm1 8.248 ppm2 4.249 CV 1 OR { 1871} (( segid "RN14" and resid 659 and name HN )) (( segid "RN14" and resid 661 and name HA )) ASSI { 1872} (( segid "RN14" and resid 659 and name HN )) (( segid "RN14" and resid 658 and name HG )) 4.100 2.100 1.900 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.58033E-03 ppm1 8.248 ppm2 1.594 CV 1 OR { 1872} (( segid "RN14" and resid 659 and name HN )) ( segid "RN14" and resid 655 and name HB% ) ASSI { 1874} (( segid "RN14" and resid 659 and name HN )) (( segid "RN14" and resid 657 and name HN )) 4.400 2.400 1.600 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.25014E-03 ppm1 8.250 ppm2 8.512 CV 1 OR { 1874} (( segid "RN14" and resid 659 and name HN )) (( segid "RN14" and resid 663 and name HN )) ASSI { 1921} (( segid "RN14" and resid 661 and name HN )) (( segid "RN14" and resid 661 and name HA )) 2.300 0.700 0.700 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.88426E-02 ppm1 8.141 ppm2 4.244 CV 1 OR { 1921} (( segid "RN14" and resid 661 and name HN )) (( segid "RN14" and resid 658 and name HA )) OR { 1921} (( segid "RN15" and resid 141 and name HN )) (( segid "RN15" and resid 138 and name HA )) ASSI { 1923} (( segid "RN15" and resid 141 and name HN )) ( segid "RN15" and resid 141 and name HD2%) 4.000 2.000 2.000 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.13132E-02 ppm1 8.140 ppm2 0.948 CV 1 OR { 1923} (( segid "RN14" and resid 661 and name HN )) ( segid "RN14" and resid 658 and name HD1%) OR { 1923} (( segid "RN15" and resid 141 and name HN )) ( segid "RN15" and resid 201 and name HD2%) ASSI { 1925} (( segid "RN15" and resid 141 and name HN )) (( segid "RN15" and resid 145 and name HN )) 5.500 3.800 0.500 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.24389E-03 ppm1 8.137 ppm2 7.695 CV 1 OR { 1925} (( segid "RN14" and resid 661 and name HN )) (( segid "RN14" and resid 660 and name HD21)) ASSI { 1926} (( segid "RN14" and resid 661 and name HN )) (( segid "RN14" and resid 657 and name HA )) 5.700 4.100 0.300 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.80292E-04 ppm1 8.134 ppm2 4.086 CV 1 OR { 1926} (( segid "RN15" and resid 141 and name HN )) (( segid "RN15" and resid 197 and name HB1 )) OR { 1926} (( segid "RN15" and resid 141 and name HN )) (( segid "RN15" and resid 197 and name HB2 )) ASSI { 1941} (( segid "RN14" and resid 662 and name HN )) (( segid "RN14" and resid 658 and name HG )) 3.900 1.900 1.900 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.12882E-02 ppm1 8.908 ppm2 1.615 CV 1 OR { 1941} (( segid "RN14" and resid 662 and name HN )) (( segid "RN14" and resid 662 and name HG )) OR { 1941} (( segid "RN14" and resid 662 and name HN )) (( segid "RN14" and resid 665 and name HB1 )) ASSI { 1944} (( segid "RN14" and resid 662 and name HN )) (( segid "RN14" and resid 660 and name HA )) 5.600 4.000 0.400 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.11681E-03 ppm1 8.915 ppm2 4.358 CV 1 OR { 1944} (( segid "RN14" and resid 662 and name HN )) (( segid "RN15" and resid 209 and name HB )) ASSI { 1945} (( segid "RN14" and resid 662 and name HN )) (( segid "RN14" and resid 663 and name HD21)) 5.300 3.500 0.700 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.36895E-03 ppm1 8.906 ppm2 7.540 CV 1 OR { 1945} (( segid "RN14" and resid 662 and name HN )) (( segid "RN14" and resid 665 and name HE21)) ASSI { 1962} (( segid "RN14" and resid 663 and name HN )) (( segid "RN14" and resid 659 and name HA )) 3.900 1.900 1.900 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.86547E-03 ppm1 8.514 ppm2 3.278 CV 1 OR { 1962} (( segid "RN14" and resid 663 and name HN )) (( segid "RN14" and resid 661 and name HB2 )) ASSI { 1963} (( segid "RN14" and resid 663 and name HN )) (( segid "RN14" and resid 662 and name HG )) 3.700 1.700 1.700 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.97176E-03 ppm1 8.513 ppm2 1.606 CV 1 OR { 1963} (( segid "RN14" and resid 663 and name HN )) (( segid "RN14" and resid 665 and name HB1 )) OR { 1963} (( segid "RN14" and resid 663 and name HN )) (( segid "RN15" and resid 189 and name HB1 )) ASSI { 1964} (( segid "RN14" and resid 663 and name HN )) ( segid "RN14" and resid 659 and name HG1%) 4.100 2.100 1.900 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.59158E-03 ppm1 8.507 ppm2 0.918 CV 1 OR { 1964} (( segid "RN14" and resid 663 and name HN )) ( segid "RN15" and resid 213 and name HD1%) ASSI { 1967} (( segid "RN14" and resid 663 and name HN )) (( segid "RN15" and resid 192 and name HB2 )) 5.100 3.300 0.900 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.30767E-03 ppm1 8.511 ppm2 1.930 CV 1 OR { 1967} (( segid "RN14" and resid 663 and name HN )) (( segid "RN14" and resid 665 and name HB2 )) OR { 1967} (( segid "RN14" and resid 663 and name HN )) (( segid "RN15" and resid 192 and name HB1 )) OR { 1967} (( segid "RN14" and resid 663 and name HN )) (( segid "RN15" and resid 192 and name HG1 )) ASSI { 2012} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 664 and name HB2 )) 3.700 1.700 1.700 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.26139E-02 ppm1 8.121 ppm2 2.710 CV 1 OR { 2012} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 663 and name HB1 )) ASSI { 2015} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 663 and name HB2 )) 3.400 1.400 1.400 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.36895E-03 ppm1 8.122 ppm2 2.910 CV 1 OR { 2015} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 660 and name HB2 )) ASSI { 2016} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 662 and name HB1 )) 6.000 4.800 0.000 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.11294E-03 ppm1 8.113 ppm2 1.782 CV 1 OR { 2016} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 667 and name HB1 )) ASSI { 2017} (( segid "RN14" and resid 665 and name HN )) (( segid "RN14" and resid 667 and name HG2 )) 5.800 4.200 0.200 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.14258E-03 ppm1 8.125 ppm2 2.115 CV 1 OR { 2017} (( segid "RN14" and resid 665 and name HN )) (( segid "RN15" and resid 185 and name HG1 )) ASSI { 2039} (( segid "RN14" and resid 666 and name HN )) (( segid "RN14" and resid 665 and name HB2 )) 3.700 1.700 1.700 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.13633E-02 ppm1 6.669 ppm2 1.957 CV 1 OR { 2039} (( segid "RN14" and resid 666 and name HN )) (( segid "RN15" and resid 218 and name HB )) ASSI { 2040} (( segid "RN14" and resid 666 and name HN )) (( segid "RN14" and resid 665 and name HB1 )) 3.800 1.800 1.800 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.22012E-02 ppm1 6.668 ppm2 1.598 CV 1 OR { 2040} (( segid "RN14" and resid 666 and name HN )) (( segid "RN14" and resid 662 and name HG )) ASSI { 2041} (( segid "RN14" and resid 666 and name HN )) ( segid "RN14" and resid 662 and name HD1%) 5.000 3.100 1.000 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.71039E-03 ppm1 6.668 ppm2 0.859 CV 1 OR { 2041} (( segid "RN14" and resid 666 and name HN )) ( segid "RN15" and resid 213 and name HD2%) ASSI { 2042} (( segid "RN14" and resid 666 and name HN )) (( segid "RN14" and resid 667 and name HG2 )) 5.200 3.400 0.800 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.19886E-03 ppm1 6.669 ppm2 2.129 CV 1 OR { 2042} (( segid "RN14" and resid 666 and name HN )) (( segid "RN15" and resid 185 and name HG1 )) ASSI { 2067} (( segid "RN14" and resid 667 and name HN )) (( segid "RN14" and resid 668 and name HG12)) 5.100 3.200 0.900 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.44650E-03 ppm1 8.336 ppm2 1.192 CV 1 OR { 2067} (( segid "RN14" and resid 667 and name HN )) (( segid "RN15" and resid 218 and name HG12)) ASSI { 2083} (( segid "RN14" and resid 668 and name HN )) (( segid "RN14" and resid 669 and name HD2 )) 4.400 2.400 1.600 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.83793E-03 ppm1 9.139 ppm2 4.035 CV 1 OR { 2083} (( segid "RN14" and resid 668 and name HN )) (( segid "RN15" and resid 178 and name HA )) ASSI { 2084} (( segid "RN14" and resid 668 and name HN )) ( segid "RN15" and resid 218 and name HD1%) 4.800 2.900 1.200 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.52654E-03 ppm1 9.138 ppm2 0.888 CV 1 OR { 2084} (( segid "RN14" and resid 668 and name HN )) ( segid "RN15" and resid 213 and name HD2%) ASSI { 2085} (( segid "RN14" and resid 668 and name HN )) (( segid "RN15" and resid 185 and name HG1 )) 4.200 2.300 1.800 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.12757E-02 ppm1 9.140 ppm2 2.145 CV 1 OR { 2085} (( segid "RN14" and resid 668 and name HN )) (( segid "RN14" and resid 667 and name HG2 )) ASSI { 2088} (( segid "RN14" and resid 668 and name HN )) (( segid "RN14" and resid 669 and name HA )) 4.300 2.300 1.700 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.79167E-03 ppm1 9.133 ppm2 4.538 CV 1 OR { 2088} (( segid "RN14" and resid 668 and name HN )) (( segid "RN15" and resid 185 and name HA )) ASSI { 2103} (( segid "RN14" and resid 670 and name HN )) (( segid "RN14" and resid 669 and name HD2 )) 3.700 1.700 1.700 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.20386E-03 ppm1 8.051 ppm2 4.067 CV 1 OR { 2103} (( segid "RN14" and resid 670 and name HN )) (( segid "RN15" and resid 178 and name HA )) ASSI { 2105} (( segid "RN14" and resid 670 and name HN )) (( segid "RN14" and resid 667 and name HB1 )) 4.300 2.300 1.700 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.92801E-04 ppm1 8.052 ppm2 1.777 CV 1 OR { 2105} (( segid "RN14" and resid 670 and name HN )) (( segid "RN15" and resid 174 and name HD1 )) OR { 2105} (( segid "RN14" and resid 670 and name HN )) (( segid "RN15" and resid 174 and name HD2 )) OR { 2105} (( segid "RN14" and resid 670 and name HN )) (( segid "RN15" and resid 179 and name HD1 )) ASSI { 2119} (( segid "RN14" and resid 671 and name HN )) (( segid "RN15" and resid 174 and name HG2 )) 6.000 5.100 0.000 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.82297E-05 ppm1 8.330 ppm2 1.413 CV 1 OR { 2119} (( segid "RN14" and resid 671 and name HN )) (( segid "RN15" and resid 181 and name HB2 )) ASSI { 2120} (( segid "RN14" and resid 671 and name HN )) (( segid "RN14" and resid 669 and name HB2 )) 4.300 2.300 1.700 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.31017E-03 ppm1 8.331 ppm2 1.968 CV 1 OR { 2120} (( segid "RN14" and resid 671 and name HN )) (( segid "RN14" and resid 672 and name HB2 )) ASSI { 2134} (( segid "RN14" and resid 672 and name HN )) ( segid "RN14" and resid 670 and name HG2%) 3.400 1.500 1.500 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.44899E-03 ppm1 8.586 ppm2 1.225 CV 1 OR { 2134} (( segid "RN14" and resid 672 and name HN )) ( segid "RN14" and resid 674 and name HG2%) !!
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