NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
5211 | 1go1 | 5485 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
!ambiguous NOE for CNS/ARIA ASSI { 10} ( segid " " and resid 10 and name HB% ) (( segid " " and resid 91 and name HB2 )) 2.400 0.700 0.700 peak 10 spectrum 1 weight 0.10000E+01 volume 0.49439E-02 ppm1 1.325 ppm2 3.620 CV 1 OR { 10} ( segid " " and resid 10 and name HB% ) (( segid " " and resid 7 and name HA )) ASSI { 23} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HN )) 3.100 1.200 1.200 peak 23 spectrum 1 weight 0.10000E+01 volume 0.13956E-02 ppm1 3.885 ppm2 8.278 CV 1 OR { 23} (( segid " " and resid 27 and name HA )) (( segid " " and resid 28 and name HN )) ASSI { 35} ( segid " " and resid 27 and name HB% ) (( segid " " and resid 27 and name HN )) 2.200 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.94937E-02 ppm1 1.405 ppm2 8.263 CV 1 OR { 35} ( segid " " and resid 27 and name HB% ) (( segid " " and resid 28 and name HN )) ASSI { 57} ( segid " " and resid 38 and name HB% ) (( segid " " and resid 39 and name HA )) 3.800 1.800 1.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.10037E-02 ppm1 1.569 ppm2 3.962 CV 1 OR { 57} ( segid " " and resid 38 and name HB% ) (( segid " " and resid 81 and name HB2 )) OR { 57} ( segid " " and resid 38 and name HB% ) (( segid " " and resid 81 and name HB3 )) ASSI { 104} ( segid " " and resid 53 and name HB% ) (( segid " " and resid 58 and name HN )) 3.600 1.600 1.600 peak 104 spectrum 1 weight 0.10000E+01 volume 0.12490E-02 ppm1 1.497 ppm2 8.225 CV 1 OR { 104} ( segid " " and resid 53 and name HB% ) (( segid " " and resid 52 and name HN )) ASSI { 125} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 84 and name HN )) 2.400 0.700 0.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.70444E-02 ppm1 0.939 ppm2 9.009 CV 1 OR { 125} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 85 and name HN )) ASSI { 148} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HB2 )) 2.900 1.100 1.100 peak 148 spectrum 1 weight 0.10000E+01 volume 0.25820E-02 ppm1 4.301 ppm2 2.026 CV 1 OR { 148} (( segid " " and resid 44 and name HA )) (( segid " " and resid 43 and name HB2 )) OR { 148} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HB3 )) ASSI { 222} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 21 and name HA )) 2.600 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.40647E-02 ppm1 0.968 ppm2 3.885 CV 1 OR { 222} ( segid " " and resid 24 and name HD1%) (( segid " " and resid 45 and name HA )) ASSI { 250} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 27 and name HA )) 2.900 1.100 1.100 peak 250 spectrum 1 weight 0.10000E+01 volume 0.22841E-02 ppm1 0.692 ppm2 3.906 CV 1 OR { 250} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 59 and name HD2 )) ASSI { 253} ( segid " " and resid 35 and name HD1%) ( segid " " and resid 35 and name HG2%) 2.100 0.600 0.600 peak 253 spectrum 1 weight 0.10000E+01 volume 0.94679E-02 ppm1 0.693 ppm2 0.896 CV 1 OR { 253} ( segid " " and resid 35 and name HD1%) ( segid " " and resid 58 and name HD1%) ASSI { 254} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 53 and name HN )) 4.300 2.300 1.700 peak 254 spectrum 1 weight 0.10000E+01 volume 0.95029E-03 ppm1 0.693 ppm2 9.020 CV 1 OR { 254} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 36 and name HN )) ASSI { 256} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 53 and name HA )) 3.400 1.400 1.400 peak 256 spectrum 1 weight 0.10000E+01 volume 0.14603E-02 ppm1 0.693 ppm2 3.977 CV 1 OR { 256} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 23 and name HA )) ASSI { 257} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 35 and name HA )) 3.700 1.800 1.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.15930E-02 ppm1 0.693 ppm2 4.921 CV 1 OR { 257} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 60 and name HA )) ASSI { 265} ( segid " " and resid 35 and name HG2%) ( segid " " and resid 35 and name HD1%) 1.800 0.400 0.400 peak 265 spectrum 1 weight 0.10000E+01 volume 0.23631E-01 ppm1 0.886 ppm2 0.720 CV 1 OR { 265} ( segid " " and resid 35 and name HG2%) ( segid " " and resid 49 and name HG2%) ASSI { 273} (( segid " " and resid 36 and name HA )) ( segid " " and resid 60 and name HG2%) 4.000 2.000 2.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.91315E-03 ppm1 5.480 ppm2 0.733 CV 1 OR { 273} (( segid " " and resid 36 and name HA )) ( segid " " and resid 49 and name HG2%) OR { 273} (( segid " " and resid 36 and name HA )) ( segid " " and resid 35 and name HD1%) OR { 273} (( segid " " and resid 36 and name HA )) ( segid " " and resid 83 and name HD2%) ASSI { 279} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 36 and name HN )) 4.000 2.000 2.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.93676E-03 ppm1 0.773 ppm2 9.016 CV 1 OR { 279} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 85 and name HN )) ASSI { 286} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 93 and name HD1%) 2.200 0.600 0.600 peak 286 spectrum 1 weight 0.10000E+01 volume 0.85650E-02 ppm1 0.776 ppm2 0.443 CV 1 OR { 286} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 7 and name HD1%) ASSI { 287} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 83 and name HD1%) 2.100 0.500 0.500 peak 287 spectrum 1 weight 0.10000E+01 volume 0.17643E-01 ppm1 0.776 ppm2 0.651 CV 1 OR { 287} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 34 and name HD2%) ASSI { 291} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 62 and name HA )) 3.600 1.600 1.600 peak 291 spectrum 1 weight 0.10000E+01 volume 0.14699E-02 ppm1 0.995 ppm2 4.623 CV 1 OR { 291} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 38 and name HA )) ASSI { 292} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 63 and name HB2 )) 2.600 0.800 0.800 peak 292 spectrum 1 weight 0.10000E+01 volume 0.29040E-02 ppm1 0.996 ppm2 2.738 CV 1 OR { 292} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 61 and name HB3 )) ASSI { 300} ( segid " " and resid 36 and name HG2%) ( segid " " and resid 70 and name HD2%) 2.800 1.000 1.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.34255E-02 ppm1 0.997 ppm2 0.568 CV 1 OR { 300} ( segid " " and resid 36 and name HG2%) ( segid " " and resid 85 and name HG2%) ASSI { 341} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 30 and name HA2 )) 3.400 1.500 1.500 peak 341 spectrum 1 weight 0.10000E+01 volume 0.19991E-02 ppm1 0.856 ppm2 4.359 CV 1 OR { 341} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 58 and name HA )) ASSI { 351} ( segid " " and resid 58 and name HD1%) ( segid " " and resid 58 and name HG2%) 2.000 0.500 0.500 peak 351 spectrum 1 weight 0.10000E+01 volume 0.15309E-01 ppm1 0.859 ppm2 0.717 CV 1 OR { 351} ( segid " " and resid 58 and name HD1%) ( segid " " and resid 35 and name HD1%) ASSI { 443} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB2 )) 2.800 1.000 1.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.20550E-02 ppm1 3.595 ppm2 1.305 CV 1 OR { 443} (( segid " " and resid 7 and name HA )) ( segid " " and resid 10 and name HB% ) OR { 443} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB3 )) ASSI { 450} ( segid " " and resid 7 and name HD1%) ( segid " " and resid 83 and name HD2%) 2.400 0.700 0.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.55152E-02 ppm1 0.423 ppm2 0.711 CV 1 OR { 450} ( segid " " and resid 7 and name HD1%) ( segid " " and resid 16 and name HG2%) ASSI { 455} ( segid " " and resid 7 and name HD2%) (( segid " " and resid 4 and name HA )) 3.500 1.600 1.600 peak 455 spectrum 1 weight 0.10000E+01 volume 0.16927E-02 ppm1 0.444 ppm2 3.625 CV 1 OR { 455} ( segid " " and resid 7 and name HD2%) (( segid " " and resid 7 and name HA )) ASSI { 464} ( segid " " and resid 70 and name HD1%) ( segid " " and resid 83 and name HD2%) 2.500 0.800 0.800 peak 464 spectrum 1 weight 0.10000E+01 volume 0.42927E-02 ppm1 0.300 ppm2 0.723 CV 1 OR { 464} ( segid " " and resid 70 and name HD1%) ( segid " " and resid 74 and name HD1%) ASSI { 468} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 74 and name HG )) 2.900 1.100 1.100 peak 468 spectrum 1 weight 0.10000E+01 volume 0.16822E-02 ppm1 0.304 ppm2 1.607 CV 1 OR { 468} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 80 and name HB )) ASSI { 473} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 83 and name HG )) 2.500 0.800 0.800 peak 473 spectrum 1 weight 0.10000E+01 volume 0.32010E-02 ppm1 0.528 ppm2 1.593 CV 1 OR { 473} ( segid " " and resid 70 and name HD2%) ( segid " " and resid 38 and name HB% ) ASSI { 474} ( segid " " and resid 70 and name HD2%) ( segid " " and resid 83 and name HD2%) 2.400 0.700 0.700 peak 474 spectrum 1 weight 0.10000E+01 volume 0.48126E-02 ppm1 0.528 ppm2 0.711 CV 1 OR { 474} ( segid " " and resid 70 and name HD2%) ( segid " " and resid 80 and name HG1%) ASSI { 569} (( segid " " and resid 43 and name HA )) (( segid " " and resid 42 and name HB3 )) 3.200 1.300 1.300 peak 569 spectrum 1 weight 0.10000E+01 volume 0.19847E-02 ppm1 4.077 ppm2 2.059 CV 1 OR { 569} (( segid " " and resid 43 and name HA )) (( segid " " and resid 45 and name HB )) OR { 569} (( segid " " and resid 43 and name HA )) (( segid " " and resid 42 and name HB2 )) ASSI { 582} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HN )) 3.100 1.200 1.200 peak 582 spectrum 1 weight 0.10000E+01 volume 0.14169E-02 ppm1 3.709 ppm2 8.112 CV 1 OR { 582} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HN )) ASSI { 611} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HN )) 2.600 0.900 0.900 peak 611 spectrum 1 weight 0.10000E+01 volume 0.29696E-02 ppm1 3.966 ppm2 7.917 CV 1 OR { 611} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name HN )) ASSI { 623} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 93 and name HB )) 2.700 0.900 0.900 peak 623 spectrum 1 weight 0.10000E+01 volume 0.27594E-02 ppm1 3.607 ppm2 1.521 CV 1 OR { 623} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 6 and name HB3 )) ASSI { 651} ( segid " " and resid 66 and name HG2%) (( segid " " and resid 65 and name HA1 )) 3.500 1.600 1.600 peak 651 spectrum 1 weight 0.10000E+01 volume 0.88156E-03 ppm1 1.239 ppm2 3.217 CV 1 OR { 651} ( segid " " and resid 66 and name HG2%) (( segid " " and resid 40 and name HB2 )) ASSI { 734} ( segid " " and resid 60 and name HG1%) ( segid " " and resid 37 and name HG2%) 2.500 0.800 0.800 peak 734 spectrum 1 weight 0.10000E+01 volume 0.48039E-02 ppm1 0.692 ppm2 0.931 CV 1 OR { 734} ( segid " " and resid 60 and name HG1%) ( segid " " and resid 35 and name HG2%) ASSI { 756} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HB3 )) 4.000 2.000 2.000 peak 756 spectrum 1 weight 0.10000E+01 volume 0.95104E-03 ppm1 3.831 ppm2 2.258 CV 1 OR { 756} (( segid " " and resid 68 and name HA )) (( segid " " and resid 70 and name HB2 )) ASSI { 798} ( segid " " and resid 85 and name HG1%) (( segid " " and resid 16 and name HG12)) 3.000 1.100 1.100 peak 798 spectrum 1 weight 0.10000E+01 volume 0.21050E-02 ppm1 0.462 ppm2 1.320 CV 1 OR { 798} ( segid " " and resid 85 and name HG1%) ( segid " " and resid 10 and name HB% ) ASSI { 799} ( segid " " and resid 85 and name HG1%) (( segid " " and resid 88 and name HB3 )) 3.100 1.200 1.200 peak 799 spectrum 1 weight 0.10000E+01 volume 0.25276E-02 ppm1 0.462 ppm2 1.643 CV 1 OR { 799} ( segid " " and resid 85 and name HG1%) (( segid " " and resid 86 and name HB )) ASSI { 803} ( segid " " and resid 85 and name HG1%) ( segid " " and resid 85 and name HG2%) 1.900 0.500 0.500 peak 803 spectrum 1 weight 0.10000E+01 volume 0.18816E-01 ppm1 0.468 ppm2 0.613 CV 1 OR { 803} ( segid " " and resid 85 and name HG1%) ( segid " " and resid 93 and name HG2%) ASSI { 830} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HN )) 2.700 0.900 0.900 peak 830 spectrum 1 weight 0.10000E+01 volume 0.27162E-02 ppm1 3.990 ppm2 8.237 CV 1 OR { 830} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HN )) ASSI { 838} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HN )) 2.900 1.100 1.100 peak 838 spectrum 1 weight 0.10000E+01 volume 0.19349E-02 ppm1 4.024 ppm2 8.207 CV 1 OR { 838} (( segid " " and resid 51 and name HA )) (( segid " " and resid 52 and name HN )) ASSI { 30} (( segid " " and resid 32 and name HN )) ( segid " " and resid 58 and name HG2%) 4.100 2.100 1.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.54753E-03 ppm1 6.897 ppm2 0.709 CV 1 OR { 30} (( segid " " and resid 32 and name HN )) ( segid " " and resid 35 and name HD1%) ASSI { 64} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) 2.600 0.900 0.900 peak 64 spectrum 1 weight 0.10000E+01 volume 0.38297E-02 ppm1 9.017 ppm2 4.014 CV 1 OR { 64} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HA )) ASSI { 65} (( segid " " and resid 53 and name HN )) ( segid " " and resid 49 and name HG2%) 3.400 1.400 1.400 peak 65 spectrum 1 weight 0.10000E+01 volume 0.16998E-02 ppm1 9.018 ppm2 0.736 CV 1 OR { 65} (( segid " " and resid 53 and name HN )) ( segid " " and resid 60 and name HG2%) ASSI { 67} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HA )) 3.500 1.600 1.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.15040E-02 ppm1 7.266 ppm2 4.373 CV 1 OR { 67} (( segid " " and resid 82 and name HN )) (( segid " " and resid 80 and name HA )) ASSI { 75} (( segid " " and resid 82 and name HN )) ( segid " " and resid 80 and name HG2%) 4.400 2.400 1.600 peak 75 spectrum 1 weight 0.10000E+01 volume 0.81106E-03 ppm1 7.269 ppm2 0.910 CV 1 OR { 75} (( segid " " and resid 82 and name HN )) ( segid " " and resid 37 and name HG1%) ASSI { 91} (( segid " " and resid 95 and name HN )) (( segid " " and resid 92 and name HB3 )) 3.700 1.700 1.700 peak 91 spectrum 1 weight 0.10000E+01 volume 0.46777E-03 ppm1 7.998 ppm2 1.233 CV 1 OR { 91} (( segid " " and resid 95 and name HN )) (( segid " " and resid 93 and name HG13)) ASSI { 120} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB3 )) 3.100 1.200 1.200 peak 120 spectrum 1 weight 0.10000E+01 volume 0.42725E-02 ppm1 8.629 ppm2 2.044 CV 1 OR { 120} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HB2 )) ASSI { 133} (( segid " " and resid 87 and name HN )) ( segid " " and resid 85 and name HG1%) 3.400 1.500 1.500 peak 133 spectrum 1 weight 0.10000E+01 volume 0.15591E-02 ppm1 7.885 ppm2 0.522 CV 1 OR { 133} (( segid " " and resid 87 and name HN )) ( segid " " and resid 86 and name HG2%) ASSI { 140} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB3 )) 3.400 1.500 1.500 peak 140 spectrum 1 weight 0.10000E+01 volume 0.84060E-03 ppm1 7.979 ppm2 1.845 CV 1 OR { 140} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB2 )) OR { 140} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB3 )) ASSI { 153} (( segid " " and resid 50 and name HN )) (( segid " " and resid 47 and name HA )) 3.300 1.300 1.300 peak 153 spectrum 1 weight 0.10000E+01 volume 0.15366E-02 ppm1 8.262 ppm2 4.004 CV 1 OR { 153} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HA )) ASSI { 170} (( segid " " and resid 6 and name HN )) (( segid " " and resid 4 and name HA )) 3.800 1.800 1.800 peak 170 spectrum 1 weight 0.10000E+01 volume 0.79511E-03 ppm1 8.390 ppm2 3.635 CV 1 OR { 170} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HA )) ASSI { 212} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HN )) 2.400 0.700 0.700 peak 212 spectrum 1 weight 0.10000E+01 volume 0.49233E-02 ppm1 7.902 ppm2 8.382 CV 1 OR { 212} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HN )) ASSI { 276} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HN )) 3.500 1.500 1.500 peak 276 spectrum 1 weight 0.10000E+01 volume 0.98236E-03 ppm1 5.588 ppm2 8.379 CV 1 OR { 276} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HN )) ASSI { 279} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HA )) 3.200 1.300 1.300 peak 279 spectrum 1 weight 0.10000E+01 volume 0.11488E-02 ppm1 7.727 ppm2 3.809 CV 1 OR { 279} (( segid " " and resid 71 and name HN )) (( segid " " and resid 68 and name HA )) ASSI { 323} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA )) 3.000 1.200 1.200 peak 323 spectrum 1 weight 0.10000E+01 volume 0.28938E-02 ppm1 6.894 ppm2 4.597 CV 1 OR { 323} (( segid " " and resid 78 and name HN )) (( segid " " and resid 76 and name HA )) ASSI { 346} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB )) 2.500 0.800 0.800 peak 346 spectrum 1 weight 0.10000E+01 volume 0.42660E-02 ppm1 8.610 ppm2 1.655 CV 1 OR { 346} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB2 )) ASSI { 365} (( segid " " and resid 49 and name HN )) (( segid " " and resid 45 and name HA )) 3.700 1.700 1.700 peak 365 spectrum 1 weight 0.10000E+01 volume 0.55514E-03 ppm1 8.358 ppm2 3.877 CV 1 OR { 365} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 374} (( segid " " and resid 49 and name HN )) ( segid " " and resid 24 and name HD1%) 3.900 1.900 1.900 peak 374 spectrum 1 weight 0.10000E+01 volume 0.70051E-03 ppm1 8.370 ppm2 0.948 CV 1 OR { 374} (( segid " " and resid 49 and name HN )) ( segid " " and resid 37 and name HG1%) ASSI { 465} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 2.400 0.700 0.700 peak 465 spectrum 1 weight 0.10000E+01 volume 0.56252E-02 ppm1 7.265 ppm2 4.015 CV 1 OR { 465} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA )) ASSI { 492} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HB )) 4.600 2.700 1.400 peak 492 spectrum 1 weight 0.10000E+01 volume 0.37578E-03 ppm1 8.973 ppm2 1.915 CV 1 OR { 492} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HB3 )) ASSI { 500} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 2.600 0.900 0.900 peak 500 spectrum 1 weight 0.10000E+01 volume 0.41194E-02 ppm1 8.307 ppm2 4.020 CV 1 OR { 500} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HA )) ASSI { 503} (( segid " " and resid 74 and name HN )) (( segid " " and resid 70 and name HA )) 4.300 2.300 1.700 peak 503 spectrum 1 weight 0.10000E+01 volume 0.44184E-03 ppm1 7.177 ppm2 3.796 CV 1 OR { 503} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HA1 )) ASSI { 516} (( segid " " and resid 83 and name HN )) ( segid " " and resid 37 and name HG1%) 3.200 1.300 1.300 peak 516 spectrum 1 weight 0.10000E+01 volume 0.17266E-02 ppm1 9.126 ppm2 0.906 CV 1 OR { 516} (( segid " " and resid 83 and name HN )) ( segid " " and resid 35 and name HG2%) ASSI { 546} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA )) 3.400 1.400 1.400 peak 546 spectrum 1 weight 0.10000E+01 volume 0.13670E-02 ppm1 7.825 ppm2 3.812 CV 1 OR { 546} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HA2 )) ASSI { 607} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HN )) 3.800 1.800 1.800 peak 607 spectrum 1 weight 0.10000E+01 volume 0.49513E-03 ppm1 7.586 ppm2 8.225 CV 1 OR { 607} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HN )) ASSI { 609} (( segid " " and resid 54 and name HN )) ( segid " " and resid 60 and name HG2%) 3.800 1.800 1.800 peak 609 spectrum 1 weight 0.10000E+01 volume 0.77473E-03 ppm1 7.594 ppm2 0.709 CV 1 OR { 609} (( segid " " and resid 54 and name HN )) ( segid " " and resid 55 and name HD2%) ASSI { 612} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA )) 2.600 0.800 0.800 peak 612 spectrum 1 weight 0.10000E+01 volume 0.45531E-02 ppm1 7.595 ppm2 4.035 CV 1 OR { 612} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HA )) ASSI { 616} (( segid " " and resid 54 and name HN )) (( segid " " and resid 56 and name HN )) 4.200 2.200 1.800 peak 616 spectrum 1 weight 0.10000E+01 volume 0.34104E-03 ppm1 7.599 ppm2 7.899 CV 1 OR { 616} (( segid " " and resid 54 and name HN )) (( segid " " and resid 57 and name HN )) ASSI { 632} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) 3.200 1.300 1.300 peak 632 spectrum 1 weight 0.10000E+01 volume 0.13609E-02 ppm1 7.471 ppm2 3.616 CV 1 OR { 632} (( segid " " and resid 8 and name HN )) (( segid " " and resid 4 and name HA )) ASSI { 638} (( segid " " and resid 8 and name HN )) (( segid " " and resid 5 and name HA )) 3.500 1.500 1.500 peak 638 spectrum 1 weight 0.10000E+01 volume 0.75074E-03 ppm1 7.479 ppm2 4.021 CV 1 OR { 638} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HA )) ASSI { 666} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA )) 2.300 0.700 0.700 peak 666 spectrum 1 weight 0.10000E+01 volume 0.55815E-02 ppm1 9.662 ppm2 4.502 CV 1 OR { 666} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) ASSI { 693} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB )) 3.100 1.200 1.200 peak 693 spectrum 1 weight 0.10000E+01 volume 0.15718E-02 ppm1 7.847 ppm2 4.450 CV 1 OR { 693} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) ASSI { 728} (( segid " " and resid 17 and name HN )) ( segid " " and resid 84 and name HB% ) 3.800 1.800 1.800 peak 728 spectrum 1 weight 0.10000E+01 volume 0.90178E-03 ppm1 8.739 ppm2 0.962 CV 1 OR { 728} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG12)) OR { 728} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG13)) ASSI { 729} (( segid " " and resid 17 and name HN )) ( segid " " and resid 84 and name HB% ) 3.700 1.700 1.700 peak 729 spectrum 1 weight 0.10000E+01 volume 0.90178E-03 ppm1 8.739 ppm2 0.962 CV 1 OR { 729} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG13)) ASSI { 806} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA )) 2.700 0.900 0.900 peak 806 spectrum 1 weight 0.10000E+01 volume 0.28038E-02 ppm1 8.230 ppm2 4.013 CV 1 OR { 806} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA )) ASSI { 810} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB2 )) 2.400 0.700 0.700 peak 810 spectrum 1 weight 0.10000E+01 volume 0.41970E-02 ppm1 8.233 ppm2 2.786 CV 1 OR { 810} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB3 )) OR { 810} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB3 )) ASSI { 813} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HN )) 4.400 2.400 1.600 peak 813 spectrum 1 weight 0.10000E+01 volume 0.41468E-03 ppm1 9.242 ppm2 7.975 CV 1 OR { 813} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HN )) ASSI { 29} ( segid " " and resid 35 and name HD1%) ( segid " " and resid 35 and name HG2%) 2.100 0.600 0.600 peak 29 spectrum 1 weight 0.10000E+01 volume 0.90426E-02 ppm1 11.383 ppm2 15.983 CV 1 OR { 29} ( segid " " and resid 35 and name HD1%) ( segid " " and resid 53 and name HB% ) ASSI { 80} ( segid " " and resid 7 and name HD1%) ( segid " " and resid 36 and name HD1%) 2.400 0.700 0.700 peak 80 spectrum 1 weight 0.10000E+01 volume 0.59432E-02 ppm1 20.873 ppm2 12.792 CV 1 OR { 80} ( segid " " and resid 7 and name HD1%) ( segid " " and resid 93 and name HD1%) ASSI { 83} ( segid " " and resid 7 and name HD2%) ( segid " " and resid 36 and name HD1%) 3.000 1.100 1.100 peak 83 spectrum 1 weight 0.10000E+01 volume 0.21927E-02 ppm1 24.484 ppm2 12.815 CV 1 OR { 83} ( segid " " and resid 7 and name HD2%) ( segid " " and resid 93 and name HD1%) ASSI { 15} ( segid " " and resid 3 and name HD% ) ( segid " " and resid 63 and name HE% ) 3.400 1.400 1.400 peak 15 spectrum 1 weight 0.10000E+01 volume 0.15486E-05 ppm1 7.060 ppm2 7.284 CV 1 OR { 15} ( segid " " and resid 3 and name HD% ) (( segid " " and resid 3 and name HZ )) ASSI { 73} ( segid " " and resid 26 and name HE% ) (( segid " " and resid 26 and name HA )) 3.600 1.600 1.600 peak 73 spectrum 1 weight 0.10000E+01 volume 0.66094E-06 ppm1 6.703 ppm2 3.979 CV 1 OR { 73} ( segid " " and resid 26 and name HE% ) (( segid " " and resid 23 and name HA )) ASSI { 110} ( segid " " and resid 52 and name HD% ) (( segid " " and resid 52 and name HA )) 2.600 0.900 0.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.57745E-05 ppm1 7.385 ppm2 4.034 CV 1 OR { 110} ( segid " " and resid 52 and name HD% ) (( segid " " and resid 51 and name HA )) ASSI { 121} ( segid " " and resid 52 and name HE% ) (( segid " " and resid 49 and name HA )) 3.600 3.600 2.400 peak 121 spectrum 1 weight 0.10000E+01 volume 0.30199E-06 ppm1 6.933 ppm2 3.477 CV 1 OR { 121} ( segid " " and resid 52 and name HE% ) (( segid " " and resid 24 and name HA )) ASSI { 154} ( segid " " and resid 61 and name HD% ) (( segid " " and resid 60 and name HA )) 3.800 1.800 1.800 peak 154 spectrum 1 weight 0.10000E+01 volume 0.53993E-06 ppm1 7.024 ppm2 4.944 CV 1 OR { 154} ( segid " " and resid 61 and name HD% ) (( segid " " and resid 37 and name HA )) ASSI { 169} ( segid " " and resid 63 and name HD% ) (( segid " " and resid 66 and name HA )) 3.400 1.500 1.500 peak 169 spectrum 1 weight 0.10000E+01 volume 0.75139E-06 ppm1 6.729 ppm2 4.505 CV 1 OR { 169} ( segid " " and resid 63 and name HD% ) (( segid " " and resid 67 and name HA )) ASSI { 186} ( segid " " and resid 63 and name HE% ) (( segid " " and resid 70 and name HB2 )) 3.200 1.300 1.300 peak 186 spectrum 1 weight 0.10000E+01 volume 0.96700E-06 ppm1 7.258 ppm2 2.244 CV 1 OR { 186} ( segid " " and resid 63 and name HE% ) (( segid " " and resid 69 and name HB3 )) OR { 186} ( segid " " and resid 63 and name HE% ) (( segid " " and resid 70 and name HB3 )) ASSI { 202} (( segid " " and resid 63 and name HZ )) (( segid " " and resid 70 and name HB2 )) 3.100 1.200 1.200 peak 202 spectrum 1 weight 0.10000E+01 volume 0.19462E-05 ppm1 7.314 ppm2 2.244 CV 1 OR { 202} (( segid " " and resid 63 and name HZ )) (( segid " " and resid 69 and name HB3 )) OR { 202} (( segid " " and resid 63 and name HZ )) (( segid " " and resid 69 and name HB2 )) ASSI { 203} (( segid " " and resid 63 and name HZ )) ( segid " " and resid 63 and name HD% ) 2.700 0.900 0.900 peak 203 spectrum 1 weight 0.10000E+01 volume 0.11046E-04 ppm1 7.315 ppm2 6.698 CV 1 OR { 203} (( segid " " and resid 63 and name HZ )) ( segid " " and resid 3 and name HE% )
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