BMRB

NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
524456 2l4z RC 17265 cing 1-original 1 XPLOR/CNS distance NOE ambi


 ASSI {   38}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HZ3 ))
      6.000     4.700     0.000 peak    38 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.061 ppm2      6.939 CV     1
 OR {   38}
   (( segid "    " and resid 22   and name HD3 ))
   (( segid "    " and resid 20   and name HZ3 ))
 OR {   38}
   (( segid "    " and resid 49   and name HE2 ))
   (( segid "    " and resid 43   and name HZ3 ))
 ASSI {  210}
   (( segid "    " and resid 77   and name HD% ))
   (( segid "    " and resid 82   and name HN  ))
      6.000     4.700     0.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.486 ppm2      7.789 CV     1
 OR {  210}
   (( segid "    " and resid 65   and name HD% ))
   (( segid "    " and resid 666  and name HN  ))
 ASSI {  989}
   (( segid "    " and resid 69   and name HA2 ))
   (( segid "    " and resid 39   and name HE% ))
      3.100     1.400     1.400 peak   989 spectrum    1 weight  0.10000E+01 volume  0.18360E-02 ppm1      3.611 ppm2      1.581 CV     1
 OR {  989}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 39   and name HE% ))
 OR {  989}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 74   and name HG2 ))
 OR {  989}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI {  998}
   (( segid "    " and resid 680  and name HE22))
   (( segid "    " and resid 680  and name HN  ))
      4.200     2.400     1.800 peak   998 spectrum    1 weight  0.10000E+01 volume  0.28616E-03 ppm1      6.827 ppm2      8.396 CV     1
 OR {  998}
   (( segid "    " and resid 666  and name HE% ))
   (( segid "    " and resid 663  and name HN  ))
 OR {  998}
   (( segid "    " and resid 680  and name HE22))
   (( segid "    " and resid 679  and name HN  ))
 OR {  998}
   (( segid "    " and resid 666  and name HE% ))
   (( segid "    " and resid 662  and name HN  ))
 ASSI {  999}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      2.700     1.100     1.100 peak   999 spectrum    1 weight  0.10000E+01 volume  0.39146E-02 ppm1      1.274 ppm2      8.375 CV     1
 OR {  999}
   (( segid "    " and resid 22   and name HG3 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1001}
   (( segid "    " and resid 648  and name HG2%))
   (( segid "    " and resid 649  and name HN  ))
      2.800     1.200     1.200 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.30218E-02 ppm1      0.859 ppm2      8.365 CV     1
 OR { 1001}
   (( segid "    " and resid 648  and name HG1%))
   (( segid "    " and resid 649  and name HN  ))
 OR { 1001}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1002}
   (( segid "    " and resid 649  and name HA  ))
   (( segid "    " and resid 650  and name HN  ))
      6.000     4.700     0.000 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.411 ppm2      8.302 CV     1
 OR { 1002}
   (( segid "    " and resid 681  and name HA  ))
   (( segid "    " and resid 681  and name HN  ))
 ASSI { 1003}
   (( segid "    " and resid 651  and name HB2 ))
   (( segid "    " and resid 651  and name HN  ))
      4.200     2.400     1.800 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.27242E-03 ppm1      2.087 ppm2      8.321 CV     1
 OR { 1003}
   (( segid "    " and resid 651  and name HB2 ))
   (( segid "    " and resid 652  and name HN  ))
 ASSI { 1004}
   (( segid "    " and resid 650  and name HD% ))
   (( segid "    " and resid 653  and name HN  ))
      4.400     2.600     1.600 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.20740E-03 ppm1      7.235 ppm2      7.968 CV     1
 OR { 1004}
   (( segid "    " and resid 655  and name HD1 ))
   (( segid "    " and resid 653  and name HN  ))
 OR { 1004}
   (( segid "    " and resid 54   and name HE21))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 1009}
   (( segid "    " and resid 650  and name HA  ))
   (( segid "    " and resid 650  and name HD% ))
      2.500     1.000     1.000 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.58605E-02 ppm1      4.574 ppm2      7.229 CV     1
 OR { 1009}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HD% ))
 ASSI { 1010}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 42   and name HD% ))
      3.400     1.600     1.600 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.10256E-02 ppm1      4.182 ppm2      7.229 CV     1
 OR { 1010}
   (( segid "    " and resid 651  and name HA  ))
   (( segid "    " and resid 650  and name HD% ))
 OR { 1010}
   (( segid "    " and resid 664  and name HA  ))
   (( segid "    " and resid 666  and name HD% ))
 OR { 1010}
   (( segid "    " and resid 66   and name HB  ))
   (( segid "    " and resid 666  and name HD% ))
 ASSI { 1016}
   (( segid "    " and resid 653  and name HG2%))
   (( segid "    " and resid 652  and name HD22))
      4.300     2.500     1.700 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.25182E-03 ppm1      0.624 ppm2      7.577 CV     1
 OR { 1016}
   (( segid "    " and resid 653  and name HG2%))
   (( segid "    " and resid 655  and name HE3 ))
 ASSI { 1022}
   (( segid "    " and resid 65   and name HD% ))
   (( segid "    " and resid 666  and name HD% ))
      3.400     1.600     1.600 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.10324E-02 ppm1      6.486 ppm2      7.255 CV     1
 OR { 1022}
   (( segid "    " and resid 77   and name HD% ))
   (( segid "    " and resid 666  and name HD% ))
 ASSI { 1026}
   (( segid "    " and resid 663  and name HB2 ))
   (( segid "    " and resid 666  and name HD% ))
      2.800     1.200     1.200 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.29074E-02 ppm1      1.615 ppm2      7.255 CV     1
 OR { 1026}
   (( segid "    " and resid 665  and name HB3 ))
   (( segid "    " and resid 666  and name HD% ))
 OR { 1026}
   (( segid "    " and resid 46   and name HG3 ))
   (( segid "    " and resid 44   and name HE1 ))
 ASSI { 1029}
   (( segid "    " and resid 25   and name HA1 ))
   (( segid "    " and resid 43   and name HH2 ))
      3.400     1.700     1.700 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.96836E-03 ppm1      4.311 ppm2      7.194 CV     1
 OR { 1029}
   (( segid "    " and resid 663  and name HA  ))
   (( segid "    " and resid 667  and name HN  ))
 OR { 1029}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HD1 ))
 OR { 1029}
   (( segid "    " and resid 668  and name HA  ))
   (( segid "    " and resid 667  and name HN  ))
 ASSI { 1032}
   (( segid "    " and resid 31   and name HB% ))
   (( segid "    " and resid 20   and name HH2 ))
      6.000     4.700     0.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.274 ppm2      7.192 CV     1
 OR { 1032}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 20   and name HH2 ))
 ASSI { 1035}
   (( segid "    " and resid 670  and name HG2%))
   (( segid "    " and resid 669  and name HN  ))
      3.600     1.800     1.800 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.68219E-03 ppm1      0.647 ppm2      8.509 CV     1
 OR { 1035}
   (( segid "    " and resid 663  and name HD1%))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 1038}
   (( segid "    " and resid 673  and name HD1%))
   (( segid "    " and resid 672  and name HN  ))
      3.300     1.600     1.600 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.11744E-02 ppm1      0.845 ppm2      8.965 CV     1
 OR { 1038}
   (( segid "    " and resid 673  and name HD1%))
   (( segid "    " and resid 671  and name HN  ))
 OR { 1038}
   (( segid "    " and resid 78   and name HD1%))
   (( segid "    " and resid 77   and name HN  ))
 OR { 1038}
   (( segid "    " and resid 36   and name HD2%))
   (( segid "    " and resid 672  and name HN  ))
 OR { 1038}
   (( segid "    " and resid 36   and name HD2%))
   (( segid "    " and resid 671  and name HN  ))
 ASSI { 1040}
   (( segid "    " and resid 65   and name HE% ))
   (( segid "    " and resid 663  and name HN  ))
      3.500     1.800     1.800 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.80353E-03 ppm1      6.431 ppm2      8.376 CV     1
 OR { 1040}
   (( segid "    " and resid 65   and name HE% ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 1041}
   (( segid "    " and resid 65   and name HD% ))
   (( segid "    " and resid 64   and name HN  ))
      3.500     1.700     1.700 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.91571E-03 ppm1      6.488 ppm2      8.376 CV     1
 OR { 1041}
   (( segid "    " and resid 65   and name HD% ))
   (( segid "    " and resid 663  and name HN  ))
 ASSI { 1051}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.200     1.500     1.500 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.13895E-02 ppm1      8.606 ppm2      9.138 CV     1
 OR { 1051}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI { 1052}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.900     1.300     1.300 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.25868E-02 ppm1      3.351 ppm2      9.138 CV     1
 OR { 1052}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI { 1053}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      3.600     1.900     1.900 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.67532E-03 ppm1      2.264 ppm2      9.138 CV     1
 OR { 1053}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 1054}
   (( segid "    " and resid 35   and name HD2%))
   (( segid "    " and resid 30   and name HN  ))
      5.000     3.300     1.000 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.10324E-03 ppm1      0.762 ppm2      8.606 CV     1
 OR { 1054}
   (( segid "    " and resid 35   and name HD2%))
   (( segid "    " and resid 23   and name HN  ))
 OR { 1054}
   (( segid "    " and resid 18   and name HD2%))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1055}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 49   and name HN  ))
      3.400     1.600     1.600 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.10119E-02 ppm1      0.436 ppm2      7.454 CV     1
 OR { 1055}
   (( segid "    " and resid 57   and name HD2%))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 1058}
   (( segid "    " and resid 71   and name HG2%))
   (( segid "    " and resid 50   and name HN  ))
      4.800     3.100     1.200 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.12522E-03 ppm1      0.590 ppm2      8.667 CV     1
 OR { 1058}
   (( segid "    " and resid 71   and name HG2%))
   (( segid "    " and resid 668  and name HN  ))
 ASSI { 1060}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      3.700     1.900     1.900 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.61123E-03 ppm1      1.913 ppm2     10.074 CV     1
 OR { 1060}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1061}
   (( segid "    " and resid 71   and name HB  ))
   (( segid "    " and resid 51   and name HN  ))
      3.400     1.600     1.600 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.10600E-02 ppm1      1.694 ppm2     10.074 CV     1
 OR { 1061}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1072}
   (( segid "    " and resid 675  and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      4.300     2.500     1.700 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.24953E-03 ppm1      8.682 ppm2      9.096 CV     1
 OR { 1072}
   (( segid "    " and resid 674  and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1074}
   (( segid "    " and resid 672  and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.900     2.100     2.100 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.42580E-03 ppm1      4.548 ppm2      9.096 CV     1
 OR { 1074}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
 OR { 1074}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1075}
   (( segid "    " and resid 675  and name HG2%))
   (( segid "    " and resid 35   and name HN  ))
      3.200     1.500     1.500 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.14079E-02 ppm1      1.226 ppm2      9.095 CV     1
 OR { 1075}
   (( segid "    " and resid 673  and name HG13))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1076}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 69   and name HN  ))
      4.100     2.300     1.900 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.34110E-03 ppm1      0.667 ppm2      8.785 CV     1
 OR { 1076}
   (( segid "    " and resid 670  and name HG2%))
   (( segid "    " and resid 36   and name HN  ))
 OR { 1076}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 69   and name HN  ))
 OR { 1076}
   (( segid "    " and resid 57   and name HD1%))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 1082}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HE% ))
      3.500     1.700     1.700 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.90658E-03 ppm1      4.567 ppm2      6.705 CV     1
 OR { 1082}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 37   and name HD% ))
 OR { 1082}
   (( segid "    " and resid 672  and name HA  ))
   (( segid "    " and resid 37   and name HD% ))
 ASSI { 1084}
   (( segid "    " and resid 671  and name HG2%))
   (( segid "    " and resid 37   and name HD% ))
      2.900     1.300     1.300 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.25182E-02 ppm1      1.262 ppm2      6.705 CV     1
 OR { 1084}
   (( segid "    " and resid 673  and name HG13))
   (( segid "    " and resid 37   and name HD% ))
 ASSI { 1086}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 42   and name HE% ))
      2.700     1.100     1.100 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.42351E-02 ppm1      0.944 ppm2      6.705 CV     1
 OR { 1086}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 42   and name HE% ))
 OR { 1086}
   (( segid "    " and resid 35   and name HD1%))
   (( segid "    " and resid 42   and name HE% ))
 ASSI { 1087}
   (( segid "    " and resid 35   and name HD1%))
   (( segid "    " and resid 37   and name HE% ))
      3.700     1.900     1.900 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.60436E-03 ppm1      0.943 ppm2      6.398 CV     1
 OR { 1087}
   (( segid "    " and resid 672  and name HG2%))
   (( segid "    " and resid 37   and name HE% ))
 OR { 1087}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 37   and name HE% ))
 ASSI { 1089}
   (( segid "    " and resid 30   and name HD1%))
   (( segid "    " and resid 42   and name HE% ))
      4.300     2.600     1.700 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.23350E-03 ppm1      0.424 ppm2      6.704 CV     1
 OR { 1089}
   (( segid "    " and resid 30   and name HD1%))
   (( segid "    " and resid 37   and name HD% ))
 OR { 1089}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 37   and name HD% ))
 ASSI { 1098}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      3.700     1.900     1.900 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.57460E-03 ppm1      2.394 ppm2      9.561 CV     1
 OR { 1098}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 43   and name HE1 ))
 ASSI { 1099}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 41   and name HN  ))
      4.100     2.300     1.900 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.31134E-03 ppm1      2.491 ppm2      9.561 CV     1
 OR { 1099}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 41   and name HN  ))
 OR { 1099}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 43   and name HE1 ))
 OR { 1099}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 43   and name HE1 ))
 ASSI { 1100}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 41   and name HN  ))
      3.800     2.000     2.000 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.55858E-03 ppm1      2.123 ppm2      9.562 CV     1
 OR { 1100}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 43   and name HE1 ))
 ASSI { 1102}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 42   and name HD% ))
      4.000     2.200     2.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.36857E-03 ppm1      2.872 ppm2      7.232 CV     1
 OR { 1102}
   (( segid "    " and resid 662  and name HB2 ))
   (( segid "    " and resid 666  and name HD% ))
 OR { 1102}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 74   and name HE  ))
 OR { 1102}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 74   and name HE  ))
 OR { 1102}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 666  and name HD% ))
 ASSI { 1103}
   (( segid "    " and resid 35   and name HD1%))
   (( segid "    " and resid 42   and name HD% ))
      2.500     1.000     1.000 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.69136E-02 ppm1      0.945 ppm2      7.232 CV     1
 OR { 1103}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 42   and name HD% ))
 OR { 1103}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 42   and name HD% ))
 ASSI { 1105}
   (( segid "    " and resid 653  and name HG2%))
   (( segid "    " and resid 655  and name HD1 ))
      6.000     4.700     0.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.634 ppm2      7.232 CV     1
 OR { 1105}
   (( segid "    " and resid 663  and name HD1%))
   (( segid "    " and resid 666  and name HD% ))
 ASSI { 1106}
   (( segid "    " and resid 654  and name HA  ))
   (( segid "    " and resid 655  and name HD1 ))
      4.100     2.300     1.900 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.32507E-03 ppm1      4.249 ppm2      7.232 CV     1
 OR { 1106}
   (( segid "    " and resid 27   and name HA1 ))
   (( segid "    " and resid 22   and name HE  ))
 OR { 1106}
   (( segid "    " and resid 654  and name HA  ))
   (( segid "    " and resid 650  and name HD% ))
 ASSI { 1109}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 54   and name HE22))
      6.000     4.700     0.000 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.128 ppm2      6.705 CV     1
 OR { 1109}
   (( segid "    " and resid 46   and name HD3 ))
   (( segid "    " and resid 54   and name HE22))
 OR { 1109}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 42   and name HE% ))
 ASSI { 1117}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      6.000     4.700     0.000 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.431 ppm2      9.263 CV     1
 OR { 1117}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
 ASSI { 1123}
   (( segid "    " and resid 36   and name HD1%))
   (( segid "    " and resid 45   and name HN  ))
      3.200     1.500     1.500 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.13438E-02 ppm1      0.892 ppm2     10.031 CV     1
 OR { 1123}
   (( segid "    " and resid 30   and name HG2%))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 1125}
   (( segid "    " and resid 36   and name HD1%))
   (( segid "    " and resid 48   and name HN  ))
      3.400     1.600     1.600 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.10119E-02 ppm1      0.887 ppm2      7.030 CV     1
 OR { 1125}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 81   and name HZ  ))
 OR { 1125}
   (( segid "    " and resid 36   and name HD2%))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 1126}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 81   and name HZ  ))
      6.000     4.700     0.000 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.043 ppm2      7.033 CV     1
 OR { 1126}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 1139}
   (( segid "    " and resid 48   and name HD2%))
   (( segid "    " and resid 48   and name HN  ))
      2.900     1.200     1.200 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.27013E-02 ppm1     -0.815 ppm2      7.059 CV     1
 OR { 1139}
   (( segid "    " and resid 48   and name HD2%))
   (( segid "    " and resid 43   and name HZ2 ))
 ASSI { 1141}
   (( segid "    " and resid 80   and name HD2%))
   (( segid "    " and resid 81   and name HE% ))
      6.000     4.700     0.000 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.581 ppm2      7.060 CV     1
 OR { 1141}
   (( segid "    " and resid 48   and name HG  ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 1146}
   (( segid "    " and resid 42   and name HD% ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.700     0.000 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.234 ppm2      8.373 CV     1
 OR { 1146}
   (( segid "    " and resid 650  and name HD% ))
   (( segid "    " and resid 649  and name HN  ))
 OR { 1146}
   (( segid "    " and resid 666  and name HD% ))
   (( segid "    " and resid 663  and name HN  ))
 ASSI { 1148}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      4.500     2.700     1.500 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.19252E-03 ppm1      4.160 ppm2      9.245 CV     1
 OR { 1148}
   (( segid "    " and resid 69   and name HA1 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 1152}
   (( segid "    " and resid 77   and name HD% ))
   (( segid "    " and resid 72   and name HN  ))
      3.700     1.900     1.900 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.65701E-03 ppm1      6.478 ppm2      9.479 CV     1
 OR { 1152}
   (( segid "    " and resid 65   and name HD% ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 1162}
   (( segid "    " and resid 18   and name HD1%))
   (( segid "    " and resid 910  and name HN  ))
      4.300     2.500     1.700 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.25411E-03 ppm1      0.803 ppm2      8.517 CV     1
 OR { 1162}
   (( segid "    " and resid 683  and name HD1%))
   (( segid "    " and resid 678  and name HN  ))
 OR { 1162}
   (( segid "    " and resid 683  and name HD2%))
   (( segid "    " and resid 678  and name HN  ))
 OR { 1162}
   (( segid "    " and resid 673  and name HG2%))
   (( segid "    " and resid 33   and name HN  ))
 OR { 1162}
   (( segid "    " and resid 673  and name HG2%))
   (( segid "    " and resid 678  and name HN  ))
 OR { 1162}
   (( segid "    " and resid 673  and name HD1%))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1166}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.700     0.000 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.691 ppm2      8.960 CV     1
 OR { 1166}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1167}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.700     0.000 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.353 ppm2      8.961 CV     1
 OR { 1167}
   (( segid "    " and resid 673  and name HA  ))
   (( segid "    " and resid 672  and name HN  ))
 OR { 1167}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI { 1168}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.700     0.000 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.570 ppm2      8.988 CV     1
 OR { 1168}
   (( segid "    " and resid 57   and name HG  ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 1169}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 77   and name HE% ))
      3.400     1.600     1.600 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.10072E-02 ppm1      4.331 ppm2      6.198 CV     1
 OR { 1169}
   (( segid "    " and resid 663  and name HA  ))
   (( segid "    " and resid 77   and name HE% ))
 ASSI { 1170}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 77   and name HD% ))
      6.000     4.700     0.000 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.341 ppm2      6.466 CV     1
 OR { 1170}
   (( segid "    " and resid 663  and name HA  ))
   (( segid "    " and resid 77   and name HD% ))
 OR { 1170}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HD% ))
 ASSI { 1180}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 77   and name HD% ))
      6.000     4.700     0.000 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.902 ppm2      6.466 CV     1
 OR { 1180}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 77   and name HD% ))
 ASSI { 1184}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 77   and name HE% ))
      3.500     1.800     1.800 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.81497E-03 ppm1      1.754 ppm2      6.199 CV     1
 OR { 1184}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 77   and name HE% ))
 ASSI { 1187}
   (( segid "    " and resid 72   and name HD2%))
   (( segid "    " and resid 77   and name HE% ))
      3.100     1.400     1.400 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.18864E-02 ppm1      1.113 ppm2      6.199 CV     1
 OR { 1187}
   (( segid "    " and resid 66   and name HG2%))
   (( segid "    " and resid 77   and name HE% ))
 ASSI { 1199}
   (( segid "    " and resid 665  and name HE22))
   (( segid "    " and resid 665  and name HN  ))
      3.900     2.100     2.100 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.44640E-03 ppm1      6.834 ppm2      8.280 CV     1
 OR { 1199}
   (( segid "    " and resid 666  and name HE% ))
   (( segid "    " and resid 665  and name HN  ))
 OR { 1199}
   (( segid "    " and resid 81   and name HD% ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1200}
   (( segid "    " and resid 663  and name HD1%))
   (( segid "    " and resid 78   and name HN  ))
      4.300     2.500     1.700 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.24495E-03 ppm1      0.636 ppm2      8.279 CV     1
 OR { 1200}
   (( segid "    " and resid 663  and name HD1%))
   (( segid "    " and resid 665  and name HN  ))
 OR { 1200}
   (( segid "    " and resid 80   and name HD1%))
   (( segid "    " and resid 78   and name HN  ))
 OR { 1200}
   (( segid "    " and resid 670  and name HG2%))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 1201}
   (( segid "    " and resid 666  and name HA  ))
   (( segid "    " and resid 666  and name HN  ))
      6.000     4.700     0.000 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.751 ppm2      7.816 CV     1
 OR { 1201}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 1202}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 79   and name HN  ))
      3.800     2.000     2.000 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.51508E-03 ppm1      0.109 ppm2      7.816 CV     1
 OR { 1202}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 1203}
   (( segid "    " and resid 48   and name HG  ))
   (( segid "    " and resid 47   and name HN  ))
      5.900     4.500     0.100 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.38002E-04 ppm1      0.560 ppm2      7.816 CV     1
 OR { 1203}
   (( segid "    " and resid 80   and name HD2%))
   (( segid "    " and resid 79   and name HN  ))
 OR { 1203}
   (( segid "    " and resid 80   and name HD2%))
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 1206}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      6.000     4.700     0.000 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.985 ppm2      8.107 CV     1
 OR { 1206}
   (( segid "    " and resid 25   and name HA2 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 1210}
   (( segid "    " and resid 81   and name HD% ))
   (( segid "    " and resid 82   and name HN  ))
      3.400     1.700     1.700 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.93633E-03 ppm1      6.849 ppm2      7.809 CV     1
 OR { 1210}
   (( segid "    " and resid 666  and name HE% ))
   (( segid "    " and resid 666  and name HN  ))
 ASSI { 1212}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 59   and name HN  ))
      3.500     1.800     1.800 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.78979E-03 ppm1      1.532 ppm2      7.717 CV     1
 OR { 1212}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 1214}
   (( segid "    " and resid 663  and name HA  ))
   (( segid "    " and resid 65   and name HE% ))
      6.000     4.700     0.000 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.340 ppm2      6.427 CV     1
 OR { 1214}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 65   and name HE% ))
 ASSI { 1215}
   (( segid "    " and resid 663  and name HA  ))
   (( segid "    " and resid 65   and name HD% ))
      6.000     4.700     0.000 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.341 ppm2      6.488 CV     1
 OR { 1215}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 77   and name HD% ))
 OR { 1215}
   (( segid "    " and resid 663  and name HA  ))
   (( segid "    " and resid 77   and name HD% ))
 OR { 1215}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HD% ))
 ASSI { 1246}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 43   and name HD1 ))
      6.000     4.700     0.000 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.697 ppm2      6.958 CV     1
 OR { 1246}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 43   and name HD1 ))
 ASSI { 1249}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 43   and name HD1 ))
      3.900     2.100     2.100 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.43953E-03 ppm1      1.857 ppm2      6.960 CV     1
 OR { 1249}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 43   and name HD1 ))
 ASSI { 1250}
   (( segid "    " and resid 39   and name HE% ))
   (( segid "    " and resid 43   and name HZ3 ))
      6.000     4.700     0.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.593 ppm2      6.959 CV     1
 OR { 1250}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 43   and name HD1 ))
 OR { 1250}
   (( segid "    " and resid 39   and name HE% ))
   (( segid "    " and resid 43   and name HD1 ))
 ASSI { 1251}
   (( segid "    " and resid 38   and name HB% ))
   (( segid "    " and resid 43   and name HD1 ))
      2.900     1.300     1.300 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.26097E-02 ppm1      1.157 ppm2      6.958 CV     1
 OR { 1251}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 20   and name HZ3 ))
 ASSI { 1252}
   (( segid "    " and resid 30   and name HG2%))
   (( segid "    " and resid 20   and name HZ3 ))
      3.700     1.900     1.900 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.58833E-03 ppm1      0.894 ppm2      6.958 CV     1
 OR { 1252}
   (( segid "    " and resid 36   and name HD1%))
   (( segid "    " and resid 43   and name HD1 ))
 ASSI { 1253}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 43   and name HD1 ))
      3.800     2.000     2.000 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.55171E-03 ppm1      0.429 ppm2      6.959 CV     1
 OR { 1253}
   (( segid "    " and resid 30   and name HD1%))
   (( segid "    " and resid 43   and name HD1 ))
 OR { 1253}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 43   and name HZ3 ))
 ASSI { 1260}
   (( segid "    " and resid 25   and name HA1 ))
   (( segid "    " and resid 43   and name HZ3 ))
      2.600     1.000     1.000 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.51050E-02 ppm1      4.326 ppm2      6.939 CV     1
 OR { 1260}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 20   and name HZ3 ))
 ASSI { 1261}
   (( segid "    " and resid 35   and name HD2%))
   (( segid "    " and resid 42   and name HE% ))
      6.000     4.700     0.000 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.770 ppm2      6.706 CV     1
 OR { 1261}
   (( segid "    " and resid 35   and name HD2%))
   (( segid "    " and resid 37   and name HD% ))
 OR { 1261}
   (( segid "    " and resid 673  and name HG2%))
   (( segid "    " and resid 37   and name HD% ))
 ASSI { 1266}
   (( segid "    " and resid 46   and name HD3 ))
   (( segid "    " and resid 44   and name HE1 ))
      3.400     1.600     1.600 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.10348E-02 ppm1      3.116 ppm2      7.285 CV     1
 OR { 1266}
   (( segid "    " and resid 674  and name HB2 ))
   (( segid "    " and resid 34   and name HD% ))
 OR { 1266}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 44   and name HE1 ))
 ASSI { 1268}
   (( segid "    " and resid 674  and name HB3 ))
   (( segid "    " and resid 34   and name HE% ))
      2.500     1.000     1.000 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.57460E-02 ppm1      2.676 ppm2      7.340 CV     1
 OR { 1268}
   (( segid "    " and resid 33   and name HD3 ))
   (( segid "    " and resid 34   and name HE% ))
 ASSI { 1283}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 20   and name HE3 ))
      3.400     1.600     1.600 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.10508E-02 ppm1      4.305 ppm2      7.382 CV     1
 OR { 1283}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HE3 ))
 ASSI { 1284}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HE3 ))
      3.800     2.000     2.000 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.48532E-03 ppm1      4.185 ppm2      7.382 CV     1
 OR { 1284}
   (( segid "    " and resid 664  and name HA  ))
   (( segid "    " and resid 665  and name HE21))
 ASSI { 1288}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 20   and name HE3 ))
      3.000     1.300     1.300 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.21107E-02 ppm1      1.259 ppm2      7.382 CV     1
 OR { 1288}
   (( segid "    " and resid 31   and name HB% ))
   (( segid "    " and resid 20   and name HE3 ))
 ASSI { 1290}
   (( segid "    " and resid 18   and name HD2%))
   (( segid "    " and resid 20   and name HE3 ))
      4.400     2.600     1.600 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.22893E-03 ppm1      0.756 ppm2      7.381 CV     1
 OR { 1290}
   (( segid "    " and resid 35   and name HD2%))
   (( segid "    " and resid 20   and name HE3 ))
 ASSI { 1297}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 20   and name HE1 ))
      6.000     4.700     0.000 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.274 ppm2     10.173 CV     1
 OR { 1297}
   (( segid "    " and resid 31   and name HB% ))
   (( segid "    " and resid 20   and name HE1 ))
 OR { 1297}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 20   and name HE1 ))
 ASSI { 1300}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 666  and name HE% ))
      3.000     1.300     1.300 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.22092E-02 ppm1      4.330 ppm2      6.819 CV     1
 OR { 1300}
   (( segid "    " and resid 663  and name HA  ))
   (( segid "    " and resid 666  and name HE% ))
 ASSI { 1301}
   (( segid "    " and resid 665  and name HB3 ))
   (( segid "    " and resid 665  and name HE22))
      3.100     1.400     1.400 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.19070E-02 ppm1      1.622 ppm2      6.819 CV     1
 OR { 1301}
   (( segid "    " and resid 665  and name HB3 ))
   (( segid "    " and resid 666  and name HE% ))
 ASSI { 1306}
   (( segid "    " and resid 74   and name HG3 ))
   (( segid "    " and resid 74   and name HE  ))
      2.900     1.200     1.200 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.28845E-02 ppm1      1.451 ppm2      7.255 CV     1
 OR { 1306}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HE  ))
 ASSI { 1307}
   (( segid "    " and resid 663  and name HA  ))
   (( segid "    " and resid 666  and name HD% ))
      2.700     1.100     1.100 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.38689E-02 ppm1      4.334 ppm2      7.257 CV     1
 OR { 1307}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 666  and name HD% ))
 ASSI { 1309}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 20   and name HZ2 ))
      3.400     1.600     1.600 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.10049E-02 ppm1      1.516 ppm2      7.457 CV     1
 OR { 1309}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 20   and name HZ2 ))
 OR { 1309}
   (( segid "    " and resid 57   and name HG  ))
   (( segid "    " and resid 49   and name HN  ))
 OR { 1309}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 20   and name HZ2 ))
 ASSI { 1322}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 81   and name HE% ))
      4.200     2.400     1.800 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.29532E-03 ppm1      1.432 ppm2      7.083 CV     1
 OR { 1322}
   (( segid "    " and resid 80   and name HG  ))
   (( segid "    " and resid 81   and name HE% ))
 ASSI { 1337}
   (( segid "    " and resid 662  and name HA  ))
   (( segid "    " and resid 661  and name HB% ))
      3.900     2.100     2.100 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.41206E-03 ppm1      4.657 ppm2      1.415 CV     1
 OR { 1337}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 80   and name HG  ))
 ASSI { 1338}
   (( segid "    " and resid 658  and name HB2 ))
   (( segid "    " and resid 661  and name HB% ))
      3.000     1.300     1.300 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.21130E-02 ppm1      2.770 ppm2      1.415 CV     1
 OR { 1338}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI { 1340}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 30   and name HD1%))
      3.900     2.100     2.100 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.42580E-03 ppm1      4.178 ppm2      0.420 CV     1
 OR { 1340}
   (( segid "    " and resid 62   and name HB  ))
   (( segid "    " and resid 57   and name HD2%))
 ASSI { 1349}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 30   and name HG12))
      3.200     1.500     1.500 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.14560E-02 ppm1      5.709 ppm2      1.228 CV     1
 OR { 1349}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
 ASSI { 1351}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 78   and name HG13))
      4.000     2.200     2.000 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.38917E-03 ppm1      3.734 ppm2      1.225 CV     1
 OR { 1351}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 675  and name HG2%))
 OR { 1351}
   (( segid "    " and resid 58   and name HA1 ))
   (( segid "    " and resid 36   and name HB3 ))
 ASSI { 1353}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 48   and name HD1%))
      4.400     2.600     1.600 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.21519E-03 ppm1      4.530 ppm2      0.116 CV     1
 OR { 1353}
   (( segid "    " and resid 672  and name HA  ))
   (( segid "    " and resid 48   and name HD1%))
 OR { 1353}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 48   and name HD1%))
 ASSI { 1362}
   (( segid "    " and resid 29   and name HE2 ))
   (( segid "    " and resid 18   and name HD2%))
      3.400     1.600     1.600 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.99810E-03 ppm1      2.464 ppm2      0.751 CV     1
 OR { 1362}
   (( segid "    " and resid 29   and name HE3 ))
   (( segid "    " and resid 18   and name HD2%))
 OR { 1362}
   (( segid "    " and resid 21   and name HE3 ))
   (( segid "    " and resid 35   and name HD2%))
 OR { 1362}
   (( segid "    " and resid 21   and name HE2 ))
   (( segid "    " and resid 35   and name HD2%))
 ASSI { 1364}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 66   and name HG2%))
      2.700     1.100     1.100 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.38460E-02 ppm1      4.304 ppm2      1.138 CV     1
 OR { 1364}
   (( segid "    " and resid 668  and name HA  ))
   (( segid "    " and resid 66   and name HG2%))
 OR { 1364}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 72   and name HD1%))
 ASSI { 1376}
   (( segid "    " and resid 654  and name HA  ))
   (( segid "    " and resid 653  and name HG2%))
      3.600     1.800     1.800 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.75774E-03 ppm1      4.258 ppm2      0.637 CV     1
 OR { 1376}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 71   and name HD1%))
 OR { 1376}
   (( segid "    " and resid 671  and name HB  ))
   (( segid "    " and resid 670  and name HG2%))
 OR { 1376}
   (( segid "    " and resid 661  and name HA  ))
   (( segid "    " and resid 663  and name HD1%))
 ASSI { 1377}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 57   and name HD1%))
      6.000     4.700     0.000 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.258 ppm2      0.674 CV     1
 OR { 1377}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 57   and name HD1%))
 ASSI { 1387}
   (( segid "    " and resid 35   and name HG  ))
   (( segid "    " and resid 30   and name HD1%))
      6.000     4.700     0.000 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.687 ppm2      0.420 CV     1
 OR { 1387}
   (( segid "    " and resid 71   and name HB  ))
   (( segid "    " and resid 57   and name HD2%))
 OR { 1387}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 57   and name HD2%))
 OR { 1387}
   (( segid "    " and resid 49   and name HD2 ))
   (( segid "    " and resid 57   and name HD2%))
 OR { 1387}
   (( segid "    " and resid 49   and name HD3 ))
   (( segid "    " and resid 48   and name HB3 ))
 ASSI { 1388}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 30   and name HD1%))
      6.000     4.700     0.000 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.868 ppm2      0.420 CV     1
 OR { 1388}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 48   and name HB3 ))
 OR { 1388}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 57   and name HD2%))
 OR { 1388}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 48   and name HB3 ))
 ASSI { 1395}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 48   and name HB3 ))
      2.800     1.200     1.200 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.32278E-02 ppm1      3.462 ppm2      0.420 CV     1
 OR { 1395}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 57   and name HD2%))
 ASSI { 1397}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HD2%))
      4.800     3.100     1.200 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.12935E-03 ppm1      4.091 ppm2      0.420 CV     1
 OR { 1397}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 57   and name HD2%))
 ASSI { 1399}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HD2%))
      3.000     1.300     1.300 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.22092E-02 ppm1      4.522 ppm2      0.420 CV     1
 OR { 1399}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 30   and name HD1%))
 ASSI { 1401}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 30   and name HD1%))
      2.800     1.200     1.200 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.33652E-02 ppm1      5.709 ppm2      0.420 CV     1
 OR { 1401}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 30   and name HD1%))
 ASSI { 1402}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 57   and name HD2%))
      3.100     1.400     1.400 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.18864E-02 ppm1      5.040 ppm2      0.420 CV     1
 OR { 1402}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 48   and name HB3 ))
 ASSI { 1404}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 30   and name HD1%))
      3.300     1.600     1.600 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.11331E-02 ppm1      4.876 ppm2      0.420 CV     1
 OR { 1404}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 48   and name HB3 ))
 ASSI { 1406}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HG  ))
      3.500     1.700     1.700 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.85157E-03 ppm1      4.077 ppm2      1.544 CV     1
 OR { 1406}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 60   and name HG12))
 OR { 1406}
   (( segid "    " and resid 675  and name HA  ))
   (( segid "    " and resid 676  and name HD3 ))
 ASSI { 1408}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HB2 ))
      6.000     4.700     0.000 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.504 ppm2      2.227 CV     1
 OR { 1408}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HG3 ))
 ASSI { 1409}
   (( segid "    " and resid 666  and name HB3 ))
   (( segid "    " and resid 67   and name HG3 ))
      3.200     1.500     1.500 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.15429E-02 ppm1      2.506 ppm2      0.644 CV     1
 OR { 1409}
   (( segid "    " and resid 666  and name HB3 ))
   (( segid "    " and resid 663  and name HD1%))
 OR { 1409}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 71   and name HD1%))
 OR { 1409}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 71   and name HD1%))
 ASSI { 1415}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HD2%))
      3.700     2.000     2.000 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.56316E-03 ppm1      5.824 ppm2      0.758 CV     1
 OR { 1415}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 673  and name HG2%))
 ASSI { 1424}
   (( segid "    " and resid 672  and name HA  ))
   (( segid "    " and resid 36   and name HD2%))
      3.000     1.300     1.300 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.22893E-02 ppm1      4.551 ppm2      0.853 CV     1
 OR { 1424}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 60   and name HD1%))
 ASSI { 1428}
   (( segid "    " and resid 38   and name HB% ))
   (( segid "    " and resid 670  and name HG1%))
      6.000     4.700     0.000 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.156 ppm2      0.720 CV     1
 OR { 1428}
   (( segid "    " and resid 667  and name HG3 ))
   (( segid "    " and resid 663  and name HD2%))
 OR { 1428}
   (( segid "    " and resid 667  and name HG2 ))
   (( segid "    " and resid 663  and name HD2%))
 OR { 1428}
   (( segid "    " and resid 66   and name HG2%))
   (( segid "    " and resid 663  and name HD2%))
 OR { 1428}
   (( segid "    " and resid 66   and name HG2%))
   (( segid "    " and resid 670  and name HG1%))
 ASSI { 1432}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 35   and name HD1%))
      6.000     4.700     0.000 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.764 ppm2      0.943 CV     1
 OR { 1432}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 21   and name HD2 ))
 OR { 1432}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI { 1433}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 35   and name HD1%))
      6.000     4.700     0.000 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.691 ppm2      0.944 CV     1
 OR { 1433}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 672  and name HG2%))
 OR { 1433}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 21   and name HD2 ))
 ASSI { 1435}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 35   and name HD1%))
      3.000     1.300     1.300 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.20511E-02 ppm1      5.708 ppm2      0.940 CV     1
 OR { 1435}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 35   and name HD1%))
 OR { 1435}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 35   and name HD1%))
 ASSI { 1436}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 35   and name HD2%))
      6.000     4.700     0.000 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.708 ppm2      0.758 CV     1
 OR { 1436}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 35   and name HD2%))
 ASSI { 1437}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 24   and name HB% ))
      3.600     1.800     1.800 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.75087E-03 ppm1      5.705 ppm2      0.219 CV     1
 OR { 1437}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 24   and name HB% ))
 ASSI { 1438}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 48   and name HD1%))
      4.500     2.700     1.500 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.19207E-03 ppm1      5.704 ppm2      0.117 CV     1
 OR { 1438}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 48   and name HD1%))
 ASSI { 1440}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 36   and name HB2 ))
      6.000     4.700     0.000 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.458 ppm2      1.848 CV     1
 OR { 1440}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 35   and name HB3 ))
 ASSI { 1446}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 72   and name HB2 ))
      2.800     1.200     1.200 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.34796E-02 ppm1      3.566 ppm2      1.892 CV     1
 OR { 1446}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 74   and name HB3 ))
 OR { 1446}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 72   and name HB2 ))
 OR { 1446}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 35   and name HB3 ))
 OR { 1446}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 1448}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HD1%))
      6.000     4.700     0.000 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.002 ppm2      0.865 CV     1
 OR { 1448}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HG2%))
 OR { 1448}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 36   and name HD2%))
 OR { 1448}
   (( segid "    " and resid 660  and name HA1 ))
   (( segid "    " and resid 657  and name HD1%))
 OR { 1448}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
 OR { 1448}
   (( segid "    " and resid 653  and name HA  ))
   (( segid "    " and resid 657  and name HD1%))
 ASSI { 1449}
   (( segid "    " and resid 71   and name HG13))
   (( segid "    " and resid 48   and name HD2%))
      6.000     4.700     0.000 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.945 ppm2     -0.816 CV     1
 OR { 1449}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 48   and name HD2%))
 ASSI { 1450}
   (( segid "    " and resid 71   and name HD1%))
   (( segid "    " and resid 48   and name HD2%))
      6.000     4.700     0.000 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.639 ppm2     -0.815 CV     1
 OR { 1450}
   (( segid "    " and resid 670  and name HG2%))
   (( segid "    " and resid 48   and name HD2%))
 ASSI { 1454}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 48   and name HD1%))
      6.000     4.700     0.000 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.957 ppm2      0.115 CV     1
 OR { 1454}
   (( segid "    " and resid 71   and name HG13))
   (( segid "    " and resid 48   and name HD1%))
 ASSI { 1456}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 48   and name HD1%))
      6.000     4.700     0.000 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.608 ppm2      0.115 CV     1
 OR { 1456}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 80   and name HB3 ))
 OR { 1456}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 48   and name HD1%))
 ASSI { 1457}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 48   and name HD1%))
      3.200     1.500     1.500 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.14880E-02 ppm1      4.450 ppm2      0.115 CV     1
 OR { 1457}
   (( segid "    " and resid 670  and name HA  ))
   (( segid "    " and resid 48   and name HD1%))
 ASSI { 1460}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 36   and name HD1%))
      3.100     1.400     1.400 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.17032E-02 ppm1      5.043 ppm2      0.900 CV     1
 OR { 1460}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 30   and name HG2%))
 ASSI { 1462}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 49   and name HG3 ))
      3.600     1.800     1.800 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.71425E-03 ppm1      4.094 ppm2      1.020 CV     1
 OR { 1462}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 49   and name HG3 ))
 ASSI { 1464}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 57   and name HD1%))
      3.200     1.500     1.500 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.14674E-02 ppm1      2.829 ppm2      0.678 CV     1
 OR { 1464}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 663  and name HD2%))
 ASSI { 1469}
   (( segid "    " and resid 30   and name HG12))
   (( segid "    " and resid 30   and name HG2%))
      6.000     4.700     0.000 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.255 ppm2      0.912 CV     1
 OR { 1469}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HD1%))
 OR { 1469}
   (( segid "    " and resid 60   and name HG13))
   (( segid "    " and resid 60   and name HG2%))
 ASSI { 1470}
   (( segid "    " and resid 60   and name HG13))
   (( segid "    " and resid 60   and name HD1%))
      6.000     4.700     0.000 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.255 ppm2      0.855 CV     1
 OR { 1470}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI { 1472}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HG13))
      6.000     4.700     0.000 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.520 ppm2      1.256 CV     1
 OR { 1472}
   (( segid "    " and resid 673  and name HG12))
   (( segid "    " and resid 673  and name HG13))
 ASSI { 1476}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HG2 ))
      6.000     4.700     0.000 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.942 ppm2      1.582 CV     1
 OR { 1476}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 72   and name HG  ))
 OR { 1476}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 39   and name HE% ))
 OR { 1476}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI { 1477}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 668  and name HB3 ))
      3.100     1.400     1.400 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.17398E-02 ppm1      4.942 ppm2      1.414 CV     1
 OR { 1477}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 55   and name HB% ))
 OR { 1477}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
 ASSI { 1481}
   (( segid "    " and resid 66   and name HB  ))
   (( segid "    " and resid 71   and name HD1%))
      3.900     2.100     2.100 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.44182E-03 ppm1      4.166 ppm2      0.639 CV     1
 OR { 1481}
   (( segid "    " and resid 664  and name HA  ))
   (( segid "    " and resid 663  and name HD1%))
 OR { 1481}
   (( segid "    " and resid 69   and name HA1 ))
   (( segid "    " and resid 71   and name HD1%))
 OR { 1481}
   (( segid "    " and resid 651  and name HA  ))
   (( segid "    " and resid 653  and name HG2%))
 OR { 1481}
   (( segid "    " and resid 66   and name HB  ))
   (( segid "    " and resid 67   and name HG3 ))
 ASSI { 1486}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HD2%))
      3.200     1.500     1.500 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.14170E-02 ppm1      4.612 ppm2      1.104 CV     1
 OR { 1486}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 72   and name HD2%))
 OR { 1486}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 72   and name HD1%))
 OR { 1486}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 66   and name HG2%))
 OR { 1486}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HD1%))
 ASSI { 1490}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 72   and name HD1%))
      3.500     1.700     1.700 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.91115E-03 ppm1      4.258 ppm2      1.102 CV     1
 OR { 1490}
   (( segid "    " and resid 654  and name HA  ))
   (( segid "    " and resid 653  and name HG13))
 OR { 1490}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 72   and name HD2%))
 OR { 1490}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 72   and name HD2%))
 ASSI { 1492}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 57   and name HB3 ))
      6.000     4.700     0.000 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.893 ppm2      0.940 CV     1
 OR { 1492}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 672  and name HG2%))
 OR { 1492}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 60   and name HG2%))
 ASSI { 1505}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HD2%))
      2.300     0.800     0.800 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.11904E-01 ppm1      1.884 ppm2      0.763 CV     1
 OR { 1505}
   (( segid "    " and resid 673  and name HB  ))
   (( segid "    " and resid 673  and name HG2%))
 ASSI { 1515}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 71   and name HG2%))
      4.600     2.800     1.400 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.17146E-03 ppm1      4.935 ppm2      0.584 CV     1
 OR { 1515}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 71   and name HG2%))
 ASSI { 1519}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 71   and name HG2%))
      6.000     4.700     0.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.484 ppm2      0.584 CV     1
 OR { 1519}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 71   and name HG2%))
 OR { 1519}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 48   and name HG  ))
 OR { 1519}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 48   and name HG  ))
 OR { 1519}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 48   and name HG  ))
 ASSI { 1521}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 72   and name HB3 ))
      3.000     1.300     1.300 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.21634E-02 ppm1      2.517 ppm2      1.682 CV     1
 OR { 1521}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 49   and name HD2 ))
 OR { 1521}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 49   and name HD3 ))
 OR { 1521}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 35   and name HG  ))
 ASSI { 1522}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 49   and name HD3 ))
      3.700     1.900     1.900 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.57002E-03 ppm1      4.441 ppm2      1.683 CV     1
 OR { 1522}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 49   and name HD2 ))
 OR { 1522}
   (( segid "    " and resid 681  and name HA  ))
   (( segid "    " and resid 682  and name HD3 ))
 OR { 1522}
   (( segid "    " and resid 681  and name HA  ))
   (( segid "    " and resid 682  and name HD2 ))
 ASSI { 1526}
   (( segid "    " and resid 669  and name HA  ))
   (( segid "    " and resid 670  and name HB  ))
      6.000     4.700     0.000 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.588 ppm2      1.887 CV     1
 OR { 1526}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 OR { 1526}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1537}
   (( segid "    " and resid 903  and name HA  ))
   (( segid "    " and resid 903  and name HB2 ))
      6.000     4.700     0.000 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.573 ppm2      3.518 CV     1
 OR { 1537}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB3 ))
 ASSI { 1543}
   (( segid "    " and resid 666  and name HA  ))
   (( segid "    " and resid 665  and name HB3 ))
      6.000     4.700     0.000 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.765 ppm2      1.622 CV     1
 OR { 1543}
   (( segid "    " and resid 666  and name HA  ))
   (( segid "    " and resid 663  and name HB2 ))
 OR { 1543}
   (( segid "    " and resid 666  and name HA  ))
   (( segid "    " and resid 667  and name HB3 ))
 OR { 1543}
   (( segid "    " and resid 674  and name HA  ))
   (( segid "    " and resid 676  and name HB3 ))
 ASSI { 1546}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HA  ))
      6.000     4.700     0.000 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.619 ppm2      3.935 CV     1
 OR { 1546}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HB3 ))
 OR { 1546}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
 OR { 1546}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
 OR { 1546}
   (( segid "    " and resid 662  and name HA  ))
   (( segid "    " and resid 664  and name HB3 ))
 OR { 1546}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 51   and name HB3 ))
 ASSI { 1547}
   (( segid "    " and resid 670  and name HA  ))
   (( segid "    " and resid 669  and name HB3 ))
      6.000     4.700     0.000 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.456 ppm2      2.497 CV     1
 OR { 1547}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HG3 ))
 OR { 1547}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HG2 ))
 OR { 1547}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
 OR { 1547}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 669  and name HB3 ))
 ASSI { 1550}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 671  and name HG2%))
      3.400     1.700     1.700 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.95002E-03 ppm1      2.686 ppm2      1.272 CV     1
 OR { 1550}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 30   and name HG12))
 OR { 1550}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 21   and name HB3 ))
 ASSI { 1577}
   (( segid "    " and resid 71   and name HG13))
   (( segid "    " and resid 43   and name HZ3 ))
      3.500     1.700     1.700 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.91343E-03 ppm1      0.945 ppm2      6.950 CV     1
 OR { 1577}
   (( segid "    " and resid 35   and name HD1%))
   (( segid "    " and resid 43   and name HD1 ))
 OR { 1577}
   (( segid "    " and resid 71   and name HG13))
   (( segid "    " and resid 43   and name HD1 ))
 OR { 1577}
   (( segid "    " and resid 35   and name HD1%))
   (( segid "    " and resid 20   and name HZ3 ))
 ASSI { 1578}
   (( segid "    " and resid 27   and name HA2 ))
   (( segid "    " and resid 22   and name HE  ))
      3.200     1.400     1.400 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.15567E-02 ppm1      3.873 ppm2      7.269 CV     1
 OR { 1578}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 44   and name HE1 ))
 OR { 1578}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 22   and name HE  ))
 OR { 1578}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 22   and name HE  ))
 ASSI { 1579}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 44   and name HE1 ))
      4.200     2.400     1.800 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.27013E-03 ppm1      3.990 ppm2      7.269 CV     1
 OR { 1579}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 44   and name HE1 ))
 ASSI { 1581}
   (( segid "    " and resid 44   and name HE1 ))
   (( segid "    " and resid 28   and name HN  ))
      3.900     2.100     2.100 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.47159E-03 ppm1      7.271 ppm2      9.138 CV     1
 OR { 1581}
   (( segid "    " and resid 22   and name HE  ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI { 1598}
   (( segid "    " and resid 670  and name HG2%))
   (( segid "    " and resid 671  and name HN  ))
      6.000     4.700     0.000 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.664 ppm2      8.967 CV     1
 OR { 1598}
   (( segid "    " and resid 57   and name HD1%))
   (( segid "    " and resid 73   and name HN  ))
 OR { 1598}
   (( segid "    " and resid 57   and name HD1%))
   (( segid "    " and resid 74   and name HN  ))
 ASSI { 1608}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HD2%))
      3.900     2.100     2.100 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.46014E-03 ppm1      4.148 ppm2     -0.814 CV     1
 OR { 1608}
   (( segid "    " and resid 66   and name HB  ))
   (( segid "    " and resid 48   and name HD2%))
 ASSI { 1609}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 48   and name HD2%))
      6.000     4.700     0.000 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.445 ppm2     -0.814 CV     1
 OR { 1609}
   (( segid "    " and resid 670  and name HA  ))
   (( segid "    " and resid 48   and name HD2%))
 ASSI { 1610}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      6.000     4.700     0.000 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.615 ppm2     10.077 CV     1
 OR { 1610}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1611}
   (( segid "    " and resid 46   and name HG3 ))
   (( segid "    " and resid 45   and name HN  ))
      3.600     1.800     1.800 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.72569E-03 ppm1      1.633 ppm2     10.033 CV     1
 OR { 1611}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 1616}
   (( segid "    " and resid 48   and name HD1%))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.700     0.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.117 ppm2      8.406 CV     1
 OR { 1616}
   (( segid "    " and resid 48   and name HD1%))
   (( segid "    " and resid 670  and name HN  ))
 ASSI { 1620}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HE  ))
      3.400     1.600     1.600 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.10027E-02 ppm1      4.376 ppm2      7.077 CV     1
 OR { 1620}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 56   and name HE22))
 ASSI { 1630}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     1.400     1.400 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.19642E-02 ppm1      4.405 ppm2      5.709 CV     1
 OR { 1630}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1634}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 72   and name HA  ))
      6.000     4.700     0.000 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.568 ppm2      6.141 CV     1
 OR { 1634}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 1636}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 911  and name HN  ))
      4.300     2.500     1.700 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.24724E-03 ppm1      1.320 ppm2      8.204 CV     1
 OR { 1636}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 1638}
   (( segid "    " and resid 677  and name HN  ))
   (( segid "    " and resid 679  and name HN  ))
      6.000     4.700     0.000 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.620 ppm2      8.410 CV     1
 OR { 1638}
   (( segid "    " and resid 677  and name HN  ))
   (( segid "    " and resid 680  and name HN  ))
 ASSI { 1642}
   (( segid "    " and resid 71   and name HG2%))
   (( segid "    " and resid 49   and name HN  ))
      3.300     1.500     1.500 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.12454E-02 ppm1      0.587 ppm2      7.456 CV     1
 OR { 1642}
   (( segid "    " and resid 48   and name HG  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 1651}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 42   and name HD% ))
      6.000     4.700     0.000 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.815 ppm2      7.232 CV     1
 OR { 1651}
   (( segid "    " and resid 673  and name HD1%))
   (( segid "    " and resid 42   and name HD% ))
 OR { 1651}
   (( segid "    " and resid 653  and name HD1%))
   (( segid "    " and resid 650  and name HD% ))
 OR { 1651}
   (( segid "    " and resid 653  and name HD1%))
   (( segid "    " and resid 655  and name HD1 ))
 ASSI { 1654}
   (( segid "    " and resid 673  and name HG2%))
   (( segid "    " and resid 37   and name HE% ))
      6.000     4.700     0.000 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.766 ppm2      6.399 CV     1
 OR { 1654}
   (( segid "    " and resid 35   and name HD2%))
   (( segid "    " and resid 37   and name HE% ))
 ASSI { 1660}
   (( segid "    " and resid 31   and name HB% ))
   (( segid "    " and resid 20   and name HZ3 ))
      3.300     1.500     1.500 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.13049E-02 ppm1      1.275 ppm2      6.945 CV     1
 OR { 1660}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 20   and name HZ3 ))
 ASSI { 1675}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HE% ))
      6.000     4.700     0.000 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.451 ppm2      1.580 CV     1
 OR { 1675}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HB  ))
 OR { 1675}
   (( segid "    " and resid 681  and name HA  ))
   (( segid "    " and resid 683  and name HB2 ))
 ASSI { 1699}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 668  and name HB3 ))
      6.000     4.700     0.000 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.086 ppm2      1.402 CV     1
 OR { 1699}
   (( segid "    " and resid 651  and name HB2 ))
   (( segid "    " and resid 653  and name HG12))
 OR { 1699}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 55   and name HB% ))
 ASSI { 1737}
   (( segid "    " and resid 48   and name HD2%))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.700     0.000 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.818 ppm2      8.400 CV     1
 OR { 1737}
   (( segid "    " and resid 48   and name HD2%))
   (( segid "    " and resid 670  and name HN  ))
 ASSI {  708}
   (( segid "    " and resid 658  and name HN  ))
   (( segid "    " and resid 661  and name HB% ))
      6.000     4.700     0.000 peak   708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.400 ppm2      1.401 CV     1
 OR {  708}
   (( segid "    " and resid 670  and name HN  ))
   (( segid "    " and resid 668  and name HB3 ))
 ASSI {  719}
   (( segid "    " and resid 669  and name HN  ))
   (( segid "    " and resid 667  and name HG2 ))
      3.700     1.900     1.900 peak   719 spectrum    1 weight  0.10000E+01 volume  0.11024E-02 ppm1      8.508 ppm2      1.155 CV     1
 OR {  719}
   (( segid "    " and resid 669  and name HN  ))
   (( segid "    " and resid 38   and name HB% ))
 OR {  719}
   (( segid "    " and resid 669  and name HN  ))
   (( segid "    " and resid 66   and name HG2%))
 OR {  719}
   (( segid "    " and resid 669  and name HN  ))
   (( segid "    " and resid 667  and name HD2 ))
 OR {  719}
   (( segid "    " and resid 669  and name HN  ))
   (( segid "    " and resid 667  and name HG3 ))
 ASSI {  722}
   (( segid "    " and resid 674  and name HN  ))
   (( segid "    " and resid 673  and name HG13))
      3.700     1.900     1.900 peak   722 spectrum    1 weight  0.10000E+01 volume  0.12331E-02 ppm1      8.681 ppm2      1.239 CV     1
 OR {  722}
   (( segid "    " and resid 674  and name HN  ))
   (( segid "    " and resid 675  and name HG2%))
 ASSI {  728}
   (( segid "    " and resid 683  and name HN  ))
   (( segid "    " and resid 684  and name HA2 ))
      3.500     1.800     1.800 peak   728 spectrum    1 weight  0.10000E+01 volume  0.15508E-02 ppm1      8.188 ppm2      3.882 CV     1
 OR {  728}
   (( segid "    " and resid 683  and name HN  ))
   (( segid "    " and resid 681  and name HB2 ))
 OR {  728}
   (( segid "    " and resid 683  and name HN  ))
   (( segid "    " and resid 681  and name HB3 ))
 ASSI {  751}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG13))
      4.500     2.700     1.500 peak   751 spectrum    1 weight  0.10000E+01 volume  0.38115E-03 ppm1      8.767 ppm2      1.255 CV     1
 OR {  751}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HG2%))
 ASSI {  764}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 72   and name HD2%))
      6.000     4.700     0.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.001 ppm2      1.105 CV     1
 OR {  764}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HG2%))
 ASSI {  770}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.000     1.300     1.300 peak   770 spectrum    1 weight  0.10000E+01 volume  0.44280E-02 ppm1      9.038 ppm2      1.897 CV     1
 OR {  770}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HB3 ))
 OR {  770}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
 ASSI {  773}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      4.300     2.500     1.700 peak   773 spectrum    1 weight  0.10000E+01 volume  0.47738E-03 ppm1      8.958 ppm2      1.881 CV     1
 OR {  773}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HB3 ))
 ASSI {  776}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HD% ))
      3.500     1.800     1.800 peak   776 spectrum    1 weight  0.10000E+01 volume  0.15040E-02 ppm1      8.958 ppm2      6.475 CV     1
 OR {  776}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 65   and name HD% ))
 ASSI {  789}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HB3 ))
      6.000     4.700     0.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.627 ppm2      1.280 CV     1
 OR {  789}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 29   and name HG2 ))
 OR {  789}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 22   and name HG3 ))
 ASSI {  799}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HD% ))
      6.000     4.700     0.000 peak   799 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.529 ppm2      7.272 CV     1
 OR {  799}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 22   and name HE  ))
 ASSI {  827}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HG3 ))
      6.000     4.700     0.000 peak   827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.830 ppm2      1.618 CV     1
 OR {  827}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI {  869}
   (( segid "    " and resid 674  and name HN  ))
   (( segid "    " and resid 672  and name HG2%))
      6.000     4.700     0.000 peak   869 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.681 ppm2      0.938 CV     1
 OR {  869}
   (( segid "    " and resid 674  and name HN  ))
   (( segid "    " and resid 35   and name HD1%))
 ASSI {  305}
   (( segid "    " and resid 39   and name HE% ))
   (( segid "    " and resid 64   and name HB3 ))
      6.000     4.700     0.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.590 ppm2      3.457 CV     1
 OR {  305}
   (( segid "    " and resid 39   and name HE% ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  306}
   (( segid "    " and resid 39   and name HE% ))
   (( segid "    " and resid 69   and name HA2 ))
      6.000     4.700     0.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.590 ppm2      3.591 CV     1
 OR {  306}
   (( segid "    " and resid 39   and name HE% ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  380}
   (( segid "    " and resid 668  and name HB3 ))
   (( segid "    " and resid 66   and name HG2%))
      4.300     2.500     1.700 peak   380 spectrum    1 weight  0.10000E+01 volume  0.15694E-02 ppm1      1.411 ppm2      1.137 CV     1
 OR {  380}
   (( segid "    " and resid 668  and name HB3 ))
   (( segid "    " and resid 38   and name HB% ))
 ASSI {  381}
   (( segid "    " and resid 668  and name HB3 ))
   (( segid "    " and resid 670  and name HG2%))
      5.600     4.100     0.400 peak   381 spectrum    1 weight  0.10000E+01 volume  0.34674E-03 ppm1      1.417 ppm2      0.654 CV     1
 OR {  381}
   (( segid "    " and resid 668  and name HB3 ))
   (( segid "    " and resid 71   and name HD1%))
 OR {  381}
   (( segid "    " and resid 668  and name HB3 ))
   (( segid "    " and resid 57   and name HD1%))
 ASSI {  382}
   (( segid "    " and resid 668  and name HB2 ))
   (( segid "    " and resid 670  and name HG2%))
      5.200     3.500     0.800 peak   382 spectrum    1 weight  0.10000E+01 volume  0.54650E-03 ppm1      1.816 ppm2      0.651 CV     1
 OR {  382}
   (( segid "    " and resid 668  and name HB2 ))
   (( segid "    " and resid 71   and name HD1%))
 ASSI {  384}
   (( segid "    " and resid 668  and name HB3 ))
   (( segid "    " and resid 667  and name HB3 ))
      6.000     4.700     0.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.417 ppm2      1.635 CV     1
 OR {  384}
   (( segid "    " and resid 668  and name HB3 ))
   (( segid "    " and resid 71   and name HG12))
 ASSI {  403}
   (( segid "    " and resid 675  and name HG2%))
   (( segid "    " and resid 673  and name HG2%))
      6.000     4.700     0.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.223 ppm2      0.762 CV     1
 OR {  403}
   (( segid "    " and resid 675  and name HG2%))
   (( segid "    " and resid 35   and name HD2%))
 ASSI {  409}
   (( segid "    " and resid 38   and name HB% ))
   (( segid "    " and resid 670  and name HG2%))
      6.000     4.700     0.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.153 ppm2      0.654 CV     1
 OR {  409}
   (( segid "    " and resid 38   and name HB% ))
   (( segid "    " and resid 71   and name HD1%))
 ASSI {  419}
   (( segid "    " and resid 673  and name HG13))
   (( segid "    " and resid 671  and name HB  ))
      5.600     4.100     0.400 peak   419 spectrum    1 weight  0.10000E+01 volume  0.34119E-03 ppm1      1.258 ppm2      4.254 CV     1
 OR {  419}
   (( segid "    " and resid 22   and name HG3 ))
   (( segid "    " and resid 27   and name HA1 ))
 ASSI {  420}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 27   and name HA1 ))
      3.800     2.000     2.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.33935E-02 ppm1      1.423 ppm2      4.254 CV     1
 OR {  420}
   (( segid "    " and resid 657  and name HG12))
   (( segid "    " and resid 654  and name HA  ))
 ASSI {  429}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HG2 ))
      6.000     4.700     0.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.511 ppm2      1.259 CV     1
 OR {  429}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HG3 ))
 OR {  429}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HG3 ))
 ASSI {  430}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HG2%))
      6.000     4.700     0.000 peak   430 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.511 ppm2      0.912 CV     1
 OR {  430}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 30   and name HG2%))
 OR {  430}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 30   and name HG2%))
 ASSI {  546}
   (( segid "    " and resid 35   and name HD1%))
   (( segid "    " and resid 42   and name HA  ))
      6.000     4.700     0.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.933 ppm2      5.709 CV     1
 OR {  546}
   (( segid "    " and resid 35   and name HD1%))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  547}
   (( segid "    " and resid 35   and name HD2%))
   (( segid "    " and resid 673  and name HG13))
      6.000     4.700     0.000 peak   547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.757 ppm2      1.231 CV     1
 OR {  547}
   (( segid "    " and resid 35   and name HD2%))
   (( segid "    " and resid 675  and name HG2%))
 ASSI {  557}
   (( segid "    " and resid 72   and name HD2%))
   (( segid "    " and resid 52   and name HB2 ))
      6.000     4.700     0.000 peak   557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.097 ppm2      3.778 CV     1
 OR {  557}
   (( segid "    " and resid 72   and name HD2%))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  559}
   (( segid "    " and resid 72   and name HD2%))
   (( segid "    " and resid 68   and name HB2 ))
      6.000     4.700     0.000 peak   559 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.097 ppm2      4.247 CV     1
 OR {  559}
   (( segid "    " and resid 72   and name HD2%))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  564}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 74   and name HG2 ))
      6.000     4.700     0.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.471 ppm2      1.585 CV     1
 OR {  564}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 39   and name HE% ))
 OR {  564}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 48   and name HB2 ))