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
274166 2k9i 15987 cing 1-original 4 ARIA distance NOE ambi


! distance restraints

ref_spec: weit, ref_peak: 1, id: 967, d: 4.60, u: 5.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   LYS45   HA    d: 5.11 +/- 0.21, weight: 0.5

      TRP21  HE1 -   LYS45   HA    d: 5.11 +/- 0.21, weight: 0.5

ref_spec: weit, ref_peak: 2, id: 968, d: 3.73, u: 5.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   PRO18  HG3    d: 4.77 +/- 0.48, weight: 0.2

      TRP21  HE1 -   PRO18  HB2    d: 4.39 +/- 0.55, weight: 0.4

      TRP21  HE1 -   PRO18  HG3    d: 4.72 +/- 0.61, weight: 0.2

ref_spec: weit, ref_peak: 3, id: 969, d: 6.17, u: 6.94, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   ILE17 HG21    d: 7.90 +/- 0.09, weight: 0.4
      TRP21  HE1 -   ILE17 HG22
      TRP21  HE1 -   ILE17 HG23

      TRP21  HE1 -   ALA43  HB1    d: 10.43 +/- 0.25, weight: 0.1
      TRP21  HE1 -   ALA43  HB2
      TRP21  HE1 -   ALA43  HB3

      TRP21  HE1 -   ILE17 HG21    d: 7.90 +/- 0.09, weight: 0.4
      TRP21  HE1 -   ILE17 HG22
      TRP21  HE1 -   ILE17 HG23

      TRP21  HE1 -   ALA43  HB1    d: 10.43 +/- 0.25, weight: 0.1
      TRP21  HE1 -   ALA43  HB2
      TRP21  HE1 -   ALA43  HB3

ref_spec: weit, ref_peak: 4, id: 970, d: 4.20, u: 10.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19    H -   GLY10    H    d: 3.63 +/- 0.40, weight: 0.5

      GLN19    H -   GLY10    H    d: 3.63 +/- 0.40, weight: 0.5

ref_spec: weit, ref_peak: 5, id: 971, d: 4.15, u: 8.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19    H -    ASN9  HB2    d: 3.62 +/- 0.79, weight: 0.5
      GLN19    H -    ASN9  HB3

      GLN19    H -    ASN9  HB2    d: 3.61 +/- 0.80, weight: 0.5
      GLN19    H -    ASN9  HB3

ref_spec: weit, ref_peak: 6, id: 972, d: 6.26, u: 6.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36    H -   MET26  HB2    d: 6.58 +/- 0.35, weight: 0.5

      LEU36    H -   MET26  HB2    d: 6.58 +/- 0.35, weight: 0.5

ref_spec: weit, ref_peak: 7, id: 973, d: 4.02, u: 4.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36    H -   THR35 HG21    d: 4.46 +/- 0.08, weight: 0.5
      LEU36    H -   THR35 HG22
      LEU36    H -   THR35 HG23

      LEU36    H -   THR35 HG21    d: 4.46 +/- 0.08, weight: 0.5
      LEU36    H -   THR35 HG22
      LEU36    H -   THR35 HG23

ref_spec: weit, ref_peak: 8, id: 974, d: 5.85, u: 7.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36    H -   LEU34 HD11    d: 8.67 +/- 0.05, weight: 0.1
      LEU36    H -   LEU34 HD12
      LEU36    H -   LEU34 HD13

      LEU36    H -   ILE44 HD11    d: 8.00 +/- 0.28, weight: 0.2
      LEU36    H -   ILE44 HD12
      LEU36    H -   ILE44 HD13

      LEU36    H -   ILE44 HD11    d: 7.99 +/- 0.28, weight: 0.2
      LEU36    H -   ILE44 HD12
      LEU36    H -   ILE44 HD13

      LEU36    H -   LEU25 HD21    d: 9.39 +/- 0.60, weight: 0.1
      LEU36    H -   LEU25 HD22
      LEU36    H -   LEU25 HD23

      LEU36    H -   LEU34 HD11    d: 8.67 +/- 0.05, weight: 0.1
      LEU36    H -   LEU34 HD12
      LEU36    H -   LEU34 HD13

ref_spec: weit, ref_peak: 9, id: 975, d: 1.89, u: 3.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13    H -   LYS12   HA    d: 2.16 +/- 0.14, weight: 0.5

      LEU13    H -   LYS12   HA    d: 2.16 +/- 0.14, weight: 0.5

ref_spec: weit, ref_peak: 10, id: 976, d: 3.74, u: 4.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13    H -   LYS12  HB2    d: 4.09 +/- 0.28, weight: 0.5

      LEU13    H -   LYS12  HB2    d: 4.13 +/- 0.27, weight: 0.5

ref_spec: weit, ref_peak: 11, id: 977, d: 4.73, u: 5.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11    H -   GLN19   HA    d: 5.53 +/- 0.49, weight: 0.4

      ILE11    H -   GLN19   HA    d: 5.54 +/- 0.49, weight: 0.4

ref_spec: weit, ref_peak: 12, id: 978, d: 6.06, u: 6.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11    H -    ASN9  HB2    d: 6.63 +/- 0.51, weight: 0.4
      ILE11    H -    ASN9  HB3

      ILE11    H -    ASN9  HB2    d: 6.63 +/- 0.51, weight: 0.4
      ILE11    H -    ASN9  HB3

      ILE11    H -   LYS12  HE2    d: 7.98 +/- 0.67, weight: 0.1
      ILE11    H -   LYS12  HE3

ref_spec: weit, ref_peak: 13, id: 979, d: 5.42, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23    H -   ARG24  HG2    d: 6.25 +/- 0.47, weight: 0.4
      ASP23    H -   ARG24  HG3

      ASP23    H -   ARG24  HG2    d: 6.25 +/- 0.47, weight: 0.4
      ASP23    H -   ARG24  HG3

ref_spec: weit, ref_peak: 14, id: 980, d: 4.64, u: 5.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   ILE11 HG13    d: 5.26 +/- 0.71, weight: 0.5

      ILE17    H -   ILE11 HG13    d: 5.28 +/- 0.77, weight: 0.5

ref_spec: weit, ref_peak: 15, id: 981, d: 2.75, u: 5.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3    H -    PRO4  HD3    d: 3.40 +/- 0.69, weight: 0.4

       ARG3    H -    PRO4  HD3    d: 3.08 +/- 0.60, weight: 0.6

ref_spec: weit, ref_peak: 16, id: 982, d: 4.46, u: 8.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3    H -    ARG3  HD2    d: 4.99 +/- 0.48, weight: 0.5
       ARG3    H -    ARG3  HD3

       ARG3    H -    ARG3  HD2    d: 4.99 +/- 0.48, weight: 0.5
       ARG3    H -    ARG3  HD3

ref_spec: weit, ref_peak: 17, id: 983, d: 3.09, u: 7.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR35    H -   ASP38  HB3    d: 3.12 +/- 0.13, weight: 0.5

      THR35    H -   ASP38  HB3    d: 3.12 +/- 0.13, weight: 0.5

ref_spec: weit, ref_peak: 18, id: 984, d: 4.66, u: 7.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      SER37    H -   CYS40  HB3    d: 5.30 +/- 0.54, weight: 0.4

      SER37    H -   CYS40  HB3    d: 5.24 +/- 0.53, weight: 0.5

ref_spec: weit, ref_peak: 19, id: 985, d: 2.75, u: 5.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR35    H -   THR35 HG21    d: 3.10 +/- 0.13, weight: 0.5
      THR35    H -   THR35 HG22
      THR35    H -   THR35 HG23

      THR35    H -   THR35 HG21    d: 3.10 +/- 0.13, weight: 0.5
      THR35    H -   THR35 HG22
      THR35    H -   THR35 HG23

ref_spec: weit, ref_peak: 20, id: 986, d: 5.48, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25    H -   ARG24 HH11    d: 5.97 +/- 0.19, weight: 0.5
      LEU25    H -   ARG24 HH12

      LEU25    H -   ARG24 HH11    d: 5.97 +/- 0.19, weight: 0.5
      LEU25    H -   ARG24 HH12

ref_spec: weit, ref_peak: 21, id: 987, d: 3.53, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS12    H -   ILE11    H    d: 4.34 +/- 0.16, weight: 0.3

      LEU13    H -   LYS12    H    d: 4.38 +/- 0.05, weight: 0.2

      LYS12    H -   ILE11    H    d: 4.34 +/- 0.16, weight: 0.3

      LEU13    H -   LYS12    H    d: 4.38 +/- 0.05, weight: 0.2

ref_spec: weit, ref_peak: 22, id: 988, d: 2.23, u: 5.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45    H -   ILE44    H    d: 2.45 +/- 0.02, weight: 0.5

      LYS45    H -   ILE44    H    d: 2.45 +/- 0.02, weight: 0.5

ref_spec: weit, ref_peak: 23, id: 989, d: 3.41, u: 3.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45    H -   ARG41   HA    d: 4.56 +/- 0.16, weight: 0.2

      LEU48    H -   GLU46   HA    d: 4.46 +/- 0.06, weight: 0.2

      LYS45    H -   ARG41   HA    d: 4.56 +/- 0.16, weight: 0.2

      LEU48    H -   GLU46   HA    d: 4.46 +/- 0.06, weight: 0.2

ref_spec: weit, ref_peak: 24, id: 990, d: 2.61, u: 4.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS12    H -   LYS12   HA    d: 2.92 +/- 0.02, weight: 0.5

      LYS12    H -   LYS12   HA    d: 2.92 +/- 0.02, weight: 0.5

ref_spec: weit, ref_peak: 25, id: 991, d: 2.58, u: 3.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48    H -   TYR47  HB3    d: 3.14 +/- 0.57, weight: 0.3

      LEU48    H -   TYR47  HB3    d: 2.77 +/- 0.59, weight: 0.6

ref_spec: weit, ref_peak: 26, id: 992, d: 2.44, u: 3.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48    H -   TYR47  HB2    d: 2.75 +/- 0.58, weight: 0.7

      LEU48    H -   TYR47  HB2    d: 3.11 +/- 0.58, weight: 0.3

ref_spec: weit, ref_peak: 27, id: 993, d: 4.45, u: 5.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45    H -   GLU46  HG2    d: 6.38 +/- 0.35, weight: 0.1

      LEU48    H -   GLU46  HG2    d: 5.34 +/- 0.41, weight: 0.2

      LEU48    H -   ASN50  HB2    d: 6.25 +/- 0.88, weight: 0.1

      LYS45    H -   GLU46  HG2    d: 6.43 +/- 0.33, weight: 0.1

      LEU48    H -   GLU46  HG2    d: 7.21 +/- 0.35, weight: 0.0

      LEU48    H -   GLU46  HG2    d: 5.33 +/- 0.40, weight: 0.2

      LEU48    H -   ASN50  HB2    d: 6.18 +/- 0.85, weight: 0.1

ref_spec: weit, ref_peak: 28, id: 994, d: 4.02, u: 4.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45    H -   GLU46  HB2    d: 4.82 +/- 0.09, weight: 0.3
      LYS45    H -   GLU46  HB3

      LEU48    H -   GLU46  HB2    d: 5.60 +/- 0.06, weight: 0.1
      LEU48    H -   GLU46  HB3

      LYS45    H -   ARG41  HG2    d: 6.15 +/- 0.49, weight: 0.1
      LYS45    H -   ARG41  HG3

      LYS45    H -   GLU46  HB2    d: 4.82 +/- 0.09, weight: 0.3
      LYS45    H -   GLU46  HB3

      LEU48    H -   GLU46  HB2    d: 5.60 +/- 0.06, weight: 0.1
      LEU48    H -   GLU46  HB3

ref_spec: weit, ref_peak: 29, id: 995, d: 2.64, u: 3.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45    H -   ILE44   HB    d: 3.07 +/- 0.13, weight: 0.5

      LYS45    H -   ILE44   HB    d: 3.07 +/- 0.13, weight: 0.5

ref_spec: weit, ref_peak: 30, id: 996, d: 2.31, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45    H -   ILE44 HG13    d: 3.18 +/- 0.21, weight: 0.2

      LEU48    H -   LEU48  HB3    d: 3.05 +/- 0.48, weight: 0.3

      LYS45    H -   ILE44 HG13    d: 3.21 +/- 0.25, weight: 0.2

      LEU48    H -   LEU48  HB3    d: 3.16 +/- 0.49, weight: 0.2

ref_spec: weit, ref_peak: 31, id: 997, d: 2.28, u: 2.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45    H -   LYS45  HB2    d: 2.55 +/- 0.05, weight: 0.5

      LYS45    H -   LYS45  HB2    d: 2.53 +/- 0.05, weight: 0.5

ref_spec: weit, ref_peak: 32, id: 998, d: 3.85, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48    H -   ILE44 HG21    d: 4.87 +/- 0.25, weight: 0.2
      LEU48    H -   ILE44 HG22
      LEU48    H -   ILE44 HG23

      LEU48    H -   LEU25   HG    d: 6.95 +/- 0.21, weight: 0.0

      LYS45    H -   LEU25   HG    d: 6.57 +/- 0.21, weight: 0.0

      LYS45    H -   ILE44 HG21    d: 5.05 +/- 0.10, weight: 0.2
      LYS45    H -   ILE44 HG22
      LYS45    H -   ILE44 HG23

      LEU48    H -   ILE44 HG21    d: 4.87 +/- 0.25, weight: 0.2
      LEU48    H -   ILE44 HG22
      LEU48    H -   ILE44 HG23

      LYS45    H -   ILE44 HG21    d: 5.05 +/- 0.10, weight: 0.2
      LYS45    H -   ILE44 HG22
      LYS45    H -   ILE44 HG23

      LYS45    H -   LEU25   HG    d: 6.57 +/- 0.21, weight: 0.0

ref_spec: weit, ref_peak: 33, id: 999, d: 4.45, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45    H -   ILE44 HD11    d: 5.47 +/- 0.17, weight: 0.4
      LYS45    H -   ILE44 HD12
      LYS45    H -   ILE44 HD13

      LYS45    H -   ILE44 HD11    d: 5.47 +/- 0.17, weight: 0.4
      LYS45    H -   ILE44 HD12
      LYS45    H -   ILE44 HD13

ref_spec: weit, ref_peak: 34, id: 1000, d: 3.21, u: 3.45, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48    H -   LEU48 HD21    d: 3.52 +/- 0.12, weight: 0.5
      LEU48    H -   LEU48 HD22
      LEU48    H -   LEU48 HD23

      LEU48    H -   LEU48 HD21    d: 3.52 +/- 0.12, weight: 0.5
      LEU48    H -   LEU48 HD22
      LEU48    H -   LEU48 HD23

ref_spec: weit, ref_peak: 35, id: 1001, d: 3.76, u: 3.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48    H -   LEU48 HD11    d: 4.37 +/- 0.03, weight: 0.4
      LEU48    H -   LEU48 HD12
      LEU48    H -   LEU48 HD13

      LEU48    H -   LEU48 HD11    d: 4.37 +/- 0.03, weight: 0.4
      LEU48    H -   LEU48 HD12
      LEU48    H -   LEU48 HD13

ref_spec: weit, ref_peak: 36, id: 1002, d: 3.13, u: 3.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   LYS45  HB3    d: 3.55 +/- 0.54, weight: 0.3

      GLU46    H -   LYS45  HB3    d: 3.12 +/- 0.57, weight: 0.7

ref_spec: weit, ref_peak: 37, id: 1003, d: 3.85, u: 4.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   ASP38   HA    d: 4.33 +/- 0.11, weight: 0.5

      CYS40    H -   ASP38   HA    d: 4.33 +/- 0.10, weight: 0.5

ref_spec: weit, ref_peak: 38, id: 1004, d: 3.66, u: 6.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54    H -   ASP52   HA    d: 4.32 +/- 0.86, weight: 0.5

      GLN54    H -   ASP52   HA    d: 4.32 +/- 0.86, weight: 0.5

ref_spec: weit, ref_peak: 39, id: 1005, d: 2.57, u: 3.75, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54    H -   LYS53  HB2    d: 3.79 +/- 0.51, weight: 0.5

      GLN54    H -   LYS53  HB2    d: 3.72 +/- 0.69, weight: 0.5

ref_spec: weit, ref_peak: 40, id: 1006, d: 3.77, u: 4.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54    H -   LYS53  HG2    d: 4.93 +/- 0.44, weight: 0.4
      GLN54    H -   LYS53  HG3

      GLN54    H -   LYS53  HG2    d: 4.93 +/- 0.44, weight: 0.4
      GLN54    H -   LYS53  HG3

      GLN54    H -   LYS56  HG2    d: 5.86 +/- 0.86, weight: 0.1
      GLN54    H -   LYS56  HG3

ref_spec: weit, ref_peak: 41, id: 1007, d: 4.52, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54    H -   LYS53  HD2    d: 4.85 +/- 0.36, weight: 0.5
      GLN54    H -   LYS53  HD3

      GLN54    H -   LYS53  HD2    d: 4.86 +/- 0.36, weight: 0.5
      GLN54    H -   LYS53  HD3

ref_spec: weit, ref_peak: 42, id: 1008, d: 4.56, u: 6.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5    H -    LYS6  HG2    d: 5.97 +/- 1.33, weight: 0.4

       TYR5    H -    LYS6  HG2    d: 5.86 +/- 1.28, weight: 0.5

ref_spec: weit, ref_peak: 43, id: 1009, d: 3.74, u: 5.39, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6    H -    PRO4  HB2    d: 5.09 +/- 1.18, weight: 0.4

       LYS6    H -    PRO4  HB2    d: 4.88 +/- 1.04, weight: 0.6

ref_spec: weit, ref_peak: 44, id: 1010, d: 2.17, u: 3.57, u_viol: 0.00, %_viol: 5.0, viol: no, reliable: no, a_type: A
       LYS6    H -    LEU7    H    d: 3.00 +/- 0.69, weight: 0.3

       LEU8    H -    LEU7    H    d: 3.45 +/- 0.94, weight: 0.2

       LYS6    H -    LEU7    H    d: 3.00 +/- 0.69, weight: 0.3

ref_spec: weit, ref_peak: 45, id: 1011, d: 4.72, u: 4.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31    H -   LYS32   HA    d: 5.29 +/- 0.01, weight: 0.5

      GLU31    H -   LYS32   HA    d: 5.29 +/- 0.01, weight: 0.5

ref_spec: weit, ref_peak: 46, id: 1012, d: 3.58, u: 3.90, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53    H -   ASP52  HB2    d: 3.81 +/- 0.67, weight: 0.5

      LYS53    H -   ASP52  HB2    d: 3.80 +/- 0.69, weight: 0.5

ref_spec: weit, ref_peak: 47, id: 1013, d: 2.11, u: 2.94, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53    H -   GLN54    H    d: 2.56 +/- 0.61, weight: 0.5

      LYS53    H -   GLN54    H    d: 2.56 +/- 0.61, weight: 0.5

ref_spec: weit, ref_peak: 48, id: 1014, d: 2.06, u: 3.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53    H -   ASP52   HA    d: 2.57 +/- 0.51, weight: 0.5

      LYS53    H -   ASP52   HA    d: 2.57 +/- 0.51, weight: 0.5

ref_spec: weit, ref_peak: 49, id: 1015, d: 3.04, u: 3.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP52    H -   HIS51   HA    d: 3.55 +/- 0.01, weight: 0.5

      ASP52    H -   HIS51   HA    d: 3.55 +/- 0.01, weight: 0.5

ref_spec: weit, ref_peak: 50, id: 1016, d: 2.44, u: 3.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26    H -   LEU25    H    d: 2.88 +/- 0.02, weight: 0.5

      MET26    H -   LEU25    H    d: 2.88 +/- 0.02, weight: 0.5

ref_spec: weit, ref_peak: 51, id: 1017, d: 3.63, u: 4.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44    H -   TRP21  HH2    d: 4.14 +/- 0.30, weight: 0.5

      ILE44    H -   TRP21  HH2    d: 4.14 +/- 0.30, weight: 0.5

ref_spec: weit, ref_peak: 52, id: 1018, d: 2.85, u: 3.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44    H -   ILE44   HB    d: 3.30 +/- 0.12, weight: 0.4

      ILE44    H -   ILE44   HB    d: 3.30 +/- 0.12, weight: 0.4

ref_spec: weit, ref_peak: 53, id: 1019, d: 2.41, u: 3.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26    H -   LEU25  HB3    d: 2.51 +/- 0.15, weight: 0.5

      MET26    H -   LEU25  HB3    d: 2.48 +/- 0.07, weight: 0.5

ref_spec: weit, ref_peak: 54, id: 1020, d: 2.25, u: 2.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30    H -   LYS30  HB3    d: 2.58 +/- 0.03, weight: 0.5

      LYS30    H -   LYS30  HB3    d: 2.58 +/- 0.03, weight: 0.5

ref_spec: weit, ref_peak: 55, id: 1021, d: 4.24, u: 5.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39    H -   LEU36    H    d: 4.75 +/- 0.08, weight: 0.5

      VAL39    H -   LEU36    H    d: 4.75 +/- 0.08, weight: 0.5

ref_spec: weit, ref_peak: 56, id: 1022, d: 2.37, u: 3.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38    H -   SER37    H    d: 2.65 +/- 0.03, weight: 0.4

      ASP38    H -   SER37    H    d: 2.65 +/- 0.03, weight: 0.4

ref_spec: weit, ref_peak: 57, id: 1023, d: 3.15, u: 3.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38    H -   SER37   HA    d: 3.49 +/- 0.01, weight: 0.5

      ASP38    H -   SER37   HA    d: 3.49 +/- 0.01, weight: 0.5

ref_spec: weit, ref_peak: 58, id: 1024, d: 2.15, u: 4.01, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38    H -   ASP38  HB2    d: 2.11 +/- 0.02, weight: 0.5

      ASP38    H -   ASP38  HB2    d: 2.11 +/- 0.02, weight: 0.5

ref_spec: weit, ref_peak: 59, id: 1025, d: 2.49, u: 3.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33    H -   LYS30   HA    d: 3.05 +/- 0.02, weight: 0.3

       LEU7    H -    LYS6   HA    d: 3.13 +/- 0.52, weight: 0.2

      ASN33    H -   LYS30   HA    d: 3.05 +/- 0.02, weight: 0.3

       LEU7    H -    LYS6   HA    d: 3.13 +/- 0.52, weight: 0.2

ref_spec: weit, ref_peak: 60, id: 1026, d: 4.00, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24 HH11 -   ARG24  HG2    d: 4.59 +/- 0.74, weight: 0.5
      ARG24 HH11 -   ARG24  HG3
      ARG24 HH12 -   ARG24  HG2
      ARG24 HH12 -   ARG24  HG3

      ARG24 HH11 -   ARG24  HG2    d: 4.59 +/- 0.74, weight: 0.5
      ARG24 HH11 -   ARG24  HG3
      ARG24 HH12 -   ARG24  HG2
      ARG24 HH12 -   ARG24  HG3

ref_spec: weit, ref_peak: 61, id: 1027, d: 3.91, u: 4.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10    H -   PRO18   HA    d: 3.38 +/- 0.42, weight: 0.5

      GLY10    H -   PRO18   HA    d: 3.38 +/- 0.42, weight: 0.5

ref_spec: weit, ref_peak: 62, id: 1028, d: 3.81, u: 4.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10    H -    ASN9  HB2    d: 4.08 +/- 0.56, weight: 0.5
      GLY10    H -    ASN9  HB3

      GLY10    H -    ASN9  HB2    d: 4.08 +/- 0.56, weight: 0.5
      GLY10    H -    ASN9  HB3

ref_spec: weit, ref_peak: 63, id: 1029, d: 4.54, u: 4.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10    H -   GLN19  HB3    d: 5.24 +/- 0.89, weight: 0.4

      GLY10    H -   GLN19  HB3    d: 5.13 +/- 0.86, weight: 0.5

ref_spec: weit, ref_peak: 64, id: 1030, d: 5.06, u: 5.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10    H -   PRO18  HG3    d: 5.80 +/- 0.64, weight: 0.2

      GLY10    H -   PRO18  HB2    d: 5.21 +/- 0.72, weight: 0.4

      GLY10    H -   PRO18  HG3    d: 5.77 +/- 0.59, weight: 0.2

      GLY10    H -   PRO18  HB2    d: 5.73 +/- 0.58, weight: 0.2

ref_spec: weit, ref_peak: 65, id: 1031, d: 3.47, u: 4.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28    H -   LEU25   HA    d: 3.62 +/- 0.06, weight: 0.5

      ILE28    H -   LEU25   HA    d: 3.62 +/- 0.06, weight: 0.5

ref_spec: weit, ref_peak: 66, id: 1032, d: 1.97, u: 2.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HB -   ILE28    H    d: 2.95 +/- 0.11, weight: 0.3

      ILE28   HB -   ILE28    H    d: 2.95 +/- 0.11, weight: 0.3

      LEU42    H -   LEU42  HB3    d: 3.00 +/- 0.50, weight: 0.3

ref_spec: weit, ref_peak: 67, id: 1033, d: 4.39, u: 5.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51    H -   LEU48  HB2    d: 4.92 +/- 0.15, weight: 0.4

      HIS51    H -   LEU48  HB2    d: 4.89 +/- 0.17, weight: 0.4

ref_spec: weit, ref_peak: 68, id: 1034, d: 4.26, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   ASN50    H    d: 4.67 +/- 0.05, weight: 0.5

      TYR47    H -   ASN50    H    d: 4.67 +/- 0.05, weight: 0.5

ref_spec: weit, ref_peak: 69, id: 1035, d: 3.38, u: 4.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27    H -   ILE28 HG12    d: 4.18 +/- 0.41, weight: 0.3

      TYR47    H -   ILE44 HG21    d: 5.04 +/- 0.07, weight: 0.1
      TYR47    H -   ILE44 HG22
      TYR47    H -   ILE44 HG23

      GLU27    H -   ILE28 HG12    d: 4.19 +/- 0.43, weight: 0.3

      ARG41 HH11 -   LEU42 HD11    d: 5.63 +/- 0.38, weight: 0.0
      ARG41 HH11 -   LEU42 HD12
      ARG41 HH11 -   LEU42 HD13
      ARG41 HH12 -   LEU42 HD11
      ARG41 HH12 -   LEU42 HD12
      ARG41 HH12 -   LEU42 HD13

      TYR47    H -   ILE44 HG21    d: 5.04 +/- 0.07, weight: 0.1
      TYR47    H -   ILE44 HG22
      TYR47    H -   ILE44 HG23

ref_spec: weit, ref_peak: 70, id: 1036, d: 5.83, u: 6.00, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27    H -   ILE44 HD11    d: 10.02 +/- 0.29, weight: 0.0
      GLU27    H -   ILE44 HD12
      GLU27    H -   ILE44 HD13

      ARG41 HH11 -   ILE44 HD11    d: 8.75 +/- 0.47, weight: 0.1
      ARG41 HH11 -   ILE44 HD12
      ARG41 HH11 -   ILE44 HD13
      ARG41 HH12 -   ILE44 HD11
      ARG41 HH12 -   ILE44 HD12
      ARG41 HH12 -   ILE44 HD13

      TYR47    H -   ILE44 HD11    d: 7.30 +/- 0.18, weight: 0.3
      TYR47    H -   ILE44 HD12
      TYR47    H -   ILE44 HD13

      TYR47    H -   ILE44 HD11    d: 10.21 +/- 0.31, weight: 0.0
      TYR47    H -   ILE44 HD12
      TYR47    H -   ILE44 HD13

      GLU27    H -   ILE44 HD11    d: 10.02 +/- 0.29, weight: 0.0
      GLU27    H -   ILE44 HD12
      GLU27    H -   ILE44 HD13

      ARG41 HH11 -   ILE44 HD11    d: 8.75 +/- 0.47, weight: 0.1
      ARG41 HH11 -   ILE44 HD12
      ARG41 HH11 -   ILE44 HD13
      ARG41 HH12 -   ILE44 HD11
      ARG41 HH12 -   ILE44 HD12
      ARG41 HH12 -   ILE44 HD13

      TYR47    H -   ILE44 HD11    d: 7.30 +/- 0.18, weight: 0.3
      TYR47    H -   ILE44 HD12
      TYR47    H -   ILE44 HD13

ref_spec: weit, ref_peak: 71, id: 1037, d: 4.61, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   LEU48 HD21    d: 5.94 +/- 0.13, weight: 0.2
      TYR47    H -   LEU48 HD22
      TYR47    H -   LEU48 HD23

      GLU27    H -   LEU25 HD11    d: 6.03 +/- 0.26, weight: 0.1
      GLU27    H -   LEU25 HD12
      GLU27    H -   LEU25 HD13

      GLU27    H -   ILE28 HD11    d: 6.08 +/- 0.23, weight: 0.1
      GLU27    H -   ILE28 HD12
      GLU27    H -   ILE28 HD13

      TYR47    H -   LEU48 HD21    d: 5.94 +/- 0.13, weight: 0.2
      TYR47    H -   LEU48 HD22
      TYR47    H -   LEU48 HD23

      GLU27    H -   LEU25 HD11    d: 6.03 +/- 0.26, weight: 0.1
      GLU27    H -   LEU25 HD12
      GLU27    H -   LEU25 HD13

      GLU27    H -   ILE28 HD11    d: 6.08 +/- 0.23, weight: 0.1
      GLU27    H -   ILE28 HD12
      GLU27    H -   ILE28 HD13

ref_spec: weit, ref_peak: 72, id: 1038, d: 2.46, u: 5.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ2 -   LYS45  HB3    d: 3.90 +/- 0.88, weight: 0.2

      TRP21  HZ2 -   LYS45  HB3    d: 3.28 +/- 0.76, weight: 0.7

ref_spec: weit, ref_peak: 73, id: 1039, d: 2.16, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE3 -   TRP21  HZ3    d: 2.43 +/- 0.01, weight: 0.5

      TRP21  HE3 -   TRP21  HZ3    d: 2.43 +/- 0.01, weight: 0.5

ref_spec: weit, ref_peak: 74, id: 1040, d: 4.11, u: 4.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE3 -   TRP21   HA    d: 4.89 +/- 0.05, weight: 0.4

      TRP21  HE3 -   TRP21   HA    d: 4.89 +/- 0.05, weight: 0.4

ref_spec: weit, ref_peak: 75, id: 1041, d: 3.36, u: 5.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ2 -   LYS45   HA    d: 4.00 +/- 0.26, weight: 0.5

      TRP21  HZ2 -   LYS45   HA    d: 4.00 +/- 0.26, weight: 0.5

ref_spec: weit, ref_peak: 76, id: 1042, d: 2.09, u: 5.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE3 -   ILE17   HB    d: 2.51 +/- 0.10, weight: 0.5

      TRP21  HE3 -   ILE17   HB    d: 2.51 +/- 0.10, weight: 0.5

ref_spec: weit, ref_peak: 77, id: 1043, d: 3.43, u: 4.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE3 -   ILE17 HG13    d: 3.29 +/- 0.57, weight: 0.4

      TRP21  HE3 -   ILE17 HG13    d: 3.17 +/- 0.54, weight: 0.5

ref_spec: weit, ref_peak: 78, id: 1044, d: 3.48, u: 4.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE3 -   LEU25   HG    d: 3.37 +/- 0.20, weight: 0.4

      TRP21  HE3 -   LEU25   HG    d: 3.37 +/- 0.20, weight: 0.4

ref_spec: weit, ref_peak: 79, id: 1045, d: 3.35, u: 5.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE3 -   ILE44 HD11    d: 2.97 +/- 0.33, weight: 0.5
      TRP21  HE3 -   ILE44 HD12
      TRP21  HE3 -   ILE44 HD13

      TRP21  HE3 -   ILE44 HD11    d: 2.97 +/- 0.33, weight: 0.5
      TRP21  HE3 -   ILE44 HD12
      TRP21  HE3 -   ILE44 HD13

ref_spec: weit, ref_peak: 80, id: 1046, d: 2.43, u: 4.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ASN9 HD22 -    ASN9  HB2    d: 2.82 +/- 0.50, weight: 0.5
       ASN9 HD22 -    ASN9  HB3

       ASN9 HD22 -    ASN9  HB2    d: 2.77 +/- 0.48, weight: 0.5
       ASN9 HD22 -    ASN9  HB3

ref_spec: weit, ref_peak: 81, id: 1047, d: 4.56, u: 6.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3 HH11 -    ARG3  HB2    d: 5.07 +/- 0.14, weight: 0.5
       ARG3 HH11 -    ARG3  HB3
       ARG3 HH12 -    ARG3  HB2
       ARG3 HH12 -    ARG3  HB3

       ARG3 HH11 -    ARG3  HB2    d: 5.07 +/- 0.14, weight: 0.5
       ARG3 HH11 -    ARG3  HB3
       ARG3 HH12 -    ARG3  HB2
       ARG3 HH12 -    ARG3  HB3

ref_spec: weit, ref_peak: 82, id: 1048, d: 3.03, u: 3.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   LYS45    H    d: 3.42 +/- 0.17, weight: 0.5

      TRP21  HH2 -   LYS45    H    d: 3.42 +/- 0.17, weight: 0.5

ref_spec: weit, ref_peak: 83, id: 1049, d: 4.59, u: 4.39, u_viol: 0.20, %_viol: 100.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   ARG41    H    d: 5.05 +/- 0.13, weight: 0.5

      TRP21  HH2 -   ARG41    H    d: 5.05 +/- 0.13, weight: 0.5

ref_spec: weit, ref_peak: 84, id: 1050, d: 3.17, u: 5.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21    H -   GLN19   HA    d: 3.65 +/- 0.05, weight: 0.4

      TRP21    H -   GLN19   HA    d: 3.66 +/- 0.05, weight: 0.4

ref_spec: weit, ref_peak: 85, id: 1051, d: 6.26, u: 7.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21    H -   GLY10  HA2    d: 6.80 +/- 0.37, weight: 0.4

      TRP21  HH2 -   GLY10  HA2    d: 8.60 +/- 0.28, weight: 0.1

      TRP21    H -   GLY10  HA2    d: 6.79 +/- 0.32, weight: 0.4

ref_spec: weit, ref_peak: 86, id: 1052, d: 4.23, u: 4.29, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   LYS45   HA    d: 4.78 +/- 0.11, weight: 0.5

      TRP21  HH2 -   LYS45   HA    d: 4.78 +/- 0.11, weight: 0.5

ref_spec: weit, ref_peak: 87, id: 1053, d: 3.44, u: 3.69, u_viol: 0.09, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD2 -   TRP21  HH2    d: 4.54 +/- 0.28, weight: 0.2

      TRP21    H -   GLU20  HG2    d: 4.41 +/- 0.05, weight: 0.2
      TRP21    H -   GLU20  HG3

      PRO18  HD2 -   TRP21  HH2    d: 4.49 +/- 0.27, weight: 0.2

      PRO18  HD2 -   TRP21    H    d: 4.65 +/- 0.80, weight: 0.1

      TRP21    H -   GLU20  HG2    d: 4.41 +/- 0.05, weight: 0.2
      TRP21    H -   GLU20  HG3

ref_spec: weit, ref_peak: 88, id: 1054, d: 3.08, u: 4.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   LYS45  HB3    d: 4.05 +/- 0.63, weight: 0.3

      TRP21  HH2 -   LYS45  HB3    d: 3.60 +/- 0.60, weight: 0.6

ref_spec: weit, ref_peak: 89, id: 1055, d: 5.01, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21    H -   ILE17 HG13    d: 4.64 +/- 0.68, weight: 0.4

      TRP21    H -   ILE17 HG13    d: 4.50 +/- 0.62, weight: 0.5

ref_spec: weit, ref_peak: 90, id: 1056, d: 3.86, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   ILE17 HG21    d: 4.95 +/- 0.18, weight: 0.4
      TRP21  HH2 -   ILE17 HG22
      TRP21  HH2 -   ILE17 HG23

      TRP21  HH2 -   ALA43  HB1    d: 7.01 +/- 0.25, weight: 0.0
      TRP21  HH2 -   ALA43  HB2
      TRP21  HH2 -   ALA43  HB3

      TRP21  HH2 -   ALA43  HB1    d: 7.01 +/- 0.25, weight: 0.0
      TRP21  HH2 -   ALA43  HB2
      TRP21  HH2 -   ALA43  HB3

      TRP21  HH2 -   ILE17 HG21    d: 4.95 +/- 0.18, weight: 0.4
      TRP21  HH2 -   ILE17 HG22
      TRP21  HH2 -   ILE17 HG23

ref_spec: weit, ref_peak: 91, id: 1057, d: 2.82, u: 2.85, u_viol: 0.07, %_viol: 10.0, viol: no, reliable: no, a_type: A
      TRP21  HD1 -   TRP21    H    d: 2.60 +/- 0.13, weight: 0.5

      TRP21  HD1 -   TRP21    H    d: 2.60 +/- 0.13, weight: 0.5

ref_spec: weit, ref_peak: 92, id: 1058, d: 4.50, u: 4.58, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   LYS45    H    d: 4.64 +/- 0.23, weight: 0.5

      TRP21  HZ3 -   LYS45    H    d: 4.63 +/- 0.23, weight: 0.5

ref_spec: weit, ref_peak: 93, id: 1059, d: 4.50, u: 4.38, u_viol: 0.12, %_viol: 75.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   PRO18  HD2    d: 4.51 +/- 0.33, weight: 0.5

      TRP21  HZ3 -   PRO18  HD2    d: 4.65 +/- 0.35, weight: 0.5

ref_spec: weit, ref_peak: 94, id: 1060, d: 4.71, u: 5.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   LEU36  HB2    d: 6.86 +/- 0.48, weight: 0.1

      TRP21  HZ3 -   LEU42   HG    d: 6.47 +/- 0.48, weight: 0.1

      TRP21  HZ3 -   LYS45  HB3    d: 6.09 +/- 0.61, weight: 0.2

      TRP21  HZ3 -   LEU42   HG    d: 6.47 +/- 0.48, weight: 0.1

      TRP21  HZ3 -   LYS45  HB3    d: 5.69 +/- 0.63, weight: 0.3

ref_spec: weit, ref_peak: 95, id: 1061, d: 5.54, u: 6.01, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   PRO18  HG3    d: 6.86 +/- 0.28, weight: 0.3

      TRP21  HZ3 -   PRO18  HB2    d: 7.51 +/- 0.44, weight: 0.1

      TRP21  HZ3 -   LYS45  HG2    d: 7.86 +/- 0.33, weight: 0.1
      TRP21  HZ3 -   LYS45  HG3

      TRP21  HZ3 -   LYS45  HG2    d: 7.86 +/- 0.33, weight: 0.1
      TRP21  HZ3 -   LYS45  HG3

      TRP21  HZ3 -   PRO18  HG3    d: 6.82 +/- 0.39, weight: 0.3

ref_spec: weit, ref_peak: 96, id: 1062, d: 4.22, u: 6.06, u_viol: 0.59, %_viol: 5.0, viol: no, reliable: no, a_type: A
       TYR5  HD1 -    PRO4  HB3    d: 4.78 +/- 1.40, weight: 0.5
       TYR5  HD2 -    PRO4  HB3

       TYR5  HD1 -    PRO4  HB3    d: 4.88 +/- 1.30, weight: 0.5
       TYR5  HD2 -    PRO4  HB3

ref_spec: weit, ref_peak: 97, id: 1063, d: 5.27, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HD2 -   GLN19 HE22    d: 5.86 +/- 0.31, weight: 0.4

      HIS22  HD2 -   GLN19 HE22    d: 5.83 +/- 0.26, weight: 0.4

      HIS22  HD2 -   ARG24    H    d: 7.24 +/- 0.34, weight: 0.1

ref_spec: weit, ref_peak: 98, id: 1064, d: 4.40, u: 4.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HD2 -   TRP21  HE3    d: 5.83 +/- 0.51, weight: 0.4

      HIS22  HD2 -   TRP21  HE3    d: 5.83 +/- 0.51, weight: 0.4

ref_spec: weit, ref_peak: 99, id: 1065, d: 3.34, u: 9.76, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   LYS12   HA    d: 4.01 +/- 0.72, weight: 0.5
      TYR16  HD2 -   LYS12   HA

      TYR16  HD1 -   LYS12   HA    d: 4.01 +/- 0.72, weight: 0.5
      TYR16  HD2 -   LYS12   HA

ref_spec: weit, ref_peak: 100, id: 1066, d: 5.57, u: 5.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   VAL15   HB    d: 6.96 +/- 0.66, weight: 0.3
      TYR16  HD2 -   VAL15   HB

      TYR16  HD1 -   ILE17   HB    d: 7.56 +/- 0.34, weight: 0.2
      TYR16  HD2 -   ILE17   HB

      TYR16  HD1 -   VAL15   HB    d: 6.96 +/- 0.66, weight: 0.3
      TYR16  HD2 -   VAL15   HB

      TYR16  HD1 -   ILE17   HB    d: 7.56 +/- 0.34, weight: 0.2
      TYR16  HD2 -   ILE17   HB

ref_spec: weit, ref_peak: 101, id: 1067, d: 1.54, u: 2.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ASN9 HD21 -    ASN9 HD22    d: 1.73 +/- 0.00, weight: 0.5

       ASN9 HD21 -    ASN9 HD22    d: 1.73 +/- 0.00, weight: 0.5

ref_spec: weit, ref_peak: 102, id: 1068, d: 5.03, u: 4.77, u_viol: 0.42, %_viol: 75.0, viol: no, reliable: no, a_type: A
      TYR47  HD1 -   HIS51  HB3    d: 4.42 +/- 0.40, weight: 0.5
      TYR47  HD2 -   HIS51  HB3

      TYR47  HD1 -   HIS51  HB3    d: 4.42 +/- 0.40, weight: 0.5
      TYR47  HD2 -   HIS51  HB3

ref_spec: weit, ref_peak: 103, id: 1069, d: 3.16, u: 4.23, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HD1 -   GLU46  HG3    d: 3.72 +/- 0.52, weight: 0.5
      TYR47  HD2 -   GLU46  HG3

      TYR47  HD1 -   GLU46  HG3    d: 3.80 +/- 0.75, weight: 0.4
      TYR47  HD2 -   GLU46  HG3

ref_spec: weit, ref_peak: 104, id: 1070, d: 5.23, u: 5.50, u_viol: 0.31, %_viol: 40.0, viol: no, reliable: no, a_type: A
      GLN19 HE21 -    LYS6  HD2    d: 5.75 +/- 1.06, weight: 0.5
      GLN19 HE21 -    LYS6  HD3

      GLN19 HE21 -    LYS6  HD2    d: 5.77 +/- 1.00, weight: 0.5
      GLN19 HE21 -    LYS6  HD3

ref_spec: weit, ref_peak: 105, id: 1071, d: 5.58, u: 6.01, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19 HE21 -    LYS6  HG2    d: 6.76 +/- 1.32, weight: 0.3

      GLN19 HE21 -    LYS6  HG2    d: 6.73 +/- 1.31, weight: 0.3

      GLN19 HE21 -   PRO18  HB2    d: 7.45 +/- 0.49, weight: 0.2

      GLN19 HE21 -   PRO18  HB2    d: 7.26 +/- 0.42, weight: 0.2

ref_spec: weit, ref_peak: 106, id: 1072, d: 3.44, u: 8.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HE1 -   LYS12   HA    d: 4.52 +/- 0.80, weight: 0.5
      TYR16  HE2 -   LYS12   HA

      TYR16  HE1 -   LYS12   HA    d: 4.52 +/- 0.80, weight: 0.5
      TYR16  HE2 -   LYS12   HA

ref_spec: weit, ref_peak: 107, id: 1073, d: 4.68, u: 4.99, u_viol: 0.41, %_viol: 15.0, viol: no, reliable: no, a_type: A
      TYR16  HE1 -   LYS12  HE2    d: 4.95 +/- 1.20, weight: 0.5
      TYR16  HE1 -   LYS12  HE3
      TYR16  HE2 -   LYS12  HE2
      TYR16  HE2 -   LYS12  HE3

      TYR16  HE1 -   LYS12  HE2    d: 4.95 +/- 1.20, weight: 0.5
      TYR16  HE1 -   LYS12  HE3
      TYR16  HE2 -   LYS12  HE2
      TYR16  HE2 -   LYS12  HE3

ref_spec: weit, ref_peak: 108, id: 1074, d: 5.60, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HE1 -   ALA43    H    d: 5.88 +/- 0.27, weight: 0.5
      TYR47  HE2 -   ALA43    H

      TYR47  HE1 -   ALA43    H    d: 5.88 +/- 0.26, weight: 0.5
      TYR47  HE2 -   ALA43    H

ref_spec: weit, ref_peak: 109, id: 1075, d: 2.56, u: 6.92, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR35   HA -   THR35 HG21    d: 2.88 +/- 0.20, weight: 0.5
      THR35   HA -   THR35 HG22
      THR35   HA -   THR35 HG23

      THR35   HA -   THR35 HG21    d: 2.88 +/- 0.20, weight: 0.5
      THR35   HA -   THR35 HG22
      THR35   HA -   THR35 HG23

ref_spec: weit, ref_peak: 110, id: 1076, d: 2.51, u: 5.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38   HA -   ASP38    H    d: 2.81 +/- 0.01, weight: 0.5

      ASP38   HA -   ASP38    H    d: 2.81 +/- 0.01, weight: 0.5

ref_spec: weit, ref_peak: 111, id: 1077, d: 3.54, u: 6.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32   HA -   LEU34    H    d: 4.55 +/- 0.05, weight: 0.2

      TYR47   HA -   ASP49    H    d: 4.19 +/- 0.10, weight: 0.3

      TYR47   HA -   ASP49    H    d: 4.19 +/- 0.10, weight: 0.3

ref_spec: weit, ref_peak: 112, id: 1078, d: 2.94, u: 4.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32   HA -   ASN33    H    d: 3.28 +/- 0.01, weight: 0.5

      LYS32   HA -   ASN33    H    d: 3.28 +/- 0.01, weight: 0.5

ref_spec: weit, ref_peak: 113, id: 1079, d: 4.19, u: 7.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47   HA -   HIS51    H    d: 4.87 +/- 0.19, weight: 0.4

      TYR47   HA -   HIS51    H    d: 4.87 +/- 0.19, weight: 0.4

ref_spec: weit, ref_peak: 114, id: 1080, d: 4.04, u: 6.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32   HA -   ASN33  HB2    d: 4.89 +/- 0.48, weight: 0.5

      LYS32   HA -   ASN33  HB2    d: 4.89 +/- 0.48, weight: 0.5

ref_spec: weit, ref_peak: 115, id: 1081, d: 4.34, u: 5.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32   HA -   GLU31  HB2    d: 4.94 +/- 0.58, weight: 0.5

      LYS32   HA -   GLU31  HB2    d: 5.04 +/- 0.61, weight: 0.5

ref_spec: weit, ref_peak: 116, id: 1082, d: 2.21, u: 3.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54   HA -   LYS55    H    d: 3.29 +/- 0.39, weight: 0.5

      GLN54   HA -   LYS55    H    d: 3.29 +/- 0.39, weight: 0.5

ref_spec: weit, ref_peak: 117, id: 1083, d: 2.25, u: 3.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54   HA -   GLN54  HB3    d: 2.65 +/- 0.26, weight: 0.5

      GLN54   HA -   GLN54  HB3    d: 2.71 +/- 0.27, weight: 0.5

ref_spec: weit, ref_peak: 118, id: 1084, d: 4.55, u: 6.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20   HA -   PRO18  HB2    d: 5.03 +/- 0.48, weight: 0.5

      GLU20   HA -   PRO18  HB2    d: 5.46 +/- 0.38, weight: 0.3

ref_spec: weit, ref_peak: 119, id: 1085, d: 2.59, u: 3.76, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LEU7   HA -    LEU8    H    d: 2.86 +/- 0.52, weight: 0.5

       LEU7   HA -    LEU8    H    d: 2.86 +/- 0.52, weight: 0.5

ref_spec: weit, ref_peak: 120, id: 1086, d: 2.40, u: 3.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24   HA -   ARG24  HG2    d: 2.75 +/- 0.30, weight: 0.5
      ARG24   HA -   ARG24  HG3

      ARG24   HA -   ARG24  HG2    d: 2.75 +/- 0.30, weight: 0.5
      ARG24   HA -   ARG24  HG3

ref_spec: weit, ref_peak: 121, id: 1087, d: 5.18, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      SER37   HA -   ASP38  HB2    d: 5.53 +/- 0.02, weight: 0.5

      SER37   HA -   ASP38  HB2    d: 5.53 +/- 0.02, weight: 0.5

ref_spec: weit, ref_peak: 122, id: 1088, d: 2.98, u: 3.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31   HA -   LYS32    H    d: 3.52 +/- 0.01, weight: 0.4

      GLU31   HA -   LYS32    H    d: 3.52 +/- 0.01, weight: 0.4

      SER37   HA -   VAL39    H    d: 4.71 +/- 0.15, weight: 0.1

ref_spec: weit, ref_peak: 123, id: 1089, d: 2.75, u: 5.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41   HA -   TRP21  HH2    d: 3.15 +/- 0.31, weight: 0.5

      ARG41   HA -   TRP21  HH2    d: 3.15 +/- 0.30, weight: 0.5

ref_spec: weit, ref_peak: 124, id: 1090, d: 3.18, u: 5.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25   HA -   MET26    H    d: 3.62 +/- 0.00, weight: 0.5

      LEU25   HA -   MET26    H    d: 3.62 +/- 0.00, weight: 0.5

ref_spec: weit, ref_peak: 125, id: 1091, d: 5.34, u: 10.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25   HA -   ILE28   HA    d: 5.86 +/- 0.09, weight: 0.5

      LEU25   HA -   ILE28   HA    d: 5.86 +/- 0.09, weight: 0.5

ref_spec: weit, ref_peak: 126, id: 1092, d: 2.81, u: 4.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25   HA -   ILE28 HG12    d: 2.93 +/- 0.60, weight: 0.4

      LEU25   HA -   LEU25   HG    d: 3.64 +/- 0.13, weight: 0.1

      LEU25   HA -   ILE28 HG12    d: 2.93 +/- 0.55, weight: 0.4

ref_spec: weit, ref_peak: 127, id: 1093, d: 3.37, u: 5.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22   HA -   LEU25    H    d: 4.80 +/- 0.08, weight: 0.5

      HIS22   HA -   LEU25    H    d: 4.80 +/- 0.08, weight: 0.5

ref_spec: weit, ref_peak: 128, id: 1094, d: 2.52, u: 5.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22   HA -   LEU25  HB2    d: 4.97 +/- 0.13, weight: 0.5

      HIS22   HA -   LEU25  HB2    d: 4.92 +/- 0.30, weight: 0.5

ref_spec: weit, ref_peak: 129, id: 1095, d: 4.46, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43   HA -   LEU42    H    d: 5.12 +/- 0.04, weight: 0.5

      ALA43   HA -   LEU42    H    d: 5.11 +/- 0.04, weight: 0.5

ref_spec: weit, ref_peak: 130, id: 1096, d: 3.27, u: 5.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HD2 -    ARG3    H    d: 3.93 +/- 0.53, weight: 0.4

       PRO4  HD2 -    ARG3    H    d: 3.61 +/- 0.72, weight: 0.6

ref_spec: weit, ref_peak: 131, id: 1097, d: 3.69, u: 4.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10  HA2 -   ILE11   HB    d: 4.69 +/- 0.21, weight: 0.2

      ALA29   HA -   LYS32  HD2    d: 4.63 +/- 0.57, weight: 0.2
      ALA29   HA -   LYS32  HD3

      GLY10  HA2 -   ILE11   HB    d: 4.69 +/- 0.19, weight: 0.2

      ALA29   HA -   LYS32  HD2    d: 4.63 +/- 0.57, weight: 0.2
      ALA29   HA -   LYS32  HD3

ref_spec: weit, ref_peak: 132, id: 1098, d: 3.16, u: 3.25, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29   HA -   LYS32  HB3    d: 3.82 +/- 0.75, weight: 0.5

      ALA29   HA -   LYS32  HB3    d: 3.97 +/- 0.72, weight: 0.4

ref_spec: weit, ref_peak: 133, id: 1099, d: 9.96, u: 10.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HA -   ASN50  HB3    d: 14.75 +/- 0.82, weight: 0.1

      VAL39   HA -   ASN50  HB3    d: 12.23 +/- 0.76, weight: 0.4

      VAL39   HA -   ASN50  HB3    d: 12.15 +/- 0.74, weight: 0.4

ref_spec: weit, ref_peak: 134, id: 1100, d: 2.56, u: 3.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24  HD3 -   ARG24  HB2    d: 2.84 +/- 0.28, weight: 0.6
      ARG24  HD3 -   ARG24  HB3

      ARG24  HD3 -   ARG24  HB2    d: 2.97 +/- 0.26, weight: 0.4
      ARG24  HD3 -   ARG24  HB3

ref_spec: weit, ref_peak: 135, id: 1101, d: 3.25, u: 4.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38  HB3 -   LEU34  HB2    d: 2.89 +/- 0.69, weight: 0.8

      ASP38  HB3 -   LEU34  HB2    d: 3.61 +/- 0.65, weight: 0.2

ref_spec: weit, ref_peak: 136, id: 1102, d: 3.38, u: 4.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HB2 -   PRO18  HD2    d: 5.39 +/- 1.18, weight: 0.3

      TRP21  HB2 -   PRO18  HD2    d: 4.73 +/- 1.17, weight: 0.7

ref_spec: weit, ref_peak: 137, id: 1103, d: 3.97, u: 5.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HB2 -   LEU25  HB2    d: 2.71 +/- 0.75, weight: 0.6

      TRP21  HB2 -   LEU25  HB2    d: 2.87 +/- 0.75, weight: 0.4

ref_spec: weit, ref_peak: 138, id: 1104, d: 3.16, u: 3.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB2 -   ILE44 HG21    d: 3.60 +/- 0.36, weight: 0.4
      TYR47  HB2 -   ILE44 HG22
      TYR47  HB2 -   ILE44 HG23

      TYR47  HB2 -   ILE44 HG21    d: 3.38 +/- 0.28, weight: 0.6
      TYR47  HB2 -   ILE44 HG22
      TYR47  HB2 -   ILE44 HG23

ref_spec: weit, ref_peak: 139, id: 1105, d: 2.94, u: 2.90, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45   HA -   LEU48   HG    d: 3.31 +/- 0.02, weight: 0.5

      LYS45   HA -   LEU48   HG    d: 3.31 +/- 0.02, weight: 0.5

ref_spec: weit, ref_peak: 140, id: 1106, d: 2.61, u: 3.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45   HA -   LYS45  HB2    d: 2.87 +/- 0.25, weight: 0.4

      LYS45   HA -   LYS45  HB2    d: 2.67 +/- 0.27, weight: 0.6

ref_spec: weit, ref_peak: 141, id: 1107, d: 5.47, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS12  HE2 -   TYR16    H    d: 4.92 +/- 0.28, weight: 0.5
      LYS12  HE3 -   TYR16    H

      LYS12  HE2 -   TYR16    H    d: 4.92 +/- 0.28, weight: 0.5
      LYS12  HE3 -   TYR16    H

ref_spec: weit, ref_peak: 142, id: 1108, d: 2.42, u: 3.85, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP52  HB2 -   ASP52   HA    d: 2.77 +/- 0.14, weight: 0.5

      ASP52  HB2 -   ASP52   HA    d: 2.77 +/- 0.14, weight: 0.5

ref_spec: weit, ref_peak: 143, id: 1109, d: 2.36, u: 3.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ASN9  HB2 -    ASN9   HA    d: 2.63 +/- 0.09, weight: 0.5
       ASN9  HB3 -    ASN9   HA

       ASN9  HB2 -    ASN9   HA    d: 2.63 +/- 0.09, weight: 0.5
       ASN9  HB3 -    ASN9   HA

ref_spec: weit, ref_peak: 144, id: 1110, d: 2.57, u: 3.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ASN9  HB2 -   PRO18   HA    d: 3.32 +/- 0.38, weight: 0.2
       ASN9  HB3 -   PRO18   HA

      ASP38  HB2 -   ASP38   HA    d: 2.95 +/- 0.01, weight: 0.3

      ASP38  HB2 -   ASP38   HA    d: 2.95 +/- 0.01, weight: 0.3

ref_spec: weit, ref_peak: 145, id: 1111, d: 4.76, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP52  HB2 -   HIS51  HB2    d: 2.96 +/- 0.33, weight: 0.5

      ASP52  HB2 -   HIS51  HB2    d: 2.96 +/- 0.37, weight: 0.5

ref_spec: weit, ref_peak: 146, id: 1112, d: 5.44, u: 6.00, u_viol: 0.25, %_viol: 35.0, viol: no, reliable: no, a_type: A
      ASP52  HB2 -   GLN54  HG2    d: 5.28 +/- 0.32, weight: 0.5
      ASP52  HB2 -   GLN54  HG3

      ASP52  HB2 -   GLN54  HG2    d: 5.28 +/- 0.32, weight: 0.5
      ASP52  HB2 -   GLN54  HG3

ref_spec: weit, ref_peak: 147, id: 1113, d: 2.90, u: 4.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38  HB2 -   LEU34  HB2    d: 3.77 +/- 0.59, weight: 0.2

      ASP38  HB2 -   LEU34  HB2    d: 3.14 +/- 0.59, weight: 0.6

ref_spec: weit, ref_peak: 148, id: 1114, d: 7.11, u: 7.22, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB2 -   TRP21  HZ2    d: 9.89 +/- 0.62, weight: 0.1

      TYR16  HB2 -   TRP21  HE3    d: 9.00 +/- 0.38, weight: 0.2

      TYR16  HB2 -    ASN9 HD22    d: 10.11 +/- 1.51, weight: 0.1

      TYR16  HB2 -   TRP21  HZ2    d: 9.99 +/- 0.60, weight: 0.1

      TYR16  HB2 -   TRP21  HE3    d: 9.07 +/- 0.37, weight: 0.2

ref_spec: weit, ref_peak: 149, id: 1115, d: 3.05, u: 3.27, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HG3 -   MET26    H    d: 2.09 +/- 0.37, weight: 0.6

      MET26  HG3 -   MET26    H    d: 2.23 +/- 0.55, weight: 0.4

ref_spec: weit, ref_peak: 150, id: 1116, d: 4.61, u: 5.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HG3 -   LEU25  HB3    d: 3.42 +/- 0.44, weight: 0.6

      MET26  HG3 -   LEU25  HB3    d: 3.57 +/- 0.59, weight: 0.4

ref_spec: weit, ref_peak: 151, id: 1117, d: 4.77, u: 5.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HG3 -   LEU25 HD11    d: 5.38 +/- 0.61, weight: 0.2
      MET26  HG3 -   LEU25 HD12
      MET26  HG3 -   LEU25 HD13

      MET26  HG3 -   LEU36 HD11    d: 5.51 +/- 0.55, weight: 0.2
      MET26  HG3 -   LEU36 HD12
      MET26  HG3 -   LEU36 HD13

      MET26  HG3 -   LEU25 HD11    d: 5.46 +/- 0.59, weight: 0.2
      MET26  HG3 -   LEU25 HD12
      MET26  HG3 -   LEU25 HD13

      MET26  HG3 -   LEU36 HD11    d: 5.45 +/- 0.55, weight: 0.2
      MET26  HG3 -   LEU36 HD12
      MET26  HG3 -   LEU36 HD13

ref_spec: weit, ref_peak: 152, id: 1118, d: 4.68, u: 6.03, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36   HG -   CYS40  HB2    d: 5.63 +/- 0.39, weight: 0.3

      CYS40  HB2 -   LEU13  HB2    d: 7.62 +/- 1.09, weight: 0.0

      GLU46  HG2 -   LYS45  HB2    d: 6.73 +/- 0.81, weight: 0.1

      CYS40  HB2 -   LEU13  HB2    d: 7.63 +/- 0.86, weight: 0.0

      LEU36   HG -   CYS40  HB2    d: 5.69 +/- 0.30, weight: 0.3

      GLU46  HG2 -   LYS45  HB2    d: 7.24 +/- 0.93, weight: 0.1

ref_spec: weit, ref_peak: 153, id: 1119, d: 5.71, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   LYS12  HE2    d: 9.33 +/- 1.80, weight: 0.1
      CYS40  HB2 -   LYS12  HE3

      CYS40  HB2 -   ASP38  HB2    d: 7.36 +/- 0.43, weight: 0.2

      ASN50  HB2 -   ASP52  HB2    d: 8.58 +/- 0.38, weight: 0.1

      CYS40  HB2 -   LYS12  HE2    d: 9.32 +/- 1.75, weight: 0.1
      CYS40  HB2 -   LYS12  HE3

      CYS40  HB2 -   ASP38  HB2    d: 7.32 +/- 0.44, weight: 0.3

      ASN50  HB2 -   ASP52  HB2    d: 8.62 +/- 0.32, weight: 0.1

ref_spec: weit, ref_peak: 154, id: 1120, d: 3.33, u: 3.30, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HG2 -   LEU25  HB3    d: 3.88 +/- 0.45, weight: 0.5

      MET26  HG2 -   LEU25  HB3    d: 3.76 +/- 0.44, weight: 0.5

ref_spec: weit, ref_peak: 155, id: 1121, d: 2.19, u: 2.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD2 -   PRO18  HG3    d: 2.77 +/- 0.32, weight: 0.3

      PRO18  HD2 -   PRO18  HG3    d: 2.56 +/- 0.31, weight: 0.5

ref_spec: weit, ref_peak: 156, id: 1122, d: 4.93, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20  HG2 -    ASN9  HB2    d: 4.40 +/- 0.63, weight: 0.4
      GLU20  HG2 -    ASN9  HB3
      GLU20  HG3 -    ASN9  HB2
      GLU20  HG3 -    ASN9  HB3

      GLU20  HG2 -    ASN9  HB2    d: 4.39 +/- 0.63, weight: 0.4
      GLU20  HG2 -    ASN9  HB3
      GLU20  HG3 -    ASN9  HB2
      GLU20  HG3 -    ASN9  HB3

ref_spec: weit, ref_peak: 157, id: 1123, d: 2.29, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27  HB2 -   GLU27  HG2    d: 2.59 +/- 0.07, weight: 0.5
      GLU27  HB2 -   GLU27  HG3

      GLU27  HB2 -   GLU27  HG2    d: 2.60 +/- 0.07, weight: 0.5
      GLU27  HB2 -   GLU27  HG3

ref_spec: weit, ref_peak: 158, id: 1124, d: 4.01, u: 6.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HB2 -   ASN50 HD21    d: 5.08 +/- 0.69, weight: 0.3
      GLU46  HB3 -   ASN50 HD21

      GLU46  HB2 -   ASN50 HD21    d: 5.64 +/- 0.95, weight: 0.2
      GLU46  HB3 -   ASN50 HD21

      GLU46  HB2 -   ASN50 HD21    d: 5.24 +/- 0.84, weight: 0.3
      GLU46  HB3 -   ASN50 HD21

ref_spec: weit, ref_peak: 159, id: 1125, d: 3.59, u: 5.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HB -   ILE44 HD11    d: 4.00 +/- 0.26, weight: 0.4
      VAL39   HB -   ILE44 HD12
      VAL39   HB -   ILE44 HD13

      VAL39   HB -   ILE44 HD11    d: 4.00 +/- 0.26, weight: 0.4
      VAL39   HB -   ILE44 HD12
      VAL39   HB -   ILE44 HD13

ref_spec: weit, ref_peak: 160, id: 1126, d: 4.59, u: 5.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HB2 -   LEU25  HB2    d: 6.13 +/- 0.12, weight: 0.3

      GLU20  HB2 -   LEU25  HB2    d: 6.50 +/- 0.32, weight: 0.2
      GLU20  HB3 -   LEU25  HB2

      MET26  HB2 -   LEU25  HB2    d: 6.11 +/- 0.20, weight: 0.3

ref_spec: weit, ref_peak: 161, id: 1127, d: 3.71, u: 3.70, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15   HB -   LEU13    H    d: 4.40 +/- 0.64, weight: 0.3

      ILE17   HB -   ILE11    H    d: 5.25 +/- 0.16, weight: 0.1

      VAL15   HB -   LEU13    H    d: 4.40 +/- 0.64, weight: 0.3

      ILE17   HB -   ILE11    H    d: 5.25 +/- 0.16, weight: 0.1

ref_spec: weit, ref_peak: 162, id: 1128, d: 3.26, u: 3.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15   HB -   TYR16    H    d: 3.67 +/- 0.36, weight: 0.5

      VAL15   HB -   TYR16    H    d: 3.67 +/- 0.36, weight: 0.5

ref_spec: weit, ref_peak: 163, id: 1129, d: 5.37, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15   HB -   LEU13   HA    d: 6.30 +/- 0.57, weight: 0.3

      VAL15   HB -   LEU13   HA    d: 6.30 +/- 0.56, weight: 0.3

      VAL15   HB -   LEU13   HA    d: 7.62 +/- 0.60, weight: 0.1

ref_spec: weit, ref_peak: 164, id: 1130, d: 2.62, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17   HB -   ILE17 HD11    d: 3.04 +/- 0.05, weight: 0.5
      ILE17   HB -   ILE17 HD12
      ILE17   HB -   ILE17 HD13

      ILE17   HB -   ILE17 HD11    d: 3.04 +/- 0.05, weight: 0.5
      ILE17   HB -   ILE17 HD12
      ILE17   HB -   ILE17 HD13

ref_spec: weit, ref_peak: 165, id: 1131, d: 2.76, u: 3.22, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS55  HB3 -   LYS55    H    d: 3.27 +/- 0.51, weight: 0.5

      LYS55  HB3 -   LYS55    H    d: 3.35 +/- 0.51, weight: 0.4

ref_spec: weit, ref_peak: 166, id: 1132, d: 5.77, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36  HB2 -   MET26  HB2    d: 6.31 +/- 0.28, weight: 0.5

      LEU36  HB2 -   MET26  HB2    d: 6.43 +/- 0.43, weight: 0.5

ref_spec: weit, ref_peak: 167, id: 1133, d: 2.42, u: 2.39, u_viol: 0.03, %_viol: 20.0, viol: no, reliable: no, a_type: A
      LEU36  HB2 -   LEU36   HG    d: 2.61 +/- 0.16, weight: 0.5

      LEU36  HB2 -   LEU36   HG    d: 2.56 +/- 0.09, weight: 0.5

ref_spec: weit, ref_peak: 168, id: 1134, d: 2.69, u: 2.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HG -   LEU42  HB2    d: 2.70 +/- 0.25, weight: 0.6

      LEU42   HG -   LEU42  HB2    d: 2.81 +/- 0.25, weight: 0.4

ref_spec: weit, ref_peak: 169, id: 1135, d: 2.33, u: 3.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45  HB3 -   LYS45  HG2    d: 2.63 +/- 0.04, weight: 0.5
      LYS45  HB3 -   LYS45  HG3

      LYS45  HB3 -   LYS45  HG2    d: 2.59 +/- 0.08, weight: 0.5
      LYS45  HB3 -   LYS45  HG3

ref_spec: weit, ref_peak: 170, id: 1136, d: 2.42, u: 2.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36  HB2 -   LEU36 HD11    d: 2.76 +/- 0.23, weight: 0.4
      LEU36  HB2 -   LEU36 HD12
      LEU36  HB2 -   LEU36 HD13

      LEU36  HB2 -   LEU36 HD11    d: 2.70 +/- 0.15, weight: 0.5
      LEU36  HB2 -   LEU36 HD12
      LEU36  HB2 -   LEU36 HD13

ref_spec: weit, ref_peak: 171, id: 1137, d: 2.32, u: 3.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41  HB2 -   ARG41    H    d: 2.91 +/- 0.57, weight: 0.3

      ARG41  HB2 -   ARG41    H    d: 2.82 +/- 0.52, weight: 0.4

      LYS55  HB2 -   LYS55    H    d: 3.35 +/- 0.60, weight: 0.1

ref_spec: weit, ref_peak: 172, id: 1138, d: 4.56, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6  HB2 -    ASN9  HB2    d: 6.93 +/- 1.65, weight: 0.1
       LYS6  HB2 -    ASN9  HB3
       LYS6  HB3 -    ASN9  HB2
       LYS6  HB3 -    ASN9  HB3

      LEU34   HG -   ASP38  HB2    d: 5.81 +/- 0.06, weight: 0.4

      LEU34   HG -   ASP38  HB2    d: 5.81 +/- 0.06, weight: 0.4

ref_spec: weit, ref_peak: 173, id: 1139, d: 7.11, u: 11.40, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34   HG -   GLU31  HB3    d: 7.12 +/- 0.59, weight: 0.4

      LEU34   HG -   GLU31  HB3    d: 7.13 +/- 0.64, weight: 0.4

ref_spec: weit, ref_peak: 174, id: 1140, d: 6.41, u: 11.40, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6  HB2 -   GLU20  HG2    d: 6.78 +/- 1.53, weight: 0.3
       LYS6  HB2 -   GLU20  HG3
       LYS6  HB3 -   GLU20  HG2
       LYS6  HB3 -   GLU20  HG3

      LEU34   HG -   GLU31  HB2    d: 7.48 +/- 0.68, weight: 0.2

       LYS6  HB2 -   GLU20  HG2    d: 6.78 +/- 1.53, weight: 0.3
       LYS6  HB2 -   GLU20  HG3
       LYS6  HB3 -   GLU20  HG2
       LYS6  HB3 -   GLU20  HG3

      LEU34   HG -   GLU31  HB2    d: 7.47 +/- 0.63, weight: 0.2

ref_spec: weit, ref_peak: 176, id: 1142, d: 4.02, u: 4.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS55  HD2 -   LYS55    H    d: 4.72 +/- 0.48, weight: 0.5
      LYS55  HD3 -   LYS55    H

      LYS55  HD2 -   LYS55    H    d: 4.72 +/- 0.48, weight: 0.5
      LYS55  HD3 -   LYS55    H

ref_spec: weit, ref_peak: 177, id: 1143, d: 1.57, u: 2.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45  HB2 -   LYS45  HB3    d: 1.76 +/- 0.00, weight: 0.5

      LYS45  HB2 -   LYS45  HB3    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: weit, ref_peak: 178, id: 1144, d: 5.49, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45  HB2 -   ALA43  HB1    d: 7.41 +/- 0.17, weight: 0.2
      LYS45  HB2 -   ALA43  HB2
      LYS45  HB2 -   ALA43  HB3

      LYS45  HB2 -   ALA43  HB1    d: 7.17 +/- 0.36, weight: 0.2
      LYS45  HB2 -   ALA43  HB2
      LYS45  HB2 -   ALA43  HB3

      LYS45  HB2 -   ALA43  HB1    d: 6.90 +/- 0.34, weight: 0.3
      LYS45  HB2 -   ALA43  HB2
      LYS45  HB2 -   ALA43  HB3

      LYS45  HB2 -   ALA43  HB1    d: 7.28 +/- 0.17, weight: 0.2
      LYS45  HB2 -   ALA43  HB2
      LYS45  HB2 -   ALA43  HB3

ref_spec: weit, ref_peak: 179, id: 1145, d: 2.21, u: 3.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LEU8  HB2 -    LEU8   HA    d: 2.66 +/- 0.05, weight: 0.3
       LEU8  HB3 -    LEU8   HA

       LEU8   HG -    LEU8   HA    d: 3.05 +/- 0.22, weight: 0.1

       LEU8  HB2 -    LEU8   HA    d: 2.66 +/- 0.05, weight: 0.3
       LEU8  HB3 -    LEU8   HA

ref_spec: weit, ref_peak: 180, id: 1146, d: 4.41, u: 4.93, u_viol: 0.13, %_viol: 10.0, viol: no, reliable: no, a_type: A
       LEU8  HB2 -    ASN9  HB2    d: 5.99 +/- 0.59, weight: 0.2
       LEU8  HB2 -    ASN9  HB3
       LEU8  HB3 -    ASN9  HB2
       LEU8  HB3 -    ASN9  HB3

       LEU8   HG -    ASN9  HB2    d: 7.19 +/- 0.81, weight: 0.1
       LEU8   HG -    ASN9  HB3

      LEU36   HG -   ASP38  HB2    d: 6.43 +/- 0.13, weight: 0.1

       LEU8  HB2 -    ASN9  HB2    d: 5.99 +/- 0.59, weight: 0.2
       LEU8  HB2 -    ASN9  HB3
       LEU8  HB3 -    ASN9  HB2
       LEU8  HB3 -    ASN9  HB3

       LEU8   HG -    ASN9  HB2    d: 7.19 +/- 0.81, weight: 0.1
       LEU8   HG -    ASN9  HB3

      LEU36   HG -   ASP38  HB2    d: 6.43 +/- 0.13, weight: 0.1

ref_spec: weit, ref_peak: 181, id: 1147, d: 3.16, u: 5.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HB2 -   ALA29   HA    d: 4.04 +/- 0.74, weight: 0.4

      LYS32  HB2 -   ALA29   HA    d: 3.89 +/- 0.78, weight: 0.5

ref_spec: weit, ref_peak: 182, id: 1148, d: 4.26, u: 5.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HG2 -   GLU31  HB2    d: 5.43 +/- 0.75, weight: 0.3
      LYS32  HG3 -   GLU31  HB2

      LYS32  HB2 -   GLU31  HB2    d: 5.87 +/- 0.87, weight: 0.2

      LYS32  HG2 -   GLU31  HB2    d: 5.53 +/- 0.84, weight: 0.3
      LYS32  HG3 -   GLU31  HB2

      LYS32  HB2 -   GLU31  HB2    d: 5.75 +/- 0.94, weight: 0.2

ref_spec: weit, ref_peak: 183, id: 1149, d: 3.13, u: 3.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34  HB2 -   ALA29   HA    d: 3.07 +/- 0.74, weight: 0.8

ref_spec: weit, ref_peak: 184, id: 1150, d: 1.56, u: 2.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34  HB2 -   LEU34  HB3    d: 1.76 +/- 0.00, weight: 0.5

      LEU34  HB2 -   LEU34  HB3    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: weit, ref_peak: 185, id: 1151, d: 5.33, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR35 HG21 -   LEU34    H    d: 6.27 +/- 0.18, weight: 0.5
      THR35 HG22 -   LEU34    H
      THR35 HG23 -   LEU34    H

      THR35 HG21 -   LEU34    H    d: 6.27 +/- 0.18, weight: 0.5
      THR35 HG22 -   LEU34    H
      THR35 HG23 -   LEU34    H

ref_spec: weit, ref_peak: 186, id: 1152, d: 5.81, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR35 HG21 -   LYS30    H    d: 9.03 +/- 0.25, weight: 0.1
      THR35 HG22 -   LYS30    H
      THR35 HG23 -   LYS30    H

      THR35 HG21 -   VAL39    H    d: 6.64 +/- 0.47, weight: 0.4
      THR35 HG22 -   VAL39    H
      THR35 HG23 -   VAL39    H

      THR35 HG21 -   VAL39    H    d: 6.64 +/- 0.47, weight: 0.4
      THR35 HG22 -   VAL39    H
      THR35 HG23 -   VAL39    H

ref_spec: weit, ref_peak: 187, id: 1153, d: 3.63, u: 3.88, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR35 HG21 -   LEU34   HA    d: 4.21 +/- 0.12, weight: 0.5
      THR35 HG22 -   LEU34   HA
      THR35 HG23 -   LEU34   HA

      THR35 HG21 -   LEU34   HA    d: 4.21 +/- 0.12, weight: 0.5
      THR35 HG22 -   LEU34   HA
      THR35 HG23 -   LEU34   HA

ref_spec: weit, ref_peak: 188, id: 1154, d: 2.28, u: 2.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR35 HG21 -   THR35   HB    d: 2.56 +/- 0.00, weight: 0.5
      THR35 HG22 -   THR35   HB
      THR35 HG23 -   THR35   HB

      THR35 HG21 -   THR35   HB    d: 2.56 +/- 0.00, weight: 0.5
      THR35 HG22 -   THR35   HB
      THR35 HG23 -   THR35   HB

ref_spec: weit, ref_peak: 189, id: 1155, d: 2.98, u: 4.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6  HG2 -    LYS6   HA    d: 3.55 +/- 0.45, weight: 0.5

       LYS6  HG2 -    LYS6   HA    d: 3.50 +/- 0.48, weight: 0.5

ref_spec: weit, ref_peak: 190, id: 1156, d: 2.52, u: 4.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HB2 -   GLU20    H    d: 2.79 +/- 0.34, weight: 0.6

      PRO18  HB2 -   GLU20    H    d: 3.05 +/- 0.27, weight: 0.4

ref_spec: weit, ref_peak: 191, id: 1157, d: 3.60, u: 4.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HG3 -   TRP21  HZ2    d: 5.15 +/- 0.43, weight: 0.1

      PRO18  HG3 -    ASN9 HD22    d: 5.71 +/- 1.30, weight: 0.1

      PRO18  HB2 -   TRP21  HZ2    d: 6.00 +/- 0.40, weight: 0.0

      PRO18  HB2 -    ASN9 HD22    d: 5.11 +/- 1.53, weight: 0.1

      PRO18  HG3 -    ASN9 HD22    d: 5.71 +/- 1.26, weight: 0.1

      PRO18  HG3 -   TRP21  HZ2    d: 5.13 +/- 0.53, weight: 0.1

      PRO18  HB2 -    ASN9 HD22    d: 4.47 +/- 1.29, weight: 0.3

ref_spec: weit, ref_peak: 192, id: 1158, d: 2.63, u: 3.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HB2 -   TRP21    H    d: 3.40 +/- 0.73, weight: 0.7

      PRO18  HB2 -   TRP21    H    d: 4.08 +/- 0.58, weight: 0.2

ref_spec: weit, ref_peak: 193, id: 1159, d: 2.15, u: 4.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HG3 -   PRO18   HA    d: 3.13 +/- 0.27, weight: 0.1

      PRO18  HB2 -   PRO18   HA    d: 2.69 +/- 0.32, weight: 0.3

      PRO18  HB2 -   PRO18   HA    d: 2.39 +/- 0.25, weight: 0.5

ref_spec: weit, ref_peak: 194, id: 1160, d: 2.59, u: 4.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6  HG2 -    LYS6  HE2    d: 2.98 +/- 0.37, weight: 0.5
       LYS6  HG2 -    LYS6  HE3

       LYS6  HG2 -    LYS6  HE2    d: 3.09 +/- 0.40, weight: 0.4
       LYS6  HG2 -    LYS6  HE3

ref_spec: weit, ref_peak: 195, id: 1161, d: 2.20, u: 4.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HG3 -   PRO18  HD3    d: 2.73 +/- 0.33, weight: 0.3

      PRO18  HG3 -   PRO18  HD3    d: 2.53 +/- 0.31, weight: 0.5

ref_spec: weit, ref_peak: 196, id: 1162, d: 2.60, u: 4.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HB2 -   GLN19    H    d: 3.39 +/- 0.18, weight: 0.4

      PRO18  HB2 -   GLN19    H    d: 3.25 +/- 0.15, weight: 0.5

ref_spec: weit, ref_peak: 197, id: 1163, d: 2.41, u: 3.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25  HB2 -   MET26    H    d: 3.50 +/- 0.08, weight: 0.5

      LEU25  HB2 -   MET26    H    d: 3.47 +/- 0.19, weight: 0.5

ref_spec: weit, ref_peak: 198, id: 1164, d: 5.67, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25  HB2 -   TRP21    H    d: 4.65 +/- 0.20, weight: 0.5

      LEU25  HB2 -   TRP21    H    d: 4.72 +/- 0.52, weight: 0.5

ref_spec: weit, ref_peak: 199, id: 1165, d: 2.90, u: 5.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HB2 -   TRP21  HD1    d: 3.91 +/- 0.77, weight: 0.6

      PRO18  HB2 -   TRP21  HD1    d: 4.65 +/- 0.73, weight: 0.2

ref_spec: weit, ref_peak: 200, id: 1166, d: 5.41, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25  HB2 -   ASP23   HA    d: 7.01 +/- 0.16, weight: 0.4

      LEU25  HB2 -   PRO18   HA    d: 8.75 +/- 0.17, weight: 0.1

      LEU25  HB2 -   ASP23   HA    d: 6.95 +/- 0.15, weight: 0.4

ref_spec: weit, ref_peak: 201, id: 1167, d: 4.99, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25  HB2 -   PRO18  HD2    d: 7.66 +/- 0.96, weight: 0.1

      LEU25  HB2 -   MET26  HB3    d: 6.88 +/- 0.21, weight: 0.2

      LEU25  HB2 -   PRO18  HD2    d: 7.08 +/- 0.92, weight: 0.2

      LEU25  HB2 -   MET26  HB3    d: 6.88 +/- 0.21, weight: 0.2

ref_spec: weit, ref_peak: 202, id: 1168, d: 2.79, u: 3.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25  HB2 -   LEU25 HD21    d: 2.97 +/- 0.23, weight: 0.5
      LEU25  HB2 -   LEU25 HD22
      LEU25  HB2 -   LEU25 HD23

      LEU25  HB2 -   LEU25 HD21    d: 2.93 +/- 0.14, weight: 0.5
      LEU25  HB2 -   LEU25 HD22
      LEU25  HB2 -   LEU25 HD23

ref_spec: weit, ref_peak: 203, id: 1169, d: 2.60, u: 3.28, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25  HB2 -   LEU25 HD11    d: 3.82 +/- 0.12, weight: 0.4
      LEU25  HB2 -   LEU25 HD12
      LEU25  HB2 -   LEU25 HD13

      LEU25  HB2 -   LEU25 HD11    d: 3.78 +/- 0.23, weight: 0.4
      LEU25  HB2 -   LEU25 HD12
      LEU25  HB2 -   LEU25 HD13

ref_spec: weit, ref_peak: 204, id: 1170, d: 4.29, u: 5.92, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43  HB1 -   CYS40  HB2    d: 6.27 +/- 0.36, weight: 0.1
      ALA43  HB2 -   CYS40  HB2
      ALA43  HB3 -   CYS40  HB2

      ALA43  HB1 -   CYS40  HB2    d: 5.34 +/- 0.25, weight: 0.2
      ALA43  HB2 -   CYS40  HB2
      ALA43  HB3 -   CYS40  HB2

      ILE17 HG21 -   CYS40  HB2    d: 6.18 +/- 0.45, weight: 0.1
      ILE17 HG22 -   CYS40  HB2
      ILE17 HG23 -   CYS40  HB2

      ILE17 HG21 -   CYS40  HB2    d: 5.73 +/- 0.49, weight: 0.1
      ILE17 HG22 -   CYS40  HB2
      ILE17 HG23 -   CYS40  HB2

      ALA43  HB1 -   CYS40  HB2    d: 5.34 +/- 0.23, weight: 0.2
      ALA43  HB2 -   CYS40  HB2
      ALA43  HB3 -   CYS40  HB2

      ALA43  HB1 -   GLU46  HG2    d: 6.35 +/- 0.47, weight: 0.1
      ALA43  HB2 -   GLU46  HG2
      ALA43  HB3 -   GLU46  HG2

      ALA43  HB1 -   CYS40  HB2    d: 6.23 +/- 0.39, weight: 0.1
      ALA43  HB2 -   CYS40  HB2
      ALA43  HB3 -   CYS40  HB2

      ILE17 HG21 -   CYS40  HB2    d: 5.80 +/- 0.57, weight: 0.1
      ILE17 HG22 -   CYS40  HB2
      ILE17 HG23 -   CYS40  HB2

      ILE17 HG21 -   CYS40  HB2    d: 6.22 +/- 0.44, weight: 0.1
      ILE17 HG22 -   CYS40  HB2
      ILE17 HG23 -   CYS40  HB2

ref_spec: weit, ref_peak: 205, id: 1171, d: 4.49, u: 5.01, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG21 -   LEU36    H    d: 5.23 +/- 0.17, weight: 0.5
      VAL39 HG22 -   LEU36    H
      VAL39 HG23 -   LEU36    H

      VAL39 HG21 -   LEU36    H    d: 5.23 +/- 0.17, weight: 0.5
      VAL39 HG22 -   LEU36    H
      VAL39 HG23 -   LEU36    H

ref_spec: weit, ref_peak: 206, id: 1172, d: 3.32, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD21 -   THR35    H    d: 4.36 +/- 0.05, weight: 0.5
      LEU34 HD22 -   THR35    H
      LEU34 HD23 -   THR35    H

      LEU34 HD21 -   THR35    H    d: 4.36 +/- 0.05, weight: 0.5
      LEU34 HD22 -   THR35    H
      LEU34 HD23 -   THR35    H

ref_spec: weit, ref_peak: 207, id: 1173, d: 3.22, u: 13.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD21 -   ASP38  HB2    d: 4.93 +/- 0.09, weight: 0.5
      LEU34 HD22 -   ASP38  HB2
      LEU34 HD23 -   ASP38  HB2

      LEU34 HD21 -   ASP38  HB2    d: 4.93 +/- 0.09, weight: 0.5
      LEU34 HD22 -   ASP38  HB2
      LEU34 HD23 -   ASP38  HB2

ref_spec: weit, ref_peak: 208, id: 1174, d: 4.08, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG21 -   ILE28   HB    d: 4.58 +/- 0.14, weight: 0.4
      VAL39 HG22 -   ILE28   HB
      VAL39 HG23 -   ILE28   HB

      VAL39 HG21 -   LEU36  HB3    d: 5.87 +/- 0.22, weight: 0.1
      VAL39 HG22 -   LEU36  HB3
      VAL39 HG23 -   LEU36  HB3

      VAL39 HG21 -   ILE28   HB    d: 4.58 +/- 0.14, weight: 0.4
      VAL39 HG22 -   ILE28   HB
      VAL39 HG23 -   ILE28   HB

      VAL39 HG21 -   LEU36  HB3    d: 5.88 +/- 0.20, weight: 0.1
      VAL39 HG22 -   LEU36  HB3
      VAL39 HG23 -   LEU36  HB3

ref_spec: weit, ref_peak: 209, id: 1175, d: 2.89, u: 4.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD21 -   ASP38  HB3    d: 4.06 +/- 0.13, weight: 0.5
      LEU34 HD22 -   ASP38  HB3
      LEU34 HD23 -   ASP38  HB3

      LEU34 HD21 -   ASP38  HB3    d: 4.06 +/- 0.13, weight: 0.5
      LEU34 HD22 -   ASP38  HB3
      LEU34 HD23 -   ASP38  HB3

ref_spec: weit, ref_peak: 210, id: 1176, d: 2.56, u: 4.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42 HD11 -   ASP38  HB3    d: 3.42 +/- 1.13, weight: 0.3
      LEU42 HD12 -   ASP38  HB3
      LEU42 HD13 -   ASP38  HB3

      ILE44 HG21 -   TYR47  HB3    d: 3.62 +/- 0.36, weight: 0.2
      ILE44 HG22 -   TYR47  HB3
      ILE44 HG23 -   TYR47  HB3

      LEU42 HD11 -   ASP38  HB3    d: 3.42 +/- 1.13, weight: 0.3
      LEU42 HD12 -   ASP38  HB3
      LEU42 HD13 -   ASP38  HB3

      ILE44 HG21 -   TYR47  HB3    d: 3.40 +/- 0.29, weight: 0.3
      ILE44 HG22 -   TYR47  HB3
      ILE44 HG23 -   TYR47  HB3

ref_spec: weit, ref_peak: 211, id: 1177, d: 3.07, u: 3.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25   HG -   TRP21  HB2    d: 3.38 +/- 0.81, weight: 0.4

      LEU25   HG -   TRP21  HB2    d: 3.15 +/- 0.80, weight: 0.6

ref_spec: weit, ref_peak: 212, id: 1178, d: 2.25, u: 2.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15 HG21 -   VAL15   HB    d: 2.55 +/- 0.00, weight: 0.5
      VAL15 HG22 -   VAL15   HB
      VAL15 HG23 -   VAL15   HB

      VAL15 HG21 -   VAL15   HB    d: 2.55 +/- 0.00, weight: 0.5
      VAL15 HG22 -   VAL15   HB
      VAL15 HG23 -   VAL15   HB

ref_spec: weit, ref_peak: 213, id: 1179, d: 4.93, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15 HG21 -   LEU13    H    d: 5.53 +/- 0.84, weight: 0.3
      VAL15 HG22 -   LEU13    H
      VAL15 HG23 -   LEU13    H

      VAL15 HG21 -   LEU13    H    d: 6.48 +/- 1.40, weight: 0.1
      VAL15 HG22 -   LEU13    H
      VAL15 HG23 -   LEU13    H

      VAL15 HG21 -   LEU13    H    d: 6.48 +/- 1.40, weight: 0.1
      VAL15 HG22 -   LEU13    H
      VAL15 HG23 -   LEU13    H

      VAL15 HG21 -   LEU13    H    d: 5.53 +/- 0.84, weight: 0.3
      VAL15 HG22 -   LEU13    H
      VAL15 HG23 -   LEU13    H

ref_spec: weit, ref_peak: 215, id: 1181, d: 3.48, u: 4.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15 HG21 -   GLY14  HA3    d: 4.67 +/- 0.93, weight: 0.4
      VAL15 HG22 -   GLY14  HA3
      VAL15 HG23 -   GLY14  HA3

      VAL15 HG21 -   GLY14  HA3    d: 4.67 +/- 0.90, weight: 0.4
      VAL15 HG22 -   GLY14  HA3
      VAL15 HG23 -   GLY14  HA3

      VAL15 HG21 -   GLY14  HA3    d: 5.74 +/- 1.17, weight: 0.1
      VAL15 HG22 -   GLY14  HA3
      VAL15 HG23 -   GLY14  HA3

ref_spec: weit, ref_peak: 216, id: 1182, d: 3.65, u: 13.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15 HG21 -   LYS12  HE2    d: 6.01 +/- 1.02, weight: 0.1
      VAL15 HG21 -   LYS12  HE3
      VAL15 HG22 -   LYS12  HE2
      VAL15 HG22 -   LYS12  HE3
      VAL15 HG23 -   LYS12  HE2
      VAL15 HG23 -   LYS12  HE3

      LEU42 HD11 -   ASP38  HB2    d: 5.15 +/- 1.11, weight: 0.3
      LEU42 HD12 -   ASP38  HB2
      LEU42 HD13 -   ASP38  HB2

      VAL15 HG21 -   LYS12  HE2    d: 6.01 +/- 1.02, weight: 0.1
      VAL15 HG21 -   LYS12  HE3
      VAL15 HG22 -   LYS12  HE2
      VAL15 HG22 -   LYS12  HE3
      VAL15 HG23 -   LYS12  HE2
      VAL15 HG23 -   LYS12  HE3

      LEU42 HD11 -   ASP38  HB2    d: 5.15 +/- 1.11, weight: 0.3
      LEU42 HD12 -   ASP38  HB2
      LEU42 HD13 -   ASP38  HB2

ref_spec: weit, ref_peak: 217, id: 1183, d: 4.79, u: 5.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13 HD21 -   GLY14  HA3    d: 7.15 +/- 0.19, weight: 0.1
      LEU13 HD22 -   GLY14  HA3
      LEU13 HD23 -   GLY14  HA3

      LEU13 HD21 -   GLY14  HA3    d: 6.88 +/- 0.30, weight: 0.1
      LEU13 HD22 -   GLY14  HA3
      LEU13 HD23 -   GLY14  HA3

      VAL15 HG11 -   GLY14  HA3    d: 6.02 +/- 0.96, weight: 0.2
      VAL15 HG12 -   GLY14  HA3
      VAL15 HG13 -   GLY14  HA3

      LEU13 HD21 -   GLY14  HA3    d: 6.90 +/- 0.35, weight: 0.1
      LEU13 HD22 -   GLY14  HA3
      LEU13 HD23 -   GLY14  HA3

      LEU13 HD21 -   GLY14  HA3    d: 7.13 +/- 0.17, weight: 0.1
      LEU13 HD22 -   GLY14  HA3
      LEU13 HD23 -   GLY14  HA3

      VAL15 HG11 -   GLY14  HA3    d: 6.04 +/- 0.92, weight: 0.2
      VAL15 HG12 -   GLY14  HA3
      VAL15 HG13 -   GLY14  HA3

ref_spec: weit, ref_peak: 218, id: 1184, d: 3.42, u: 4.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15 HG11 -   CYS40  HB2    d: 3.73 +/- 0.95, weight: 0.4
      VAL15 HG12 -   CYS40  HB2
      VAL15 HG13 -   CYS40  HB2

      VAL15 HG11 -   CYS40  HB2    d: 3.67 +/- 0.84, weight: 0.5
      VAL15 HG12 -   CYS40  HB2
      VAL15 HG13 -   CYS40  HB2

ref_spec: weit, ref_peak: 219, id: 1185, d: 2.25, u: 2.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15 HG11 -   VAL15   HB    d: 2.54 +/- 0.01, weight: 0.5
      VAL15 HG12 -   VAL15   HB
      VAL15 HG13 -   VAL15   HB

      VAL15 HG11 -   VAL15   HB    d: 2.54 +/- 0.01, weight: 0.5
      VAL15 HG12 -   VAL15   HB
      VAL15 HG13 -   VAL15   HB

ref_spec: weit, ref_peak: 220, id: 1186, d: 5.19, u: 6.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HD11 -   ARG41  HD2    d: 7.28 +/- 0.51, weight: 0.1
      ILE44 HD12 -   ARG41  HD2
      ILE44 HD13 -   ARG41  HD2

      ILE44 HD11 -   TYR47  HB3    d: 6.48 +/- 0.21, weight: 0.3
      ILE44 HD12 -   TYR47  HB3
      ILE44 HD13 -   TYR47  HB3

      ILE44 HD11 -   ARG41  HD2    d: 7.28 +/- 0.51, weight: 0.1
      ILE44 HD12 -   ARG41  HD2
      ILE44 HD13 -   ARG41  HD2

      ILE44 HD11 -   TYR47  HB3    d: 6.46 +/- 0.18, weight: 0.3
      ILE44 HD12 -   TYR47  HB3
      ILE44 HD13 -   TYR47  HB3

ref_spec: weit, ref_peak: 221, id: 1187, d: 2.52, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD11 -   LEU34  HB3    d: 2.81 +/- 0.03, weight: 0.5
      LEU34 HD12 -   LEU34  HB3
      LEU34 HD13 -   LEU34  HB3

      LEU34 HD11 -   LEU34  HB3    d: 2.84 +/- 0.03, weight: 0.5
      LEU34 HD12 -   LEU34  HB3
      LEU34 HD13 -   LEU34  HB3

ref_spec: weit, ref_peak: 222, id: 1188, d: 2.93, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28 HG21 -   ALA29    H    d: 4.76 +/- 0.13, weight: 0.2
      ILE28 HG22 -   ALA29    H
      ILE28 HG23 -   ALA29    H

      LEU25    H -   LEU25 HD21    d: 4.27 +/- 0.39, weight: 0.3
      LEU25    H -   LEU25 HD22
      LEU25    H -   LEU25 HD23

      ILE28 HG21 -   ALA29    H    d: 4.76 +/- 0.13, weight: 0.2
      ILE28 HG22 -   ALA29    H
      ILE28 HG23 -   ALA29    H

      LEU25    H -   LEU25 HD21    d: 4.27 +/- 0.39, weight: 0.3
      LEU25    H -   LEU25 HD22
      LEU25    H -   LEU25 HD23

ref_spec: weit, ref_peak: 223, id: 1189, d: 6.19, u: 6.00, u_viol: 0.51, %_viol: 50.0, viol: no, reliable: no, a_type: A
      LEU25 HD21 -   TYR47  HD1    d: 5.99 +/- 0.38, weight: 0.3
      LEU25 HD21 -   TYR47  HD2
      LEU25 HD22 -   TYR47  HD1
      LEU25 HD22 -   TYR47  HD2
      LEU25 HD23 -   TYR47  HD1
      LEU25 HD23 -   TYR47  HD2

      LEU25 HD21 -   TYR47  HD1    d: 5.99 +/- 0.38, weight: 0.3
      LEU25 HD21 -   TYR47  HD2
      LEU25 HD22 -   TYR47  HD1
      LEU25 HD22 -   TYR47  HD2
      LEU25 HD23 -   TYR47  HD1
      LEU25 HD23 -   TYR47  HD2

      ILE28 HG21 -   TYR47  HD1    d: 6.90 +/- 0.37, weight: 0.1
      ILE28 HG21 -   TYR47  HD2
      ILE28 HG22 -   TYR47  HD1
      ILE28 HG22 -   TYR47  HD2
      ILE28 HG23 -   TYR47  HD1
      ILE28 HG23 -   TYR47  HD2

ref_spec: weit, ref_peak: 224, id: 1190, d: 6.35, u: 7.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HD11 -   TRP21   HA    d: 6.93 +/- 0.33, weight: 0.4
      ILE44 HD12 -   TRP21   HA
      ILE44 HD13 -   TRP21   HA

      ILE44 HD11 -   TRP21   HA    d: 6.93 +/- 0.32, weight: 0.4
      ILE44 HD12 -   TRP21   HA
      ILE44 HD13 -   TRP21   HA

ref_spec: weit, ref_peak: 225, id: 1191, d: 4.74, u: 4.80, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HD11 -   ALA43    H    d: 6.12 +/- 0.29, weight: 0.2
      ILE44 HD12 -   ALA43    H
      ILE44 HD13 -   ALA43    H

      ILE44 HD11 -   ALA43    H    d: 5.79 +/- 0.23, weight: 0.3
      ILE44 HD12 -   ALA43    H
      ILE44 HD13 -   ALA43    H

      ILE44 HD11 -   ALA43    H    d: 5.79 +/- 0.23, weight: 0.3
      ILE44 HD12 -   ALA43    H
      ILE44 HD13 -   ALA43    H

      ILE44 HD11 -   ALA43    H    d: 6.13 +/- 0.29, weight: 0.2
      ILE44 HD12 -   ALA43    H
      ILE44 HD13 -   ALA43    H

ref_spec: weit, ref_peak: 226, id: 1192, d: 2.70, u: 3.60, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LEU7 HD21 -    LEU7   HA    d: 3.22 +/- 0.96, weight: 0.4
       LEU7 HD22 -    LEU7   HA
       LEU7 HD23 -    LEU7   HA

       LEU7 HD21 -    LEU7   HA    d: 3.22 +/- 0.96, weight: 0.4
       LEU7 HD22 -    LEU7   HA
       LEU7 HD23 -    LEU7   HA

ref_spec: weit, ref_peak: 227, id: 1193, d: 2.51, u: 3.09, u_viol: 0.17, %_viol: 20.0, viol: no, reliable: no, a_type: A
      ILE44 HD11 -   ARG41   HA    d: 2.99 +/- 0.39, weight: 0.5
      ILE44 HD12 -   ARG41   HA
      ILE44 HD13 -   ARG41   HA

      ILE44 HD11 -   ARG41   HA    d: 2.99 +/- 0.39, weight: 0.5
      ILE44 HD12 -   ARG41   HA
      ILE44 HD13 -   ARG41   HA

ref_spec: weit, ref_peak: 228, id: 1194, d: 2.61, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25 HD11 -   LEU25  HB3    d: 2.82 +/- 0.22, weight: 0.5
      LEU25 HD12 -   LEU25  HB3
      LEU25 HD13 -   LEU25  HB3

      LEU25 HD11 -   LEU25  HB3    d: 2.78 +/- 0.04, weight: 0.5
      LEU25 HD12 -   LEU25  HB3
      LEU25 HD13 -   LEU25  HB3

ref_spec: weit, ref_peak: 229, id: 1195, d: 1.91, u: 3.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36 HD11 -   LEU36   HG    d: 2.56 +/- 0.00, weight: 0.2
      LEU36 HD12 -   LEU36   HG
      LEU36 HD13 -   LEU36   HG

      ILE28 HD11 -   ILE28 HG13    d: 2.55 +/- 0.00, weight: 0.2
      ILE28 HD12 -   ILE28 HG13
      ILE28 HD13 -   ILE28 HG13

      LEU36 HD11 -   LEU36   HG    d: 2.56 +/- 0.00, weight: 0.2
      LEU36 HD12 -   LEU36   HG
      LEU36 HD13 -   LEU36   HG

      ILE28 HD11 -   ILE28 HG13    d: 2.55 +/- 0.00, weight: 0.2
      ILE28 HD12 -   ILE28 HG13
      ILE28 HD13 -   ILE28 HG13

ref_spec: weit, ref_peak: 230, id: 1196, d: 5.35, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25 HD11 -   ASP23   HA    d: 9.22 +/- 0.10, weight: 0.0
      LEU25 HD12 -   ASP23   HA
      LEU25 HD13 -   ASP23   HA

      LEU25 HD11 -   ASP38   HA    d: 8.84 +/- 0.31, weight: 0.1
      LEU25 HD12 -   ASP38   HA
      LEU25 HD13 -   ASP38   HA

      ILE28 HD11 -   ASP23   HA    d: 9.69 +/- 0.23, weight: 0.0
      ILE28 HD12 -   ASP23   HA
      ILE28 HD13 -   ASP23   HA

      LEU36 HD11 -   VAL15   HA    d: 8.95 +/- 0.33, weight: 0.1
      LEU36 HD12 -   VAL15   HA
      LEU36 HD13 -   VAL15   HA

      LEU36 HD11 -   PRO18   HA    d: 9.47 +/- 0.56, weight: 0.0
      LEU36 HD12 -   PRO18   HA
      LEU36 HD13 -   PRO18   HA

      LEU36 HD11 -   ASP23   HA    d: 9.99 +/- 0.60, weight: 0.0
      LEU36 HD12 -   ASP23   HA
      LEU36 HD13 -   ASP23   HA

      LEU36 HD11 -   ASP38   HA    d: 9.33 +/- 0.37, weight: 0.0
      LEU36 HD12 -   ASP38   HA
      LEU36 HD13 -   ASP38   HA

      LEU36 HD11 -   VAL15   HA    d: 7.78 +/- 0.89, weight: 0.1
      LEU36 HD12 -   VAL15   HA
      LEU36 HD13 -   VAL15   HA

      LEU25 HD11 -   ASP23   HA    d: 9.22 +/- 0.10, weight: 0.0
      LEU25 HD12 -   ASP23   HA
      LEU25 HD13 -   ASP23   HA

      LEU25 HD11 -   ASP38   HA    d: 8.84 +/- 0.31, weight: 0.1
      LEU25 HD12 -   ASP38   HA
      LEU25 HD13 -   ASP38   HA

      ILE28 HD11 -   ASP23   HA    d: 9.69 +/- 0.23, weight: 0.0
      ILE28 HD12 -   ASP23   HA
      ILE28 HD13 -   ASP23   HA

      LEU36 HD11 -   VAL15   HA    d: 7.78 +/- 0.89, weight: 0.1
      LEU36 HD12 -   VAL15   HA
      LEU36 HD13 -   VAL15   HA

      LEU36 HD11 -   VAL15   HA    d: 8.95 +/- 0.33, weight: 0.1
      LEU36 HD12 -   VAL15   HA
      LEU36 HD13 -   VAL15   HA

      LEU36 HD11 -   PRO18   HA    d: 9.47 +/- 0.56, weight: 0.0
      LEU36 HD12 -   PRO18   HA
      LEU36 HD13 -   PRO18   HA

      LEU36 HD11 -   ASP23   HA    d: 10.00 +/- 0.60, weight: 0.0
      LEU36 HD12 -   ASP23   HA
      LEU36 HD13 -   ASP23   HA

      LEU36 HD11 -   ASP38   HA    d: 9.33 +/- 0.37, weight: 0.0
      LEU36 HD12 -   ASP38   HA
      LEU36 HD13 -   ASP38   HA

ref_spec: weit, ref_peak: 231, id: 1197, d: 2.67, u: 3.42, u_viol: 0.29, %_viol: 30.0, viol: no, reliable: no, a_type: A
       LEU7 HD11 -    LEU7   HA    d: 3.87 +/- 1.03, weight: 0.3
       LEU7 HD12 -    LEU7   HA
       LEU7 HD13 -    LEU7   HA

      LEU25 HD11 -   MET26   HA    d: 4.26 +/- 0.51, weight: 0.2
      LEU25 HD12 -   MET26   HA
      LEU25 HD13 -   MET26   HA

       LEU7 HD11 -    LEU7   HA    d: 3.87 +/- 1.03, weight: 0.3
       LEU7 HD12 -    LEU7   HA
       LEU7 HD13 -    LEU7   HA

      LEU25 HD11 -   MET26   HA    d: 4.26 +/- 0.51, weight: 0.2
      LEU25 HD12 -   MET26   HA
      LEU25 HD13 -   MET26   HA

ref_spec: weit, ref_peak: 232, id: 1198, d: 2.27, u: 3.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   ILE11   HB    d: 2.55 +/- 0.00, weight: 0.5
      ILE11 HG22 -   ILE11   HB
      ILE11 HG23 -   ILE11   HB

      ILE11 HG21 -   ILE11   HB    d: 2.55 +/- 0.00, weight: 0.5
      ILE11 HG22 -   ILE11   HB
      ILE11 HG23 -   ILE11   HB

ref_spec: weit, ref_peak: 233, id: 1199, d: 4.80, u: 7.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48 HD11 -   TRP21  HZ2    d: 5.55 +/- 0.42, weight: 0.4
      LEU48 HD12 -   TRP21  HZ2
      LEU48 HD13 -   TRP21  HZ2

      LEU48 HD11 -   TRP21  HE3    d: 6.54 +/- 0.19, weight: 0.1
      LEU48 HD12 -   TRP21  HE3
      LEU48 HD13 -   TRP21  HE3

      LEU48 HD11 -   TRP21  HZ2    d: 5.54 +/- 0.41, weight: 0.4
      LEU48 HD12 -   TRP21  HZ2
      LEU48 HD13 -   TRP21  HZ2

ref_spec: weit, ref_peak: 234, id: 1200, d: 7.24, u: 8.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48 HD11 -   ARG24   HA    d: 7.77 +/- 0.33, weight: 0.4
      LEU48 HD12 -   ARG24   HA
      LEU48 HD13 -   ARG24   HA

      LEU48 HD11 -   MET26   HA    d: 9.63 +/- 0.28, weight: 0.1
      LEU48 HD12 -   MET26   HA
      LEU48 HD13 -   MET26   HA

      LEU48 HD11 -   ARG24   HA    d: 7.78 +/- 0.33, weight: 0.4
      LEU48 HD12 -   ARG24   HA
      LEU48 HD13 -   ARG24   HA

ref_spec: eng, ref_peak: 1, id: 0, d: 2.52, u: 4.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   TRP21  HZ2    d: 2.83 +/- 0.01, weight: 0.5

      TRP21  HE1 -   TRP21  HZ2    d: 2.83 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 2, id: 1, d: 4.14, u: 4.11, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   TRP21  HH2    d: 4.95 +/- 0.01, weight: 0.2

      TRP21  HE1 -   TRP21    H    d: 4.78 +/- 0.14, weight: 0.3

      TRP21  HE1 -   TRP21  HH2    d: 4.95 +/- 0.01, weight: 0.2

      TRP21  HE1 -   TRP21    H    d: 4.77 +/- 0.14, weight: 0.3

ref_spec: eng, ref_peak: 3, id: 2, d: 5.25, u: 12.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   TRP21  HZ3    d: 5.86 +/- 0.00, weight: 0.5

      TRP21  HE1 -   TRP21  HZ3    d: 5.86 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 4, id: 3, d: 2.30, u: 3.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   TRP21  HD1    d: 2.58 +/- 0.00, weight: 0.5

      TRP21  HE1 -   TRP21  HD1    d: 2.58 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 5, id: 4, d: 4.15, u: 5.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   TRP21   HA    d: 4.89 +/- 0.06, weight: 0.5

      TRP21  HE1 -   TRP21   HA    d: 4.89 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 6, id: 5, d: 5.08, u: 6.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   GLU20  HB2    d: 4.20 +/- 0.26, weight: 0.5
      TRP21  HE1 -   GLU20  HB3

      TRP21  HE1 -   GLU20  HB2    d: 4.20 +/- 0.26, weight: 0.5
      TRP21  HE1 -   GLU20  HB3

ref_spec: eng, ref_peak: 7, id: 6, d: 4.65, u: 5.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   PRO18  HB3    d: 4.16 +/- 0.62, weight: 0.5

      TRP21  HE1 -   PRO18  HB3    d: 4.72 +/- 0.89, weight: 0.3

ref_spec: eng, ref_peak: 8, id: 7, d: 6.04, u: 6.00, u_viol: 0.05, %_viol: 15.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   ILE44 HG13    d: 6.43 +/- 0.11, weight: 0.5

      TRP21  HE1 -   ILE44 HG13    d: 6.43 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 9, id: 8, d: 6.59, u: 6.61, u_viol: 0.24, %_viol: 5.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   ILE44 HD11    d: 7.48 +/- 0.23, weight: 0.5
      TRP21  HE1 -   ILE44 HD12
      TRP21  HE1 -   ILE44 HD13

      TRP21  HE1 -   ILE44 HD11    d: 7.48 +/- 0.23, weight: 0.5
      TRP21  HE1 -   ILE44 HD12
      TRP21  HE1 -   ILE44 HD13

ref_spec: eng, ref_peak: 10, id: 9, d: 3.64, u: 5.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   PRO18  HG2    d: 3.22 +/- 0.48, weight: 0.5

      TRP21  HE1 -   PRO18  HG2    d: 3.27 +/- 0.49, weight: 0.5

ref_spec: eng, ref_peak: 11, id: 10, d: 4.21, u: 6.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20    H -   ASP23    H    d: 4.98 +/- 0.08, weight: 0.5

      GLU20    H -   ASP23    H    d: 4.98 +/- 0.08, weight: 0.5

ref_spec: eng, ref_peak: 12, id: 11, d: 3.88, u: 7.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20    H -   HIS22    H    d: 4.00 +/- 0.05, weight: 0.5

      GLU20    H -   HIS22    H    d: 4.00 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 13, id: 12, d: 4.42, u: 6.76, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20    H -   TRP21  HD1    d: 4.30 +/- 0.18, weight: 0.5

      GLU20    H -   TRP21  HD1    d: 4.30 +/- 0.18, weight: 0.5

ref_spec: eng, ref_peak: 14, id: 13, d: 2.48, u: 3.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20    H -   GLU20   HA    d: 2.77 +/- 0.01, weight: 0.5

      GLU20    H -   GLU20   HA    d: 2.77 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 15, id: 14, d: 4.16, u: 6.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20    H -   TRP21  HB3    d: 5.25 +/- 0.66, weight: 0.6

      GLU20    H -   TRP21  HB3    d: 5.44 +/- 0.72, weight: 0.4

ref_spec: eng, ref_peak: 16, id: 15, d: 2.32, u: 3.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19    H -   GLU20    H    d: 2.58 +/- 0.03, weight: 0.5

      GLN19    H -   GLU20    H    d: 2.58 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 17, id: 16, d: 3.54, u: 7.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19    H -   TRP21    H    d: 4.16 +/- 0.06, weight: 0.5

      GLN19    H -   TRP21    H    d: 4.16 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 18, id: 17, d: 4.63, u: 5.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19    H -   GLU20   HA    d: 5.16 +/- 0.03, weight: 0.5

      GLN19    H -   GLU20   HA    d: 5.16 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 19, id: 18, d: 5.26, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19    H -   GLY10  HA3    d: 5.34 +/- 0.18, weight: 0.5

      GLN19    H -   GLY10  HA3    d: 5.33 +/- 0.17, weight: 0.5

ref_spec: eng, ref_peak: 20, id: 19, d: 2.27, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19    H -   GLN19  HB3    d: 2.96 +/- 0.59, weight: 0.4

      GLN19    H -   GLN19  HB3    d: 2.87 +/- 0.58, weight: 0.5

ref_spec: eng, ref_peak: 21, id: 20, d: 4.21, u: 7.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19    H -   ILE11 HG12    d: 4.65 +/- 0.84, weight: 0.5

      GLN19    H -   ILE11 HG12    d: 4.57 +/- 0.73, weight: 0.5

ref_spec: eng, ref_peak: 22, id: 21, d: 2.22, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36    H -   THR35   HB    d: 2.51 +/- 0.27, weight: 0.5

      LEU36    H -   THR35   HB    d: 2.51 +/- 0.27, weight: 0.5

ref_spec: eng, ref_peak: 23, id: 22, d: 2.10, u: 3.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36    H -   THR35   HA    d: 2.41 +/- 0.03, weight: 0.5

      LEU36    H -   THR35   HA    d: 2.41 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 24, id: 23, d: 3.94, u: 4.60, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13    H -   LYS12    H    d: 4.38 +/- 0.05, weight: 0.5

      LEU13    H -   LYS12    H    d: 4.38 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 25, id: 24, d: 2.79, u: 4.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13    H -   VAL15    H    d: 2.69 +/- 0.70, weight: 0.5

      LEU13    H -   VAL15    H    d: 2.68 +/- 0.70, weight: 0.5

ref_spec: eng, ref_peak: 26, id: 25, d: 3.31, u: 3.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13    H -   TYR16   HA    d: 3.89 +/- 0.15, weight: 0.5

      LEU13    H -   TYR16   HA    d: 3.89 +/- 0.15, weight: 0.5

ref_spec: eng, ref_peak: 27, id: 26, d: 2.62, u: 3.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13    H -   LEU13   HA    d: 2.92 +/- 0.00, weight: 0.5

      LEU13    H -   LEU13   HA    d: 2.92 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 28, id: 27, d: 3.15, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13    H -   LEU13  HB3    d: 3.51 +/- 0.21, weight: 0.5

      LEU13    H -   LEU13  HB3    d: 3.45 +/- 0.29, weight: 0.5

ref_spec: eng, ref_peak: 29, id: 28, d: 2.13, u: 3.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13    H -   LEU13 HD21    d: 2.99 +/- 0.41, weight: 0.5
      LEU13    H -   LEU13 HD22
      LEU13    H -   LEU13 HD23

      LEU13    H -   LEU13 HD21    d: 2.99 +/- 0.41, weight: 0.5
      LEU13    H -   LEU13 HD22
      LEU13    H -   LEU13 HD23

ref_spec: eng, ref_peak: 30, id: 29, d: 4.65, u: 4.65, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11    H -   GLN19    H    d: 4.89 +/- 0.35, weight: 0.5

      ILE11    H -   GLN19    H    d: 4.90 +/- 0.36, weight: 0.5

ref_spec: eng, ref_peak: 31, id: 30, d: 2.34, u: 5.08, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11    H -   ILE17    H    d: 2.31 +/- 0.17, weight: 0.5

      ILE11    H -   ILE17    H    d: 2.31 +/- 0.17, weight: 0.5

ref_spec: eng, ref_peak: 32, id: 31, d: 3.67, u: 4.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11    H -   GLY10    H    d: 4.05 +/- 0.16, weight: 0.5

      ILE11    H -   GLY10    H    d: 4.05 +/- 0.16, weight: 0.5

ref_spec: eng, ref_peak: 33, id: 32, d: 2.84, u: 5.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11    H -   TYR16  HD1    d: 3.09 +/- 0.71, weight: 0.5
      ILE11    H -   TYR16  HD2

      ILE11    H -   TYR16  HD1    d: 3.08 +/- 0.71, weight: 0.5
      ILE11    H -   TYR16  HD2

ref_spec: eng, ref_peak: 34, id: 33, d: 4.21, u: 7.92, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11    H -   TYR16  HE1    d: 4.96 +/- 0.81, weight: 0.5
      ILE11    H -   TYR16  HE2

      ILE11    H -   TYR16  HE1    d: 4.96 +/- 0.81, weight: 0.5
      ILE11    H -   TYR16  HE2

ref_spec: eng, ref_peak: 35, id: 34, d: 2.63, u: 3.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11    H -   ILE11   HA    d: 2.92 +/- 0.01, weight: 0.5

      ILE11    H -   ILE11   HA    d: 2.92 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 36, id: 35, d: 3.48, u: 3.44, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11    H -   PRO18   HA    d: 3.87 +/- 0.13, weight: 0.5

      ILE11    H -   PRO18   HA    d: 3.87 +/- 0.13, weight: 0.5

ref_spec: eng, ref_peak: 37, id: 36, d: 3.56, u: 4.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23    H -   TRP21   HA    d: 4.43 +/- 0.10, weight: 0.5

      ASP23    H -   TRP21   HA    d: 4.44 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 38, id: 37, d: 3.10, u: 3.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23    H -   HIS22   HA    d: 3.53 +/- 0.01, weight: 0.5

      ASP23    H -   HIS22   HA    d: 3.53 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 39, id: 38, d: 2.85, u: 3.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23    H -   HIS22  HB3    d: 2.85 +/- 0.34, weight: 0.5

      ASP23    H -   HIS22  HB3    d: 2.90 +/- 0.34, weight: 0.5

ref_spec: eng, ref_peak: 40, id: 39, d: 4.27, u: 5.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23    H -   TRP21  HB3    d: 5.40 +/- 0.26, weight: 0.5

      ASP23    H -   TRP21  HB3    d: 5.46 +/- 0.27, weight: 0.5

ref_spec: eng, ref_peak: 41, id: 40, d: 2.26, u: 3.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23    H -   ASP23  HB3    d: 2.47 +/- 0.31, weight: 0.5

      ASP23    H -   ASP23  HB3    d: 2.47 +/- 0.31, weight: 0.5

ref_spec: eng, ref_peak: 42, id: 41, d: 5.12, u: 5.02, u_viol: 0.10, %_viol: 55.0, viol: no, reliable: no, a_type: A
      ASP23    H -   GLN19  HG2    d: 5.73 +/- 0.51, weight: 0.5

      ASP23    H -   GLN19  HG2    d: 5.88 +/- 0.53, weight: 0.5

ref_spec: eng, ref_peak: 43, id: 42, d: 4.70, u: 5.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23    H -   GLN19  HB3    d: 5.32 +/- 0.68, weight: 0.4

      ASP23    H -   GLN19  HB3    d: 5.22 +/- 0.72, weight: 0.4

ref_spec: eng, ref_peak: 44, id: 43, d: 4.31, u: 4.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23    H -   MET26  HB2    d: 5.25 +/- 0.04, weight: 0.3

      ASP23    H -   GLU20  HB2    d: 5.84 +/- 0.13, weight: 0.2
      ASP23    H -   GLU20  HB3

      ASP23    H -   MET26  HB2    d: 5.25 +/- 0.04, weight: 0.3

ref_spec: eng, ref_peak: 45, id: 44, d: 4.66, u: 5.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23    H -   GLN19  HB2    d: 5.19 +/- 0.71, weight: 0.5

      ASP23    H -   GLN19  HB2    d: 5.29 +/- 0.67, weight: 0.5

ref_spec: eng, ref_peak: 46, id: 45, d: 6.06, u: 6.00, u_viol: 0.06, %_viol: 5.0, viol: no, reliable: no, a_type: A
      ILE17    H -   GLN19    H    d: 6.50 +/- 0.10, weight: 0.5

      ILE17    H -   GLN19    H    d: 6.50 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 47, id: 46, d: 5.44, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   VAL15   HA    d: 5.89 +/- 0.19, weight: 0.5

      ILE17    H -   VAL15   HA    d: 5.89 +/- 0.19, weight: 0.5

ref_spec: eng, ref_peak: 48, id: 47, d: 3.20, u: 3.79, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   ILE17 HG21    d: 3.03 +/- 0.13, weight: 0.5
      ILE17    H -   ILE17 HG22
      ILE17    H -   ILE17 HG23

      ILE17    H -   ILE17 HG21    d: 3.03 +/- 0.13, weight: 0.5
      ILE17    H -   ILE17 HG22
      ILE17    H -   ILE17 HG23

ref_spec: eng, ref_peak: 49, id: 48, d: 4.33, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   ILE17 HD11    d: 4.70 +/- 0.13, weight: 0.5
      ILE17    H -   ILE17 HD12
      ILE17    H -   ILE17 HD13

      ILE17    H -   ILE17 HD11    d: 4.70 +/- 0.13, weight: 0.5
      ILE17    H -   ILE17 HD12
      ILE17    H -   ILE17 HD13

ref_spec: eng, ref_peak: 50, id: 49, d: 1.94, u: 3.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   TYR16   HA    d: 2.16 +/- 0.05, weight: 0.5

      ILE17    H -   TYR16   HA    d: 2.16 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 51, id: 50, d: 2.60, u: 3.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   ILE17   HA    d: 2.93 +/- 0.01, weight: 0.5

      ILE17    H -   ILE17   HA    d: 2.93 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 52, id: 51, d: 3.82, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   LYS12   HA    d: 3.96 +/- 0.26, weight: 0.5

      ILE17    H -   LYS12   HA    d: 3.96 +/- 0.26, weight: 0.5

ref_spec: eng, ref_peak: 53, id: 52, d: 3.57, u: 5.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   GLY10  HA2    d: 3.70 +/- 0.22, weight: 0.5

      ILE17    H -   GLY10  HA2    d: 3.70 +/- 0.19, weight: 0.5

ref_spec: eng, ref_peak: 54, id: 53, d: 3.28, u: 3.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   TYR16  HB3    d: 4.13 +/- 0.47, weight: 0.5

      ILE17    H -   TYR16  HB3    d: 4.05 +/- 0.45, weight: 0.5

ref_spec: eng, ref_peak: 55, id: 54, d: 3.41, u: 4.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   ILE17   HB    d: 3.90 +/- 0.04, weight: 0.4

      ILE17    H -   ILE17   HB    d: 3.90 +/- 0.04, weight: 0.4

ref_spec: eng, ref_peak: 56, id: 55, d: 3.95, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16    H -   ILE17    H    d: 4.32 +/- 0.05, weight: 0.5

      TYR16    H -   ILE17    H    d: 4.32 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 57, id: 56, d: 3.74, u: 4.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16    H -   TYR16  HD1    d: 4.19 +/- 0.38, weight: 0.5
      TYR16    H -   TYR16  HD2

      TYR16    H -   TYR16  HD1    d: 4.20 +/- 0.38, weight: 0.5
      TYR16    H -   TYR16  HD2

ref_spec: eng, ref_peak: 58, id: 57, d: 5.69, u: 7.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16    H -   TYR16  HE1    d: 6.36 +/- 0.23, weight: 0.5
      TYR16    H -   TYR16  HE2

      TYR16    H -   TYR16  HE1    d: 6.36 +/- 0.23, weight: 0.5
      TYR16    H -   TYR16  HE2

ref_spec: eng, ref_peak: 59, id: 58, d: 2.62, u: 3.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16    H -   TYR16   HA    d: 2.93 +/- 0.00, weight: 0.5

      TYR16    H -   TYR16   HA    d: 2.93 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 60, id: 59, d: 2.05, u: 2.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16    H -   VAL15   HA    d: 2.27 +/- 0.06, weight: 0.5

      TYR16    H -   VAL15   HA    d: 2.27 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 61, id: 60, d: 2.35, u: 4.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3    H -    ARG3   HA    d: 2.77 +/- 0.28, weight: 0.5

       ARG3    H -    ARG3   HA    d: 2.77 +/- 0.28, weight: 0.5

ref_spec: eng, ref_peak: 62, id: 61, d: 2.38, u: 3.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3    H -    GLY2  HA2    d: 2.73 +/- 0.31, weight: 0.5
       ARG3    H -    GLY2  HA3

       ARG3    H -    GLY2  HA2    d: 2.73 +/- 0.31, weight: 0.5
       ARG3    H -    GLY2  HA3

ref_spec: eng, ref_peak: 63, id: 62, d: 2.24, u: 2.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16    H -   VAL15 HG11    d: 3.03 +/- 0.74, weight: 0.5
      TYR16    H -   VAL15 HG12
      TYR16    H -   VAL15 HG13

      TYR16    H -   VAL15 HG11    d: 3.03 +/- 0.74, weight: 0.5
      TYR16    H -   VAL15 HG12
      TYR16    H -   VAL15 HG13

ref_spec: eng, ref_peak: 64, id: 63, d: 2.47, u: 3.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      SER37    H -   LEU36    H    d: 2.67 +/- 0.03, weight: 0.5

      SER37    H -   LEU36    H    d: 2.67 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 65, id: 64, d: 2.56, u: 6.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR35    H -   THR35   HB    d: 3.69 +/- 0.14, weight: 0.1

      SER37    H -   THR35   HB    d: 2.96 +/- 0.34, weight: 0.4

      SER37    H -   THR35   HB    d: 2.96 +/- 0.34, weight: 0.4

ref_spec: eng, ref_peak: 66, id: 65, d: 2.59, u: 3.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR35    H -   THR35   HA    d: 2.94 +/- 0.00, weight: 0.5

      THR35    H -   THR35   HA    d: 2.94 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 67, id: 66, d: 2.48, u: 3.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      SER37    H -   SER37   HA    d: 2.78 +/- 0.01, weight: 0.5

      SER37    H -   SER37   HA    d: 2.78 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 68, id: 67, d: 3.11, u: 3.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      SER37    H -   LEU36   HA    d: 3.51 +/- 0.01, weight: 0.5

      SER37    H -   LEU36   HA    d: 3.51 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 69, id: 68, d: 3.39, u: 3.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      SER37    H -   LEU36  HB2    d: 3.82 +/- 0.11, weight: 0.5

      SER37    H -   LEU36  HB2    d: 3.80 +/- 0.14, weight: 0.5

ref_spec: eng, ref_peak: 70, id: 69, d: 2.36, u: 3.23, u_viol: 0.44, %_viol: 10.0, viol: no, reliable: no, a_type: A
      SER37    H -   LEU36 HD21    d: 2.32 +/- 0.49, weight: 0.5
      SER37    H -   LEU36 HD22
      SER37    H -   LEU36 HD23

      SER37    H -   LEU36 HD21    d: 2.32 +/- 0.49, weight: 0.5
      SER37    H -   LEU36 HD22
      SER37    H -   LEU36 HD23

ref_spec: eng, ref_peak: 71, id: 70, d: 3.90, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY14    H -   LEU13    H    d: 4.43 +/- 0.03, weight: 0.5

      GLY14    H -   LEU13    H    d: 4.43 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 72, id: 71, d: 2.32, u: 3.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY14    H -   GLY14  HA3    d: 2.86 +/- 0.20, weight: 0.3

      LEU34    H -   LEU34   HA    d: 2.93 +/- 0.00, weight: 0.2

      GLY14    H -   GLY14  HA3    d: 2.86 +/- 0.20, weight: 0.3

      LEU34    H -   LEU34   HA    d: 2.93 +/- 0.00, weight: 0.2

ref_spec: eng, ref_peak: 73, id: 72, d: 5.05, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY14    H -   LEU13 HD21    d: 5.66 +/- 0.48, weight: 0.5
      GLY14    H -   LEU13 HD22
      GLY14    H -   LEU13 HD23

      GLY14    H -   LEU13 HD21    d: 5.66 +/- 0.48, weight: 0.5
      GLY14    H -   LEU13 HD22
      GLY14    H -   LEU13 HD23

ref_spec: eng, ref_peak: 74, id: 73, d: 2.62, u: 3.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34    H -   LEU34   HA    d: 2.93 +/- 0.00, weight: 0.5

      LEU34    H -   LEU34   HA    d: 2.93 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 75, id: 74, d: 3.79, u: 4.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34    H -   LYS30   HA    d: 4.07 +/- 0.04, weight: 0.5

      LEU34    H -   LYS30   HA    d: 4.07 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 76, id: 75, d: 3.77, u: 4.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34    H -   ASN33  HB3    d: 4.14 +/- 0.07, weight: 0.5

      LEU34    H -   ASN33  HB3    d: 4.14 +/- 0.07, weight: 0.5

ref_spec: eng, ref_peak: 77, id: 76, d: 2.44, u: 3.19, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34    H -   LEU34  HB3    d: 2.86 +/- 0.49, weight: 0.7

      LEU34    H -   LEU34  HB3    d: 3.40 +/- 0.50, weight: 0.3

ref_spec: eng, ref_peak: 78, id: 77, d: 2.73, u: 2.80, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34    H -   LEU34   HG    d: 2.57 +/- 0.04, weight: 0.5

      LEU34    H -   LEU34   HG    d: 2.58 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 79, id: 78, d: 2.39, u: 2.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34    H -   LEU34  HB2    d: 3.39 +/- 0.50, weight: 0.3

      LEU34    H -   LEU34  HB2    d: 2.86 +/- 0.49, weight: 0.7

ref_spec: eng, ref_peak: 80, id: 79, d: 4.25, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34    H -   LEU34 HD21    d: 4.16 +/- 0.05, weight: 0.5
      LEU34    H -   LEU34 HD22
      LEU34    H -   LEU34 HD23

      LEU34    H -   LEU34 HD21    d: 4.17 +/- 0.04, weight: 0.5
      LEU34    H -   LEU34 HD22
      LEU34    H -   LEU34 HD23

ref_spec: eng, ref_peak: 81, id: 80, d: 4.16, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34    H -   LEU34 HD11    d: 4.59 +/- 0.04, weight: 0.5
      LEU34    H -   LEU34 HD12
      LEU34    H -   LEU34 HD13

      LEU34    H -   LEU34 HD11    d: 4.60 +/- 0.04, weight: 0.5
      LEU34    H -   LEU34 HD12
      LEU34    H -   LEU34 HD13

ref_spec: eng, ref_peak: 82, id: 81, d: 2.28, u: 4.82, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49    H -   LEU48    H    d: 2.44 +/- 0.03, weight: 0.5

      ASP49    H -   LEU48    H    d: 2.44 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 83, id: 82, d: 2.36, u: 3.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49    H -   ASP49  HB2    d: 2.81 +/- 0.13, weight: 0.5

      ASP49    H -   ASP49  HB2    d: 2.81 +/- 0.13, weight: 0.5

ref_spec: eng, ref_peak: 84, id: 83, d: 4.89, u: 5.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49    H -   GLU46  HB2    d: 5.22 +/- 0.06, weight: 0.5
      ASP49    H -   GLU46  HB3

      ASP49    H -   GLU46  HB2    d: 5.22 +/- 0.06, weight: 0.5
      ASP49    H -   GLU46  HB3

ref_spec: eng, ref_peak: 85, id: 84, d: 2.51, u: 2.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49    H -   LEU48  HB3    d: 3.31 +/- 0.57, weight: 0.6

      ASP49    H -   LEU48  HB3    d: 3.45 +/- 0.57, weight: 0.4

ref_spec: eng, ref_peak: 86, id: 85, d: 4.84, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49    H -   LEU48 HD21    d: 5.39 +/- 0.05, weight: 0.5
      ASP49    H -   LEU48 HD22
      ASP49    H -   LEU48 HD23

      ASP49    H -   LEU48 HD21    d: 5.40 +/- 0.05, weight: 0.5
      ASP49    H -   LEU48 HD22
      ASP49    H -   LEU48 HD23

ref_spec: eng, ref_peak: 87, id: 86, d: 4.72, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49    H -   LEU48 HD11    d: 5.57 +/- 0.07, weight: 0.5
      ASP49    H -   LEU48 HD12
      ASP49    H -   LEU48 HD13

      ASP49    H -   LEU48 HD11    d: 5.57 +/- 0.08, weight: 0.5
      ASP49    H -   LEU48 HD12
      ASP49    H -   LEU48 HD13

ref_spec: eng, ref_peak: 88, id: 87, d: 2.33, u: 3.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29    H -   LYS30    H    d: 2.64 +/- 0.01, weight: 0.5

      ALA29    H -   LYS30    H    d: 2.65 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 89, id: 88, d: 3.26, u: 5.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29    H -   GLU27    H    d: 3.84 +/- 0.03, weight: 0.5

      ALA29    H -   GLU27    H    d: 3.84 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 90, id: 89, d: 2.93, u: 3.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29    H -   MET26   HA    d: 2.85 +/- 0.04, weight: 0.5

      ALA29    H -   MET26   HA    d: 2.85 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 91, id: 90, d: 3.51, u: 3.51, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29    H -   GLU27   HA    d: 4.19 +/- 0.02, weight: 0.4

      ALA29    H -   LYS30   HA    d: 5.25 +/- 0.01, weight: 0.1

      ALA29    H -   GLU27   HA    d: 4.19 +/- 0.02, weight: 0.4

ref_spec: eng, ref_peak: 92, id: 91, d: 3.08, u: 3.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29    H -   ILE28   HA    d: 3.48 +/- 0.01, weight: 0.5

      ALA29    H -   ILE28   HA    d: 3.48 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 93, id: 92, d: 5.16, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29    H -   MET26  HG3    d: 5.85 +/- 0.19, weight: 0.4

      ALA29    H -   MET26  HG3    d: 5.88 +/- 0.26, weight: 0.4

      ALA29    H -   GLU31  HG2    d: 6.92 +/- 1.02, weight: 0.1
      ALA29    H -   GLU31  HG3

ref_spec: eng, ref_peak: 94, id: 93, d: 3.99, u: 4.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29    H -   GLU27  HB3    d: 5.14 +/- 0.41, weight: 0.3

      ALA29    H -   GLU31  HB3    d: 5.73 +/- 0.59, weight: 0.2

      ALA29    H -   GLU27  HB3    d: 5.13 +/- 0.43, weight: 0.3

ref_spec: eng, ref_peak: 95, id: 94, d: 2.37, u: 2.75, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29    H -   ALA29  HB1    d: 2.54 +/- 0.02, weight: 0.5
      ALA29    H -   ALA29  HB2
      ALA29    H -   ALA29  HB3

      ALA29    H -   ALA29  HB1    d: 2.54 +/- 0.02, weight: 0.5
      ALA29    H -   ALA29  HB2
      ALA29    H -   ALA29  HB3

ref_spec: eng, ref_peak: 96, id: 95, d: 3.77, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29    H -   ILE28 HG12    d: 3.69 +/- 0.45, weight: 0.5

      ALA29    H -   ILE28 HG12    d: 3.69 +/- 0.45, weight: 0.5

ref_spec: eng, ref_peak: 97, id: 96, d: 1.91, u: 2.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15    H -   GLY14  HA3    d: 2.31 +/- 0.26, weight: 0.5

      VAL15    H -   GLY14  HA3    d: 2.31 +/- 0.27, weight: 0.5

ref_spec: eng, ref_peak: 98, id: 97, d: 4.23, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15    H -   LEU13   HA    d: 4.41 +/- 0.14, weight: 0.4

      VAL15    H -   LEU13   HA    d: 4.41 +/- 0.14, weight: 0.4

ref_spec: eng, ref_peak: 99, id: 98, d: 2.48, u: 2.85, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15    H -   VAL15   HB    d: 3.01 +/- 0.27, weight: 0.5

      VAL15    H -   VAL15   HB    d: 3.02 +/- 0.27, weight: 0.5

ref_spec: eng, ref_peak: 100, id: 99, d: 5.63, u: 6.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   LEU42    H    d: 6.22 +/- 0.09, weight: 0.5

      GLU46    H -   LEU42    H    d: 6.22 +/- 0.09, weight: 0.5

ref_spec: eng, ref_peak: 101, id: 100, d: 4.15, u: 5.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   TYR47  HD1    d: 5.01 +/- 0.23, weight: 0.4
      GLU46    H -   TYR47  HD2

      GLU46    H -   TYR47  HD1    d: 5.01 +/- 0.23, weight: 0.4
      GLU46    H -   TYR47  HD2

ref_spec: eng, ref_peak: 102, id: 101, d: 4.31, u: 4.25, u_viol: 0.06, %_viol: 5.0, viol: no, reliable: no, a_type: A
      GLU46    H -   TYR47   HA    d: 4.98 +/- 0.02, weight: 0.4

      GLU46    H -   TYR47   HA    d: 4.97 +/- 0.02, weight: 0.4

ref_spec: eng, ref_peak: 103, id: 102, d: 2.54, u: 3.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   GLU46   HA    d: 2.85 +/- 0.01, weight: 0.5

      GLU46    H -   GLU46   HA    d: 2.85 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 104, id: 103, d: 3.09, u: 4.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   ALA43   HA    d: 3.32 +/- 0.06, weight: 0.5

      GLU46    H -   ALA43   HA    d: 3.31 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 105, id: 104, d: 3.83, u: 4.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   ILE44   HA    d: 3.96 +/- 0.06, weight: 0.5

      GLU46    H -   ILE44   HA    d: 3.96 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 106, id: 105, d: 3.16, u: 3.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   LYS45   HA    d: 3.48 +/- 0.01, weight: 0.5

      GLU46    H -   LYS45   HA    d: 3.48 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 107, id: 106, d: 3.82, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   GLU46  HG3    d: 4.28 +/- 0.31, weight: 0.2

      GLU46    H -   ASP49  HB3    d: 4.32 +/- 0.13, weight: 0.2

      GLU46    H -   GLU46  HG3    d: 4.25 +/- 0.34, weight: 0.3

      GLU46    H -   ASP49  HB3    d: 4.33 +/- 0.17, weight: 0.2

ref_spec: eng, ref_peak: 108, id: 107, d: 4.66, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   ILE44   HB    d: 5.02 +/- 0.03, weight: 0.5

      GLU46    H -   ILE44   HB    d: 5.02 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 109, id: 108, d: 3.56, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   LYS45  HG2    d: 4.24 +/- 0.06, weight: 0.5
      GLU46    H -   LYS45  HG3

      GLU46    H -   LYS45  HG2    d: 4.24 +/- 0.06, weight: 0.5
      GLU46    H -   LYS45  HG3

ref_spec: eng, ref_peak: 110, id: 109, d: 4.46, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   ALA43  HB1    d: 5.32 +/- 0.06, weight: 0.2
      GLU46    H -   ALA43  HB2
      GLU46    H -   ALA43  HB3

      GLU46    H -   ALA43  HB1    d: 5.23 +/- 0.06, weight: 0.3
      GLU46    H -   ALA43  HB2
      GLU46    H -   ALA43  HB3

      GLU46    H -   ALA43  HB1    d: 5.23 +/- 0.06, weight: 0.3
      GLU46    H -   ALA43  HB2
      GLU46    H -   ALA43  HB3

      GLU46    H -   ALA43  HB1    d: 5.32 +/- 0.06, weight: 0.2
      GLU46    H -   ALA43  HB2
      GLU46    H -   ALA43  HB3

ref_spec: eng, ref_peak: 111, id: 110, d: 4.23, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   SER37    H    d: 4.77 +/- 0.06, weight: 0.4

      CYS40    H -   SER37    H    d: 4.77 +/- 0.06, weight: 0.4

ref_spec: eng, ref_peak: 112, id: 111, d: 3.53, u: 3.68, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   LEU42    H    d: 4.05 +/- 0.11, weight: 0.5

      CYS40    H -   LEU42    H    d: 4.05 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 113, id: 112, d: 3.96, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   ALA43    H    d: 4.32 +/- 0.03, weight: 0.5

      CYS40    H -   ALA43    H    d: 4.33 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 114, id: 113, d: 3.21, u: 3.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   SER37   HA    d: 3.61 +/- 0.09, weight: 0.5

      CYS40    H -   SER37   HA    d: 3.61 +/- 0.09, weight: 0.5

ref_spec: eng, ref_peak: 115, id: 114, d: 3.70, u: 4.60, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   LEU36   HA    d: 4.08 +/- 0.08, weight: 0.5

      CYS40    H -   LEU36   HA    d: 4.08 +/- 0.08, weight: 0.5

ref_spec: eng, ref_peak: 116, id: 115, d: 2.52, u: 3.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   CYS40   HA    d: 2.84 +/- 0.00, weight: 0.5

      CYS40    H -   CYS40   HA    d: 2.84 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 117, id: 116, d: 4.57, u: 5.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   ASP38  HB3    d: 5.15 +/- 0.11, weight: 0.4

      CYS40    H -   ARG41  HD2    d: 6.56 +/- 0.61, weight: 0.1

      CYS40    H -   ASP38  HB3    d: 5.15 +/- 0.11, weight: 0.4

ref_spec: eng, ref_peak: 118, id: 117, d: 4.84, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   LEU36   HG    d: 5.13 +/- 0.15, weight: 0.5

      CYS40    H -   LEU36   HG    d: 5.13 +/- 0.15, weight: 0.5

ref_spec: eng, ref_peak: 119, id: 118, d: 4.06, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   VAL39 HG21    d: 4.60 +/- 0.05, weight: 0.5
      CYS40    H -   VAL39 HG22
      CYS40    H -   VAL39 HG23

      CYS40    H -   VAL39 HG21    d: 4.60 +/- 0.05, weight: 0.5
      CYS40    H -   VAL39 HG22
      CYS40    H -   VAL39 HG23

ref_spec: eng, ref_peak: 120, id: 119, d: 3.88, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   VAL39 HG11    d: 4.54 +/- 0.07, weight: 0.5
      CYS40    H -   VAL39 HG12
      CYS40    H -   VAL39 HG13

      CYS40    H -   VAL39 HG11    d: 4.54 +/- 0.07, weight: 0.5
      CYS40    H -   VAL39 HG12
      CYS40    H -   VAL39 HG13

ref_spec: eng, ref_peak: 121, id: 120, d: 3.66, u: 3.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   ILE44 HD11    d: 3.92 +/- 0.17, weight: 0.5
      CYS40    H -   ILE44 HD12
      CYS40    H -   ILE44 HD13

      CYS40    H -   ILE44 HD11    d: 3.92 +/- 0.17, weight: 0.5
      CYS40    H -   ILE44 HD12
      CYS40    H -   ILE44 HD13

ref_spec: eng, ref_peak: 122, id: 121, d: 5.50, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   LEU25 HD11    d: 5.38 +/- 0.28, weight: 0.5
      CYS40    H -   LEU25 HD12
      CYS40    H -   LEU25 HD13

      CYS40    H -   LEU25 HD11    d: 5.38 +/- 0.28, weight: 0.5
      CYS40    H -   LEU25 HD12
      CYS40    H -   LEU25 HD13

ref_spec: eng, ref_peak: 123, id: 122, d: 2.72, u: 3.21, u_viol: 0.12, %_viol: 5.0, viol: no, reliable: no, a_type: A
      GLN54    H -   GLN54  HG2    d: 3.00 +/- 0.48, weight: 0.5
      GLN54    H -   GLN54  HG3

      GLN54    H -   GLN54  HG2    d: 3.00 +/- 0.48, weight: 0.5
      GLN54    H -   GLN54  HG3

ref_spec: eng, ref_peak: 124, id: 123, d: 2.44, u: 3.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41    H -   ARG41   HA    d: 2.74 +/- 0.03, weight: 0.5

      ARG41    H -   ARG41   HA    d: 2.74 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 125, id: 124, d: 3.16, u: 4.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41    H -   CYS40   HA    d: 3.56 +/- 0.02, weight: 0.5

      ARG41    H -   CYS40   HA    d: 3.56 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 126, id: 125, d: 4.60, u: 5.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41    H -   VAL39   HA    d: 5.04 +/- 0.16, weight: 0.5

      ARG41    H -   VAL39   HA    d: 5.04 +/- 0.16, weight: 0.5

ref_spec: eng, ref_peak: 127, id: 126, d: 2.96, u: 3.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41    H -   CYS40  HB3    d: 3.27 +/- 0.31, weight: 0.5

      ARG41    H -   CYS40  HB3    d: 3.30 +/- 0.20, weight: 0.5

ref_spec: eng, ref_peak: 128, id: 127, d: 1.92, u: 3.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41    H -   CYS40  HB2    d: 2.32 +/- 0.59, weight: 0.5

      ARG41    H -   CYS40  HB2    d: 2.29 +/- 0.59, weight: 0.5

ref_spec: eng, ref_peak: 129, id: 128, d: 2.93, u: 3.34, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS55    H -   GLN54  HB3    d: 3.60 +/- 0.58, weight: 0.4

      LYS55    H -   GLN54  HB3    d: 3.47 +/- 0.66, weight: 0.6

ref_spec: eng, ref_peak: 130, id: 129, d: 4.22, u: 4.14, u_viol: 0.09, %_viol: 30.0, viol: no, reliable: no, a_type: A
      ARG41    H -   ALA43  HB1    d: 5.33 +/- 0.06, weight: 0.2
      ARG41    H -   ALA43  HB2
      ARG41    H -   ALA43  HB3

      ARG41    H -   ILE17 HG21    d: 4.78 +/- 0.14, weight: 0.3
      ARG41    H -   ILE17 HG22
      ARG41    H -   ILE17 HG23

      ARG41    H -   ILE17 HG21    d: 4.78 +/- 0.14, weight: 0.3
      ARG41    H -   ILE17 HG22
      ARG41    H -   ILE17 HG23

      ARG41    H -   ALA43  HB1    d: 5.33 +/- 0.06, weight: 0.2
      ARG41    H -   ALA43  HB2
      ARG41    H -   ALA43  HB3

ref_spec: eng, ref_peak: 131, id: 130, d: 5.02, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41    H -   ILE44 HG21    d: 6.77 +/- 0.39, weight: 0.2
      ARG41    H -   ILE44 HG22
      ARG41    H -   ILE44 HG23

      ARG41    H -   ILE44 HG21    d: 6.76 +/- 0.39, weight: 0.2
      ARG41    H -   ILE44 HG22
      ARG41    H -   ILE44 HG23

      ARG41    H -   LEU36 HD21    d: 8.56 +/- 0.20, weight: 0.0
      ARG41    H -   LEU36 HD22
      ARG41    H -   LEU36 HD23

      ARG41    H -   LEU42 HD11    d: 6.59 +/- 0.42, weight: 0.2
      ARG41    H -   LEU42 HD12
      ARG41    H -   LEU42 HD13

      ARG41    H -   ILE44 HG21    d: 7.84 +/- 0.19, weight: 0.1
      ARG41    H -   ILE44 HG22
      ARG41    H -   ILE44 HG23

      ARG41    H -   LEU42 HD11    d: 6.59 +/- 0.42, weight: 0.2
      ARG41    H -   LEU42 HD12
      ARG41    H -   LEU42 HD13

      ARG41    H -   ILE44 HG21    d: 7.84 +/- 0.19, weight: 0.1
      ARG41    H -   ILE44 HG22
      ARG41    H -   ILE44 HG23

ref_spec: eng, ref_peak: 132, id: 131, d: 4.08, u: 5.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5    H -    PRO4  HD2    d: 4.08 +/- 1.13, weight: 0.6

       TYR5    H -    PRO4  HD2    d: 4.26 +/- 1.11, weight: 0.4

ref_spec: eng, ref_peak: 133, id: 132, d: 2.92, u: 5.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5    H -    PRO4  HB3    d: 3.46 +/- 0.78, weight: 0.5

       TYR5    H -    PRO4  HB3    d: 3.58 +/- 0.73, weight: 0.5

ref_spec: eng, ref_peak: 134, id: 133, d: 2.74, u: 4.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5    H -    PRO4  HB2    d: 3.29 +/- 0.85, weight: 0.4

       TYR5    H -    PRO4  HB2    d: 3.18 +/- 0.86, weight: 0.6

ref_spec: eng, ref_peak: 135, id: 134, d: 3.85, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6    H -    TYR5  HD1    d: 4.21 +/- 0.52, weight: 0.5
       LYS6    H -    TYR5  HD2

       LYS6    H -    TYR5  HD1    d: 4.21 +/- 0.52, weight: 0.5
       LYS6    H -    TYR5  HD2

ref_spec: eng, ref_peak: 136, id: 135, d: 4.42, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31    H -   ILE28    H    d: 4.80 +/- 0.02, weight: 0.5

      GLU31    H -   ILE28    H    d: 4.80 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 137, id: 136, d: 2.50, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31    H -   GLU31   HA    d: 2.81 +/- 0.00, weight: 0.5

      GLU31    H -   GLU31   HA    d: 2.81 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 138, id: 137, d: 4.90, u: 6.00, u_viol: 0.52, %_viol: 10.0, viol: no, reliable: no, a_type: A
      GLU31    H -   GLU27  HG2    d: 5.04 +/- 0.12, weight: 0.5
      GLU31    H -   GLU27  HG3

      GLU31    H -   GLU27  HG2    d: 5.04 +/- 0.12, weight: 0.5
      GLU31    H -   GLU27  HG3

ref_spec: eng, ref_peak: 139, id: 138, d: 2.48, u: 3.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26    H -   MET26   HA    d: 2.84 +/- 0.01, weight: 0.5

      MET26    H -   MET26   HA    d: 2.84 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 140, id: 139, d: 2.95, u: 3.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP52    H -   HIS51  HB3    d: 2.64 +/- 0.12, weight: 0.5

      ASP52    H -   HIS51  HB3    d: 2.64 +/- 0.12, weight: 0.5

ref_spec: eng, ref_peak: 141, id: 140, d: 2.97, u: 3.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44    H -   ARG41   HA    d: 3.33 +/- 0.18, weight: 0.5

      ILE44    H -   ARG41   HA    d: 3.33 +/- 0.18, weight: 0.5

ref_spec: eng, ref_peak: 142, id: 141, d: 4.46, u: 4.38, u_viol: 0.08, %_viol: 45.0, viol: no, reliable: no, a_type: A
      ILE44    H -   LYS45   HA    d: 5.08 +/- 0.02, weight: 0.4

      ILE44    H -   LYS45   HA    d: 5.08 +/- 0.02, weight: 0.4

ref_spec: eng, ref_peak: 143, id: 142, d: 3.36, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26    H -   LEU25   HG    d: 4.93 +/- 0.07, weight: 0.1

      MET26    H -   ILE28 HG12    d: 5.13 +/- 0.60, weight: 0.1

      ILE44    H -   ILE44 HG21    d: 4.25 +/- 0.12, weight: 0.3
      ILE44    H -   ILE44 HG22
      ILE44    H -   ILE44 HG23

      MET26    H -   LEU25   HG    d: 4.93 +/- 0.07, weight: 0.1

      MET26    H -   ILE28 HG12    d: 5.13 +/- 0.64, weight: 0.1

      ILE44    H -   ILE44 HG21    d: 4.25 +/- 0.12, weight: 0.3
      ILE44    H -   ILE44 HG22
      ILE44    H -   ILE44 HG23

ref_spec: eng, ref_peak: 144, id: 143, d: 3.74, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44    H -   ILE44 HD11    d: 4.21 +/- 0.30, weight: 0.5
      ILE44    H -   ILE44 HD12
      ILE44    H -   ILE44 HD13

      ILE44    H -   ILE44 HD11    d: 4.21 +/- 0.30, weight: 0.5
      ILE44    H -   ILE44 HD12
      ILE44    H -   ILE44 HD13

ref_spec: eng, ref_peak: 145, id: 144, d: 4.58, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26    H -   LEU25 HD11    d: 4.49 +/- 0.25, weight: 0.4
      MET26    H -   LEU25 HD12
      MET26    H -   LEU25 HD13

      MET26    H -   LEU25 HD11    d: 4.49 +/- 0.25, weight: 0.4
      MET26    H -   LEU25 HD12
      MET26    H -   LEU25 HD13

ref_spec: eng, ref_peak: 146, id: 145, d: 2.49, u: 2.56, u_viol: 0.20, %_viol: 5.0, viol: no, reliable: no, a_type: A
      LYS32    H -   LYS32  HD2    d: 2.69 +/- 0.24, weight: 0.5
      LYS32    H -   LYS32  HD3

      LYS32    H -   LYS32  HD2    d: 2.69 +/- 0.24, weight: 0.5
      LYS32    H -   LYS32  HD3

ref_spec: eng, ref_peak: 147, id: 146, d: 2.25, u: 2.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32    H -   LYS32  HB2    d: 3.07 +/- 0.62, weight: 0.4

      LYS32    H -   LYS32  HB2    d: 2.95 +/- 0.63, weight: 0.5

ref_spec: eng, ref_peak: 148, id: 147, d: 5.04, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS56    H -   GLN54    H    d: 2.85 +/- 0.23, weight: 0.5

      LYS56    H -   GLN54    H    d: 2.85 +/- 0.23, weight: 0.5

ref_spec: eng, ref_peak: 149, id: 148, d: 2.51, u: 3.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39    H -   VAL39   HA    d: 2.80 +/- 0.02, weight: 0.5

      VAL39    H -   VAL39   HA    d: 2.80 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 150, id: 149, d: 2.33, u: 2.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39    H -   VAL39   HB    d: 2.68 +/- 0.04, weight: 0.5

      VAL39    H -   VAL39   HB    d: 2.68 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 151, id: 150, d: 2.09, u: 2.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39    H -   VAL39 HG21    d: 2.26 +/- 0.07, weight: 0.5
      VAL39    H -   VAL39 HG22
      VAL39    H -   VAL39 HG23

      VAL39    H -   VAL39 HG21    d: 2.26 +/- 0.07, weight: 0.5
      VAL39    H -   VAL39 HG22
      VAL39    H -   VAL39 HG23

ref_spec: eng, ref_peak: 152, id: 151, d: 4.02, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39    H -   VAL39 HG11    d: 4.52 +/- 0.01, weight: 0.5
      VAL39    H -   VAL39 HG12
      VAL39    H -   VAL39 HG13

      VAL39    H -   VAL39 HG11    d: 4.52 +/- 0.01, weight: 0.5
      VAL39    H -   VAL39 HG12
      VAL39    H -   VAL39 HG13

ref_spec: eng, ref_peak: 153, id: 152, d: 2.39, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22    H -   ASP23    H    d: 2.90 +/- 0.04, weight: 0.5

      HIS22    H -   ASP23    H    d: 2.90 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 154, id: 153, d: 3.49, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30    H -   ILE28    H    d: 3.85 +/- 0.03, weight: 0.4

      LYS30    H -   ILE28    H    d: 3.84 +/- 0.03, weight: 0.4

      VAL39    H -   LEU42    H    d: 4.84 +/- 0.05, weight: 0.1

ref_spec: eng, ref_peak: 155, id: 154, d: 2.25, u: 3.79, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22    H -   TRP21    H    d: 2.31 +/- 0.03, weight: 0.5

      HIS22    H -   TRP21    H    d: 2.31 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 156, id: 155, d: 3.18, u: 3.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22    H -   TRP21   HA    d: 3.54 +/- 0.01, weight: 0.5

      HIS22    H -   TRP21   HA    d: 3.54 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 157, id: 156, d: 2.48, u: 3.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22    H -   HIS22   HA    d: 2.76 +/- 0.01, weight: 0.5

      HIS22    H -   HIS22   HA    d: 2.76 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 158, id: 157, d: 2.21, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22    H -   GLN19   HA    d: 2.68 +/- 0.07, weight: 0.4

      HIS22    H -   HIS22  HB3    d: 3.00 +/- 0.67, weight: 0.2

      HIS22    H -   GLN19   HA    d: 2.68 +/- 0.07, weight: 0.4

ref_spec: eng, ref_peak: 159, id: 158, d: 4.64, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38    H -   ARG41    H    d: 5.13 +/- 0.11, weight: 0.5

      ASP38    H -   ARG41    H    d: 5.13 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 160, id: 159, d: 3.83, u: 4.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38    H -   LEU36    H    d: 4.03 +/- 0.07, weight: 0.5

      ASP38    H -   LEU36    H    d: 4.03 +/- 0.07, weight: 0.5

ref_spec: eng, ref_peak: 161, id: 160, d: 2.96, u: 3.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38    H -   ASP38  HB3    d: 3.43 +/- 0.02, weight: 0.5

      ASP38    H -   ASP38  HB3    d: 3.43 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 162, id: 161, d: 2.33, u: 2.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33    H -   LEU34    H    d: 2.63 +/- 0.03, weight: 0.5

      ASN33    H -   LEU34    H    d: 2.62 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 163, id: 162, d: 2.39, u: 2.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LEU7    H -    LEU7   HA    d: 2.62 +/- 0.32, weight: 0.5

       LEU7    H -    LEU7   HA    d: 2.62 +/- 0.32, weight: 0.5

ref_spec: eng, ref_peak: 164, id: 163, d: 4.54, u: 4.80, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LEU7    H -    PRO4  HD2    d: 4.84 +/- 0.79, weight: 0.6

       LEU7    H -    PRO4  HD2    d: 5.23 +/- 0.85, weight: 0.4

ref_spec: eng, ref_peak: 165, id: 164, d: 3.27, u: 3.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33    H -   ASN33  HB3    d: 3.64 +/- 0.13, weight: 0.5

      ASN33    H -   ASN33  HB3    d: 3.64 +/- 0.13, weight: 0.5

ref_spec: eng, ref_peak: 166, id: 165, d: 2.85, u: 3.23, u_viol: 0.35, %_viol: 40.0, viol: no, reliable: no, a_type: A
       LEU7    H -    LYS6  HB2    d: 3.34 +/- 0.96, weight: 0.4
       LEU7    H -    LYS6  HB3

       LEU7    H -    LYS6  HB2    d: 3.34 +/- 0.96, weight: 0.4
       LEU7    H -    LYS6  HB3

      ASN33    H -   LEU34   HG    d: 4.09 +/- 0.05, weight: 0.1

ref_spec: eng, ref_peak: 167, id: 166, d: 3.35, u: 3.62, u_viol: 0.05, %_viol: 10.0, viol: no, reliable: no, a_type: A
       LEU7    H -    LYS6  HG3    d: 4.04 +/- 0.36, weight: 0.5

       LEU7    H -    LYS6  HG3    d: 4.09 +/- 0.51, weight: 0.5

ref_spec: eng, ref_peak: 168, id: 167, d: 4.24, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LEU7    H -    LEU7 HD21    d: 4.28 +/- 1.01, weight: 0.5
       LEU7    H -    LEU7 HD22
       LEU7    H -    LEU7 HD23

       LEU7    H -    LEU7 HD21    d: 4.28 +/- 1.01, weight: 0.5
       LEU7    H -    LEU7 HD22
       LEU7    H -    LEU7 HD23

ref_spec: eng, ref_peak: 169, id: 168, d: 4.26, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LEU7    H -    LEU7 HD11    d: 4.81 +/- 0.65, weight: 0.5
       LEU7    H -    LEU7 HD12
       LEU7    H -    LEU7 HD13

       LEU7    H -    LEU7 HD11    d: 4.81 +/- 0.65, weight: 0.5
       LEU7    H -    LEU7 HD12
       LEU7    H -    LEU7 HD13

ref_spec: eng, ref_peak: 170, id: 169, d: 4.19, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24 HH11 -   ASP23    H    d: 4.19 +/- 0.10, weight: 0.5
      ARG24 HH12 -   ASP23    H

      ARG24 HH11 -   ASP23    H    d: 4.19 +/- 0.10, weight: 0.5
      ARG24 HH12 -   ASP23    H

ref_spec: eng, ref_peak: 171, id: 170, d: 2.49, u: 2.91, u_viol: 0.27, %_viol: 15.0, viol: no, reliable: no, a_type: A
      ARG24 HH11 -   GLU20   HA    d: 2.39 +/- 0.24, weight: 0.5
      ARG24 HH12 -   GLU20   HA

      ARG24 HH11 -   GLU20   HA    d: 2.39 +/- 0.24, weight: 0.5
      ARG24 HH12 -   GLU20   HA

ref_spec: eng, ref_peak: 172, id: 171, d: 2.26, u: 5.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24 HH11 -   ARG24  HD3    d: 2.59 +/- 0.33, weight: 0.5
      ARG24 HH12 -   ARG24  HD3

      ARG24 HH11 -   ARG24  HD3    d: 2.60 +/- 0.28, weight: 0.5
      ARG24 HH12 -   ARG24  HD3

ref_spec: eng, ref_peak: 173, id: 172, d: 2.25, u: 4.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24 HH11 -   ARG24  HD2    d: 2.58 +/- 0.34, weight: 0.5
      ARG24 HH12 -   ARG24  HD2

      ARG24 HH11 -   ARG24  HD2    d: 2.60 +/- 0.28, weight: 0.5
      ARG24 HH12 -   ARG24  HD2

ref_spec: eng, ref_peak: 174, id: 173, d: 4.32, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HE1 -   HIS22  HB2    d: 5.01 +/- 0.23, weight: 0.4

      HIS22  HE1 -   HIS22  HB2    d: 5.09 +/- 0.22, weight: 0.4

      ARG24 HH11 -   HIS22  HB2    d: 6.29 +/- 0.38, weight: 0.1
      ARG24 HH12 -   HIS22  HB2

ref_spec: eng, ref_peak: 175, id: 174, d: 2.48, u: 3.36, u_viol: 0.14, %_viol: 5.0, viol: no, reliable: no, a_type: A
      ARG24 HH11 -   ASP23  HB2    d: 3.28 +/- 0.43, weight: 0.5
      ARG24 HH12 -   ASP23  HB2

      ARG24 HH11 -   ASP23  HB2    d: 3.27 +/- 0.44, weight: 0.5
      ARG24 HH12 -   ASP23  HB2

ref_spec: eng, ref_peak: 176, id: 175, d: 2.40, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50    H -   ASP49    H    d: 2.56 +/- 0.02, weight: 0.5

      ASN50    H -   ASP49    H    d: 2.56 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 177, id: 176, d: 2.20, u: 4.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50    H -   HIS51    H    d: 2.36 +/- 0.02, weight: 0.5

      ASN50    H -   HIS51    H    d: 2.35 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 178, id: 177, d: 2.56, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50    H -   ASN50   HA    d: 2.88 +/- 0.00, weight: 0.5

      ASN50    H -   ASN50   HA    d: 2.88 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 179, id: 178, d: 3.55, u: 3.96, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50    H -   LEU48   HA    d: 4.07 +/- 0.11, weight: 0.5

      ASN50    H -   LEU48   HA    d: 4.07 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 180, id: 179, d: 2.26, u: 2.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50    H -   ASN50  HB3    d: 2.94 +/- 0.61, weight: 0.5

      ASN50    H -   ASN50  HB3    d: 2.98 +/- 0.62, weight: 0.5

ref_spec: eng, ref_peak: 182, id: 181, d: 2.36, u: 3.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10    H -    ASN9   HA    d: 2.50 +/- 0.17, weight: 0.5

      GLY10    H -    ASN9   HA    d: 2.50 +/- 0.17, weight: 0.5

ref_spec: eng, ref_peak: 183, id: 182, d: 3.72, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51    H -   ASP49    H    d: 3.73 +/- 0.03, weight: 0.5

      HIS51    H -   ASP49    H    d: 3.73 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 184, id: 183, d: 2.27, u: 2.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28    H -   ALA29    H    d: 2.43 +/- 0.02, weight: 0.5

      ILE28    H -   ALA29    H    d: 2.43 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 185, id: 184, d: 2.07, u: 2.30, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51    H -   ASP52    H    d: 2.63 +/- 0.02, weight: 0.5

      HIS51    H -   ASP52    H    d: 2.63 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 186, id: 185, d: 3.10, u: 3.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51    H -   ASN50   HA    d: 3.38 +/- 0.02, weight: 0.5

      HIS51    H -   ASN50   HA    d: 3.38 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 187, id: 186, d: 2.58, u: 3.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51    H -   HIS51   HA    d: 2.91 +/- 0.00, weight: 0.5

      HIS51    H -   HIS51   HA    d: 2.91 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 188, id: 187, d: 3.31, u: 3.33, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28    H -   ARG24   HA    d: 4.46 +/- 0.03, weight: 0.2

      ILE28    H -   MET26   HA    d: 4.13 +/- 0.07, weight: 0.3

      ILE28    H -   MET26   HA    d: 4.13 +/- 0.07, weight: 0.3

ref_spec: eng, ref_peak: 189, id: 188, d: 2.48, u: 2.99, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51    H -   HIS51  HB2    d: 3.34 +/- 0.09, weight: 0.3

      ILE28    H -   GLU27  HG2    d: 3.95 +/- 0.04, weight: 0.1
      ILE28    H -   GLU27  HG3

      HIS51    H -   HIS51  HB2    d: 3.34 +/- 0.09, weight: 0.3

      ILE28    H -   GLU27  HG2    d: 3.95 +/- 0.04, weight: 0.1
      ILE28    H -   GLU27  HG3

ref_spec: eng, ref_peak: 190, id: 189, d: 3.16, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51    H -   ASN50  HB2    d: 3.68 +/- 0.44, weight: 0.5

      HIS51    H -   ASN50  HB2    d: 3.63 +/- 0.43, weight: 0.5

ref_spec: eng, ref_peak: 191, id: 190, d: 2.51, u: 2.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28    H -   ILE28   HA    d: 2.84 +/- 0.00, weight: 0.5

      ILE28    H -   ILE28   HA    d: 2.84 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 192, id: 191, d: 2.22, u: 3.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28    H -   GLU27  HB3    d: 3.20 +/- 0.67, weight: 0.5

      ILE28    H -   GLU27  HB3    d: 3.20 +/- 0.66, weight: 0.5

ref_spec: eng, ref_peak: 193, id: 192, d: 3.92, u: 4.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28    H -   ILE28 HG21    d: 4.44 +/- 0.06, weight: 0.3
      ILE28    H -   ILE28 HG22
      ILE28    H -   ILE28 HG23

      HIS51  HE1 -   ILE28 HG21    d: 5.46 +/- 0.53, weight: 0.1
      HIS51  HE1 -   ILE28 HG22
      HIS51  HE1 -   ILE28 HG23

      ILE28    H -   ILE28 HG21    d: 4.44 +/- 0.06, weight: 0.3
      ILE28    H -   ILE28 HG22
      ILE28    H -   ILE28 HG23

      HIS51  HE1 -   ILE28 HG21    d: 5.46 +/- 0.53, weight: 0.1
      HIS51  HE1 -   ILE28 HG22
      HIS51  HE1 -   ILE28 HG23

ref_spec: eng, ref_peak: 194, id: 193, d: 3.54, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28    H -   LEU25 HD11    d: 5.33 +/- 0.38, weight: 0.1
      ILE28    H -   LEU25 HD12
      ILE28    H -   LEU25 HD13

      ILE28    H -   ILE28 HD11    d: 4.01 +/- 0.35, weight: 0.3
      ILE28    H -   ILE28 HD12
      ILE28    H -   ILE28 HD13

      ILE28    H -   LEU25 HD11    d: 5.34 +/- 0.37, weight: 0.1
      ILE28    H -   LEU25 HD12
      ILE28    H -   LEU25 HD13

      ILE28    H -   ILE28 HD11    d: 4.01 +/- 0.35, weight: 0.3
      ILE28    H -   ILE28 HD12
      ILE28    H -   ILE28 HD13

ref_spec: eng, ref_peak: 195, id: 194, d: 2.56, u: 2.62, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42    H -   ARG41    H    d: 2.94 +/- 0.09, weight: 0.5

      LEU42    H -   ARG41    H    d: 2.94 +/- 0.09, weight: 0.5

ref_spec: eng, ref_peak: 196, id: 195, d: 2.23, u: 3.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42    H -   ALA43    H    d: 2.51 +/- 0.06, weight: 0.5

      LEU42    H -   ALA43    H    d: 2.51 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 197, id: 196, d: 3.38, u: 3.75, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42    H -   VAL39   HA    d: 3.70 +/- 0.08, weight: 0.5

      LEU42    H -   VAL39   HA    d: 3.70 +/- 0.08, weight: 0.5

ref_spec: eng, ref_peak: 198, id: 197, d: 2.14, u: 2.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42    H -   LEU42  HB3    d: 3.17 +/- 0.48, weight: 0.4

      LEU42    H -   LEU42  HB3    d: 3.00 +/- 0.50, weight: 0.6

ref_spec: eng, ref_peak: 199, id: 198, d: 2.22, u: 2.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42    H -   LEU42   HG    d: 2.15 +/- 0.61, weight: 0.5

      LEU42    H -   LEU42   HG    d: 2.15 +/- 0.61, weight: 0.5

ref_spec: eng, ref_peak: 200, id: 199, d: 5.77, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42    H -   VAL39 HG21    d: 6.48 +/- 0.06, weight: 0.5
      LEU42    H -   VAL39 HG22
      LEU42    H -   VAL39 HG23

      LEU42    H -   VAL39 HG21    d: 6.47 +/- 0.06, weight: 0.5
      LEU42    H -   VAL39 HG22
      LEU42    H -   VAL39 HG23

ref_spec: eng, ref_peak: 201, id: 200, d: 3.77, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42    H -   LEU42 HD11    d: 4.22 +/- 0.28, weight: 0.4
      LEU42    H -   LEU42 HD12
      LEU42    H -   LEU42 HD13

      LEU42    H -   LEU42 HD11    d: 4.22 +/- 0.28, weight: 0.4
      LEU42    H -   LEU42 HD12
      LEU42    H -   LEU42 HD13

ref_spec: eng, ref_peak: 202, id: 201, d: 3.56, u: 3.63, u_viol: 0.05, %_viol: 5.0, viol: no, reliable: no, a_type: A
      GLN19 HE22 -   ASP23    H    d: 3.38 +/- 0.36, weight: 0.5

      GLN19 HE22 -   ASP23    H    d: 3.40 +/- 0.37, weight: 0.5

ref_spec: eng, ref_peak: 203, id: 202, d: 4.71, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19 HE22 -   ARG24 HH11    d: 3.46 +/- 0.30, weight: 0.5
      GLN19 HE22 -   ARG24 HH12

      GLN19 HE22 -   ARG24 HH11    d: 3.45 +/- 0.30, weight: 0.5
      GLN19 HE22 -   ARG24 HH12

ref_spec: eng, ref_peak: 204, id: 203, d: 1.54, u: 2.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19 HE22 -   GLN19 HE21    d: 1.73 +/- 0.00, weight: 0.5

      GLN19 HE22 -   GLN19 HE21    d: 1.73 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 205, id: 204, d: 5.85, u: 6.00, u_viol: 0.73, %_viol: 35.0, viol: no, reliable: no, a_type: A
      GLN19 HE22 -   ILE11 HD11    d: 6.61 +/- 0.40, weight: 0.5
      GLN19 HE22 -   ILE11 HD12
      GLN19 HE22 -   ILE11 HD13

      GLN19 HE22 -   ILE11 HD11    d: 6.63 +/- 0.40, weight: 0.5
      GLN19 HE22 -   ILE11 HD12
      GLN19 HE22 -   ILE11 HD13

ref_spec: eng, ref_peak: 206, id: 205, d: 2.26, u: 3.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   ILE44    H    d: 2.62 +/- 0.03, weight: 0.5

      ALA43    H -   ILE44    H    d: 2.62 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 207, id: 206, d: 3.17, u: 3.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24    H -   ASP23   HA    d: 3.59 +/- 0.00, weight: 0.5

      ARG24    H -   ASP23   HA    d: 3.59 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 208, id: 207, d: 2.56, u: 4.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24    H -   ARG24   HA    d: 2.87 +/- 0.00, weight: 0.5

      ARG24    H -   ARG24   HA    d: 2.87 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 209, id: 208, d: 3.04, u: 3.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   LEU42   HA    d: 3.44 +/- 0.01, weight: 0.5

      ALA43    H -   LEU42   HA    d: 3.44 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 210, id: 209, d: 3.00, u: 3.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   CYS40   HA    d: 3.37 +/- 0.02, weight: 0.5

      ALA43    H -   CYS40   HA    d: 3.38 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 211, id: 210, d: 3.75, u: 4.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   VAL39   HA    d: 3.95 +/- 0.04, weight: 0.5

      ALA43    H -   VAL39   HA    d: 3.95 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 212, id: 211, d: 4.64, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   ARG41  HB3    d: 5.06 +/- 0.39, weight: 0.5

      ALA43    H -   ARG41  HB3    d: 5.13 +/- 0.38, weight: 0.5

ref_spec: eng, ref_peak: 213, id: 212, d: 2.75, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   LEU42  HB3    d: 3.62 +/- 0.56, weight: 0.4

      ALA43    H -   LEU42  HB3    d: 3.40 +/- 0.54, weight: 0.6

ref_spec: eng, ref_peak: 214, id: 213, d: 3.60, u: 4.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   ILE44 HG13    d: 4.36 +/- 0.11, weight: 0.5

      ALA43    H -   ILE44 HG13    d: 4.40 +/- 0.19, weight: 0.5

ref_spec: eng, ref_peak: 215, id: 214, d: 3.49, u: 3.48, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   LEU42  HB2    d: 3.40 +/- 0.53, weight: 0.6

      ALA43    H -   LEU42  HB2    d: 3.62 +/- 0.55, weight: 0.4

ref_spec: eng, ref_peak: 216, id: 215, d: 2.39, u: 2.82, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   ALA43  HB1    d: 2.70 +/- 0.01, weight: 0.5
      ALA43    H -   ALA43  HB2
      ALA43    H -   ALA43  HB3

      ALA43    H -   ALA43  HB1    d: 2.70 +/- 0.01, weight: 0.5
      ALA43    H -   ALA43  HB2
      ALA43    H -   ALA43  HB3

ref_spec: eng, ref_peak: 217, id: 216, d: 4.06, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   LEU42 HD11    d: 5.48 +/- 0.11, weight: 0.2
      ALA43    H -   LEU42 HD12
      ALA43    H -   LEU42 HD13

      ALA43    H -   ILE44 HG21    d: 5.07 +/- 0.37, weight: 0.3
      ALA43    H -   ILE44 HG22
      ALA43    H -   ILE44 HG23

      ALA43    H -   ILE44 HG21    d: 5.06 +/- 0.37, weight: 0.3
      ALA43    H -   ILE44 HG22
      ALA43    H -   ILE44 HG23

      ALA43    H -   LEU42 HD11    d: 5.48 +/- 0.11, weight: 0.2
      ALA43    H -   LEU42 HD12
      ALA43    H -   LEU42 HD13

ref_spec: eng, ref_peak: 218, id: 217, d: 5.38, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24    H -   LEU25 HD11    d: 7.71 +/- 0.16, weight: 0.1
      ARG24    H -   LEU25 HD12
      ARG24    H -   LEU25 HD13

      ARG24    H -   LEU48 HD21    d: 8.33 +/- 0.45, weight: 0.1
      ARG24    H -   LEU48 HD22
      ARG24    H -   LEU48 HD23

      ALA43    H -   LEU25 HD11    d: 7.57 +/- 0.16, weight: 0.2
      ALA43    H -   LEU25 HD12
      ALA43    H -   LEU25 HD13

      ARG24    H -   LEU48 HD21    d: 8.33 +/- 0.44, weight: 0.1
      ARG24    H -   LEU48 HD22
      ARG24    H -   LEU48 HD23

      ARG24    H -   LEU25 HD11    d: 7.71 +/- 0.16, weight: 0.1
      ARG24    H -   LEU25 HD12
      ARG24    H -   LEU25 HD13

      ALA43    H -   LEU25 HD11    d: 7.56 +/- 0.16, weight: 0.2
      ALA43    H -   LEU25 HD12
      ALA43    H -   LEU25 HD13

ref_spec: eng, ref_peak: 220, id: 219, d: 3.55, u: 3.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   ASP49    H    d: 3.63 +/- 0.07, weight: 0.5

      TYR47    H -   ASP49    H    d: 3.63 +/- 0.07, weight: 0.5

ref_spec: eng, ref_peak: 221, id: 220, d: 2.30, u: 2.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   LEU48    H    d: 2.69 +/- 0.02, weight: 0.4

      TYR47    H -   LEU48    H    d: 2.69 +/- 0.02, weight: 0.4

ref_spec: eng, ref_peak: 222, id: 221, d: 2.14, u: 2.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   GLU46    H    d: 2.33 +/- 0.03, weight: 0.5

      TYR47    H -   GLU46    H    d: 2.33 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 223, id: 222, d: 3.87, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   ILE44    H    d: 4.45 +/- 0.05, weight: 0.4

      TYR47    H -   ILE44    H    d: 4.45 +/- 0.05, weight: 0.4

ref_spec: eng, ref_peak: 224, id: 223, d: 2.53, u: 3.92, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27    H -   ILE28    H    d: 2.78 +/- 0.03, weight: 0.5

      GLU27    H -   ILE28    H    d: 2.78 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 225, id: 224, d: 4.91, u: 5.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41 HH11 -   TRP21  HZ3    d: 6.01 +/- 0.39, weight: 0.3
      ARG41 HH12 -   TRP21  HZ3

      ARG41 HH21 -   TRP21  HZ3    d: 7.52 +/- 1.03, weight: 0.1
      ARG41 HH22 -   TRP21  HZ3

      ARG41 HH11 -   TRP21  HZ3    d: 6.00 +/- 0.39, weight: 0.3
      ARG41 HH12 -   TRP21  HZ3

      ARG41 HH21 -   TRP21  HZ3    d: 7.52 +/- 1.03, weight: 0.1
      ARG41 HH22 -   TRP21  HZ3

ref_spec: eng, ref_peak: 226, id: 225, d: 3.95, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   TYR47  HD1    d: 4.64 +/- 0.01, weight: 0.4
      TYR47    H -   TYR47  HD2

      TYR47    H -   TYR47  HD1    d: 4.64 +/- 0.01, weight: 0.4
      TYR47    H -   TYR47  HD2

ref_spec: eng, ref_peak: 227, id: 226, d: 5.49, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   TYR47  HE1    d: 6.92 +/- 0.01, weight: 0.3
      TYR47    H -   TYR47  HE2

      TYR47    H -   TYR47  HE1    d: 7.69 +/- 0.26, weight: 0.2
      TYR47    H -   TYR47  HE2

      TYR47    H -   TYR47  HE1    d: 7.68 +/- 0.26, weight: 0.2
      TYR47    H -   TYR47  HE2

      TYR47    H -   TYR47  HE1    d: 6.92 +/- 0.01, weight: 0.3
      TYR47    H -   TYR47  HE2

ref_spec: eng, ref_peak: 228, id: 227, d: 2.50, u: 3.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27    H -   GLU27   HA    d: 2.77 +/- 0.00, weight: 0.5

      GLU27    H -   GLU27   HA    d: 2.77 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 229, id: 228, d: 3.04, u: 3.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   GLU46   HA    d: 3.49 +/- 0.01, weight: 0.5

      TYR47    H -   GLU46   HA    d: 3.49 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 230, id: 229, d: 3.63, u: 3.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   ALA43   HA    d: 4.34 +/- 0.08, weight: 0.3

      TYR47    H -   ALA43   HA    d: 4.88 +/- 0.08, weight: 0.2

      TYR47    H -   ALA43   HA    d: 4.34 +/- 0.08, weight: 0.3

ref_spec: eng, ref_peak: 231, id: 230, d: 4.40, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27    H -   MET26  HG3    d: 4.09 +/- 0.22, weight: 0.5

      GLU27    H -   MET26  HG3    d: 4.17 +/- 0.34, weight: 0.5

ref_spec: eng, ref_peak: 232, id: 231, d: 2.89, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   GLU46  HB2    d: 3.16 +/- 0.06, weight: 0.5
      TYR47    H -   GLU46  HB3

      TYR47    H -   GLU46  HB2    d: 3.16 +/- 0.06, weight: 0.5
      TYR47    H -   GLU46  HB3

ref_spec: eng, ref_peak: 233, id: 232, d: 2.55, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27    H -   MET26  HB2    d: 2.81 +/- 0.03, weight: 0.5

      GLU27    H -   MET26  HB2    d: 2.81 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 234, id: 233, d: 5.62, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27    H -   ARG24  HG2    d: 6.34 +/- 0.08, weight: 0.5
      GLU27    H -   ARG24  HG3

      GLU27    H -   ARG24  HG2    d: 6.34 +/- 0.08, weight: 0.5
      GLU27    H -   ARG24  HG3

ref_spec: eng, ref_peak: 235, id: 234, d: 4.47, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27    H -   ILE28   HB    d: 5.43 +/- 0.14, weight: 0.5

      GLU27    H -   ILE28   HB    d: 5.43 +/- 0.14, weight: 0.5

ref_spec: eng, ref_peak: 236, id: 235, d: 4.84, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   ILE44 HG12    d: 5.59 +/- 0.14, weight: 0.4

      ARG41 HH11 -   ILE44 HG12    d: 8.05 +/- 0.68, weight: 0.0
      ARG41 HH12 -   ILE44 HG12

      TYR47    H -   ILE44 HG12    d: 5.57 +/- 0.04, weight: 0.4

ref_spec: eng, ref_peak: 237, id: 236, d: 3.79, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   ALA43  HB1    d: 4.25 +/- 0.08, weight: 0.4
      TYR47    H -   ALA43  HB2
      TYR47    H -   ALA43  HB3

      TYR47    H -   ALA43  HB1    d: 4.25 +/- 0.08, weight: 0.4
      TYR47    H -   ALA43  HB2
      TYR47    H -   ALA43  HB3

ref_spec: eng, ref_peak: 238, id: 237, d: 2.86, u: 3.07, u_viol: 0.06, %_viol: 10.0, viol: no, reliable: no, a_type: A
      ASN50 HD22 -   ASN50    H    d: 3.33 +/- 0.73, weight: 0.6

      ASN50 HD22 -   ASN50    H    d: 3.54 +/- 0.53, weight: 0.4

ref_spec: eng, ref_peak: 239, id: 238, d: 1.50, u: 2.53, u_viol: 0.00, %_viol: 15.0, viol: no, reliable: no, a_type: A
      ASN50 HD22 -   ASN50 HD21    d: 1.73 +/- 0.00, weight: 0.5

      ASN50 HD22 -   ASN50 HD21    d: 1.73 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 240, id: 239, d: 3.34, u: 5.17, u_viol: 0.00, %_viol: 5.0, viol: no, reliable: no, a_type: A
      ASN50 HD22 -   ASN50   HA    d: 4.10 +/- 0.78, weight: 0.5

      ASN50 HD22 -   ASN50   HA    d: 4.21 +/- 0.53, weight: 0.4

ref_spec: eng, ref_peak: 241, id: 240, d: 2.76, u: 4.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50 HD22 -   TYR47   HA    d: 3.40 +/- 0.90, weight: 0.5

      ASN50 HD22 -   TYR47   HA    d: 3.57 +/- 1.03, weight: 0.4

ref_spec: eng, ref_peak: 242, id: 241, d: 4.14, u: 6.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50 HD22 -   GLU46   HA    d: 4.73 +/- 0.83, weight: 0.4

      ASN50 HD22 -   GLU46   HA    d: 4.70 +/- 0.57, weight: 0.4

ref_spec: eng, ref_peak: 243, id: 242, d: 4.03, u: 4.06, u_viol: 0.38, %_viol: 35.0, viol: no, reliable: no, a_type: A
      ASN50 HD22 -   GLU46  HB2    d: 5.24 +/- 0.84, weight: 0.3
      ASN50 HD22 -   GLU46  HB3

      ASN50 HD22 -   GLU46  HB2    d: 5.64 +/- 0.95, weight: 0.2
      ASN50 HD22 -   GLU46  HB3

      ASN50 HD22 -   GLU46  HB2    d: 5.08 +/- 0.69, weight: 0.3
      ASN50 HD22 -   GLU46  HB3

ref_spec: eng, ref_peak: 244, id: 243, d: 3.33, u: 4.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33 HD22 -   ASN33   HA    d: 3.99 +/- 0.66, weight: 0.5

      ASN33 HD22 -   ASN33   HA    d: 3.97 +/- 0.69, weight: 0.5

ref_spec: eng, ref_peak: 245, id: 244, d: 2.72, u: 5.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54 HE22 -   GLN54  HG2    d: 3.41 +/- 0.55, weight: 0.4
      GLN54 HE22 -   GLN54  HG3

      GLN54 HE22 -   GLN54  HG2    d: 3.26 +/- 0.56, weight: 0.6
      GLN54 HE22 -   GLN54  HG3

ref_spec: eng, ref_peak: 246, id: 245, d: 3.60, u: 5.79, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54 HE22 -   GLN54  HB3    d: 3.94 +/- 0.71, weight: 0.6

      GLN54 HE22 -   GLN54  HB3    d: 4.28 +/- 0.57, weight: 0.4

ref_spec: eng, ref_peak: 247, id: 246, d: 3.69, u: 4.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE3 -   ILE44 HG13    d: 3.62 +/- 0.27, weight: 0.4

      TRP21  HE3 -   ILE44 HG13    d: 3.60 +/- 0.30, weight: 0.4

ref_spec: eng, ref_peak: 248, id: 247, d: 2.60, u: 4.28, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE3 -   ILE17 HG21    d: 3.59 +/- 0.12, weight: 0.5
      TRP21  HE3 -   ILE17 HG22
      TRP21  HE3 -   ILE17 HG23

      TRP21  HE3 -   ILE17 HG21    d: 3.59 +/- 0.12, weight: 0.5
      TRP21  HE3 -   ILE17 HG22
      TRP21  HE3 -   ILE17 HG23

ref_spec: eng, ref_peak: 249, id: 248, d: 3.46, u: 5.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE3 -   LEU25 HD11    d: 5.26 +/- 0.44, weight: 0.3
      TRP21  HE3 -   LEU25 HD12
      TRP21  HE3 -   LEU25 HD13

      TRP21  HE3 -   LEU36 HD11    d: 6.12 +/- 0.63, weight: 0.1
      TRP21  HE3 -   LEU36 HD12
      TRP21  HE3 -   LEU36 HD13

      TRP21  HE3 -   LEU25 HD11    d: 5.26 +/- 0.44, weight: 0.3
      TRP21  HE3 -   LEU25 HD12
      TRP21  HE3 -   LEU25 HD13

      TRP21  HE3 -   LEU36 HD11    d: 6.12 +/- 0.63, weight: 0.1
      TRP21  HE3 -   LEU36 HD12
      TRP21  HE3 -   LEU36 HD13

ref_spec: eng, ref_peak: 250, id: 249, d: 4.31, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3 HH11 -    ARG3  HG2    d: 4.79 +/- 0.29, weight: 0.5
       ARG3 HH11 -    ARG3  HG3
       ARG3 HH12 -    ARG3  HG2
       ARG3 HH12 -    ARG3  HG3

       ARG3 HH11 -    ARG3  HG2    d: 4.80 +/- 0.29, weight: 0.5
       ARG3 HH11 -    ARG3  HG3
       ARG3 HH12 -    ARG3  HG2
       ARG3 HH12 -    ARG3  HG3

ref_spec: eng, ref_peak: 251, id: 250, d: 2.32, u: 3.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21    H -   GLU20    H    d: 2.66 +/- 0.03, weight: 0.5

      TRP21    H -   GLU20    H    d: 2.67 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 252, id: 251, d: 3.24, u: 4.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21    H -   ASP23    H    d: 4.15 +/- 0.11, weight: 0.5

      TRP21    H -   ASP23    H    d: 4.16 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 253, id: 252, d: 3.85, u: 4.06, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   LEU42    H    d: 3.93 +/- 0.12, weight: 0.5

      TRP21  HH2 -   LEU42    H    d: 3.93 +/- 0.13, weight: 0.5

ref_spec: eng, ref_peak: 254, id: 253, d: 3.71, u: 3.69, u_viol: 0.15, %_viol: 30.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   ARG41 HH11    d: 3.89 +/- 0.55, weight: 0.4
      TRP21  HH2 -   ARG41 HH12

      TRP21  HH2 -   ARG41 HH11    d: 3.89 +/- 0.55, weight: 0.4
      TRP21  HH2 -   ARG41 HH12

ref_spec: eng, ref_peak: 255, id: 254, d: 2.18, u: 2.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   TRP21  HZ2    d: 2.46 +/- 0.01, weight: 0.5

      TRP21  HH2 -   TRP21  HZ2    d: 2.46 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 256, id: 255, d: 2.15, u: 3.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   TRP21  HZ3    d: 2.43 +/- 0.00, weight: 0.5

      TRP21  HH2 -   TRP21  HZ3    d: 2.43 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 257, id: 256, d: 2.55, u: 3.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21    H -   TRP21   HA    d: 2.88 +/- 0.01, weight: 0.5

      TRP21    H -   TRP21   HA    d: 2.88 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 258, id: 257, d: 3.06, u: 3.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21    H -   GLU20   HA    d: 3.47 +/- 0.02, weight: 0.5

      TRP21    H -   GLU20   HA    d: 3.47 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 259, id: 258, d: 5.93, u: 6.00, u_viol: 0.04, %_viol: 5.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   LEU48 HD11    d: 6.84 +/- 0.28, weight: 0.3
      TRP21  HH2 -   LEU48 HD12
      TRP21  HH2 -   LEU48 HD13

      TRP21    H -   LEU48 HD11    d: 7.26 +/- 0.28, weight: 0.2
      TRP21    H -   LEU48 HD12
      TRP21    H -   LEU48 HD13

      TRP21  HH2 -   LEU48 HD11    d: 6.84 +/- 0.28, weight: 0.3
      TRP21  HH2 -   LEU48 HD12
      TRP21  HH2 -   LEU48 HD13

      TRP21    H -   LEU48 HD11    d: 7.25 +/- 0.28, weight: 0.2
      TRP21    H -   LEU48 HD12
      TRP21    H -   LEU48 HD13

ref_spec: eng, ref_peak: 260, id: 259, d: 3.02, u: 3.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HD1 -   TRP21  HB3    d: 3.58 +/- 0.10, weight: 0.5

      TRP21  HD1 -   TRP21  HB3    d: 3.60 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 261, id: 260, d: 3.28, u: 4.03, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HD1 -   TRP21  HB2    d: 3.67 +/- 0.10, weight: 0.5

      TRP21  HD1 -   TRP21  HB2    d: 3.65 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 262, id: 261, d: 5.14, u: 5.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HD1 -   ARG24  HB2    d: 5.25 +/- 0.22, weight: 0.5
      TRP21  HD1 -   ARG24  HB3

      TRP21  HD1 -   ARG24  HB2    d: 5.25 +/- 0.22, weight: 0.5
      TRP21  HD1 -   ARG24  HB3

ref_spec: eng, ref_peak: 263, id: 262, d: 4.76, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HD1 -   ILE17   HB    d: 5.79 +/- 0.07, weight: 0.5

      TRP21  HD1 -   ILE17   HB    d: 5.79 +/- 0.07, weight: 0.5

ref_spec: eng, ref_peak: 264, id: 263, d: 6.51, u: 7.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HD1 -   ILE17 HG21    d: 8.12 +/- 0.07, weight: 0.4
      TRP21  HD1 -   ILE17 HG22
      TRP21  HD1 -   ILE17 HG23

      TRP21  HD1 -   ILE17 HG21    d: 8.12 +/- 0.07, weight: 0.4
      TRP21  HD1 -   ILE17 HG22
      TRP21  HD1 -   ILE17 HG23

ref_spec: eng, ref_peak: 265, id: 264, d: 4.88, u: 5.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HD1 -   LEU25   HG    d: 5.47 +/- 0.25, weight: 0.4

      TRP21  HD1 -   LEU25   HG    d: 5.47 +/- 0.25, weight: 0.4

ref_spec: eng, ref_peak: 267, id: 266, d: 5.68, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   ILE44   HA    d: 5.90 +/- 0.11, weight: 0.5

      TRP21  HZ3 -   ILE44   HA    d: 5.90 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 268, id: 267, d: 4.43, u: 4.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   TRP21  HB2    d: 5.03 +/- 0.14, weight: 0.5

      TRP21  HZ3 -   TRP21  HB2    d: 5.06 +/- 0.15, weight: 0.5

ref_spec: eng, ref_peak: 269, id: 268, d: 3.20, u: 5.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   ILE17   HB    d: 2.74 +/- 0.10, weight: 0.5

      TRP21  HZ3 -   ILE17   HB    d: 2.74 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 270, id: 269, d: 2.31, u: 4.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   ILE17 HG21    d: 3.06 +/- 0.21, weight: 0.5
      TRP21  HZ3 -   ILE17 HG22
      TRP21  HZ3 -   ILE17 HG23

      TRP21  HZ3 -   ILE17 HG21    d: 3.05 +/- 0.20, weight: 0.5
      TRP21  HZ3 -   ILE17 HG22
      TRP21  HZ3 -   ILE17 HG23

ref_spec: eng, ref_peak: 271, id: 270, d: 4.21, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   LEU25   HG    d: 4.93 +/- 0.27, weight: 0.3

      TRP21  HZ3 -   ILE44 HG21    d: 5.20 +/- 0.23, weight: 0.2
      TRP21  HZ3 -   ILE44 HG22
      TRP21  HZ3 -   ILE44 HG23

      TRP21  HZ3 -   ILE44 HG21    d: 5.20 +/- 0.23, weight: 0.2
      TRP21  HZ3 -   ILE44 HG22
      TRP21  HZ3 -   ILE44 HG23

      TRP21  HZ3 -   LEU25   HG    d: 4.93 +/- 0.27, weight: 0.3

ref_spec: eng, ref_peak: 272, id: 271, d: 2.51, u: 3.93, u_viol: 0.14, %_viol: 5.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   ILE44 HD11    d: 2.82 +/- 0.19, weight: 0.5
      TRP21  HZ3 -   ILE44 HD12
      TRP21  HZ3 -   ILE44 HD13

      TRP21  HZ3 -   ILE44 HD11    d: 2.82 +/- 0.19, weight: 0.5
      TRP21  HZ3 -   ILE44 HD12
      TRP21  HZ3 -   ILE44 HD13

ref_spec: eng, ref_peak: 273, id: 272, d: 6.85, u: 8.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   LEU48 HD11    d: 7.26 +/- 0.17, weight: 0.5
      TRP21  HZ3 -   LEU48 HD12
      TRP21  HZ3 -   LEU48 HD13

      TRP21  HZ3 -   LEU48 HD11    d: 7.26 +/- 0.16, weight: 0.5
      TRP21  HZ3 -   LEU48 HD12
      TRP21  HZ3 -   LEU48 HD13

ref_spec: eng, ref_peak: 274, id: 273, d: 2.80, u: 3.46, u_viol: 0.35, %_viol: 5.0, viol: no, reliable: no, a_type: A
       TYR5  HD1 -    TYR5    H    d: 3.72 +/- 0.63, weight: 0.5
       TYR5  HD2 -    TYR5    H

       TYR5  HD1 -    TYR5    H    d: 3.72 +/- 0.63, weight: 0.5
       TYR5  HD2 -    TYR5    H

ref_spec: eng, ref_peak: 275, id: 274, d: 2.45, u: 3.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5  HD1 -    TYR5  HE1    d: 2.75 +/- 0.00, weight: 0.5
       TYR5  HD1 -    TYR5  HE2
       TYR5  HD2 -    TYR5  HE1
       TYR5  HD2 -    TYR5  HE2

       TYR5  HD1 -    TYR5  HE1    d: 2.75 +/- 0.00, weight: 0.5
       TYR5  HD1 -    TYR5  HE2
       TYR5  HD2 -    TYR5  HE1
       TYR5  HD2 -    TYR5  HE2

ref_spec: eng, ref_peak: 276, id: 275, d: 2.92, u: 3.44, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50 HD21 -   ASN50    H    d: 3.54 +/- 0.53, weight: 0.4

      ASN50 HD21 -   ASN50    H    d: 3.33 +/- 0.73, weight: 0.6

ref_spec: eng, ref_peak: 277, id: 276, d: 4.09, u: 4.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50 HD21 -   GLU46   HA    d: 4.73 +/- 0.83, weight: 0.4

      ASN50 HD21 -   GLU46   HA    d: 4.70 +/- 0.57, weight: 0.4

ref_spec: eng, ref_peak: 278, id: 277, d: 3.02, u: 4.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   ILE17    H    d: 3.68 +/- 0.54, weight: 0.5
      TYR16  HD2 -   ILE17    H

      TYR16  HD1 -   ILE17    H    d: 3.68 +/- 0.54, weight: 0.5
      TYR16  HD2 -   ILE17    H

ref_spec: eng, ref_peak: 279, id: 278, d: 2.35, u: 3.34, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HD2 -   HIS22    H    d: 2.64 +/- 0.51, weight: 0.5

      HIS22  HD2 -   HIS22    H    d: 2.64 +/- 0.51, weight: 0.5

ref_spec: eng, ref_peak: 280, id: 279, d: 2.75, u: 4.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HD2 -   ILE17 HG13    d: 3.47 +/- 0.40, weight: 0.5

      HIS22  HD2 -   ILE17 HG13    d: 3.46 +/- 0.44, weight: 0.5

ref_spec: eng, ref_peak: 281, id: 280, d: 3.17, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HD2 -   ILE17 HD11    d: 4.50 +/- 0.56, weight: 0.5
      HIS22  HD2 -   ILE17 HD12
      HIS22  HD2 -   ILE17 HD13

      HIS22  HD2 -   ILE17 HD11    d: 4.50 +/- 0.56, weight: 0.5
      HIS22  HD2 -   ILE17 HD12
      HIS22  HD2 -   ILE17 HD13

ref_spec: eng, ref_peak: 282, id: 281, d: 4.41, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HD2 -   ILE11 HD11    d: 3.93 +/- 0.88, weight: 0.5
      HIS22  HD2 -   ILE11 HD12
      HIS22  HD2 -   ILE11 HD13

      HIS22  HD2 -   ILE11 HD11    d: 3.93 +/- 0.87, weight: 0.5
      HIS22  HD2 -   ILE11 HD12
      HIS22  HD2 -   ILE11 HD13

ref_spec: eng, ref_peak: 283, id: 282, d: 4.11, u: 4.47, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   LYS12    H    d: 4.12 +/- 0.38, weight: 0.5
      TYR16  HD2 -   LYS12    H

      TYR16  HD1 -   LYS12    H    d: 4.13 +/- 0.38, weight: 0.5
      TYR16  HD2 -   LYS12    H

ref_spec: eng, ref_peak: 284, id: 283, d: 2.45, u: 2.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   TYR16  HE1    d: 2.75 +/- 0.00, weight: 0.5
      TYR16  HD1 -   TYR16  HE2
      TYR16  HD2 -   TYR16  HE1
      TYR16  HD2 -   TYR16  HE2

      TYR16  HD1 -   TYR16  HE1    d: 2.75 +/- 0.00, weight: 0.5
      TYR16  HD1 -   TYR16  HE2
      TYR16  HD2 -   TYR16  HE1
      TYR16  HD2 -   TYR16  HE2

ref_spec: eng, ref_peak: 285, id: 284, d: 2.54, u: 3.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   TYR16   HA    d: 2.60 +/- 0.25, weight: 0.5
      TYR16  HD2 -   TYR16   HA

      TYR16  HD1 -   TYR16   HA    d: 2.60 +/- 0.25, weight: 0.5
      TYR16  HD2 -   TYR16   HA

ref_spec: eng, ref_peak: 286, id: 285, d: 3.76, u: 4.15, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   ILE11   HA    d: 3.34 +/- 0.49, weight: 0.5
      TYR16  HD2 -   ILE11   HA

      TYR16  HD1 -   ILE11   HA    d: 3.35 +/- 0.49, weight: 0.5
      TYR16  HD2 -   ILE11   HA

ref_spec: eng, ref_peak: 287, id: 286, d: 3.41, u: 3.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   GLY10  HA3    d: 3.95 +/- 0.42, weight: 0.5
      TYR16  HD2 -   GLY10  HA3

      TYR16  HD1 -   GLY10  HA3    d: 3.96 +/- 0.44, weight: 0.5
      TYR16  HD2 -   GLY10  HA3

ref_spec: eng, ref_peak: 288, id: 287, d: 3.71, u: 5.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   GLY10  HA2    d: 4.20 +/- 0.55, weight: 0.5
      TYR16  HD2 -   GLY10  HA2

      TYR16  HD1 -   GLY10  HA2    d: 4.20 +/- 0.53, weight: 0.5
      TYR16  HD2 -   GLY10  HA2

ref_spec: eng, ref_peak: 289, id: 288, d: 6.93, u: 8.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   PRO18  HD2    d: 7.69 +/- 0.66, weight: 0.6
      TYR16  HD2 -   PRO18  HD2

      TYR16  HD1 -   PRO18  HD2    d: 8.06 +/- 0.64, weight: 0.4
      TYR16  HD2 -   PRO18  HD2

ref_spec: eng, ref_peak: 290, id: 289, d: 4.49, u: 5.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   ILE11   HB    d: 5.07 +/- 0.22, weight: 0.4
      TYR16  HD2 -   ILE11   HB

      TYR16  HD1 -   ILE11   HB    d: 5.07 +/- 0.22, weight: 0.4
      TYR16  HD2 -   ILE11   HB

ref_spec: eng, ref_peak: 291, id: 290, d: 4.37, u: 4.43, u_viol: 0.43, %_viol: 15.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   LYS12  HB3    d: 4.91 +/- 0.73, weight: 0.5
      TYR16  HD2 -   LYS12  HB3

      TYR16  HD1 -   LYS12  HB3    d: 5.02 +/- 0.72, weight: 0.4
      TYR16  HD2 -   LYS12  HB3

ref_spec: eng, ref_peak: 292, id: 291, d: 2.57, u: 3.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51  HD2 -   HIS51    H    d: 3.78 +/- 0.22, weight: 0.3

      HIS51  HD2 -   HIS51  HE1    d: 4.24 +/- 0.00, weight: 0.2

      HIS51  HD2 -   HIS51    H    d: 3.78 +/- 0.23, weight: 0.3

ref_spec: eng, ref_peak: 293, id: 292, d: 1.54, u: 2.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54 HE21 -   GLN54 HE22    d: 1.73 +/- 0.00, weight: 0.5

      GLN54 HE21 -   GLN54 HE22    d: 1.73 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 294, id: 293, d: 3.53, u: 5.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51  HD2 -   TYR47   HA    d: 4.62 +/- 0.45, weight: 0.5

      HIS51  HD2 -   TYR47   HA    d: 4.62 +/- 0.45, weight: 0.5

ref_spec: eng, ref_peak: 295, id: 294, d: 3.29, u: 6.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51  HD2 -   LEU48   HA    d: 4.00 +/- 0.56, weight: 0.5

      HIS51  HD2 -   LEU48   HA    d: 4.00 +/- 0.56, weight: 0.5

ref_spec: eng, ref_peak: 296, id: 295, d: 2.35, u: 13.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54 HE21 -   GLN54  HG2    d: 3.01 +/- 0.61, weight: 0.4
      GLN54 HE21 -   GLN54  HG3

      GLN54 HE21 -   GLN54  HG2    d: 2.86 +/- 0.51, weight: 0.6
      GLN54 HE21 -   GLN54  HG3

ref_spec: eng, ref_peak: 297, id: 296, d: 1.54, u: 1.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33 HD21 -   ASN33 HD22    d: 1.73 +/- 0.00, weight: 0.5

      ASN33 HD21 -   ASN33 HD22    d: 1.73 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 298, id: 297, d: 2.73, u: 4.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33 HD21 -   ASN33  HB3    d: 3.30 +/- 0.65, weight: 0.5

      ASN33 HD21 -   ASN33  HB3    d: 3.34 +/- 0.60, weight: 0.5

ref_spec: eng, ref_peak: 299, id: 298, d: 2.82, u: 4.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33 HD21 -   ASN33  HB2    d: 3.17 +/- 0.50, weight: 0.5

      ASN33 HD21 -   ASN33  HB2    d: 3.18 +/- 0.51, weight: 0.5

ref_spec: eng, ref_peak: 300, id: 299, d: 3.48, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HD1 -   LEU48    H    d: 4.06 +/- 0.07, weight: 0.5
      TYR47  HD2 -   LEU48    H

      TYR47  HD1 -   LEU48    H    d: 4.06 +/- 0.07, weight: 0.5
      TYR47  HD2 -   LEU48    H

ref_spec: eng, ref_peak: 301, id: 300, d: 5.25, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HD1 -   ILE44    H    d: 6.77 +/- 0.19, weight: 0.2
      TYR47  HD2 -   ILE44    H

      TYR47  HD1 -   ILE44    H    d: 6.27 +/- 0.13, weight: 0.3
      TYR47  HD2 -   ILE44    H

      TYR47  HD1 -   ILE44    H    d: 6.27 +/- 0.12, weight: 0.3
      TYR47  HD2 -   ILE44    H

      TYR47  HD1 -   ILE44    H    d: 6.77 +/- 0.19, weight: 0.2
      TYR47  HD2 -   ILE44    H

ref_spec: eng, ref_peak: 302, id: 301, d: 4.76, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HD1 -   HIS51  HE1    d: 6.66 +/- 0.37, weight: 0.1
      TYR47  HD2 -   HIS51  HE1

      TYR47  HD1 -   HIS51    H    d: 5.55 +/- 0.20, weight: 0.3
      TYR47  HD2 -   HIS51    H

      TYR47  HD1 -   HIS51  HE1    d: 6.66 +/- 0.37, weight: 0.1
      TYR47  HD2 -   HIS51  HE1

      TYR47  HD1 -   HIS51    H    d: 5.55 +/- 0.20, weight: 0.3
      TYR47  HD2 -   HIS51    H

ref_spec: eng, ref_peak: 303, id: 302, d: 2.45, u: 3.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HD1 -   TYR47  HE1    d: 2.75 +/- 0.00, weight: 0.5
      TYR47  HD1 -   TYR47  HE2
      TYR47  HD2 -   TYR47  HE1
      TYR47  HD2 -   TYR47  HE2

      TYR47  HD1 -   TYR47  HE1    d: 2.75 +/- 0.00, weight: 0.5
      TYR47  HD1 -   TYR47  HE2
      TYR47  HD2 -   TYR47  HE1
      TYR47  HD2 -   TYR47  HE2

ref_spec: eng, ref_peak: 304, id: 303, d: 5.26, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HD1 -   ILE44   HB    d: 6.43 +/- 0.22, weight: 0.4
      TYR47  HD2 -   ILE44   HB

      TYR47  HD1 -   ILE44   HB    d: 6.43 +/- 0.22, weight: 0.4
      TYR47  HD2 -   ILE44   HB

ref_spec: eng, ref_peak: 305, id: 304, d: 5.91, u: 6.00, u_viol: 0.62, %_viol: 60.0, viol: yes, reliable: no, a_type: A
       TYR5  HE1 -    LYS6  HG2    d: 7.40 +/- 1.81, weight: 0.4
       TYR5  HE2 -    LYS6  HG2

       TYR5  HE1 -    LYS6  HG2    d: 7.32 +/- 1.76, weight: 0.4
       TYR5  HE2 -    LYS6  HG2

ref_spec: eng, ref_peak: 306, id: 305, d: 4.01, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HD1 -   ILE44 HG21    d: 4.97 +/- 0.20, weight: 0.4
      TYR47  HD1 -   ILE44 HG22
      TYR47  HD1 -   ILE44 HG23
      TYR47  HD2 -   ILE44 HG21
      TYR47  HD2 -   ILE44 HG22
      TYR47  HD2 -   ILE44 HG23

      TYR47  HD1 -   ILE44 HG21    d: 4.97 +/- 0.20, weight: 0.4
      TYR47  HD1 -   ILE44 HG22
      TYR47  HD1 -   ILE44 HG23
      TYR47  HD2 -   ILE44 HG21
      TYR47  HD2 -   ILE44 HG22
      TYR47  HD2 -   ILE44 HG23

ref_spec: eng, ref_peak: 307, id: 306, d: 6.72, u: 6.00, u_viol: 0.76, %_viol: 90.0, viol: yes, reliable: no, a_type: A
      TYR47  HD1 -   ILE28 HD11    d: 6.13 +/- 1.12, weight: 0.5
      TYR47  HD1 -   ILE28 HD12
      TYR47  HD1 -   ILE28 HD13
      TYR47  HD2 -   ILE28 HD11
      TYR47  HD2 -   ILE28 HD12
      TYR47  HD2 -   ILE28 HD13

      TYR47  HD1 -   ILE28 HD11    d: 6.13 +/- 1.12, weight: 0.5
      TYR47  HD1 -   ILE28 HD12
      TYR47  HD1 -   ILE28 HD13
      TYR47  HD2 -   ILE28 HD11
      TYR47  HD2 -   ILE28 HD12
      TYR47  HD2 -   ILE28 HD13

ref_spec: eng, ref_peak: 308, id: 307, d: 4.41, u: 4.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5  HE1 -    TYR5  HB2    d: 4.96 +/- 0.01, weight: 0.5
       TYR5  HE1 -    TYR5  HB3
       TYR5  HE2 -    TYR5  HB2
       TYR5  HE2 -    TYR5  HB3

       TYR5  HE1 -    TYR5  HB2    d: 4.96 +/- 0.01, weight: 0.5
       TYR5  HE1 -    TYR5  HB3
       TYR5  HE2 -    TYR5  HB2
       TYR5  HE2 -    TYR5  HB3

ref_spec: eng, ref_peak: 309, id: 308, d: 4.28, u: 11.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19 HE21 -   HIS22  HB2    d: 4.97 +/- 0.67, weight: 0.4

      GLN19 HE21 -   HIS22  HB2    d: 4.84 +/- 0.45, weight: 0.5

ref_spec: eng, ref_peak: 310, id: 309, d: 3.56, u: 5.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19 HE21 -   GLN19  HB3    d: 4.38 +/- 0.70, weight: 0.5

      GLN19 HE21 -   GLN19  HB3    d: 4.25 +/- 0.80, weight: 0.5

ref_spec: eng, ref_peak: 311, id: 310, d: 3.15, u: 5.65, u_viol: 0.00, %_viol: 5.0, viol: no, reliable: no, a_type: A
      GLN19 HE21 -   GLN19  HB2    d: 4.17 +/- 0.80, weight: 0.5

      GLN19 HE21 -   GLN19  HB2    d: 4.27 +/- 0.71, weight: 0.5

ref_spec: eng, ref_peak: 312, id: 311, d: 5.09, u: 6.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HE1 -   ILE17    H    d: 5.93 +/- 0.35, weight: 0.5
      TYR16  HE2 -   ILE17    H

      TYR16  HE1 -   ILE17    H    d: 5.93 +/- 0.35, weight: 0.5
      TYR16  HE2 -   ILE17    H

ref_spec: eng, ref_peak: 313, id: 312, d: 3.33, u: 4.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HE1 -   LYS12    H    d: 3.45 +/- 0.35, weight: 0.5
      TYR16  HE2 -   LYS12    H

      TYR16  HE1 -   LYS12    H    d: 3.44 +/- 0.35, weight: 0.5
      TYR16  HE2 -   LYS12    H

ref_spec: eng, ref_peak: 314, id: 313, d: 4.29, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HE1 -   TYR16   HA    d: 4.71 +/- 0.13, weight: 0.5
      TYR16  HE2 -   TYR16   HA

      TYR16  HE1 -   TYR16   HA    d: 4.71 +/- 0.13, weight: 0.5
      TYR16  HE2 -   TYR16   HA

ref_spec: eng, ref_peak: 315, id: 314, d: 3.23, u: 7.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HE1 -   ILE11   HA    d: 3.10 +/- 0.47, weight: 0.5
      TYR16  HE2 -   ILE11   HA

      TYR16  HE1 -   ILE11   HA    d: 3.11 +/- 0.47, weight: 0.5
      TYR16  HE2 -   ILE11   HA

ref_spec: eng, ref_peak: 316, id: 315, d: 4.22, u: 12.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HE1 -   GLY10  HA3    d: 5.37 +/- 0.86, weight: 0.5
      TYR16  HE2 -   GLY10  HA3

      TYR16  HE1 -   GLY10  HA3    d: 5.36 +/- 0.89, weight: 0.5
      TYR16  HE2 -   GLY10  HA3

ref_spec: eng, ref_peak: 317, id: 316, d: 2.94, u: 4.88, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HE1 -   LYS12  HB3    d: 4.11 +/- 1.06, weight: 0.5
      TYR16  HE2 -   LYS12  HB3

      TYR16  HE1 -   LYS12  HB3    d: 4.25 +/- 1.01, weight: 0.4
      TYR16  HE2 -   LYS12  HB3

ref_spec: eng, ref_peak: 318, id: 317, d: 5.27, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HE1 -   LEU48    H    d: 6.57 +/- 0.05, weight: 0.3
      TYR47  HE2 -   LEU48    H

      TYR47  HE1 -   LYS45    H    d: 7.44 +/- 0.16, weight: 0.1
      TYR47  HE2 -   LYS45    H

      TYR47  HE1 -   LYS45    H    d: 7.45 +/- 0.15, weight: 0.1
      TYR47  HE2 -   LYS45    H

      TYR47  HE1 -   LEU48    H    d: 6.57 +/- 0.05, weight: 0.3
      TYR47  HE2 -   LEU48    H

ref_spec: eng, ref_peak: 320, id: 319, d: 4.29, u: 4.43, u_viol: 0.09, %_viol: 10.0, viol: no, reliable: no, a_type: A
      TYR47  HE1 -   HIS51  HE1    d: 5.20 +/- 0.56, weight: 0.4
      TYR47  HE2 -   HIS51  HE1

      TYR47  HE1 -   HIS51  HE1    d: 5.20 +/- 0.56, weight: 0.4
      TYR47  HE2 -   HIS51  HE1

      TYR47  HE1 -   HIS51    H    d: 7.06 +/- 0.16, weight: 0.1
      TYR47  HE2 -   HIS51    H

ref_spec: eng, ref_peak: 321, id: 320, d: 5.47, u: 6.24, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HE1 -   VAL39   HA    d: 5.60 +/- 0.41, weight: 0.5
      TYR47  HE2 -   VAL39   HA

      TYR47  HE1 -   VAL39   HA    d: 5.60 +/- 0.41, weight: 0.5
      TYR47  HE2 -   VAL39   HA

ref_spec: eng, ref_peak: 322, id: 321, d: 5.49, u: 7.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HE1 -   ILE44   HA    d: 6.43 +/- 0.13, weight: 0.4
      TYR47  HE2 -   ILE44   HA

      TYR47  HE1 -   ILE44   HA    d: 6.43 +/- 0.13, weight: 0.4
      TYR47  HE2 -   ILE44   HA

ref_spec: eng, ref_peak: 323, id: 322, d: 5.05, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HE1 -   LEU42  HB3    d: 4.55 +/- 0.17, weight: 0.5
      TYR47  HE2 -   LEU42  HB3

      TYR47  HE1 -   LEU42  HB3    d: 4.60 +/- 0.23, weight: 0.5
      TYR47  HE2 -   LEU42  HB3

ref_spec: eng, ref_peak: 324, id: 323, d: 5.46, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HE1 -   ALA43  HB1    d: 6.22 +/- 0.25, weight: 0.4
      TYR47  HE1 -   ALA43  HB2
      TYR47  HE1 -   ALA43  HB3
      TYR47  HE2 -   ALA43  HB1
      TYR47  HE2 -   ALA43  HB2
      TYR47  HE2 -   ALA43  HB3

      TYR47  HE1 -   ALA43  HB1    d: 6.21 +/- 0.25, weight: 0.4
      TYR47  HE1 -   ALA43  HB2
      TYR47  HE1 -   ALA43  HB3
      TYR47  HE2 -   ALA43  HB1
      TYR47  HE2 -   ALA43  HB2
      TYR47  HE2 -   ALA43  HB3

ref_spec: eng, ref_peak: 325, id: 324, d: 5.71, u: 6.00, u_viol: 0.30, %_viol: 25.0, viol: no, reliable: no, a_type: A
      TYR47  HE1 -   ILE28 HG21    d: 5.48 +/- 0.50, weight: 0.4
      TYR47  HE1 -   ILE28 HG22
      TYR47  HE1 -   ILE28 HG23
      TYR47  HE2 -   ILE28 HG21
      TYR47  HE2 -   ILE28 HG22
      TYR47  HE2 -   ILE28 HG23

      TYR47  HE1 -   ILE28 HG21    d: 5.48 +/- 0.51, weight: 0.4
      TYR47  HE1 -   ILE28 HG22
      TYR47  HE1 -   ILE28 HG23
      TYR47  HE2 -   ILE28 HG21
      TYR47  HE2 -   ILE28 HG22
      TYR47  HE2 -   ILE28 HG23

ref_spec: eng, ref_peak: 326, id: 325, d: 6.32, u: 6.00, u_viol: 0.54, %_viol: 70.0, viol: yes, reliable: no, a_type: A
      TYR47  HE1 -   ILE28 HD11    d: 5.97 +/- 1.02, weight: 0.5
      TYR47  HE1 -   ILE28 HD12
      TYR47  HE1 -   ILE28 HD13
      TYR47  HE2 -   ILE28 HD11
      TYR47  HE2 -   ILE28 HD12
      TYR47  HE2 -   ILE28 HD13

      TYR47  HE1 -   ILE28 HD11    d: 5.98 +/- 1.02, weight: 0.5
      TYR47  HE1 -   ILE28 HD12
      TYR47  HE1 -   ILE28 HD13
      TYR47  HE2 -   ILE28 HD11
      TYR47  HE2 -   ILE28 HD12
      TYR47  HE2 -   ILE28 HD13

ref_spec: eng, ref_peak: 327, id: 326, d: 2.13, u: 4.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13   HA -   GLY14    H    d: 2.32 +/- 0.13, weight: 0.5

      LEU13   HA -   GLY14    H    d: 2.31 +/- 0.13, weight: 0.5

ref_spec: eng, ref_peak: 328, id: 327, d: 2.47, u: 3.96, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5   HA -    TYR5    H    d: 2.67 +/- 0.31, weight: 0.5

       TYR5   HA -    TYR5    H    d: 2.67 +/- 0.31, weight: 0.5

ref_spec: eng, ref_peak: 329, id: 328, d: 2.91, u: 3.94, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5   HA -    LYS6    H    d: 3.32 +/- 0.44, weight: 0.5

       TYR5   HA -    LYS6    H    d: 3.32 +/- 0.44, weight: 0.5

ref_spec: eng, ref_peak: 330, id: 329, d: 3.15, u: 5.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5   HA -    TYR5  HD1    d: 3.32 +/- 0.43, weight: 0.5
       TYR5   HA -    TYR5  HD2

       TYR5   HA -    TYR5  HD1    d: 3.32 +/- 0.43, weight: 0.5
       TYR5   HA -    TYR5  HD2

ref_spec: eng, ref_peak: 331, id: 330, d: 2.46, u: 4.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4   HA -    TYR5    H    d: 2.97 +/- 0.58, weight: 0.5

       PRO4   HA -    TYR5    H    d: 2.97 +/- 0.58, weight: 0.5

ref_spec: eng, ref_peak: 332, id: 331, d: 4.49, u: 6.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33   HA -   LYS30  HB3    d: 5.61 +/- 0.06, weight: 0.2

      ASN33   HA -   LYS32  HB3    d: 5.39 +/- 0.24, weight: 0.3

      ASN33   HA -   LYS30  HB3    d: 5.61 +/- 0.06, weight: 0.2

      ASN33   HA -   LYS32  HB3    d: 5.44 +/- 0.24, weight: 0.3

ref_spec: eng, ref_peak: 333, id: 332, d: 2.67, u: 4.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33   HA -   LEU34    H    d: 2.83 +/- 0.03, weight: 0.5

      ASN33   HA -   LEU34    H    d: 2.83 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 334, id: 333, d: 2.02, u: 4.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33   HA -   ASN33    H    d: 2.26 +/- 0.00, weight: 0.5

      ASN33   HA -   ASN33    H    d: 2.26 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 335, id: 334, d: 2.37, u: 4.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33   HA -   ASN33  HB3    d: 2.99 +/- 0.11, weight: 0.5

      ASN33   HA -   ASN33  HB3    d: 2.99 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 336, id: 335, d: 2.03, u: 4.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11   HA -   LYS12    H    d: 2.31 +/- 0.09, weight: 0.5

      ILE11   HA -   LYS12    H    d: 2.31 +/- 0.09, weight: 0.5

ref_spec: eng, ref_peak: 337, id: 336, d: 6.49, u: 7.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11   HA -   LEU13  HB2    d: 7.60 +/- 0.70, weight: 0.5

      ILE11   HA -   LEU13  HB2    d: 7.67 +/- 0.73, weight: 0.5

ref_spec: eng, ref_peak: 338, id: 337, d: 2.99, u: 6.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11   HA -   ILE11 HG12    d: 3.26 +/- 0.64, weight: 0.5

      ILE11   HA -   ILE11 HG12    d: 3.28 +/- 0.61, weight: 0.5

ref_spec: eng, ref_peak: 339, id: 338, d: 2.62, u: 4.60, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11   HA -   ILE11 HD11    d: 3.55 +/- 0.62, weight: 0.5
      ILE11   HA -   ILE11 HD12
      ILE11   HA -   ILE11 HD13

      ILE11   HA -   ILE11 HD11    d: 3.55 +/- 0.62, weight: 0.5
      ILE11   HA -   ILE11 HD12
      ILE11   HA -   ILE11 HD13

ref_spec: eng, ref_peak: 340, id: 339, d: 2.62, u: 4.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15   HA -   VAL15    H    d: 2.94 +/- 0.01, weight: 0.5

      VAL15   HA -   VAL15    H    d: 2.94 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 341, id: 340, d: 2.38, u: 3.67, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23   HA -   ASP23  HB3    d: 2.98 +/- 0.10, weight: 0.5

      ASP23   HA -   ASP23  HB3    d: 2.98 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 342, id: 341, d: 2.69, u: 4.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15   HA -   VAL15   HB    d: 2.87 +/- 0.23, weight: 0.5

      VAL15   HA -   VAL15   HB    d: 2.87 +/- 0.23, weight: 0.5

ref_spec: eng, ref_peak: 343, id: 342, d: 2.45, u: 5.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15   HA -   VAL15 HG11    d: 2.96 +/- 0.42, weight: 0.5
      VAL15   HA -   VAL15 HG12
      VAL15   HA -   VAL15 HG13

      VAL15   HA -   VAL15 HG11    d: 2.96 +/- 0.42, weight: 0.5
      VAL15   HA -   VAL15 HG12
      VAL15   HA -   VAL15 HG13

ref_spec: eng, ref_peak: 344, id: 343, d: 2.50, u: 4.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23   HA -   ASP23    H    d: 2.78 +/- 0.01, weight: 0.5

      ASP23   HA -   ASP23    H    d: 2.78 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 345, id: 344, d: 4.58, u: 7.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15   HA -   TYR16  HD1    d: 5.23 +/- 0.73, weight: 0.5
      VAL15   HA -   TYR16  HD2

      VAL15   HA -   TYR16  HD1    d: 5.23 +/- 0.73, weight: 0.5
      VAL15   HA -   TYR16  HD2

ref_spec: eng, ref_peak: 346, id: 345, d: 5.05, u: 6.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18   HA -   TRP21  HB2    d: 6.45 +/- 0.75, weight: 0.4

      PRO18   HA -   TRP21  HB2    d: 6.21 +/- 0.80, weight: 0.5

ref_spec: eng, ref_peak: 347, id: 346, d: 4.58, u: 5.17, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23   HA -   MET26  HG3    d: 4.92 +/- 0.08, weight: 0.5

      ASP23   HA -   MET26  HG3    d: 5.00 +/- 0.33, weight: 0.5

ref_spec: eng, ref_peak: 348, id: 347, d: 3.48, u: 3.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23   HA -   MET26  HB2    d: 4.22 +/- 0.08, weight: 0.5

      ASP23   HA -   MET26  HB2    d: 4.22 +/- 0.08, weight: 0.5

ref_spec: eng, ref_peak: 349, id: 348, d: 3.79, u: 4.60, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18   HA -   GLU20    H    d: 3.73 +/- 0.07, weight: 0.5

      PRO18   HA -   GLU20    H    d: 3.73 +/- 0.07, weight: 0.5

ref_spec: eng, ref_peak: 350, id: 349, d: 3.59, u: 6.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38   HA -   ARG41    H    d: 4.08 +/- 0.16, weight: 0.5

      ASP38   HA -   ARG41    H    d: 4.08 +/- 0.15, weight: 0.5

ref_spec: eng, ref_peak: 351, id: 350, d: 2.26, u: 4.75, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38   HA -   ASP38  HB3    d: 2.72 +/- 0.02, weight: 0.5

      ASP38   HA -   ASP38  HB3    d: 2.72 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 352, id: 351, d: 3.13, u: 4.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47   HA -   LEU48    H    d: 3.54 +/- 0.01, weight: 0.5

      TYR47   HA -   LEU48    H    d: 3.54 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 353, id: 352, d: 2.60, u: 4.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32   HA -   LYS32    H    d: 2.92 +/- 0.00, weight: 0.5

      LYS32   HA -   LYS32    H    d: 2.92 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 354, id: 353, d: 2.50, u: 4.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47   HA -   TYR47    H    d: 2.80 +/- 0.01, weight: 0.5

      TYR47   HA -   TYR47    H    d: 2.80 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 355, id: 354, d: 2.88, u: 4.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47   HA -   TYR47  HD1    d: 3.48 +/- 0.05, weight: 0.5
      TYR47   HA -   TYR47  HD2

      TYR47   HA -   TYR47  HD1    d: 3.48 +/- 0.05, weight: 0.5
      TYR47   HA -   TYR47  HD2

ref_spec: eng, ref_peak: 356, id: 355, d: 4.60, u: 6.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47   HA -   TYR47  HE1    d: 5.20 +/- 0.02, weight: 0.5
      TYR47   HA -   TYR47  HE2

      TYR47   HA -   TYR47  HE1    d: 5.20 +/- 0.02, weight: 0.5
      TYR47   HA -   TYR47  HE2

ref_spec: eng, ref_peak: 357, id: 356, d: 3.07, u: 4.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47   HA -   ASN50  HB3    d: 4.11 +/- 0.85, weight: 0.5

      TYR47   HA -   ASN50  HB3    d: 4.05 +/- 0.81, weight: 0.5

ref_spec: eng, ref_peak: 358, id: 357, d: 2.49, u: 4.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49   HA -   ASP49    H    d: 2.82 +/- 0.01, weight: 0.5

      ASP49   HA -   ASP49    H    d: 2.82 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 359, id: 358, d: 2.57, u: 4.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54   HA -   GLN54  HB2    d: 2.67 +/- 0.26, weight: 0.5

      GLN54   HA -   GLN54  HB2    d: 2.61 +/- 0.24, weight: 0.5

ref_spec: eng, ref_peak: 360, id: 359, d: 3.15, u: 4.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20   HA -   ASP23    H    d: 3.78 +/- 0.14, weight: 0.5

      GLU20   HA -   ASP23    H    d: 3.78 +/- 0.14, weight: 0.5

ref_spec: eng, ref_peak: 361, id: 360, d: 4.66, u: 7.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20   HA -   TRP21  HD1    d: 4.46 +/- 0.13, weight: 0.5

      GLU20   HA -   TRP21  HD1    d: 4.45 +/- 0.13, weight: 0.5

ref_spec: eng, ref_peak: 362, id: 361, d: 2.62, u: 3.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20   HA -   ASP23  HB2    d: 4.33 +/- 0.38, weight: 0.5

      GLU20   HA -   ASP23  HB2    d: 4.32 +/- 0.34, weight: 0.5

ref_spec: eng, ref_peak: 363, id: 362, d: 2.34, u: 3.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20   HA -   GLU20  HB2    d: 2.62 +/- 0.01, weight: 0.5
      GLU20   HA -   GLU20  HB3

      GLU20   HA -   GLU20  HB2    d: 2.62 +/- 0.01, weight: 0.5
      GLU20   HA -   GLU20  HB3

ref_spec: eng, ref_peak: 364, id: 363, d: 3.11, u: 3.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53   HA -   GLN54    H    d: 3.12 +/- 0.52, weight: 0.5

      LYS53   HA -   GLN54    H    d: 3.12 +/- 0.52, weight: 0.5

ref_spec: eng, ref_peak: 365, id: 364, d: 2.60, u: 3.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53   HA -   LYS53    H    d: 2.80 +/- 0.25, weight: 0.5

      LYS53   HA -   LYS53    H    d: 2.80 +/- 0.26, weight: 0.5

ref_spec: eng, ref_peak: 366, id: 365, d: 4.72, u: 5.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24   HA -   ASP23    H    d: 5.49 +/- 0.01, weight: 0.4

      ARG24   HA -   ASP23    H    d: 5.49 +/- 0.01, weight: 0.4

ref_spec: eng, ref_peak: 367, id: 366, d: 3.07, u: 3.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26   HA -   MET26  HG3    d: 3.28 +/- 0.15, weight: 0.5

      MET26   HA -   MET26  HG3    d: 3.29 +/- 0.24, weight: 0.5

ref_spec: eng, ref_peak: 368, id: 367, d: 2.63, u: 3.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24   HA -   GLU27  HB2    d: 2.81 +/- 0.21, weight: 0.5

      ARG24   HA -   GLU27  HB2    d: 2.82 +/- 0.22, weight: 0.5

ref_spec: eng, ref_peak: 369, id: 368, d: 2.59, u: 3.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26   HA -   MET26  HB2    d: 3.01 +/- 0.00, weight: 0.5

      MET26   HA -   MET26  HB2    d: 3.01 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 370, id: 369, d: 2.81, u: 5.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24   HA -   GLU27    H    d: 3.57 +/- 0.05, weight: 0.2

      MET26   HA -   GLU27    H    d: 3.49 +/- 0.01, weight: 0.3

      ARG24   HA -   GLU27    H    d: 3.57 +/- 0.04, weight: 0.2

      MET26   HA -   GLU27    H    d: 3.49 +/- 0.01, weight: 0.3

ref_spec: eng, ref_peak: 371, id: 370, d: 3.05, u: 3.00, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30   HA -   GLU31    H    d: 3.52 +/- 0.01, weight: 0.4

      LYS30   HA -   GLU31    H    d: 3.52 +/- 0.01, weight: 0.4

ref_spec: eng, ref_peak: 372, id: 371, d: 2.57, u: 3.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30   HA -   LYS30    H    d: 2.92 +/- 0.00, weight: 0.5

      LYS30   HA -   LYS30    H    d: 2.92 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 373, id: 372, d: 2.19, u: 3.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30   HA -   LYS30  HB2    d: 2.44 +/- 0.03, weight: 0.5

      LYS30   HA -   LYS30  HB2    d: 2.44 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 374, id: 373, d: 4.19, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30   HA -   ALA29  HB1    d: 4.77 +/- 0.01, weight: 0.5
      LYS30   HA -   ALA29  HB2
      LYS30   HA -   ALA29  HB3

      LYS30   HA -   ALA29  HB1    d: 4.77 +/- 0.01, weight: 0.5
      LYS30   HA -   ALA29  HB2
      LYS30   HA -   ALA29  HB3

ref_spec: eng, ref_peak: 375, id: 374, d: 3.18, u: 5.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27   HA -   ILE28    H    d: 3.53 +/- 0.01, weight: 0.5

      GLU27   HA -   ILE28    H    d: 3.53 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 376, id: 375, d: 2.41, u: 3.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27   HA -   GLU27  HB3    d: 2.74 +/- 0.30, weight: 0.5

      GLU27   HA -   GLU27  HB3    d: 2.74 +/- 0.29, weight: 0.5

ref_spec: eng, ref_peak: 377, id: 376, d: 3.87, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27   HA -   MET26  HB2    d: 4.12 +/- 0.02, weight: 0.5

      GLU27   HA -   MET26  HB2    d: 4.12 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 378, id: 377, d: 2.49, u: 3.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6   HA -    LYS6    H    d: 2.79 +/- 0.26, weight: 0.5

       LYS6   HA -    LYS6    H    d: 2.79 +/- 0.26, weight: 0.5

ref_spec: eng, ref_peak: 379, id: 378, d: 2.80, u: 4.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10  HA3 -   ILE11    H    d: 3.12 +/- 0.19, weight: 0.5

      GLY10  HA3 -   ILE11    H    d: 3.13 +/- 0.18, weight: 0.5

ref_spec: eng, ref_peak: 380, id: 379, d: 1.57, u: 2.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10  HA3 -   GLY10  HA2    d: 1.76 +/- 0.00, weight: 0.5

      GLY10  HA3 -   GLY10  HA2    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 381, id: 380, d: 3.70, u: 3.60, u_viol: 0.10, %_viol: 55.0, viol: no, reliable: no, a_type: A
      GLU31   HA -   LYS30  HB3    d: 4.13 +/- 0.02, weight: 0.5

      GLU31   HA -   LYS30  HB3    d: 4.14 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 382, id: 381, d: 4.79, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      SER37   HA -   LEU36    H    d: 5.27 +/- 0.02, weight: 0.5

      SER37   HA -   LEU36    H    d: 5.27 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 383, id: 382, d: 2.29, u: 5.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      SER37   HA -   SER37  HB2    d: 2.53 +/- 0.08, weight: 0.5
      SER37   HA -   SER37  HB3

      SER37   HA -   SER37  HB2    d: 2.53 +/- 0.08, weight: 0.5
      SER37   HA -   SER37  HB3

ref_spec: eng, ref_peak: 384, id: 383, d: 4.60, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      SER37   HA -   LEU36 HD21    d: 4.78 +/- 0.24, weight: 0.5
      SER37   HA -   LEU36 HD22
      SER37   HA -   LEU36 HD23

      SER37   HA -   LEU36 HD21    d: 4.78 +/- 0.24, weight: 0.5
      SER37   HA -   LEU36 HD22
      SER37   HA -   LEU36 HD23

ref_spec: eng, ref_peak: 385, id: 384, d: 2.91, u: 3.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HA -   LYS45    H    d: 3.01 +/- 0.04, weight: 0.5

      LEU42   HA -   LYS45    H    d: 3.01 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 386, id: 385, d: 2.53, u: 3.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HA -   LEU42    H    d: 2.84 +/- 0.01, weight: 0.5

      LEU42   HA -   LEU42    H    d: 2.84 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 387, id: 386, d: 5.98, u: 6.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HA -   TYR47  HE1    d: 6.42 +/- 0.16, weight: 0.5
      LEU42   HA -   TYR47  HE2

      LEU42   HA -   TYR47  HE1    d: 6.41 +/- 0.17, weight: 0.5
      LEU42   HA -   TYR47  HE2

ref_spec: eng, ref_peak: 388, id: 387, d: 4.91, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HA -   VAL39   HA    d: 5.45 +/- 0.10, weight: 0.5

      LEU42   HA -   VAL39   HA    d: 5.45 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 389, id: 388, d: 2.13, u: 2.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HA -   LEU42 HD21    d: 2.84 +/- 0.57, weight: 0.5
      LEU42   HA -   LEU42 HD22
      LEU42   HA -   LEU42 HD23

      LEU42   HA -   LEU42 HD21    d: 2.84 +/- 0.57, weight: 0.5
      LEU42   HA -   LEU42 HD22
      LEU42   HA -   LEU42 HD23

ref_spec: eng, ref_peak: 390, id: 389, d: 3.15, u: 4.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41   HA -   LEU42    H    d: 3.59 +/- 0.01, weight: 0.5

      ARG41   HA -   LEU42    H    d: 3.59 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 393, id: 392, d: 1.97, u: 4.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41   HA -   ILE44 HG13    d: 2.23 +/- 0.20, weight: 0.5

      ARG41   HA -   ILE44 HG13    d: 2.24 +/- 0.23, weight: 0.5

ref_spec: eng, ref_peak: 394, id: 393, d: 2.87, u: 3.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46   HA -   ASP49    H    d: 3.06 +/- 0.07, weight: 0.5

      GLU46   HA -   ASP49    H    d: 3.06 +/- 0.07, weight: 0.5

ref_spec: eng, ref_peak: 395, id: 394, d: 3.82, u: 3.80, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46   HA -   ASN50    H    d: 4.04 +/- 0.15, weight: 0.5

      GLU46   HA -   ASN50    H    d: 4.03 +/- 0.15, weight: 0.5

ref_spec: eng, ref_peak: 396, id: 395, d: 2.80, u: 3.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46   HA -   GLU46  HG2    d: 3.20 +/- 0.24, weight: 0.5

      GLU46   HA -   GLU46  HG2    d: 3.15 +/- 0.17, weight: 0.5

ref_spec: eng, ref_peak: 397, id: 396, d: 2.47, u: 3.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36   HA -   LEU36    H    d: 2.79 +/- 0.01, weight: 0.5

      LEU36   HA -   LEU36    H    d: 2.79 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 398, id: 397, d: 2.16, u: 3.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36   HA -   LEU36  HB3    d: 2.51 +/- 0.09, weight: 0.5

      LEU36   HA -   LEU36  HB3    d: 2.54 +/- 0.08, weight: 0.5

ref_spec: eng, ref_peak: 399, id: 398, d: 2.89, u: 3.08, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36   HA -   VAL39 HG21    d: 3.48 +/- 0.19, weight: 0.5
      LEU36   HA -   VAL39 HG22
      LEU36   HA -   VAL39 HG23

      LEU36   HA -   VAL39 HG21    d: 3.48 +/- 0.19, weight: 0.5
      LEU36   HA -   VAL39 HG22
      LEU36   HA -   VAL39 HG23

ref_spec: eng, ref_peak: 400, id: 399, d: 4.31, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36   HA -   LEU36 HD11    d: 4.83 +/- 0.29, weight: 0.5
      LEU36   HA -   LEU36 HD12
      LEU36   HA -   LEU36 HD13

      LEU36   HA -   LEU36 HD11    d: 4.83 +/- 0.29, weight: 0.5
      LEU36   HA -   LEU36 HD12
      LEU36   HA -   LEU36 HD13

ref_spec: eng, ref_peak: 401, id: 400, d: 4.55, u: 6.24, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22   HA -   TRP21    H    d: 4.93 +/- 0.03, weight: 0.5

      HIS22   HA -   TRP21    H    d: 4.93 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 402, id: 401, d: 3.25, u: 4.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22   HA -   HIS22  HD2    d: 3.43 +/- 0.19, weight: 0.5

      HIS22   HA -   HIS22  HD2    d: 3.43 +/- 0.19, weight: 0.5

ref_spec: eng, ref_peak: 403, id: 402, d: 2.45, u: 4.24, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22   HA -   HIS22  HB3    d: 2.76 +/- 0.18, weight: 0.5

      HIS22   HA -   HIS22  HB3    d: 2.72 +/- 0.16, weight: 0.5

ref_spec: eng, ref_peak: 404, id: 403, d: 2.20, u: 3.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HD3 -    ARG3   HA    d: 2.61 +/- 0.30, weight: 0.5

       PRO4  HD3 -    ARG3   HA    d: 2.65 +/- 0.27, weight: 0.5

ref_spec: eng, ref_peak: 405, id: 404, d: 2.20, u: 3.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HD3 -    PRO4  HG2    d: 2.48 +/- 0.03, weight: 0.5
       PRO4  HD3 -    PRO4  HG3

       PRO4  HD3 -    PRO4  HG2    d: 2.49 +/- 0.03, weight: 0.5
       PRO4  HD3 -    PRO4  HG3

ref_spec: eng, ref_peak: 406, id: 405, d: 3.35, u: 4.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HD3 -    PRO4  HB2    d: 3.80 +/- 0.37, weight: 0.5

       PRO4  HD3 -    PRO4  HB2    d: 3.68 +/- 0.42, weight: 0.5

ref_spec: eng, ref_peak: 407, id: 406, d: 2.95, u: 6.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB3 -   HIS22  HD2    d: 3.51 +/- 0.52, weight: 0.6

      HIS22  HB3 -   HIS22  HD2    d: 3.68 +/- 0.45, weight: 0.4

ref_spec: eng, ref_peak: 408, id: 407, d: 2.40, u: 3.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22    H -   HIS22  HB3    d: 3.00 +/- 0.67, weight: 0.6

      HIS22    H -   HIS22  HB3    d: 3.20 +/- 0.60, weight: 0.4

ref_spec: eng, ref_peak: 409, id: 408, d: 3.97, u: 4.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40   HA -   LEU42    H    d: 4.66 +/- 0.11, weight: 0.5

      CYS40   HA -   LEU42    H    d: 4.67 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 410, id: 409, d: 4.19, u: 5.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB3 -   TRP21    H    d: 5.30 +/- 0.72, weight: 0.3

      CYS40   HA -   TRP21  HH2    d: 6.72 +/- 0.38, weight: 0.1

      HIS22  HB3 -   TRP21    H    d: 5.06 +/- 0.80, weight: 0.4

ref_spec: eng, ref_peak: 411, id: 410, d: 5.61, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40   HA -   LEU42   HA    d: 6.67 +/- 0.03, weight: 0.4

      CYS40   HA -   LEU42   HA    d: 7.83 +/- 0.11, weight: 0.1

      CYS40   HA -   LEU42   HA    d: 6.67 +/- 0.03, weight: 0.4

ref_spec: eng, ref_peak: 412, id: 411, d: 3.88, u: 9.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40   HA -   ILE44   HA    d: 4.36 +/- 0.10, weight: 0.5

      CYS40   HA -   ILE44   HA    d: 4.37 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 413, id: 412, d: 2.44, u: 3.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40   HA -   ILE44 HD11    d: 2.51 +/- 0.10, weight: 0.5
      CYS40   HA -   ILE44 HD12
      CYS40   HA -   ILE44 HD13

      CYS40   HA -   ILE44 HD11    d: 2.50 +/- 0.10, weight: 0.5
      CYS40   HA -   ILE44 HD12
      CYS40   HA -   ILE44 HD13

ref_spec: eng, ref_peak: 414, id: 413, d: 3.14, u: 4.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19   HA -   GLU20    H    d: 3.46 +/- 0.01, weight: 0.5

      GLN19   HA -   GLU20    H    d: 3.46 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 415, id: 414, d: 2.52, u: 3.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19   HA -   GLN19    H    d: 2.80 +/- 0.01, weight: 0.5

      GLN19   HA -   GLN19    H    d: 2.80 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 416, id: 415, d: 4.29, u: 7.22, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19   HA -   GLN19 HE21    d: 5.04 +/- 0.45, weight: 0.5

      GLN19   HA -   GLN19 HE21    d: 5.02 +/- 0.45, weight: 0.5

ref_spec: eng, ref_peak: 417, id: 416, d: 3.77, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19   HA -   PRO18   HA    d: 4.32 +/- 0.01, weight: 0.5

      GLN19   HA -   PRO18   HA    d: 4.32 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 418, id: 417, d: 3.15, u: 4.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19   HA -   ILE11 HG13    d: 4.12 +/- 0.93, weight: 0.5

      GLN19   HA -   ILE11 HG13    d: 4.17 +/- 0.90, weight: 0.5

ref_spec: eng, ref_peak: 419, id: 418, d: 3.68, u: 3.48, u_viol: 0.63, %_viol: 75.0, viol: no, reliable: no, a_type: A
      GLN19   HA -   ILE11 HD11    d: 3.53 +/- 0.66, weight: 0.5
      GLN19   HA -   ILE11 HD12
      GLN19   HA -   ILE11 HD13

      GLN19   HA -   ILE11 HD11    d: 3.53 +/- 0.65, weight: 0.5
      GLN19   HA -   ILE11 HD12
      GLN19   HA -   ILE11 HD13

ref_spec: eng, ref_peak: 420, id: 419, d: 3.13, u: 3.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48   HA -   ASP49    H    d: 3.47 +/- 0.01, weight: 0.5

      LEU48   HA -   ASP49    H    d: 3.47 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 421, id: 420, d: 2.52, u: 3.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48   HA -   LEU48    H    d: 2.84 +/- 0.00, weight: 0.5

      LEU48   HA -   LEU48    H    d: 2.84 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 422, id: 421, d: 4.93, u: 4.90, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48   HA -   ASP49  HB3    d: 5.65 +/- 0.07, weight: 0.4

      LEU48   HA -   GLU46  HG3    d: 7.46 +/- 0.66, weight: 0.1

      LEU48   HA -   ASP49  HB3    d: 5.65 +/- 0.07, weight: 0.4

ref_spec: eng, ref_peak: 423, id: 422, d: 2.28, u: 2.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48   HA -   LEU48 HD21    d: 2.59 +/- 0.04, weight: 0.5
      LEU48   HA -   LEU48 HD22
      LEU48   HA -   LEU48 HD23

      LEU48   HA -   LEU48 HD21    d: 2.59 +/- 0.04, weight: 0.5
      LEU48   HA -   LEU48 HD22
      LEU48   HA -   LEU48 HD23

ref_spec: eng, ref_peak: 424, id: 423, d: 4.16, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48   HA -   LEU48 HD11    d: 4.65 +/- 0.02, weight: 0.5
      LEU48   HA -   LEU48 HD12
      LEU48   HA -   LEU48 HD13

      LEU48   HA -   LEU48 HD11    d: 4.65 +/- 0.02, weight: 0.5
      LEU48   HA -   LEU48 HD12
      LEU48   HA -   LEU48 HD13

ref_spec: eng, ref_peak: 425, id: 424, d: 3.11, u: 3.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43   HA -   ILE44    H    d: 3.56 +/- 0.01, weight: 0.5

      ALA43   HA -   ILE44    H    d: 3.55 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 426, id: 425, d: 2.53, u: 3.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43   HA -   ALA43    H    d: 2.83 +/- 0.00, weight: 0.5

      ALA43   HA -   ALA43    H    d: 2.83 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 427, id: 426, d: 2.43, u: 3.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43   HA -   TYR47  HD1    d: 2.35 +/- 0.09, weight: 0.5
      ALA43   HA -   TYR47  HD2

      ALA43   HA -   TYR47  HD1    d: 2.35 +/- 0.10, weight: 0.5
      ALA43   HA -   TYR47  HD2

ref_spec: eng, ref_peak: 428, id: 427, d: 3.80, u: 4.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43   HA -   TYR47  HE1    d: 4.26 +/- 0.18, weight: 0.5
      ALA43   HA -   TYR47  HE2

      ALA43   HA -   TYR47  HE1    d: 4.25 +/- 0.18, weight: 0.5
      ALA43   HA -   TYR47  HE2

ref_spec: eng, ref_peak: 429, id: 428, d: 3.06, u: 4.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43   HA -   TYR47  HB2    d: 3.70 +/- 0.78, weight: 0.6

      ALA43   HA -   TYR47  HB2    d: 4.17 +/- 0.74, weight: 0.3

ref_spec: eng, ref_peak: 430, id: 429, d: 2.99, u: 3.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43   HA -   GLU46  HB2    d: 2.91 +/- 0.15, weight: 0.5
      ALA43   HA -   GLU46  HB3

      ALA43   HA -   GLU46  HB2    d: 2.92 +/- 0.15, weight: 0.5
      ALA43   HA -   GLU46  HB3

ref_spec: eng, ref_peak: 431, id: 430, d: 2.25, u: 2.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43   HA -   ALA43  HB1    d: 2.54 +/- 0.00, weight: 0.5
      ALA43   HA -   ALA43  HB2
      ALA43   HA -   ALA43  HB3

      ALA43   HA -   ALA43  HB1    d: 2.54 +/- 0.00, weight: 0.5
      ALA43   HA -   ALA43  HB2
      ALA43   HA -   ALA43  HB3

ref_spec: eng, ref_peak: 432, id: 431, d: 4.09, u: 4.11, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43   HA -   TYR47   HA    d: 4.83 +/- 0.06, weight: 0.4

      ALA43   HA -   TYR47   HA    d: 4.83 +/- 0.06, weight: 0.4

ref_spec: eng, ref_peak: 433, id: 432, d: 2.87, u: 4.01, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HA -   GLU31    H    d: 3.02 +/- 0.03, weight: 0.5

      ILE28   HA -   GLU31    H    d: 3.02 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 434, id: 433, d: 4.12, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HA -   GLU27   HA    d: 4.78 +/- 0.01, weight: 0.4

      ILE28   HA -   GLU27   HA    d: 4.78 +/- 0.01, weight: 0.4

ref_spec: eng, ref_peak: 435, id: 434, d: 4.39, u: 4.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10  HA2 -    ASN9  HB2    d: 4.91 +/- 0.24, weight: 0.4
      GLY10  HA2 -    ASN9  HB3

      GLY10  HA2 -    ASN9  HB2    d: 4.91 +/- 0.24, weight: 0.4
      GLY10  HA2 -    ASN9  HB3

      ALA29   HA -   ASP38  HB2    d: 6.12 +/- 0.09, weight: 0.1

ref_spec: eng, ref_peak: 436, id: 435, d: 2.70, u: 3.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HA -   GLU31  HB2    d: 3.36 +/- 0.64, weight: 0.4

      ILE28   HA -   GLU31  HB2    d: 3.18 +/- 0.50, weight: 0.5

ref_spec: eng, ref_peak: 437, id: 436, d: 2.37, u: 4.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HA -   ILE28 HG13    d: 3.20 +/- 0.41, weight: 0.5

      ILE28   HA -   ILE28 HG13    d: 3.20 +/- 0.41, weight: 0.5

ref_spec: eng, ref_peak: 438, id: 437, d: 4.11, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HA -   ILE28 HD11    d: 4.44 +/- 0.75, weight: 0.5
      ILE28   HA -   ILE28 HD12
      ILE28   HA -   ILE28 HD13

      ILE28   HA -   ILE28 HD11    d: 4.44 +/- 0.75, weight: 0.5
      ILE28   HA -   ILE28 HD12
      ILE28   HA -   ILE28 HD13

ref_spec: eng, ref_peak: 439, id: 438, d: 2.81, u: 3.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29   HA -   LEU34    H    d: 2.76 +/- 0.05, weight: 0.5

      ALA29   HA -   LEU34    H    d: 2.76 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 440, id: 439, d: 2.51, u: 3.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29   HA -   ALA29    H    d: 2.81 +/- 0.00, weight: 0.5

      ALA29   HA -   ALA29    H    d: 2.81 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 441, id: 440, d: 3.09, u: 3.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29   HA -   LYS30    H    d: 3.41 +/- 0.01, weight: 0.5

      ALA29   HA -   LYS30    H    d: 3.41 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 442, id: 441, d: 4.63, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29   HA -   LEU34   HA    d: 4.87 +/- 0.04, weight: 0.5

      ALA29   HA -   LEU34   HA    d: 4.87 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 443, id: 442, d: 4.14, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10  HA2 -   ILE17   HA    d: 3.73 +/- 0.35, weight: 0.5

      GLY10  HA2 -   ILE17   HA    d: 3.73 +/- 0.23, weight: 0.5

ref_spec: eng, ref_peak: 444, id: 443, d: 2.27, u: 2.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29   HA -   ALA29  HB1    d: 2.53 +/- 0.00, weight: 0.5
      ALA29   HA -   ALA29  HB2
      ALA29   HA -   ALA29  HB3

      ALA29   HA -   ALA29  HB1    d: 2.53 +/- 0.00, weight: 0.5
      ALA29   HA -   ALA29  HB2
      ALA29   HA -   ALA29  HB3

ref_spec: eng, ref_peak: 445, id: 444, d: 3.94, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29   HA -   VAL39 HG21    d: 3.76 +/- 0.13, weight: 0.5
      ALA29   HA -   VAL39 HG22
      ALA29   HA -   VAL39 HG23

      ALA29   HA -   VAL39 HG21    d: 3.76 +/- 0.13, weight: 0.5
      ALA29   HA -   VAL39 HG22
      ALA29   HA -   VAL39 HG23

ref_spec: eng, ref_peak: 446, id: 445, d: 4.96, u: 4.15, u_viol: 0.81, %_viol: 100.0, viol: no, reliable: no, a_type: A
      ALA29   HA -   LEU34 HD11    d: 4.68 +/- 0.15, weight: 0.5
      ALA29   HA -   LEU34 HD12
      ALA29   HA -   LEU34 HD13

      ALA29   HA -   LEU34 HD11    d: 4.68 +/- 0.15, weight: 0.5
      ALA29   HA -   LEU34 HD12
      ALA29   HA -   LEU34 HD13

ref_spec: eng, ref_peak: 447, id: 446, d: 3.95, u: 4.04, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10  HA2 -   GLN19    H    d: 4.20 +/- 0.29, weight: 0.5

      GLY10  HA2 -   GLN19    H    d: 4.21 +/- 0.29, weight: 0.5

ref_spec: eng, ref_peak: 448, id: 447, d: 1.92, u: 3.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10  HA2 -   ILE11    H    d: 2.14 +/- 0.17, weight: 0.5

      GLY10  HA2 -   ILE11    H    d: 2.13 +/- 0.12, weight: 0.5

ref_spec: eng, ref_peak: 449, id: 448, d: 2.56, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10  HA2 -   GLY10    H    d: 2.87 +/- 0.02, weight: 0.5

      GLY10  HA2 -   GLY10    H    d: 2.87 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 450, id: 449, d: 3.91, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10  HA2 -   ILE11   HA    d: 4.36 +/- 0.02, weight: 0.5

      GLY10  HA2 -   ILE11   HA    d: 4.36 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 451, id: 450, d: 2.18, u: 3.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HD2 -    ARG3   HA    d: 2.43 +/- 0.25, weight: 0.5

       PRO4  HD2 -    ARG3   HA    d: 2.39 +/- 0.24, weight: 0.5

ref_spec: eng, ref_peak: 452, id: 451, d: 1.58, u: 2.40, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HD2 -    PRO4  HD3    d: 1.78 +/- 0.00, weight: 0.5

       PRO4  HD2 -    PRO4  HD3    d: 1.78 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 453, id: 452, d: 3.15, u: 3.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HA -   CYS40    H    d: 3.53 +/- 0.02, weight: 0.5

      VAL39   HA -   CYS40    H    d: 3.53 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 454, id: 453, d: 2.31, u: 2.92, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HA -   LEU42  HB3    d: 3.64 +/- 0.85, weight: 0.4

      VAL39   HA -   LEU42  HB3    d: 3.31 +/- 0.81, weight: 0.6

ref_spec: eng, ref_peak: 455, id: 454, d: 3.79, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HA -   LEU42   HG    d: 3.66 +/- 0.06, weight: 0.5

      VAL39   HA -   LEU42   HG    d: 3.66 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 456, id: 455, d: 2.60, u: 2.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HA -   VAL39 HG21    d: 2.95 +/- 0.03, weight: 0.5
      VAL39   HA -   VAL39 HG22
      VAL39   HA -   VAL39 HG23

      VAL39   HA -   VAL39 HG21    d: 2.95 +/- 0.03, weight: 0.5
      VAL39   HA -   VAL39 HG22
      VAL39   HA -   VAL39 HG23

ref_spec: eng, ref_peak: 457, id: 456, d: 2.38, u: 3.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HB3 -   HIS22    H    d: 2.96 +/- 0.52, weight: 0.6

      TRP21  HB3 -   HIS22    H    d: 3.11 +/- 0.55, weight: 0.4

ref_spec: eng, ref_peak: 458, id: 457, d: 2.01, u: 3.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HB3 -   TRP21    H    d: 2.75 +/- 0.56, weight: 0.6

      TRP21  HB3 -   TRP21    H    d: 2.91 +/- 0.61, weight: 0.4

ref_spec: eng, ref_peak: 459, id: 458, d: 2.57, u: 3.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HB3 -   TRP21   HA    d: 2.85 +/- 0.26, weight: 0.5

      TRP21  HB3 -   TRP21   HA    d: 2.77 +/- 0.28, weight: 0.5

ref_spec: eng, ref_peak: 460, id: 459, d: 1.57, u: 2.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HB3 -   TRP21  HB2    d: 1.76 +/- 0.00, weight: 0.5

      TRP21  HB3 -   TRP21  HB2    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 461, id: 460, d: 2.93, u: 3.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   LYS45    H    d: 3.49 +/- 0.01, weight: 0.3

      ILE44   HA -   LYS45    H    d: 3.49 +/- 0.01, weight: 0.3

      ILE44   HA -   LEU48    H    d: 3.96 +/- 0.05, weight: 0.2

ref_spec: eng, ref_peak: 462, id: 461, d: 2.53, u: 3.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   ILE44    H    d: 2.85 +/- 0.00, weight: 0.5

      ILE44   HA -   ILE44    H    d: 2.85 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 463, id: 462, d: 2.66, u: 3.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   TYR47    H    d: 2.83 +/- 0.06, weight: 0.5

      ILE44   HA -   TYR47    H    d: 2.83 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 464, id: 463, d: 3.81, u: 4.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   TYR47  HD1    d: 4.25 +/- 0.20, weight: 0.5
      ILE44   HA -   TYR47  HD2

      ILE44   HA -   TYR47  HD1    d: 4.25 +/- 0.20, weight: 0.5
      ILE44   HA -   TYR47  HD2

ref_spec: eng, ref_peak: 465, id: 464, d: 4.92, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   ARG41   HA    d: 5.64 +/- 0.21, weight: 0.4

      ILE44   HA -   ARG41   HA    d: 5.64 +/- 0.21, weight: 0.4

ref_spec: eng, ref_peak: 466, id: 465, d: 3.35, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   ALA43   HA    d: 3.81 +/- 0.05, weight: 0.4

      ILE44   HA -   ALA43   HA    d: 3.80 +/- 0.05, weight: 0.4

      ILE44   HA -   ALA43   HA    d: 4.72 +/- 0.02, weight: 0.1

ref_spec: eng, ref_peak: 467, id: 466, d: 1.97, u: 3.79, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   TYR47  HB3    d: 2.30 +/- 0.22, weight: 0.6

      ILE44   HA -   TYR47  HB3    d: 2.42 +/- 0.25, weight: 0.4

ref_spec: eng, ref_peak: 468, id: 467, d: 4.69, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   GLU46  HB2    d: 5.25 +/- 0.11, weight: 0.3
      ILE44   HA -   GLU46  HB3

      ILE44   HA -   GLU46  HB2    d: 5.97 +/- 0.19, weight: 0.1
      ILE44   HA -   GLU46  HB3

      ILE44   HA -   GLU46  HB2    d: 5.97 +/- 0.19, weight: 0.1
      ILE44   HA -   GLU46  HB3

      ILE44   HA -   GLU46  HB2    d: 5.25 +/- 0.11, weight: 0.3
      ILE44   HA -   GLU46  HB3

ref_spec: eng, ref_peak: 469, id: 468, d: 2.10, u: 2.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   ALA43  HB1    d: 2.28 +/- 0.06, weight: 0.5
      ILE44   HA -   ALA43  HB2
      ILE44   HA -   ALA43  HB3

      ILE44   HA -   ALA43  HB1    d: 2.28 +/- 0.06, weight: 0.5
      ILE44   HA -   ALA43  HB2
      ILE44   HA -   ALA43  HB3

ref_spec: eng, ref_peak: 470, id: 469, d: 2.30, u: 3.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   ILE44 HG21    d: 2.56 +/- 0.04, weight: 0.5
      ILE44   HA -   ILE44 HG22
      ILE44   HA -   ILE44 HG23

      ILE44   HA -   ILE44 HG21    d: 2.56 +/- 0.04, weight: 0.5
      ILE44   HA -   ILE44 HG22
      ILE44   HA -   ILE44 HG23

ref_spec: eng, ref_peak: 471, id: 470, d: 4.14, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   ILE44 HD11    d: 4.62 +/- 0.21, weight: 0.5
      ILE44   HA -   ILE44 HD12
      ILE44   HA -   ILE44 HD13

      ILE44   HA -   ILE44 HD11    d: 4.62 +/- 0.21, weight: 0.5
      ILE44   HA -   ILE44 HD12
      ILE44   HA -   ILE44 HD13

ref_spec: eng, ref_peak: 472, id: 471, d: 5.57, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   LEU48 HD11    d: 6.29 +/- 0.09, weight: 0.5
      ILE44   HA -   LEU48 HD12
      ILE44   HA -   LEU48 HD13

      ILE44   HA -   LEU48 HD11    d: 6.29 +/- 0.09, weight: 0.5
      ILE44   HA -   LEU48 HD12
      ILE44   HA -   LEU48 HD13

ref_spec: eng, ref_peak: 473, id: 472, d: 2.13, u: 3.40, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24  HD3 -   ARG24    H    d: 2.21 +/- 0.59, weight: 0.6

      ARG24  HD3 -   ARG24    H    d: 2.46 +/- 0.48, weight: 0.3

ref_spec: eng, ref_peak: 474, id: 473, d: 2.86, u: 3.28, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24  HD3 -   ARG24   HA    d: 3.50 +/- 0.51, weight: 0.6

      ARG24  HD3 -   ARG24   HA    d: 3.78 +/- 0.59, weight: 0.4

ref_spec: eng, ref_peak: 475, id: 474, d: 2.34, u: 2.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24  HD3 -   ARG24  HG2    d: 2.63 +/- 0.03, weight: 0.5
      ARG24  HD3 -   ARG24  HG3

      ARG24  HD3 -   ARG24  HG2    d: 2.63 +/- 0.03, weight: 0.5
      ARG24  HD3 -   ARG24  HG3

ref_spec: eng, ref_peak: 476, id: 475, d: 4.04, u: 4.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY14  HA2 -   LEU13    H    d: 4.84 +/- 0.42, weight: 0.4

      GLY14  HA2 -   LEU13    H    d: 4.84 +/- 0.39, weight: 0.4

      GLY14  HA2 -   LEU13    H    d: 5.67 +/- 0.30, weight: 0.1

ref_spec: eng, ref_peak: 477, id: 476, d: 2.27, u: 3.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY14  HA2 -   GLY14    H    d: 2.46 +/- 0.19, weight: 0.5

      GLY14  HA2 -   GLY14    H    d: 2.46 +/- 0.18, weight: 0.5

ref_spec: eng, ref_peak: 478, id: 477, d: 2.77, u: 3.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY14  HA2 -   VAL15    H    d: 2.99 +/- 0.35, weight: 0.5

      GLY14  HA2 -   VAL15    H    d: 2.99 +/- 0.35, weight: 0.5

ref_spec: eng, ref_peak: 479, id: 478, d: 3.77, u: 3.72, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY14  HA2 -   LEU13   HA    d: 4.35 +/- 0.04, weight: 0.4

      GLY14  HA2 -   LEU13   HA    d: 4.34 +/- 0.04, weight: 0.4

ref_spec: eng, ref_peak: 480, id: 479, d: 1.56, u: 2.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY14  HA2 -   GLY14  HA3    d: 1.76 +/- 0.00, weight: 0.5

      GLY14  HA2 -   GLY14  HA3    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 481, id: 480, d: 4.45, u: 8.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY14  HA2 -   LEU13  HB2    d: 5.24 +/- 0.57, weight: 0.4

      GLY14  HA2 -   LEU13  HB2    d: 5.20 +/- 0.55, weight: 0.4

ref_spec: eng, ref_peak: 482, id: 481, d: 3.00, u: 3.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38  HB3 -   VAL39    H    d: 2.97 +/- 0.14, weight: 0.5

      ASP38  HB3 -   VAL39    H    d: 2.97 +/- 0.14, weight: 0.5

ref_spec: eng, ref_peak: 483, id: 482, d: 1.97, u: 3.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41  HD2 -   ARG41 HH11    d: 2.62 +/- 0.40, weight: 0.2
      ARG41  HD2 -   ARG41 HH12

      TYR47  HB3 -   TYR47    H    d: 2.47 +/- 0.21, weight: 0.3

      ARG41  HD2 -   ARG41 HH11    d: 2.62 +/- 0.40, weight: 0.2
      ARG41  HD2 -   ARG41 HH12

      TYR47  HB3 -   TYR47    H    d: 2.60 +/- 0.21, weight: 0.2

ref_spec: eng, ref_peak: 484, id: 483, d: 2.40, u: 3.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB3 -   TYR47  HD1    d: 2.67 +/- 0.13, weight: 0.5
      TYR47  HB3 -   TYR47  HD2

      TYR47  HB3 -   TYR47  HD1    d: 2.75 +/- 0.13, weight: 0.5
      TYR47  HB3 -   TYR47  HD2

ref_spec: eng, ref_peak: 485, id: 484, d: 4.37, u: 5.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB3 -   TYR47  HE1    d: 4.95 +/- 0.04, weight: 0.5
      TYR47  HB3 -   TYR47  HE2

      TYR47  HB3 -   TYR47  HE1    d: 4.97 +/- 0.04, weight: 0.5
      TYR47  HB3 -   TYR47  HE2

ref_spec: eng, ref_peak: 486, id: 485, d: 2.35, u: 2.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB3 -   TYR47   HA    d: 2.73 +/- 0.21, weight: 0.6

      TYR47  HB3 -   TYR47   HA    d: 2.86 +/- 0.21, weight: 0.4

ref_spec: eng, ref_peak: 487, id: 486, d: 3.54, u: 3.88, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41  HD2 -   LEU42   HA    d: 4.02 +/- 0.29, weight: 0.5

      ARG41  HD2 -   LEU42   HA    d: 4.02 +/- 0.29, weight: 0.5

ref_spec: eng, ref_peak: 488, id: 487, d: 2.87, u: 3.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB3 -   ALA43   HA    d: 3.67 +/- 0.77, weight: 0.6

      TYR47  HB3 -   ALA43   HA    d: 4.13 +/- 0.76, weight: 0.3

ref_spec: eng, ref_peak: 489, id: 488, d: 5.24, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB3 -   ASN50  HB3    d: 6.61 +/- 0.83, weight: 0.5

      TYR47  HB3 -   ASN50  HB3    d: 6.68 +/- 0.88, weight: 0.4

ref_spec: eng, ref_peak: 490, id: 489, d: 2.30, u: 5.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41  HD2 -   ARG41  HG2    d: 2.66 +/- 0.10, weight: 0.5
      ARG41  HD2 -   ARG41  HG3

      ARG41  HD2 -   ARG41  HG2    d: 2.66 +/- 0.10, weight: 0.5
      ARG41  HD2 -   ARG41  HG3

ref_spec: eng, ref_peak: 491, id: 490, d: 5.66, u: 6.00, u_viol: 0.09, %_viol: 10.0, viol: no, reliable: no, a_type: A
      ASP38  HB3 -   THR35 HG21    d: 6.03 +/- 0.41, weight: 0.5
      ASP38  HB3 -   THR35 HG22
      ASP38  HB3 -   THR35 HG23

      ASP38  HB3 -   THR35 HG21    d: 6.03 +/- 0.41, weight: 0.5
      ASP38  HB3 -   THR35 HG22
      ASP38  HB3 -   THR35 HG23

ref_spec: eng, ref_peak: 492, id: 491, d: 2.66, u: 3.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB3 -   ALA43  HB1    d: 3.54 +/- 0.63, weight: 0.6
      TYR47  HB3 -   ALA43  HB2
      TYR47  HB3 -   ALA43  HB3

      TYR47  HB3 -   ALA43  HB1    d: 3.93 +/- 0.69, weight: 0.3
      TYR47  HB3 -   ALA43  HB2
      TYR47  HB3 -   ALA43  HB3

ref_spec: eng, ref_peak: 493, id: 492, d: 5.55, u: 6.19, u_viol: 0.10, %_viol: 5.0, viol: no, reliable: no, a_type: A
      TYR47  HB3 -   LEU48 HD11    d: 6.52 +/- 0.75, weight: 0.4
      TYR47  HB3 -   LEU48 HD12
      TYR47  HB3 -   LEU48 HD13

      TYR47  HB3 -   LEU48 HD11    d: 6.05 +/- 0.75, weight: 0.6
      TYR47  HB3 -   LEU48 HD12
      TYR47  HB3 -   LEU48 HD13

ref_spec: eng, ref_peak: 494, id: 493, d: 2.96, u: 4.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33  HB3 -   ASN33 HD22    d: 3.37 +/- 0.73, weight: 0.5

      ASN33  HB3 -   ASN33 HD22    d: 3.41 +/- 0.68, weight: 0.5

ref_spec: eng, ref_peak: 495, id: 494, d: 1.57, u: 2.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33  HB3 -   ASN33  HB2    d: 1.76 +/- 0.00, weight: 0.5

      ASN33  HB3 -   ASN33  HB2    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 496, id: 495, d: 2.27, u: 4.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3  HD2 -    ARG3 HH11    d: 2.55 +/- 0.00, weight: 0.5
       ARG3  HD2 -    ARG3 HH12
       ARG3  HD3 -    ARG3 HH11
       ARG3  HD3 -    ARG3 HH12

       ARG3  HD2 -    ARG3 HH11    d: 2.55 +/- 0.00, weight: 0.5
       ARG3  HD2 -    ARG3 HH12
       ARG3  HD3 -    ARG3 HH11
       ARG3  HD3 -    ARG3 HH12

ref_spec: eng, ref_peak: 497, id: 496, d: 2.29, u: 3.75, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3  HD2 -    ARG3  HG2    d: 2.58 +/- 0.05, weight: 0.5
       ARG3  HD2 -    ARG3  HG3
       ARG3  HD3 -    ARG3  HG2
       ARG3  HD3 -    ARG3  HG3

       ARG3  HD2 -    ARG3  HG2    d: 2.58 +/- 0.05, weight: 0.5
       ARG3  HD2 -    ARG3  HG3
       ARG3  HD3 -    ARG3  HG2
       ARG3  HD3 -    ARG3  HG3

ref_spec: eng, ref_peak: 498, id: 497, d: 2.27, u: 3.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51  HB3 -   HIS51    H    d: 2.18 +/- 0.01, weight: 0.5

      HIS51  HB3 -   HIS51    H    d: 2.18 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 499, id: 498, d: 2.74, u: 2.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51  HB3 -   HIS51  HD2    d: 2.91 +/- 0.08, weight: 0.5

      HIS51  HB3 -   HIS51  HD2    d: 2.91 +/- 0.08, weight: 0.5

ref_spec: eng, ref_peak: 500, id: 499, d: 1.57, u: 2.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51  HB3 -   HIS51  HB2    d: 1.77 +/- 0.00, weight: 0.5

      HIS51  HB3 -   HIS51  HB2    d: 1.77 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 501, id: 500, d: 2.14, u: 3.15, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24  HD2 -   ARG24    H    d: 2.46 +/- 0.48, weight: 0.3

      ARG24  HD2 -   ARG24    H    d: 2.21 +/- 0.60, weight: 0.7

ref_spec: eng, ref_peak: 502, id: 501, d: 2.86, u: 3.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24  HD2 -   ARG24   HA    d: 3.50 +/- 0.51, weight: 0.6

      ARG24  HD2 -   ARG24   HA    d: 3.78 +/- 0.59, weight: 0.4

ref_spec: eng, ref_peak: 503, id: 502, d: 1.57, u: 2.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24  HD2 -   ARG24  HD3    d: 1.76 +/- 0.00, weight: 0.5

      ARG24  HD2 -   ARG24  HD3    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 504, id: 503, d: 2.56, u: 2.78, u_viol: 0.09, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24  HD2 -   ARG24  HB2    d: 2.84 +/- 0.28, weight: 0.6
      ARG24  HD2 -   ARG24  HB3

      ARG24  HD2 -   ARG24  HB2    d: 2.97 +/- 0.26, weight: 0.4
      ARG24  HD2 -   ARG24  HB3

ref_spec: eng, ref_peak: 505, id: 504, d: 2.03, u: 3.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB3 -   CYS40    H    d: 2.42 +/- 0.41, weight: 0.5

      CYS40  HB3 -   CYS40    H    d: 2.38 +/- 0.38, weight: 0.5

ref_spec: eng, ref_peak: 506, id: 505, d: 2.45, u: 3.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HB2 -   TRP21   HA    d: 2.73 +/- 0.27, weight: 0.5

      TRP21  HB2 -   TRP21   HA    d: 2.65 +/- 0.25, weight: 0.5

ref_spec: eng, ref_peak: 507, id: 506, d: 3.00, u: 3.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB3 -   SER37   HA    d: 3.35 +/- 0.44, weight: 0.5

      CYS40  HB3 -   SER37   HA    d: 3.31 +/- 0.45, weight: 0.5

ref_spec: eng, ref_peak: 508, id: 507, d: 4.45, u: 4.23, u_viol: 0.22, %_viol: 80.0, viol: no, reliable: no, a_type: A
      CYS40  HB3 -   LEU36   HA    d: 5.07 +/- 0.61, weight: 0.5

      CYS40  HB3 -   LEU36   HA    d: 5.00 +/- 0.56, weight: 0.5

ref_spec: eng, ref_peak: 509, id: 508, d: 2.35, u: 3.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB3 -   CYS40   HA    d: 2.65 +/- 0.15, weight: 0.5

      CYS40  HB3 -   CYS40   HA    d: 2.64 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 510, id: 509, d: 3.31, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB3 -   VAL15 HG21    d: 4.39 +/- 0.85, weight: 0.3
      CYS40  HB3 -   VAL15 HG22
      CYS40  HB3 -   VAL15 HG23

      CYS40  HB3 -   ILE44 HG21    d: 5.35 +/- 0.40, weight: 0.1
      CYS40  HB3 -   ILE44 HG22
      CYS40  HB3 -   ILE44 HG23

      CYS40  HB3 -   VAL15 HG21    d: 4.42 +/- 0.84, weight: 0.3
      CYS40  HB3 -   VAL15 HG22
      CYS40  HB3 -   VAL15 HG23

      CYS40  HB3 -   ILE44 HG21    d: 5.31 +/- 0.40, weight: 0.1
      CYS40  HB3 -   ILE44 HG22
      CYS40  HB3 -   ILE44 HG23

      CYS40  HB3 -   VAL15 HG21    d: 6.15 +/- 0.72, weight: 0.0
      CYS40  HB3 -   VAL15 HG22
      CYS40  HB3 -   VAL15 HG23

ref_spec: eng, ref_peak: 511, id: 510, d: 4.40, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB3 -   VAL15 HG11    d: 4.72 +/- 0.66, weight: 0.4
      CYS40  HB3 -   VAL15 HG12
      CYS40  HB3 -   VAL15 HG13

      CYS40  HB3 -   VAL15 HG11    d: 4.79 +/- 0.71, weight: 0.4
      CYS40  HB3 -   VAL15 HG12
      CYS40  HB3 -   VAL15 HG13

      CYS40  HB3 -   VAL15 HG11    d: 6.01 +/- 0.94, weight: 0.1
      CYS40  HB3 -   VAL15 HG12
      CYS40  HB3 -   VAL15 HG13

ref_spec: eng, ref_peak: 512, id: 511, d: 6.63, u: 6.00, u_viol: 0.63, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      TRP21  HB2 -   LEU48 HD11    d: 6.06 +/- 0.61, weight: 0.5
      TRP21  HB2 -   LEU48 HD12
      TRP21  HB2 -   LEU48 HD13

      TRP21  HB2 -   LEU48 HD11    d: 6.24 +/- 0.61, weight: 0.5
      TRP21  HB2 -   LEU48 HD12
      TRP21  HB2 -   LEU48 HD13

ref_spec: eng, ref_peak: 513, id: 512, d: 2.53, u: 3.22, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HB2 -   HIS22    H    d: 3.36 +/- 0.50, weight: 0.4

      TRP21  HB2 -   HIS22    H    d: 3.21 +/- 0.53, weight: 0.6

ref_spec: eng, ref_peak: 514, id: 513, d: 2.58, u: 3.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HB2 -   TRP21    H    d: 3.24 +/- 0.52, weight: 0.4

      TRP21  HB2 -   TRP21    H    d: 3.08 +/- 0.57, weight: 0.6

ref_spec: eng, ref_peak: 515, id: 514, d: 4.10, u: 4.60, u_viol: 0.09, %_viol: 5.0, viol: no, reliable: no, a_type: A
      TYR47  HB2 -   GLU46  HB2    d: 5.49 +/- 0.76, weight: 0.2
      TYR47  HB2 -   GLU46  HB3

      TYR47  HB2 -   GLU46  HB2    d: 5.01 +/- 0.85, weight: 0.4
      TYR47  HB2 -   GLU46  HB3

      TYR47  HB2 -   GLU46  HB2    d: 5.35 +/- 0.50, weight: 0.2
      TYR47  HB2 -   GLU46  HB3

ref_spec: eng, ref_peak: 516, id: 515, d: 2.95, u: 3.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HB2 -   ILE17   HB    d: 4.33 +/- 0.31, weight: 0.4

      TRP21  HB2 -   ILE17   HB    d: 4.22 +/- 0.37, weight: 0.4

ref_spec: eng, ref_peak: 517, id: 516, d: 2.26, u: 2.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB2 -   TYR47    H    d: 2.60 +/- 0.21, weight: 0.4

      TYR47  HB2 -   TYR47    H    d: 2.47 +/- 0.21, weight: 0.6

ref_spec: eng, ref_peak: 518, id: 517, d: 2.40, u: 3.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB2 -   TYR47  HD1    d: 2.76 +/- 0.13, weight: 0.5
      TYR47  HB2 -   TYR47  HD2

      TYR47  HB2 -   TYR47  HD1    d: 2.68 +/- 0.13, weight: 0.5
      TYR47  HB2 -   TYR47  HD2

ref_spec: eng, ref_peak: 519, id: 518, d: 4.40, u: 5.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB2 -   TYR47  HE1    d: 4.98 +/- 0.04, weight: 0.5
      TYR47  HB2 -   TYR47  HE2

      TYR47  HB2 -   TYR47  HE1    d: 4.95 +/- 0.04, weight: 0.5
      TYR47  HB2 -   TYR47  HE2

ref_spec: eng, ref_peak: 520, id: 519, d: 2.43, u: 3.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB2 -   TYR47   HA    d: 2.87 +/- 0.21, weight: 0.4

      TYR47  HB2 -   TYR47   HA    d: 2.74 +/- 0.21, weight: 0.6

ref_spec: eng, ref_peak: 521, id: 520, d: 1.57, u: 2.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB2 -   TYR47  HB3    d: 1.76 +/- 0.00, weight: 0.5

      TYR47  HB2 -   TYR47  HB3    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 522, id: 521, d: 4.04, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45   HA -   ASP49    H    d: 4.13 +/- 0.05, weight: 0.5

      LYS45   HA -   ASP49    H    d: 4.13 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 523, id: 522, d: 2.40, u: 3.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45   HA -   LYS45    H    d: 2.79 +/- 0.01, weight: 0.4

      LYS45   HA -   LYS45    H    d: 2.79 +/- 0.01, weight: 0.4

ref_spec: eng, ref_peak: 524, id: 523, d: 4.56, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45   HA -   LEU42   HA    d: 4.77 +/- 0.03, weight: 0.5

      LYS45   HA -   LEU42   HA    d: 4.77 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 525, id: 524, d: 3.16, u: 4.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45   HA -   LEU48 HD11    d: 3.62 +/- 0.16, weight: 0.5
      LYS45   HA -   LEU48 HD12
      LYS45   HA -   LEU48 HD13

      LYS45   HA -   LEU48 HD11    d: 3.62 +/- 0.16, weight: 0.5
      LYS45   HA -   LEU48 HD12
      LYS45   HA -   LEU48 HD13

ref_spec: eng, ref_peak: 526, id: 525, d: 4.45, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30  HE2 -   LYS30    H    d: 4.96 +/- 0.14, weight: 0.5
      LYS30  HE3 -   LYS30    H

      LYS30  HE2 -   LYS30    H    d: 4.96 +/- 0.14, weight: 0.5
      LYS30  HE3 -   LYS30    H

ref_spec: eng, ref_peak: 527, id: 526, d: 3.53, u: 4.01, u_viol: 0.09, %_viol: 10.0, viol: no, reliable: no, a_type: A
      LYS30  HE2 -   GLU27   HA    d: 3.65 +/- 0.83, weight: 0.4
      LYS30  HE3 -   GLU27   HA

      LYS30  HE2 -   GLU27   HA    d: 3.65 +/- 0.83, weight: 0.4
      LYS30  HE3 -   GLU27   HA

ref_spec: eng, ref_peak: 528, id: 527, d: 3.55, u: 6.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30  HE2 -   LYS30  HB3    d: 4.35 +/- 0.72, weight: 0.5
      LYS30  HE3 -   LYS30  HB3

      LYS30  HE2 -   LYS30  HB3    d: 4.35 +/- 0.72, weight: 0.5
      LYS30  HE3 -   LYS30  HB3

ref_spec: eng, ref_peak: 529, id: 528, d: 2.30, u: 2.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30  HE2 -   LYS30  HD2    d: 2.60 +/- 0.05, weight: 0.5
      LYS30  HE2 -   LYS30  HD3
      LYS30  HE3 -   LYS30  HD2
      LYS30  HE3 -   LYS30  HD3

      LYS30  HE2 -   LYS30  HD2    d: 2.60 +/- 0.05, weight: 0.5
      LYS30  HE2 -   LYS30  HD3
      LYS30  HE3 -   LYS30  HD2
      LYS30  HE3 -   LYS30  HD3

ref_spec: eng, ref_peak: 530, id: 529, d: 3.55, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30  HE2 -   LYS30  HB2    d: 4.24 +/- 0.58, weight: 0.5
      LYS30  HE3 -   LYS30  HB2

      LYS30  HE2 -   LYS30  HB2    d: 4.24 +/- 0.58, weight: 0.5
      LYS30  HE3 -   LYS30  HB2

ref_spec: eng, ref_peak: 531, id: 530, d: 2.77, u: 4.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS55  HE2 -   LYS55  HG2    d: 2.98 +/- 0.24, weight: 0.5
      LYS55  HE2 -   LYS55  HG3
      LYS55  HE3 -   LYS55  HG2
      LYS55  HE3 -   LYS55  HG3

      LYS55  HE2 -   LYS55  HG2    d: 2.98 +/- 0.24, weight: 0.5
      LYS55  HE2 -   LYS55  HG3
      LYS55  HE3 -   LYS55  HG2
      LYS55  HE3 -   LYS55  HG3

ref_spec: eng, ref_peak: 532, id: 531, d: 2.83, u: 3.03, u_viol: 0.25, %_viol: 40.0, viol: no, reliable: no, a_type: A
       TYR5  HB2 -    TYR5    H    d: 3.23 +/- 0.47, weight: 0.5
       TYR5  HB3 -    TYR5    H

       TYR5  HB2 -    TYR5    H    d: 3.23 +/- 0.47, weight: 0.5
       TYR5  HB3 -    TYR5    H

ref_spec: eng, ref_peak: 533, id: 532, d: 2.79, u: 3.06, u_viol: 0.34, %_viol: 45.0, viol: no, reliable: no, a_type: A
       TYR5  HB2 -    LYS6    H    d: 2.54 +/- 0.63, weight: 0.5
       TYR5  HB3 -    LYS6    H

       TYR5  HB2 -    LYS6    H    d: 2.54 +/- 0.63, weight: 0.5
       TYR5  HB3 -    LYS6    H

ref_spec: eng, ref_peak: 534, id: 533, d: 4.23, u: 4.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB2 -   TRP21    H    d: 4.86 +/- 0.68, weight: 0.4

      HIS22  HB2 -   TRP21    H    d: 4.63 +/- 0.62, weight: 0.6

ref_spec: eng, ref_peak: 535, id: 534, d: 2.40, u: 3.28, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5  HB2 -    TYR5  HD1    d: 2.69 +/- 0.01, weight: 0.5
       TYR5  HB2 -    TYR5  HD2
       TYR5  HB3 -    TYR5  HD1
       TYR5  HB3 -    TYR5  HD2

       TYR5  HB2 -    TYR5  HD1    d: 2.69 +/- 0.01, weight: 0.5
       TYR5  HB2 -    TYR5  HD2
       TYR5  HB3 -    TYR5  HD1
       TYR5  HB3 -    TYR5  HD2

ref_spec: eng, ref_peak: 536, id: 535, d: 2.30, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5  HB2 -    TYR5   HA    d: 2.65 +/- 0.11, weight: 0.5
       TYR5  HB3 -    TYR5   HA

       TYR5  HB2 -    TYR5   HA    d: 2.65 +/- 0.11, weight: 0.5
       TYR5  HB3 -    TYR5   HA

ref_spec: eng, ref_peak: 537, id: 536, d: 3.94, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB2 -   ASP23   HA    d: 4.31 +/- 0.38, weight: 0.4

      HIS22  HB2 -   ASP23   HA    d: 4.18 +/- 0.38, weight: 0.5

ref_spec: eng, ref_peak: 538, id: 537, d: 7.79, u: 8.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB2 -   ILE17 HG21    d: 9.72 +/- 0.44, weight: 0.4
      HIS22  HB2 -   ILE17 HG22
      HIS22  HB2 -   ILE17 HG23

      HIS22  HB2 -   ILE17 HG21    d: 9.57 +/- 0.44, weight: 0.4
      HIS22  HB2 -   ILE17 HG22
      HIS22  HB2 -   ILE17 HG23

ref_spec: eng, ref_peak: 539, id: 538, d: 2.86, u: 3.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB2 -   ASP23    H    d: 2.58 +/- 0.29, weight: 0.5

      HIS22  HB2 -   ASP23    H    d: 2.54 +/- 0.23, weight: 0.5

ref_spec: eng, ref_peak: 540, id: 539, d: 2.25, u: 3.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB2 -   HIS22    H    d: 2.86 +/- 0.57, weight: 0.4

      HIS22  HB2 -   HIS22    H    d: 2.66 +/- 0.53, weight: 0.6

ref_spec: eng, ref_peak: 541, id: 540, d: 2.83, u: 3.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB2 -   HIS22  HD2    d: 3.44 +/- 0.46, weight: 0.4

      HIS22  HB2 -   HIS22  HD2    d: 3.27 +/- 0.44, weight: 0.6

ref_spec: eng, ref_peak: 542, id: 541, d: 5.21, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB2 -   GLU20   HA    d: 5.24 +/- 0.58, weight: 0.4

       TYR5  HB2 -   GLU20   HA    d: 6.54 +/- 2.56, weight: 0.1
       TYR5  HB3 -   GLU20   HA

      HIS22  HB2 -   GLU20   HA    d: 5.42 +/- 0.67, weight: 0.3

ref_spec: eng, ref_peak: 543, id: 542, d: 2.47, u: 3.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB2 -   HIS22   HA    d: 2.87 +/- 0.16, weight: 0.5

      HIS22  HB2 -   HIS22   HA    d: 2.92 +/- 0.14, weight: 0.5

ref_spec: eng, ref_peak: 544, id: 543, d: 1.57, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB2 -   HIS22  HB3    d: 1.76 +/- 0.00, weight: 0.5

      HIS22  HB2 -   HIS22  HB3    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 545, id: 544, d: 2.61, u: 3.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45  HE2 -   LYS45  HG2    d: 2.94 +/- 0.27, weight: 0.5
      LYS45  HE2 -   LYS45  HG3
      LYS45  HE3 -   LYS45  HG2
      LYS45  HE3 -   LYS45  HG3

      LYS45  HE2 -   LYS45  HG2    d: 2.94 +/- 0.27, weight: 0.5
      LYS45  HE2 -   LYS45  HG3
      LYS45  HE3 -   LYS45  HG2
      LYS45  HE3 -   LYS45  HG3

ref_spec: eng, ref_peak: 546, id: 545, d: 2.60, u: 3.88, u_viol: 0.32, %_viol: 5.0, viol: no, reliable: no, a_type: A
      ASP23  HB3 -   ARG24 HH11    d: 2.35 +/- 0.21, weight: 0.5
      ASP23  HB3 -   ARG24 HH12

      ASP23  HB3 -   ARG24 HH11    d: 2.35 +/- 0.22, weight: 0.5
      ASP23  HB3 -   ARG24 HH12

ref_spec: eng, ref_peak: 547, id: 546, d: 4.61, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23  HB3 -   TRP21   HA    d: 5.17 +/- 0.27, weight: 0.5

      ASP23  HB3 -   TRP21   HA    d: 5.18 +/- 0.28, weight: 0.5

ref_spec: eng, ref_peak: 548, id: 547, d: 2.64, u: 3.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23  HB3 -   GLU20   HA    d: 3.41 +/- 0.41, weight: 0.5

      ASP23  HB3 -   GLU20   HA    d: 3.41 +/- 0.45, weight: 0.5

ref_spec: eng, ref_peak: 549, id: 548, d: 2.59, u: 3.21, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP52  HB3 -   ASP52    H    d: 3.39 +/- 0.28, weight: 0.5

      ASP52  HB3 -   ASP52    H    d: 3.39 +/- 0.28, weight: 0.5

ref_spec: eng, ref_peak: 550, id: 549, d: 1.57, u: 2.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP52  HB3 -   ASP52  HB2    d: 1.76 +/- 0.00, weight: 0.5

      ASP52  HB3 -   ASP52  HB2    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 551, id: 550, d: 4.01, u: 4.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD3 -   TRP21  HH2    d: 4.49 +/- 0.26, weight: 0.3

      PRO18  HD3 -   TRP21    H    d: 4.66 +/- 0.79, weight: 0.3

      PRO18  HD3 -   TRP21  HH2    d: 4.55 +/- 0.27, weight: 0.3

ref_spec: eng, ref_peak: 552, id: 551, d: 2.37, u: 2.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP52  HB3 -   ASP52   HA    d: 2.67 +/- 0.30, weight: 0.5

      ASP52  HB3 -   ASP52   HA    d: 2.67 +/- 0.30, weight: 0.5

ref_spec: eng, ref_peak: 553, id: 552, d: 2.90, u: 3.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD3 -   TRP21  HB3    d: 4.45 +/- 1.30, weight: 0.7

      PRO18  HD3 -   TRP21  HB3    d: 5.11 +/- 1.20, weight: 0.3

ref_spec: eng, ref_peak: 554, id: 553, d: 3.63, u: 4.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD3 -   ILE17 HG21    d: 4.79 +/- 0.31, weight: 0.5
      PRO18  HD3 -   ILE17 HG22
      PRO18  HD3 -   ILE17 HG23

      PRO18  HD3 -   ILE17 HG21    d: 4.69 +/- 0.25, weight: 0.5
      PRO18  HD3 -   ILE17 HG22
      PRO18  HD3 -   ILE17 HG23

ref_spec: eng, ref_peak: 555, id: 554, d: 2.23, u: 4.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD3 -   PRO18  HG2    d: 2.48 +/- 0.21, weight: 0.6

      PRO18  HD3 -   PRO18  HG2    d: 2.57 +/- 0.19, weight: 0.4

ref_spec: eng, ref_peak: 556, id: 555, d: 3.72, u: 4.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33  HB2 -   LEU34    H    d: 4.54 +/- 0.01, weight: 0.5

      ASN33  HB2 -   LEU34    H    d: 4.54 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 557, id: 556, d: 3.21, u: 3.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33  HB2 -   ASN33    H    d: 3.26 +/- 0.32, weight: 0.5

      ASN33  HB2 -   ASN33    H    d: 3.26 +/- 0.32, weight: 0.5

ref_spec: eng, ref_peak: 558, id: 557, d: 2.81, u: 3.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33  HB2 -   ASN33 HD22    d: 3.27 +/- 0.61, weight: 0.5

      ASN33  HB2 -   ASN33 HD22    d: 3.26 +/- 0.60, weight: 0.5

ref_spec: eng, ref_peak: 559, id: 558, d: 2.44, u: 2.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33  HB2 -   ASN33   HA    d: 2.41 +/- 0.07, weight: 0.5

      ASN33  HB2 -   ASN33   HA    d: 2.41 +/- 0.07, weight: 0.5

ref_spec: eng, ref_peak: 560, id: 559, d: 5.13, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33  HB2 -   LYS30   HA    d: 4.59 +/- 0.03, weight: 0.5

      ASN33  HB2 -   LYS30   HA    d: 4.59 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 561, id: 560, d: 4.31, u: 4.26, u_viol: 0.05, %_viol: 5.0, viol: no, reliable: no, a_type: A
      TYR16  HB3 -   ILE11    H    d: 4.74 +/- 0.72, weight: 0.5

      TYR16  HB3 -   ILE11    H    d: 4.62 +/- 0.69, weight: 0.5

ref_spec: eng, ref_peak: 562, id: 561, d: 2.33, u: 3.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB3 -   TYR16    H    d: 2.86 +/- 0.58, weight: 0.6

      TYR16  HB3 -   TYR16    H    d: 2.97 +/- 0.57, weight: 0.4

ref_spec: eng, ref_peak: 563, id: 562, d: 2.41, u: 3.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB3 -   TYR16  HD1    d: 2.76 +/- 0.20, weight: 0.5
      TYR16  HB3 -   TYR16  HD2

      TYR16  HB3 -   TYR16  HD1    d: 2.83 +/- 0.21, weight: 0.5
      TYR16  HB3 -   TYR16  HD2

ref_spec: eng, ref_peak: 564, id: 563, d: 4.42, u: 4.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB3 -   TYR16  HE1    d: 4.98 +/- 0.05, weight: 0.5
      TYR16  HB3 -   TYR16  HE2

      TYR16  HB3 -   TYR16  HE1    d: 4.99 +/- 0.05, weight: 0.5
      TYR16  HB3 -   TYR16  HE2

ref_spec: eng, ref_peak: 565, id: 564, d: 2.51, u: 3.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB3 -   TYR16   HA    d: 2.84 +/- 0.12, weight: 0.5

      TYR16  HB3 -   TYR16   HA    d: 2.82 +/- 0.12, weight: 0.5

ref_spec: eng, ref_peak: 566, id: 565, d: 2.14, u: 2.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49  HB3 -   ASP49    H    d: 2.28 +/- 0.10, weight: 0.5

      ASP49  HB3 -   ASP49    H    d: 2.28 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 567, id: 566, d: 2.31, u: 3.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49  HB3 -   ASP49   HA    d: 2.68 +/- 0.16, weight: 0.5

      ASP49  HB3 -   ASP49   HA    d: 2.66 +/- 0.15, weight: 0.5

ref_spec: eng, ref_peak: 568, id: 567, d: 2.37, u: 3.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49  HB3 -   GLU46   HA    d: 2.05 +/- 0.25, weight: 0.5

      ASP49  HB3 -   GLU46   HA    d: 2.02 +/- 0.17, weight: 0.5

ref_spec: eng, ref_peak: 569, id: 568, d: 1.57, u: 2.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HG3 -   GLU46  HG2    d: 1.76 +/- 0.00, weight: 0.5

      GLU46  HG3 -   GLU46  HG2    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 570, id: 569, d: 2.21, u: 3.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HG3 -   GLU46  HB2    d: 2.44 +/- 0.10, weight: 0.5
      GLU46  HG3 -   GLU46  HB3

      GLU46  HG3 -   GLU46  HB2    d: 2.42 +/- 0.05, weight: 0.5
      GLU46  HG3 -   GLU46  HB3

ref_spec: eng, ref_peak: 571, id: 570, d: 4.23, u: 4.76, u_viol: 0.16, %_viol: 5.0, viol: no, reliable: no, a_type: A
      ASP49  HB3 -   LYS45  HG2    d: 4.04 +/- 0.33, weight: 0.5
      ASP49  HB3 -   LYS45  HG3

      ASP49  HB3 -   LYS45  HG2    d: 3.99 +/- 0.29, weight: 0.5
      ASP49  HB3 -   LYS45  HG3

ref_spec: eng, ref_peak: 572, id: 571, d: 2.44, u: 2.51, u_viol: 0.13, %_viol: 20.0, viol: no, reliable: no, a_type: A
      ASP52  HB2 -   ASP52    H    d: 2.78 +/- 0.18, weight: 0.5

      ASP52  HB2 -   ASP52    H    d: 2.78 +/- 0.18, weight: 0.5

ref_spec: eng, ref_peak: 573, id: 572, d: 2.93, u: 3.72, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ASN9  HB2 -    ASN9 HD21    d: 3.47 +/- 0.49, weight: 0.5
       ASN9  HB3 -    ASN9 HD21

       ASN9  HB2 -    ASN9 HD21    d: 3.52 +/- 0.45, weight: 0.5
       ASN9  HB3 -    ASN9 HD21

ref_spec: eng, ref_peak: 574, id: 573, d: 5.97, u: 6.57, u_viol: 0.40, %_viol: 5.0, viol: no, reliable: no, a_type: A
       ASN9  HB2 -    LEU7 HD21    d: 9.29 +/- 1.23, weight: 0.1
       ASN9  HB2 -    LEU7 HD22
       ASN9  HB2 -    LEU7 HD23
       ASN9  HB3 -    LEU7 HD21
       ASN9  HB3 -    LEU7 HD22
       ASN9  HB3 -    LEU7 HD23

       ASN9  HB2 -    LEU8 HD11    d: 8.20 +/- 0.93, weight: 0.2
       ASN9  HB2 -    LEU8 HD12
       ASN9  HB2 -    LEU8 HD13
       ASN9  HB3 -    LEU8 HD11
       ASN9  HB3 -    LEU8 HD12
       ASN9  HB3 -    LEU8 HD13

      ASP38  HB2 -   ILE44 HD11    d: 8.69 +/- 0.21, weight: 0.1
      ASP38  HB2 -   ILE44 HD12
      ASP38  HB2 -   ILE44 HD13

       ASN9  HB2 -    LEU7 HD21    d: 9.29 +/- 1.23, weight: 0.1
       ASN9  HB2 -    LEU7 HD22
       ASN9  HB2 -    LEU7 HD23
       ASN9  HB3 -    LEU7 HD21
       ASN9  HB3 -    LEU7 HD22
       ASN9  HB3 -    LEU7 HD23

       ASN9  HB2 -    LEU8 HD11    d: 8.20 +/- 0.93, weight: 0.2
       ASN9  HB2 -    LEU8 HD12
       ASN9  HB2 -    LEU8 HD13
       ASN9  HB3 -    LEU8 HD11
       ASN9  HB3 -    LEU8 HD12
       ASN9  HB3 -    LEU8 HD13

      ASP38  HB2 -   ILE44 HD11    d: 8.70 +/- 0.22, weight: 0.1
      ASP38  HB2 -   ILE44 HD12
      ASP38  HB2 -   ILE44 HD13

ref_spec: eng, ref_peak: 575, id: 574, d: 2.87, u: 3.76, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50  HB3 -   HIS51    H    d: 3.63 +/- 0.41, weight: 0.5

      ASN50  HB3 -   HIS51    H    d: 3.68 +/- 0.42, weight: 0.5

ref_spec: eng, ref_peak: 576, id: 575, d: 2.44, u: 3.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50  HB3 -   ASN50 HD22    d: 3.21 +/- 0.59, weight: 0.6

      ASN50  HB3 -   ASN50 HD22    d: 3.38 +/- 0.54, weight: 0.4

ref_spec: eng, ref_peak: 577, id: 576, d: 2.67, u: 3.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50  HB3 -   ASN50 HD21    d: 3.27 +/- 0.73, weight: 0.4

      ASN50  HB3 -   ASN50 HD21    d: 3.18 +/- 0.68, weight: 0.5

ref_spec: eng, ref_peak: 578, id: 577, d: 2.48, u: 3.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50  HB3 -   ASN50   HA    d: 2.76 +/- 0.26, weight: 0.5

      ASN50  HB3 -   ASN50   HA    d: 2.73 +/- 0.27, weight: 0.5

ref_spec: eng, ref_peak: 579, id: 578, d: 2.75, u: 3.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49  HB2 -   ASN50    H    d: 3.04 +/- 0.62, weight: 0.5

      ASP49  HB2 -   ASN50    H    d: 2.99 +/- 0.60, weight: 0.5

ref_spec: eng, ref_peak: 580, id: 579, d: 2.54, u: 2.68, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49  HB2 -   ASP49   HA    d: 2.84 +/- 0.31, weight: 0.5

      ASP49  HB2 -   ASP49   HA    d: 2.86 +/- 0.30, weight: 0.5

ref_spec: eng, ref_peak: 581, id: 580, d: 2.40, u: 3.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49  HB2 -   GLU46   HA    d: 2.46 +/- 0.43, weight: 0.5

      ASP49  HB2 -   GLU46   HA    d: 2.42 +/- 0.43, weight: 0.5

ref_spec: eng, ref_peak: 582, id: 581, d: 4.34, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB2 -   ILE11    H    d: 4.59 +/- 0.73, weight: 0.5

      TYR16  HB2 -   ILE11    H    d: 4.72 +/- 0.76, weight: 0.5

ref_spec: eng, ref_peak: 583, id: 582, d: 3.28, u: 3.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB2 -   ILE17    H    d: 4.03 +/- 0.45, weight: 0.5

      TYR16  HB2 -   ILE17    H    d: 4.11 +/- 0.48, weight: 0.5

ref_spec: eng, ref_peak: 584, id: 583, d: 2.33, u: 3.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB2 -   TYR16    H    d: 2.98 +/- 0.56, weight: 0.4

      TYR16  HB2 -   TYR16    H    d: 2.87 +/- 0.58, weight: 0.6

ref_spec: eng, ref_peak: 585, id: 584, d: 2.41, u: 3.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB2 -   TYR16  HD1    d: 2.81 +/- 0.21, weight: 0.5
      TYR16  HB2 -   TYR16  HD2

      TYR16  HB2 -   TYR16  HD1    d: 2.75 +/- 0.20, weight: 0.5
      TYR16  HB2 -   TYR16  HD2

ref_spec: eng, ref_peak: 586, id: 585, d: 4.42, u: 5.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB2 -   TYR16  HE1    d: 4.99 +/- 0.05, weight: 0.5
      TYR16  HB2 -   TYR16  HE2

      TYR16  HB2 -   TYR16  HE1    d: 4.97 +/- 0.05, weight: 0.5
      TYR16  HB2 -   TYR16  HE2

ref_spec: eng, ref_peak: 587, id: 586, d: 2.51, u: 3.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB2 -   TYR16   HA    d: 2.82 +/- 0.12, weight: 0.5

      TYR16  HB2 -   TYR16   HA    d: 2.83 +/- 0.12, weight: 0.5

ref_spec: eng, ref_peak: 588, id: 587, d: 2.23, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HG3 -   MET26  HB3    d: 2.95 +/- 0.12, weight: 0.5

      MET26  HG3 -   MET26  HB3    d: 2.89 +/- 0.19, weight: 0.5

ref_spec: eng, ref_peak: 589, id: 588, d: 2.18, u: 2.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HG3 -   MET26  HB2    d: 2.38 +/- 0.04, weight: 0.5

      MET26  HG3 -   MET26  HB2    d: 2.40 +/- 0.13, weight: 0.5

ref_spec: eng, ref_peak: 590, id: 589, d: 2.37, u: 2.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51  HB2 -   HIS51   HA    d: 2.79 +/- 0.05, weight: 0.5

      HIS51  HB2 -   HIS51   HA    d: 2.79 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 591, id: 590, d: 4.72, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HG3 -   GLU27   HA    d: 6.19 +/- 0.08, weight: 0.2

      GLU31  HG2 -   GLU27   HA    d: 7.22 +/- 1.63, weight: 0.1
      GLU31  HG3 -   GLU27   HA

      GLU31  HG2 -   LYS30   HA    d: 6.73 +/- 0.75, weight: 0.1
      GLU31  HG3 -   LYS30   HA

      MET26  HG3 -   GLU27   HA    d: 6.22 +/- 0.13, weight: 0.2

      GLU31  HG2 -   LYS30   HA    d: 6.73 +/- 0.75, weight: 0.1
      GLU31  HG3 -   LYS30   HA

ref_spec: eng, ref_peak: 592, id: 591, d: 3.08, u: 2.95, u_viol: 0.13, %_viol: 90.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   SER37   HA    d: 3.52 +/- 0.41, weight: 0.5

      CYS40  HB2 -   SER37   HA    d: 3.55 +/- 0.39, weight: 0.5

ref_spec: eng, ref_peak: 593, id: 592, d: 3.80, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27  HG2 -   ILE28   HA    d: 4.06 +/- 0.02, weight: 0.5
      GLU27  HG3 -   ILE28   HA

      GLU27  HG2 -   ILE28   HA    d: 4.06 +/- 0.02, weight: 0.5
      GLU27  HG3 -   ILE28   HA

ref_spec: eng, ref_peak: 594, id: 593, d: 5.19, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   SER37    H    d: 5.97 +/- 0.34, weight: 0.4

      CYS40  HB2 -   SER37    H    d: 5.92 +/- 0.41, weight: 0.4

ref_spec: eng, ref_peak: 595, id: 594, d: 4.67, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HG2 -   ASP49    H    d: 4.83 +/- 0.41, weight: 0.4

      GLU46  HG2 -   ASP49    H    d: 4.77 +/- 0.38, weight: 0.5

ref_spec: eng, ref_peak: 596, id: 595, d: 2.56, u: 2.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   CYS40    H    d: 2.93 +/- 0.29, weight: 0.5

      CYS40  HB2 -   CYS40    H    d: 2.98 +/- 0.24, weight: 0.5

ref_spec: eng, ref_peak: 597, id: 596, d: 3.22, u: 3.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HG2 -   TYR47   HA    d: 3.44 +/- 0.79, weight: 0.4

      GLU46  HG2 -   TYR47   HA    d: 4.03 +/- 0.37, weight: 0.1

      GLU46  HG2 -   TYR47   HA    d: 3.43 +/- 0.79, weight: 0.4

ref_spec: eng, ref_peak: 598, id: 597, d: 3.44, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   ARG41   HA    d: 5.04 +/- 0.57, weight: 0.1

      CYS40  HB2 -   ARG41   HA    d: 4.01 +/- 0.39, weight: 0.4

      CYS40  HB2 -   ARG41   HA    d: 4.06 +/- 0.49, weight: 0.4

ref_spec: eng, ref_peak: 599, id: 598, d: 5.58, u: 6.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   LEU36   HA    d: 6.21 +/- 0.43, weight: 0.5

      CYS40  HB2 -   LEU36   HA    d: 6.28 +/- 0.26, weight: 0.4

ref_spec: eng, ref_peak: 600, id: 599, d: 2.64, u: 3.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   CYS40   HA    d: 2.90 +/- 0.22, weight: 0.5

      CYS40  HB2 -   CYS40   HA    d: 2.90 +/- 0.20, weight: 0.5

ref_spec: eng, ref_peak: 601, id: 600, d: 6.07, u: 6.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   ILE44   HA    d: 7.16 +/- 0.37, weight: 0.3

      CYS40  HB2 -   ILE44   HA    d: 7.17 +/- 0.37, weight: 0.3

      CYS40  HB2 -   ILE44   HA    d: 7.90 +/- 0.24, weight: 0.2

ref_spec: eng, ref_peak: 602, id: 601, d: 5.41, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   ASP38  HB3    d: 7.52 +/- 0.43, weight: 0.1

      CYS40  HB2 -   ARG41  HD2    d: 6.91 +/- 0.77, weight: 0.2

      CYS40  HB2 -   TYR47  HB3    d: 9.10 +/- 0.50, weight: 0.0

      CYS40  HB2 -   TYR47  HB3    d: 8.92 +/- 0.43, weight: 0.1

      CYS40  HB2 -   ASP38  HB3    d: 7.55 +/- 0.44, weight: 0.1

      CYS40  HB2 -   ARG41  HD2    d: 6.87 +/- 0.74, weight: 0.2

ref_spec: eng, ref_peak: 603, id: 602, d: 1.56, u: 2.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   CYS40  HB3    d: 1.76 +/- 0.00, weight: 0.5

      CYS40  HB2 -   CYS40  HB3    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 604, id: 603, d: 2.62, u: 3.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   VAL15 HG21    d: 3.83 +/- 0.85, weight: 0.4
      CYS40  HB2 -   VAL15 HG22
      CYS40  HB2 -   VAL15 HG23

      CYS40  HB2 -   VAL15 HG21    d: 3.86 +/- 0.86, weight: 0.4
      CYS40  HB2 -   VAL15 HG22
      CYS40  HB2 -   VAL15 HG23

ref_spec: eng, ref_peak: 606, id: 605, d: 3.96, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HG2 -   GLU46    H    d: 3.97 +/- 0.26, weight: 0.5

      GLU46  HG2 -   GLU46    H    d: 3.99 +/- 0.26, weight: 0.5

ref_spec: eng, ref_peak: 607, id: 606, d: 2.30, u: 3.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HG2 -   GLU46  HB2    d: 2.71 +/- 0.05, weight: 0.5
      GLU46  HG2 -   GLU46  HB3

      GLU46  HG2 -   GLU46  HB2    d: 2.69 +/- 0.08, weight: 0.5
      GLU46  HG2 -   GLU46  HB3

ref_spec: eng, ref_peak: 608, id: 607, d: 2.86, u: 3.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50  HB2 -   ASN50    H    d: 2.97 +/- 0.63, weight: 0.5

      ASN50  HB2 -   ASN50    H    d: 2.93 +/- 0.62, weight: 0.5

ref_spec: eng, ref_peak: 609, id: 608, d: 2.22, u: 3.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HG2 -   ASN50 HD22    d: 3.11 +/- 0.98, weight: 0.2

      ASN50  HB2 -   ASN50 HD22    d: 3.18 +/- 0.68, weight: 0.2

      GLU46  HG2 -   ASN50 HD22    d: 2.91 +/- 0.81, weight: 0.3

      ASN50  HB2 -   ASN50 HD22    d: 3.27 +/- 0.73, weight: 0.2

ref_spec: eng, ref_peak: 610, id: 609, d: 2.19, u: 3.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50  HB2 -   ASN50 HD21    d: 3.38 +/- 0.54, weight: 0.1

      GLU46  HG2 -   ASN50 HD21    d: 3.05 +/- 1.01, weight: 0.3

      ASN50  HB2 -   ASN50 HD21    d: 3.21 +/- 0.58, weight: 0.2

      GLU46  HG2 -   ASN50 HD21    d: 3.00 +/- 0.81, weight: 0.3

ref_spec: eng, ref_peak: 611, id: 610, d: 2.27, u: 2.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50  HB2 -   ASN50   HA    d: 2.76 +/- 0.26, weight: 0.5

      ASN50  HB2 -   ASN50   HA    d: 2.73 +/- 0.27, weight: 0.5

ref_spec: eng, ref_peak: 612, id: 611, d: 2.05, u: 1.94, u_viol: 0.14, %_viol: 20.0, viol: no, reliable: no, a_type: A
      GLN19  HG3 -   GLU20    H    d: 3.17 +/- 0.91, weight: 0.4

      GLN19  HG3 -   GLU20    H    d: 2.93 +/- 0.94, weight: 0.6

ref_spec: eng, ref_peak: 613, id: 612, d: 2.30, u: 5.32, u_viol: 0.00, %_viol: 15.0, viol: no, reliable: no, a_type: A
      GLN19  HG2 -   GLU20    H    d: 3.06 +/- 1.10, weight: 0.6

      GLN19  HG2 -   GLU20    H    d: 3.30 +/- 1.04, weight: 0.4

ref_spec: eng, ref_peak: 614, id: 613, d: 2.74, u: 5.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HG3 -   GLN19    H    d: 3.17 +/- 0.53, weight: 0.5

      GLN19  HG3 -   GLN19    H    d: 3.09 +/- 0.58, weight: 0.5

ref_spec: eng, ref_peak: 615, id: 614, d: 2.81, u: 5.01, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HG2 -   GLN19    H    d: 3.12 +/- 0.64, weight: 0.5

      GLN19  HG2 -   GLN19    H    d: 3.20 +/- 0.59, weight: 0.5

ref_spec: eng, ref_peak: 616, id: 615, d: 2.63, u: 4.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HG3 -   GLN19 HE22    d: 2.98 +/- 0.61, weight: 0.4

      GLN19  HG3 -   GLN19 HE22    d: 2.86 +/- 0.60, weight: 0.6

ref_spec: eng, ref_peak: 617, id: 616, d: 2.64, u: 4.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HG2 -   GLN19 HE22    d: 3.01 +/- 0.58, weight: 0.6

      GLN19  HG2 -   GLN19 HE22    d: 3.17 +/- 0.55, weight: 0.4

ref_spec: eng, ref_peak: 618, id: 617, d: 3.37, u: 3.54, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HG3 -   GLN19 HE21    d: 3.79 +/- 0.29, weight: 0.5

      GLN19  HG3 -   GLN19 HE21    d: 3.70 +/- 0.33, weight: 0.5

ref_spec: eng, ref_peak: 619, id: 618, d: 3.39, u: 5.60, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HG2 -   GLN19 HE21    d: 3.80 +/- 0.29, weight: 0.5

      GLN19  HG2 -   GLN19 HE21    d: 3.85 +/- 0.31, weight: 0.5

ref_spec: eng, ref_peak: 620, id: 619, d: 3.35, u: 4.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HG2 -   GLN19   HA    d: 3.80 +/- 0.32, weight: 0.5

      GLN19  HG2 -   GLN19   HA    d: 3.89 +/- 0.33, weight: 0.4

ref_spec: eng, ref_peak: 621, id: 620, d: 2.36, u: 3.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HG3 -   GLN19  HB2    d: 2.67 +/- 0.27, weight: 0.5

      GLN19  HG3 -   GLN19  HB2    d: 2.69 +/- 0.25, weight: 0.5

ref_spec: eng, ref_peak: 622, id: 621, d: 2.11, u: 2.67, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HG2 -   MET26    H    d: 3.01 +/- 0.30, weight: 0.4

      MET26  HG2 -   MET26    H    d: 2.87 +/- 0.38, weight: 0.6

ref_spec: eng, ref_peak: 623, id: 622, d: 2.35, u: 2.72, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31  HB3 -   GLU31    H    d: 2.84 +/- 0.48, weight: 0.4

      GLU31  HB3 -   GLU31    H    d: 2.68 +/- 0.38, weight: 0.6

ref_spec: eng, ref_peak: 624, id: 623, d: 2.58, u: 3.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HG2 -   MET26   HA    d: 2.75 +/- 0.40, weight: 0.5

      MET26  HG2 -   MET26   HA    d: 2.73 +/- 0.33, weight: 0.5

ref_spec: eng, ref_peak: 625, id: 624, d: 2.45, u: 3.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31  HB3 -   GLU31   HA    d: 2.80 +/- 0.28, weight: 0.5

      GLU31  HB3 -   GLU31   HA    d: 2.83 +/- 0.27, weight: 0.5

ref_spec: eng, ref_peak: 626, id: 625, d: 2.57, u: 3.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31  HB3 -   ILE28   HA    d: 3.27 +/- 0.69, weight: 0.4

      GLU31  HB3 -   ILE28   HA    d: 3.09 +/- 0.53, weight: 0.5

ref_spec: eng, ref_peak: 627, id: 626, d: 1.57, u: 2.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HG2 -   MET26  HG3    d: 1.76 +/- 0.00, weight: 0.5

      MET26  HG2 -   MET26  HG3    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 628, id: 627, d: 1.40, u: 1.92, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27  HB3 -   GLU27  HB2    d: 1.76 +/- 0.00, weight: 0.3

      GLU31  HB3 -   GLU31  HB2    d: 1.76 +/- 0.00, weight: 0.2

      GLU27  HB3 -   GLU27  HB2    d: 1.76 +/- 0.00, weight: 0.3

      GLU31  HB3 -   GLU31  HB2    d: 1.76 +/- 0.00, weight: 0.2

ref_spec: eng, ref_peak: 629, id: 628, d: 5.54, u: 6.00, u_viol: 0.06, %_viol: 5.0, viol: no, reliable: no, a_type: A
      MET26  HG2 -   LEU25 HD11    d: 5.03 +/- 0.77, weight: 0.5
      MET26  HG2 -   LEU25 HD12
      MET26  HG2 -   LEU25 HD13

      MET26  HG2 -   LEU25 HD11    d: 4.95 +/- 0.74, weight: 0.5
      MET26  HG2 -   LEU25 HD12
      MET26  HG2 -   LEU25 HD13

ref_spec: eng, ref_peak: 630, id: 629, d: 2.17, u: 2.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HB3 -    PRO4   HA    d: 2.53 +/- 0.30, weight: 0.4

       PRO4  HB3 -    PRO4   HA    d: 2.43 +/- 0.25, weight: 0.6

ref_spec: eng, ref_peak: 631, id: 630, d: 2.21, u: 3.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HB3 -    PRO4  HG2    d: 2.48 +/- 0.04, weight: 0.5
       PRO4  HB3 -    PRO4  HG3

       PRO4  HB3 -    PRO4  HG2    d: 2.49 +/- 0.04, weight: 0.5
       PRO4  HB3 -    PRO4  HG3

ref_spec: eng, ref_peak: 632, id: 631, d: 6.48, u: 6.00, u_viol: 0.72, %_viol: 90.0, viol: yes, reliable: no, a_type: A
      GLU20  HG2 -   TRP21  HE1    d: 6.09 +/- 0.36, weight: 0.5
      GLU20  HG3 -   TRP21  HE1

      GLU20  HG2 -   TRP21  HE1    d: 6.09 +/- 0.36, weight: 0.5
      GLU20  HG3 -   TRP21  HE1

ref_spec: eng, ref_peak: 633, id: 632, d: 4.01, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD2 -   TRP21  HH2    d: 4.49 +/- 0.27, weight: 0.3

      PRO18  HD2 -   TRP21    H    d: 4.65 +/- 0.80, weight: 0.3

      PRO18  HD2 -   TRP21  HH2    d: 4.54 +/- 0.28, weight: 0.3

ref_spec: eng, ref_peak: 634, id: 633, d: 2.16, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD2 -   ILE17   HA    d: 2.26 +/- 0.49, weight: 0.7

      PRO18  HD2 -   ILE17   HA    d: 2.62 +/- 0.51, weight: 0.3

ref_spec: eng, ref_peak: 635, id: 634, d: 3.40, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD2 -   PRO18   HA    d: 3.83 +/- 0.11, weight: 0.5

      PRO18  HD2 -   PRO18   HA    d: 3.86 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 636, id: 635, d: 3.27, u: 4.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD2 -   TRP21  HB3    d: 4.92 +/- 0.40, weight: 0.4

      PRO18  HD2 -   TRP21  HB3    d: 4.57 +/- 0.75, weight: 0.6

ref_spec: eng, ref_peak: 637, id: 636, d: 1.58, u: 2.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD2 -   PRO18  HD3    d: 1.78 +/- 0.00, weight: 0.5

      PRO18  HD2 -   PRO18  HD3    d: 1.78 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 638, id: 637, d: 3.63, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD2 -   ILE17 HG21    d: 4.79 +/- 0.31, weight: 0.5
      PRO18  HD2 -   ILE17 HG22
      PRO18  HD2 -   ILE17 HG23

      PRO18  HD2 -   ILE17 HG21    d: 4.69 +/- 0.26, weight: 0.5
      PRO18  HD2 -   ILE17 HG22
      PRO18  HD2 -   ILE17 HG23

ref_spec: eng, ref_peak: 639, id: 638, d: 2.25, u: 3.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD2 -   PRO18  HG2    d: 2.54 +/- 0.18, weight: 0.4

      PRO18  HD2 -   PRO18  HG2    d: 2.44 +/- 0.18, weight: 0.6

ref_spec: eng, ref_peak: 640, id: 639, d: 2.35, u: 2.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31  HB2 -   GLU31    H    d: 2.67 +/- 0.38, weight: 0.6

      GLU31  HB2 -   GLU31    H    d: 2.83 +/- 0.49, weight: 0.4

ref_spec: eng, ref_peak: 641, id: 640, d: 4.75, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20  HG2 -   TRP21  HD1    d: 4.94 +/- 0.17, weight: 0.5
      GLU20  HG3 -   TRP21  HD1

      GLU20  HG2 -   TRP21  HD1    d: 4.94 +/- 0.17, weight: 0.5
      GLU20  HG3 -   TRP21  HD1

ref_spec: eng, ref_peak: 642, id: 641, d: 2.32, u: 2.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31  HB2 -   GLU31   HA    d: 2.70 +/- 0.27, weight: 0.5

      GLU31  HB2 -   GLU31   HA    d: 2.67 +/- 0.27, weight: 0.5

ref_spec: eng, ref_peak: 643, id: 642, d: 2.09, u: 3.11, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20  HG2 -   GLU20    H    d: 2.14 +/- 0.04, weight: 0.5
      GLU20  HG3 -   GLU20    H

      GLU20  HG2 -   GLU20    H    d: 2.14 +/- 0.03, weight: 0.5
      GLU20  HG3 -   GLU20    H

ref_spec: eng, ref_peak: 644, id: 643, d: 3.99, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19    H -   GLU20  HG2    d: 4.19 +/- 0.04, weight: 0.5
      GLN19    H -   GLU20  HG3

      GLN19    H -   GLU20  HG2    d: 4.19 +/- 0.04, weight: 0.5
      GLN19    H -   GLU20  HG3

ref_spec: eng, ref_peak: 645, id: 644, d: 2.73, u: 2.61, u_viol: 0.41, %_viol: 45.0, viol: no, reliable: no, a_type: A
      GLU20  HG2 -   GLU20   HA    d: 2.96 +/- 0.21, weight: 0.5
      GLU20  HG3 -   GLU20   HA

      GLU20  HG2 -   GLU20   HA    d: 2.96 +/- 0.21, weight: 0.5
      GLU20  HG3 -   GLU20   HA

ref_spec: eng, ref_peak: 646, id: 645, d: 4.96, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27  HB3 -   MET26  HB3    d: 6.13 +/- 0.24, weight: 0.5

      GLU27  HB3 -   MET26  HB3    d: 6.13 +/- 0.25, weight: 0.5

ref_spec: eng, ref_peak: 647, id: 646, d: 1.56, u: 2.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HB3 -   GLN19  HB2    d: 1.76 +/- 0.00, weight: 0.5

      GLN19  HB3 -   GLN19  HB2    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 648, id: 647, d: 2.35, u: 3.26, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27  HB2 -   ILE28    H    d: 3.20 +/- 0.66, weight: 0.5

      GLU27  HB2 -   ILE28    H    d: 3.20 +/- 0.67, weight: 0.5

ref_spec: eng, ref_peak: 649, id: 648, d: 2.22, u: 3.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HB3 -   GLN19   HA    d: 2.46 +/- 0.12, weight: 0.5

      GLN19  HB3 -   GLN19   HA    d: 2.47 +/- 0.13, weight: 0.5

ref_spec: eng, ref_peak: 650, id: 649, d: 2.26, u: 2.82, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HB2 -   GLU46    H    d: 2.36 +/- 0.08, weight: 0.5
      GLU46  HB3 -   GLU46    H

      GLU46  HB2 -   GLU46    H    d: 2.36 +/- 0.08, weight: 0.5
      GLU46  HB3 -   GLU46    H

ref_spec: eng, ref_peak: 651, id: 650, d: 2.59, u: 4.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HB2 -   TYR47  HD1    d: 3.51 +/- 0.39, weight: 0.5
      GLU46  HB2 -   TYR47  HD2
      GLU46  HB3 -   TYR47  HD1
      GLU46  HB3 -   TYR47  HD2

      GLU46  HB2 -   TYR47  HD1    d: 3.51 +/- 0.39, weight: 0.5
      GLU46  HB2 -   TYR47  HD2
      GLU46  HB3 -   TYR47  HD1
      GLU46  HB3 -   TYR47  HD2

ref_spec: eng, ref_peak: 652, id: 651, d: 3.25, u: 7.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HB2 -   TYR47  HE1    d: 4.41 +/- 0.48, weight: 0.5
      GLU46  HB2 -   TYR47  HE2
      GLU46  HB3 -   TYR47  HE1
      GLU46  HB3 -   TYR47  HE2

      GLU46  HB2 -   TYR47  HE1    d: 4.41 +/- 0.48, weight: 0.5
      GLU46  HB2 -   TYR47  HE2
      GLU46  HB3 -   TYR47  HE1
      GLU46  HB3 -   TYR47  HE2

ref_spec: eng, ref_peak: 653, id: 652, d: 2.27, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HB2 -   GLU46   HA    d: 2.53 +/- 0.06, weight: 0.4
      GLU46  HB3 -   GLU46   HA

      GLU46  HB2 -   GLU46   HA    d: 2.53 +/- 0.06, weight: 0.4
      GLU46  HB3 -   GLU46   HA

ref_spec: eng, ref_peak: 654, id: 653, d: 2.43, u: 3.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HB -   CYS40    H    d: 2.90 +/- 0.06, weight: 0.5

      VAL39   HB -   CYS40    H    d: 2.90 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 655, id: 654, d: 2.50, u: 3.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HB -   LEU36   HA    d: 2.99 +/- 0.18, weight: 0.5

      VAL39   HB -   LEU36   HA    d: 2.99 +/- 0.18, weight: 0.5

ref_spec: eng, ref_peak: 656, id: 655, d: 2.28, u: 2.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HB -   VAL39 HG21    d: 2.56 +/- 0.00, weight: 0.5
      VAL39   HB -   VAL39 HG22
      VAL39   HB -   VAL39 HG23

      VAL39   HB -   VAL39 HG21    d: 2.56 +/- 0.00, weight: 0.5
      VAL39   HB -   VAL39 HG22
      VAL39   HB -   VAL39 HG23

ref_spec: eng, ref_peak: 657, id: 656, d: 2.28, u: 3.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HB -   VAL39 HG11    d: 2.56 +/- 0.00, weight: 0.5
      VAL39   HB -   VAL39 HG12
      VAL39   HB -   VAL39 HG13

      VAL39   HB -   VAL39 HG11    d: 2.56 +/- 0.00, weight: 0.5
      VAL39   HB -   VAL39 HG12
      VAL39   HB -   VAL39 HG13

ref_spec: eng, ref_peak: 658, id: 657, d: 2.54, u: 3.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20  HB2 -   GLU20    H    d: 2.92 +/- 0.03, weight: 0.5
      GLU20  HB3 -   GLU20    H

      GLU20  HB2 -   GLU20    H    d: 2.92 +/- 0.03, weight: 0.5
      GLU20  HB3 -   GLU20    H

ref_spec: eng, ref_peak: 659, id: 658, d: 2.26, u: 2.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HB2 -   MET26    H    d: 2.66 +/- 0.04, weight: 0.5

      MET26  HB2 -   MET26    H    d: 2.66 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 660, id: 659, d: 2.89, u: 4.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20  HB2 -   TRP21    H    d: 3.13 +/- 0.08, weight: 0.5
      GLU20  HB3 -   TRP21    H

      GLU20  HB2 -   TRP21    H    d: 3.13 +/- 0.08, weight: 0.5
      GLU20  HB3 -   TRP21    H

ref_spec: eng, ref_peak: 661, id: 660, d: 3.17, u: 4.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20  HB2 -   TRP21  HD1    d: 2.67 +/- 0.17, weight: 0.5
      GLU20  HB3 -   TRP21  HD1

      GLU20  HB2 -   TRP21  HD1    d: 2.67 +/- 0.17, weight: 0.5
      GLU20  HB3 -   TRP21  HD1

ref_spec: eng, ref_peak: 662, id: 661, d: 3.95, u: 4.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20  HB2 -   TRP21   HA    d: 4.49 +/- 0.02, weight: 0.4
      GLU20  HB3 -   TRP21   HA

      GLU20  HB2 -   TRP21   HA    d: 4.49 +/- 0.02, weight: 0.4
      GLU20  HB3 -   TRP21   HA

ref_spec: eng, ref_peak: 663, id: 662, d: 4.43, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HB2 -   GLU27  HB3    d: 4.97 +/- 0.32, weight: 0.5

      MET26  HB2 -   GLU27  HB3    d: 4.96 +/- 0.33, weight: 0.5

ref_spec: eng, ref_peak: 664, id: 663, d: 4.50, u: 4.35, u_viol: 0.31, %_viol: 65.0, viol: no, reliable: no, a_type: A
      MET26  HB2 -   ALA29  HB1    d: 4.90 +/- 0.07, weight: 0.5
      MET26  HB2 -   ALA29  HB2
      MET26  HB2 -   ALA29  HB3

      MET26  HB2 -   ALA29  HB1    d: 4.90 +/- 0.07, weight: 0.5
      MET26  HB2 -   ALA29  HB2
      MET26  HB2 -   ALA29  HB3

ref_spec: eng, ref_peak: 665, id: 664, d: 5.21, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HB2 -   LEU25   HG    d: 7.40 +/- 0.08, weight: 0.1

      MET26  HB2 -   ILE28 HG12    d: 6.64 +/- 0.51, weight: 0.2

      MET26  HB2 -   LEU36 HD21    d: 7.48 +/- 0.42, weight: 0.1
      MET26  HB2 -   LEU36 HD22
      MET26  HB2 -   LEU36 HD23

      MET26  HB2 -   LEU25   HG    d: 7.40 +/- 0.08, weight: 0.1

      MET26  HB2 -   ILE28 HG12    d: 6.64 +/- 0.54, weight: 0.2

      MET26  HB2 -   LEU36 HD21    d: 7.48 +/- 0.42, weight: 0.1
      MET26  HB2 -   LEU36 HD22
      MET26  HB2 -   LEU36 HD23

ref_spec: eng, ref_peak: 666, id: 665, d: 5.65, u: 6.00, u_viol: 0.12, %_viol: 5.0, viol: no, reliable: no, a_type: A
      MET26  HB2 -   LEU25 HD11    d: 6.57 +/- 0.35, weight: 0.2
      MET26  HB2 -   LEU25 HD12
      MET26  HB2 -   LEU25 HD13

      MET26  HB2 -   ILE28 HD11    d: 8.39 +/- 0.09, weight: 0.1
      MET26  HB2 -   ILE28 HD12
      MET26  HB2 -   ILE28 HD13

      MET26  HB2 -   LEU36 HD11    d: 7.36 +/- 0.50, weight: 0.1
      MET26  HB2 -   LEU36 HD12
      MET26  HB2 -   LEU36 HD13

      MET26  HB2 -   LEU25 HD11    d: 6.57 +/- 0.35, weight: 0.2
      MET26  HB2 -   LEU25 HD12
      MET26  HB2 -   LEU25 HD13

      MET26  HB2 -   ILE28 HD11    d: 8.39 +/- 0.09, weight: 0.1
      MET26  HB2 -   ILE28 HD12
      MET26  HB2 -   ILE28 HD13

      MET26  HB2 -   LEU36 HD11    d: 7.36 +/- 0.50, weight: 0.1
      MET26  HB2 -   LEU36 HD12
      MET26  HB2 -   LEU36 HD13

ref_spec: eng, ref_peak: 667, id: 666, d: 3.26, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54  HB3 -   GLN54    H    d: 3.56 +/- 0.51, weight: 0.4

      GLN54  HB3 -   GLN54    H    d: 3.43 +/- 0.50, weight: 0.6

ref_spec: eng, ref_peak: 668, id: 667, d: 1.57, u: 1.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54  HB3 -   GLN54  HB2    d: 1.76 +/- 0.00, weight: 0.5

      GLN54  HB3 -   GLN54  HB2    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 669, id: 668, d: 3.43, u: 3.50, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HB2 -   GLU20    H    d: 3.87 +/- 0.34, weight: 0.5

      GLN19  HB2 -   GLU20    H    d: 3.86 +/- 0.34, weight: 0.5

ref_spec: eng, ref_peak: 670, id: 669, d: 2.51, u: 3.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HB2 -   GLN19    H    d: 2.94 +/- 0.61, weight: 0.5

      GLN19  HB2 -   GLN19    H    d: 2.85 +/- 0.59, weight: 0.5

ref_spec: eng, ref_peak: 671, id: 670, d: 3.39, u: 3.87, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HB -   TRP21  HH2    d: 4.11 +/- 0.57, weight: 0.5

      ILE44   HB -   TRP21  HH2    d: 4.11 +/- 0.58, weight: 0.5

ref_spec: eng, ref_peak: 672, id: 671, d: 3.75, u: 4.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HB -   TRP21  HZ3    d: 3.79 +/- 0.22, weight: 0.5

      ILE44   HB -   TRP21  HZ3    d: 3.79 +/- 0.22, weight: 0.5

ref_spec: eng, ref_peak: 673, id: 672, d: 3.88, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HB -   ARG41   HA    d: 4.45 +/- 0.23, weight: 0.5

      ILE44   HB -   ARG41   HA    d: 4.45 +/- 0.23, weight: 0.5

ref_spec: eng, ref_peak: 674, id: 673, d: 2.18, u: 2.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HB2 -   GLN19   HA    d: 2.51 +/- 0.19, weight: 0.5

      GLN19  HB2 -   GLN19   HA    d: 2.52 +/- 0.19, weight: 0.5

ref_spec: eng, ref_peak: 675, id: 674, d: 2.55, u: 3.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HB -   ILE44   HA    d: 2.87 +/- 0.05, weight: 0.5

      ILE44   HB -   ILE44   HA    d: 2.87 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 676, id: 675, d: 2.67, u: 3.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HB -   ILE44 HG12    d: 2.97 +/- 0.09, weight: 0.5

      ILE44   HB -   ILE44 HG12    d: 2.97 +/- 0.08, weight: 0.5

ref_spec: eng, ref_peak: 677, id: 676, d: 4.76, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HB -   LEU25   HG    d: 3.59 +/- 0.27, weight: 0.5

      ILE44   HB -   LEU25   HG    d: 3.59 +/- 0.28, weight: 0.5

ref_spec: eng, ref_peak: 678, id: 677, d: 2.78, u: 2.74, u_viol: 0.25, %_viol: 30.0, viol: no, reliable: no, a_type: A
      ILE44   HB -   ILE44 HD11    d: 3.21 +/- 0.11, weight: 0.5
      ILE44   HB -   ILE44 HD12
      ILE44   HB -   ILE44 HD13

      ILE44   HB -   ILE44 HD11    d: 3.21 +/- 0.11, weight: 0.5
      ILE44   HB -   ILE44 HD12
      ILE44   HB -   ILE44 HD13

ref_spec: eng, ref_peak: 679, id: 678, d: 4.41, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30  HB3 -   ALA29    H    d: 5.04 +/- 0.03, weight: 0.5

      LYS30  HB3 -   ALA29    H    d: 5.04 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 680, id: 679, d: 2.29, u: 2.32, u_viol: 0.16, %_viol: 5.0, viol: no, reliable: no, a_type: A
      LYS32  HB3 -   LYS32    H    d: 2.89 +/- 0.61, weight: 0.6

      LYS32  HB3 -   LYS32    H    d: 3.01 +/- 0.62, weight: 0.4

ref_spec: eng, ref_peak: 681, id: 680, d: 3.16, u: 3.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HG2 -    PRO4   HA    d: 3.63 +/- 0.30, weight: 0.5
       PRO4  HG3 -    PRO4   HA

       PRO4  HG2 -    PRO4   HA    d: 3.63 +/- 0.30, weight: 0.5
       PRO4  HG3 -    PRO4   HA

ref_spec: eng, ref_peak: 682, id: 681, d: 2.45, u: 2.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HB3 -   LYS32   HA    d: 2.81 +/- 0.23, weight: 0.5

      LYS32  HB3 -   LYS32   HA    d: 2.76 +/- 0.23, weight: 0.5

ref_spec: eng, ref_peak: 683, id: 682, d: 2.22, u: 2.92, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HG2 -    PRO4  HD2    d: 2.49 +/- 0.03, weight: 0.5
       PRO4  HG3 -    PRO4  HD2

       PRO4  HG2 -    PRO4  HD2    d: 2.47 +/- 0.03, weight: 0.5
       PRO4  HG3 -    PRO4  HD2

ref_spec: eng, ref_peak: 684, id: 683, d: 2.63, u: 2.72, u_viol: 0.44, %_viol: 5.0, viol: no, reliable: no, a_type: A
      LYS32  HB3 -   LYS32  HD2    d: 3.18 +/- 0.56, weight: 0.5
      LYS32  HB3 -   LYS32  HD3

      LYS32  HB3 -   LYS32  HD2    d: 3.11 +/- 0.56, weight: 0.5
      LYS32  HB3 -   LYS32  HD3

ref_spec: eng, ref_peak: 685, id: 684, d: 1.54, u: 2.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HB3 -   LYS32  HB2    d: 1.76 +/- 0.00, weight: 0.5

      LYS32  HB3 -   LYS32  HB2    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 686, id: 685, d: 2.27, u: 2.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30  HB3 -   GLU31    H    d: 2.57 +/- 0.04, weight: 0.5

      LYS30  HB3 -   GLU31    H    d: 2.56 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 687, id: 686, d: 2.56, u: 3.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30  HB3 -   GLU27   HA    d: 3.40 +/- 0.07, weight: 0.2

      LYS30  HB3 -   LYS30   HA    d: 3.03 +/- 0.00, weight: 0.3

      LYS30  HB3 -   LYS30   HA    d: 3.03 +/- 0.00, weight: 0.3

ref_spec: eng, ref_peak: 688, id: 687, d: 2.87, u: 3.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54  HB2 -   GLN54    H    d: 3.52 +/- 0.43, weight: 0.6

      GLN54  HB2 -   GLN54    H    d: 3.65 +/- 0.41, weight: 0.4

ref_spec: eng, ref_peak: 689, id: 688, d: 3.05, u: 3.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HB3 -   TRP21    H    d: 3.12 +/- 0.66, weight: 0.8

      PRO18  HB3 -   TRP21    H    d: 3.82 +/- 0.79, weight: 0.2

ref_spec: eng, ref_peak: 690, id: 689, d: 4.63, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HB3 -   ILE17   HA    d: 5.30 +/- 0.14, weight: 0.5

      PRO18  HB3 -   ILE17   HA    d: 5.25 +/- 0.13, weight: 0.5

ref_spec: eng, ref_peak: 691, id: 690, d: 3.18, u: 3.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HB3 -   PRO18  HD3    d: 3.69 +/- 0.42, weight: 0.5

      PRO18  HB3 -   PRO18  HD3    d: 3.65 +/- 0.44, weight: 0.5

ref_spec: eng, ref_peak: 692, id: 691, d: 2.29, u: 2.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54  HB2 -   GLN54  HG2    d: 2.61 +/- 0.06, weight: 0.5
      GLN54  HB2 -   GLN54  HG3

      GLN54  HB2 -   GLN54  HG2    d: 2.62 +/- 0.05, weight: 0.5
      GLN54  HB2 -   GLN54  HG3

ref_spec: eng, ref_peak: 693, id: 692, d: 2.63, u: 4.01, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HB3 -   GLN19    H    d: 3.35 +/- 0.27, weight: 0.6

      PRO18  HB3 -   GLN19    H    d: 3.49 +/- 0.24, weight: 0.4

ref_spec: eng, ref_peak: 694, id: 693, d: 2.41, u: 3.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34  HB3 -   LEU34   HA    d: 2.86 +/- 0.26, weight: 0.3

      LEU34  HB3 -   LEU34   HA    d: 2.58 +/- 0.26, weight: 0.7

ref_spec: eng, ref_peak: 695, id: 694, d: 2.72, u: 3.03, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34  HB3 -   ASP38  HB2    d: 3.77 +/- 0.59, weight: 0.2

      LEU34  HB3 -   ASP38  HB2    d: 3.14 +/- 0.59, weight: 0.7

ref_spec: eng, ref_peak: 696, id: 695, d: 3.36, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34  HB3 -   VAL39 HG21    d: 3.38 +/- 0.26, weight: 0.6
      LEU34  HB3 -   VAL39 HG22
      LEU34  HB3 -   VAL39 HG23

      LEU34  HB3 -   VAL39 HG21    d: 3.63 +/- 0.25, weight: 0.4
      LEU34  HB3 -   VAL39 HG22
      LEU34  HB3 -   VAL39 HG23

ref_spec: eng, ref_peak: 697, id: 696, d: 2.25, u: 4.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HB3 -   PRO18  HG2    d: 2.56 +/- 0.19, weight: 0.4

      PRO18  HB3 -   PRO18  HG2    d: 2.42 +/- 0.20, weight: 0.6

ref_spec: eng, ref_peak: 698, id: 697, d: 4.46, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17   HB -   ARG41   HA    d: 4.30 +/- 0.10, weight: 0.4

      ILE17   HB -   ARG41   HA    d: 4.30 +/- 0.10, weight: 0.4

ref_spec: eng, ref_peak: 699, id: 698, d: 3.26, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24  HG2 -   ARG24    H    d: 3.45 +/- 0.44, weight: 0.5
      ARG24  HG3 -   ARG24    H

      ARG24  HG2 -   ARG24    H    d: 3.45 +/- 0.44, weight: 0.5
      ARG24  HG3 -   ARG24    H

ref_spec: eng, ref_peak: 700, id: 699, d: 2.34, u: 2.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24  HG2 -   ARG24  HD2    d: 2.63 +/- 0.03, weight: 0.5
      ARG24  HG3 -   ARG24  HD2

      ARG24  HG2 -   ARG24  HD2    d: 2.63 +/- 0.03, weight: 0.5
      ARG24  HG3 -   ARG24  HD2

ref_spec: eng, ref_peak: 701, id: 700, d: 2.38, u: 3.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36  HB3 -   LEU36    H    d: 2.50 +/- 0.43, weight: 0.4

      LEU36  HB3 -   LEU36    H    d: 2.34 +/- 0.17, weight: 0.6

ref_spec: eng, ref_peak: 702, id: 701, d: 3.38, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36  HB3 -   SER37    H    d: 3.67 +/- 0.12, weight: 0.5

      LEU36  HB3 -   SER37    H    d: 3.69 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 703, id: 702, d: 2.30, u: 2.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HB -   ILE28    H    d: 2.95 +/- 0.11, weight: 0.5

      ILE28   HB -   ILE28    H    d: 2.95 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 704, id: 703, d: 5.49, u: 7.67, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42  HB3 -   TYR47  HD1    d: 5.52 +/- 0.31, weight: 0.4
      LEU42  HB3 -   TYR47  HD2

      LEU42  HB3 -   TYR47  HD1    d: 5.66 +/- 0.41, weight: 0.4
      LEU42  HB3 -   TYR47  HD2

ref_spec: eng, ref_peak: 705, id: 704, d: 4.36, u: 4.31, u_viol: 0.06, %_viol: 10.0, viol: no, reliable: no, a_type: A
      LEU36  HB3 -   THR35   HA    d: 4.70 +/- 0.44, weight: 0.4

      LEU36  HB3 -   THR35   HA    d: 4.53 +/- 0.16, weight: 0.5

ref_spec: eng, ref_peak: 706, id: 705, d: 2.69, u: 3.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42  HB3 -   LEU42   HA    d: 2.65 +/- 0.31, weight: 0.6

      LEU42  HB3 -   LEU42   HA    d: 2.77 +/- 0.30, weight: 0.4

ref_spec: eng, ref_peak: 707, id: 706, d: 2.70, u: 2.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HB -   ILE28   HA    d: 2.98 +/- 0.03, weight: 0.5

      ILE28   HB -   ILE28   HA    d: 2.98 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 708, id: 707, d: 2.22, u: 3.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HB -   ILE28 HG13    d: 2.77 +/- 0.29, weight: 0.3

      ILE28   HB -   ILE28 HG13    d: 2.77 +/- 0.29, weight: 0.3

      LEU36  HB3 -   LEU36   HG    d: 2.94 +/- 0.16, weight: 0.2

ref_spec: eng, ref_peak: 709, id: 708, d: 2.28, u: 2.38, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HB -   ILE28 HG12    d: 2.61 +/- 0.26, weight: 0.5

      ILE28   HB -   ILE28 HG12    d: 2.61 +/- 0.26, weight: 0.5

ref_spec: eng, ref_peak: 710, id: 709, d: 2.21, u: 2.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HB -   ILE28 HD11    d: 3.09 +/- 0.35, weight: 0.2
      ILE28   HB -   ILE28 HD12
      ILE28   HB -   ILE28 HD13

      LEU36  HB3 -   LEU36 HD11    d: 3.00 +/- 0.17, weight: 0.2
      LEU36  HB3 -   LEU36 HD12
      LEU36  HB3 -   LEU36 HD13

      ILE28   HB -   ILE28 HD11    d: 3.09 +/- 0.35, weight: 0.2
      ILE28   HB -   ILE28 HD12
      ILE28   HB -   ILE28 HD13

      LEU36  HB3 -   LEU36 HD11    d: 2.93 +/- 0.17, weight: 0.3
      LEU36  HB3 -   LEU36 HD12
      LEU36  HB3 -   LEU36 HD13

ref_spec: eng, ref_peak: 711, id: 710, d: 1.56, u: 2.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42  HB3 -   LEU42  HB2    d: 1.75 +/- 0.00, weight: 0.5

      LEU42  HB3 -   LEU42  HB2    d: 1.75 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 712, id: 711, d: 2.48, u: 2.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53  HB3 -   LYS53    H    d: 3.21 +/- 0.55, weight: 0.4

      LYS53  HB3 -   LYS53    H    d: 3.02 +/- 0.54, weight: 0.6

ref_spec: eng, ref_peak: 713, id: 712, d: 2.39, u: 2.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53  HB3 -   LYS53   HA    d: 2.77 +/- 0.26, weight: 0.5

      LYS53  HB3 -   LYS53   HA    d: 2.85 +/- 0.24, weight: 0.5

ref_spec: eng, ref_peak: 714, id: 713, d: 2.28, u: 2.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HB2 -    PRO4   HA    d: 2.70 +/- 0.26, weight: 0.4

       PRO4  HB2 -    PRO4   HA    d: 2.60 +/- 0.28, weight: 0.6

ref_spec: eng, ref_peak: 715, id: 714, d: 1.57, u: 2.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HB2 -    PRO4  HB3    d: 1.77 +/- 0.00, weight: 0.5

       PRO4  HB2 -    PRO4  HB3    d: 1.77 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 716, id: 715, d: 2.21, u: 2.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HB2 -    PRO4  HG2    d: 2.49 +/- 0.03, weight: 0.5
       PRO4  HB2 -    PRO4  HG3

       PRO4  HB2 -    PRO4  HG2    d: 2.48 +/- 0.04, weight: 0.5
       PRO4  HB2 -    PRO4  HG3

ref_spec: eng, ref_peak: 717, id: 716, d: 2.52, u: 3.16, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53  HB3 -   GLN54    H    d: 3.61 +/- 0.48, weight: 0.5

      LYS53  HB3 -   GLN54    H    d: 3.54 +/- 0.65, weight: 0.5

ref_spec: eng, ref_peak: 718, id: 717, d: 4.66, u: 5.23, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HG -   TRP21  HH2    d: 4.97 +/- 0.46, weight: 0.5

      LEU42   HG -   TRP21  HH2    d: 4.97 +/- 0.46, weight: 0.5

ref_spec: eng, ref_peak: 719, id: 718, d: 2.64, u: 3.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HG -   LEU42   HA    d: 3.17 +/- 0.08, weight: 0.5

      LEU42   HG -   LEU42   HA    d: 3.17 +/- 0.08, weight: 0.5

ref_spec: eng, ref_peak: 720, id: 719, d: 5.98, u: 6.00, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HG -   CYS40  HB2    d: 6.70 +/- 0.63, weight: 0.4

      LEU42   HG -   CYS40  HB2    d: 9.59 +/- 0.59, weight: 0.0

      LEU42   HG -   CYS40  HB2    d: 6.71 +/- 0.64, weight: 0.4

ref_spec: eng, ref_peak: 721, id: 720, d: 2.28, u: 2.25, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HG -   LEU42 HD11    d: 2.56 +/- 0.00, weight: 0.5
      LEU42   HG -   LEU42 HD12
      LEU42   HG -   LEU42 HD13

      LEU42   HG -   LEU42 HD11    d: 2.56 +/- 0.00, weight: 0.5
      LEU42   HG -   LEU42 HD12
      LEU42   HG -   LEU42 HD13

ref_spec: eng, ref_peak: 722, id: 721, d: 2.38, u: 3.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36  HB2 -   LEU36    H    d: 3.51 +/- 0.21, weight: 0.4

      LEU36  HB2 -   LEU36    H    d: 3.35 +/- 0.46, weight: 0.6

ref_spec: eng, ref_peak: 723, id: 722, d: 2.56, u: 3.17, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53  HB2 -   LYS53    H    d: 3.18 +/- 0.54, weight: 0.6

      LYS53  HB2 -   LYS53    H    d: 3.38 +/- 0.48, weight: 0.4

ref_spec: eng, ref_peak: 724, id: 723, d: 4.40, u: 5.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53  HB2 -   ASP52   HA    d: 5.11 +/- 0.61, weight: 0.4

      LYS53  HB2 -   ASP52   HA    d: 4.97 +/- 0.58, weight: 0.5

ref_spec: eng, ref_peak: 725, id: 724, d: 2.36, u: 2.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53  HB2 -   LYS53   HA    d: 2.71 +/- 0.27, weight: 0.5

      LYS53  HB2 -   LYS53   HA    d: 2.64 +/- 0.26, weight: 0.5

ref_spec: eng, ref_peak: 726, id: 725, d: 2.17, u: 3.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36  HB2 -   LEU36   HA    d: 2.38 +/- 0.11, weight: 0.5

      LEU36  HB2 -   LEU36   HA    d: 2.35 +/- 0.07, weight: 0.5

ref_spec: eng, ref_peak: 727, id: 726, d: 2.92, u: 3.29, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3  HB2 -    ARG3    H    d: 3.30 +/- 0.36, weight: 0.5
       ARG3  HB3 -    ARG3    H

       ARG3  HB2 -    ARG3    H    d: 3.30 +/- 0.36, weight: 0.5
       ARG3  HB3 -    ARG3    H

ref_spec: eng, ref_peak: 728, id: 727, d: 2.23, u: 2.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45  HB3 -   LYS45    H    d: 2.54 +/- 0.05, weight: 0.5

      LYS45  HB3 -   LYS45    H    d: 2.52 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 729, id: 728, d: 2.37, u: 3.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3  HB2 -    ARG3   HA    d: 2.61 +/- 0.09, weight: 0.5
       ARG3  HB3 -    ARG3   HA

       ARG3  HB2 -    ARG3   HA    d: 2.61 +/- 0.09, weight: 0.5
       ARG3  HB3 -    ARG3   HA

ref_spec: eng, ref_peak: 730, id: 729, d: 4.21, u: 4.82, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3  HB2 -    PRO4  HD3    d: 4.78 +/- 0.25, weight: 0.5
       ARG3  HB3 -    PRO4  HD3

       ARG3  HB2 -    PRO4  HD3    d: 4.83 +/- 0.33, weight: 0.5
       ARG3  HB3 -    PRO4  HD3

ref_spec: eng, ref_peak: 731, id: 730, d: 2.62, u: 4.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3  HB2 -    ARG3  HD2    d: 2.84 +/- 0.17, weight: 0.5
       ARG3  HB2 -    ARG3  HD3
       ARG3  HB3 -    ARG3  HD2
       ARG3  HB3 -    ARG3  HD3

       ARG3  HB2 -    ARG3  HD2    d: 2.84 +/- 0.17, weight: 0.5
       ARG3  HB2 -    ARG3  HD3
       ARG3  HB3 -    ARG3  HD2
       ARG3  HB3 -    ARG3  HD3

ref_spec: eng, ref_peak: 732, id: 731, d: 3.70, u: 5.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48   HG -   TYR47  HD1    d: 4.72 +/- 0.14, weight: 0.5
      LEU48   HG -   TYR47  HD2

      LEU48   HG -   TYR47  HD1    d: 4.72 +/- 0.14, weight: 0.5
      LEU48   HG -   TYR47  HD2

ref_spec: eng, ref_peak: 733, id: 732, d: 2.27, u: 3.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48   HG -   LEU48 HD11    d: 2.55 +/- 0.00, weight: 0.5
      LEU48   HG -   LEU48 HD12
      LEU48   HG -   LEU48 HD13

      LEU48   HG -   LEU48 HD11    d: 2.55 +/- 0.00, weight: 0.5
      LEU48   HG -   LEU48 HD12
      LEU48   HG -   LEU48 HD13

ref_spec: eng, ref_peak: 734, id: 733, d: 3.16, u: 3.35, u_viol: 0.33, %_viol: 35.0, viol: no, reliable: no, a_type: A
      LYS30  HD2 -   GLU27   HA    d: 4.07 +/- 1.03, weight: 0.2
      LYS30  HD3 -   GLU27   HA

      LYS30  HD2 -   LYS30   HA    d: 3.64 +/- 0.99, weight: 0.3
      LYS30  HD3 -   LYS30   HA

      LYS30  HD2 -   LYS30   HA    d: 3.64 +/- 0.99, weight: 0.3
      LYS30  HD3 -   LYS30   HA

ref_spec: eng, ref_peak: 735, id: 734, d: 1.55, u: 2.40, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41  HB2 -   ARG41  HB3    d: 1.75 +/- 0.00, weight: 0.5

      ARG41  HB2 -   ARG41  HB3    d: 1.75 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 736, id: 735, d: 2.32, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30  HD2 -   LYS30  HG2    d: 2.62 +/- 0.03, weight: 0.5
      LYS30  HD2 -   LYS30  HG3
      LYS30  HD3 -   LYS30  HG2
      LYS30  HD3 -   LYS30  HG3

      LYS30  HD2 -   LYS30  HG2    d: 2.62 +/- 0.03, weight: 0.5
      LYS30  HD2 -   LYS30  HG3
      LYS30  HD3 -   LYS30  HG2
      LYS30  HD3 -   LYS30  HG3

ref_spec: eng, ref_peak: 737, id: 736, d: 2.32, u: 4.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48  HB3 -   LEU48   HA    d: 2.75 +/- 0.31, weight: 0.5

      LEU48  HB3 -   LEU48   HA    d: 2.67 +/- 0.31, weight: 0.5

ref_spec: eng, ref_peak: 738, id: 737, d: 2.02, u: 5.74, u_viol: 0.00, %_viol: 55.0, viol: yes, reliable: no, a_type: A
      ILE44 HG13 -   ILE44    H    d: 2.46 +/- 0.16, weight: 0.5

      ILE44 HG13 -   ILE44    H    d: 2.43 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 739, id: 738, d: 2.43, u: 3.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HG13 -   TRP21  HH2    d: 2.90 +/- 0.26, weight: 0.5

      ILE44 HG13 -   TRP21  HH2    d: 2.92 +/- 0.30, weight: 0.5

ref_spec: eng, ref_peak: 741, id: 740, d: 3.36, u: 5.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HG13 -   ILE44   HA    d: 3.88 +/- 0.05, weight: 0.5

      ILE44 HG13 -   ILE44   HA    d: 3.89 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 742, id: 741, d: 3.70, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HG13 -   ALA43  HB1    d: 5.36 +/- 0.20, weight: 0.1
      ILE44 HG13 -   ALA43  HB2
      ILE44 HG13 -   ALA43  HB3

      ILE44 HG13 -   ILE17 HG21    d: 4.91 +/- 0.23, weight: 0.2
      ILE44 HG13 -   ILE17 HG22
      ILE44 HG13 -   ILE17 HG23

      ILE44 HG13 -   ALA43  HB1    d: 4.70 +/- 0.15, weight: 0.2
      ILE44 HG13 -   ALA43  HB2
      ILE44 HG13 -   ALA43  HB3

      ILE44 HG13 -   ILE17 HG21    d: 4.90 +/- 0.24, weight: 0.2
      ILE44 HG13 -   ILE17 HG22
      ILE44 HG13 -   ILE17 HG23

      ILE44 HG13 -   ALA43  HB1    d: 4.71 +/- 0.16, weight: 0.2
      ILE44 HG13 -   ALA43  HB2
      ILE44 HG13 -   ALA43  HB3

ref_spec: eng, ref_peak: 743, id: 742, d: 3.72, u: 4.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53  HD2 -   LYS53   HA    d: 3.40 +/- 0.93, weight: 0.5
      LYS53  HD3 -   LYS53   HA

      LYS53  HD2 -   LYS53   HA    d: 3.40 +/- 0.93, weight: 0.5
      LYS53  HD3 -   LYS53   HA

ref_spec: eng, ref_peak: 744, id: 743, d: 2.31, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53  HD2 -   LYS53  HG2    d: 2.61 +/- 0.04, weight: 0.5
      LYS53  HD2 -   LYS53  HG3
      LYS53  HD3 -   LYS53  HG2
      LYS53  HD3 -   LYS53  HG3

      LYS53  HD2 -   LYS53  HG2    d: 2.61 +/- 0.04, weight: 0.5
      LYS53  HD2 -   LYS53  HG3
      LYS53  HD3 -   LYS53  HG2
      LYS53  HD3 -   LYS53  HG3

ref_spec: eng, ref_peak: 745, id: 744, d: 3.11, u: 4.16, u_viol: 0.18, %_viol: 5.0, viol: no, reliable: no, a_type: A
       ARG3  HG2 -    ARG3    H    d: 3.35 +/- 0.66, weight: 0.5
       ARG3  HG3 -    ARG3    H

       ARG3  HG2 -    ARG3    H    d: 3.35 +/- 0.66, weight: 0.5
       ARG3  HG3 -    ARG3    H

ref_spec: eng, ref_peak: 746, id: 745, d: 2.55, u: 4.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3  HG2 -    ARG3   HA    d: 3.04 +/- 0.43, weight: 0.5
       ARG3  HG3 -    ARG3   HA

       ARG3  HG2 -    ARG3   HA    d: 3.04 +/- 0.43, weight: 0.5
       ARG3  HG3 -    ARG3   HA

ref_spec: eng, ref_peak: 747, id: 746, d: 2.16, u: 3.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13  HB3 -   LEU13   HA    d: 2.49 +/- 0.22, weight: 0.5

      LEU13  HB3 -   LEU13   HA    d: 2.50 +/- 0.26, weight: 0.5

ref_spec: eng, ref_peak: 748, id: 747, d: 2.58, u: 4.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34   HG -   LEU34   HA    d: 3.22 +/- 0.02, weight: 0.5

      LEU34   HG -   LEU34   HA    d: 3.22 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 749, id: 748, d: 4.23, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34   HG -   LYS32   HA    d: 3.91 +/- 0.02, weight: 0.5

      LEU34   HG -   LYS32   HA    d: 3.91 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 750, id: 749, d: 2.32, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45  HD2 -   LYS45  HG2    d: 2.61 +/- 0.04, weight: 0.5
      LYS45  HD2 -   LYS45  HG3
      LYS45  HD3 -   LYS45  HG2
      LYS45  HD3 -   LYS45  HG3

      LYS45  HD2 -   LYS45  HG2    d: 2.61 +/- 0.04, weight: 0.5
      LYS45  HD2 -   LYS45  HG3
      LYS45  HD3 -   LYS45  HG2
      LYS45  HD3 -   LYS45  HG3

ref_spec: eng, ref_peak: 751, id: 750, d: 2.71, u: 2.88, u_viol: 0.26, %_viol: 60.0, viol: no, reliable: no, a_type: A
      LYS30  HG2 -   GLU27   HA    d: 2.99 +/- 0.85, weight: 0.4
      LYS30  HG3 -   GLU27   HA

       LYS6  HD2 -    LYS6   HA    d: 3.60 +/- 0.99, weight: 0.1
       LYS6  HD3 -    LYS6   HA

      LYS30  HG2 -   GLU27   HA    d: 2.99 +/- 0.85, weight: 0.4
      LYS30  HG3 -   GLU27   HA

ref_spec: eng, ref_peak: 752, id: 751, d: 2.08, u: 2.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13   HG -   LEU13    H    d: 2.10 +/- 0.24, weight: 0.5

      LEU13   HG -   LEU13    H    d: 2.10 +/- 0.24, weight: 0.5

ref_spec: eng, ref_peak: 753, id: 752, d: 4.14, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6  HD2 -    LYS6    H    d: 3.45 +/- 0.43, weight: 0.5
       LYS6  HD3 -    LYS6    H

       LYS6  HD2 -    LYS6    H    d: 3.45 +/- 0.44, weight: 0.5
       LYS6  HD3 -    LYS6    H

ref_spec: eng, ref_peak: 754, id: 753, d: 2.81, u: 3.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11   HB -   HIS22  HD2    d: 3.36 +/- 0.56, weight: 0.5

      ILE11   HB -   HIS22  HD2    d: 3.37 +/- 0.56, weight: 0.5

ref_spec: eng, ref_peak: 755, id: 754, d: 3.28, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13   HG -   LEU13   HA    d: 3.53 +/- 0.10, weight: 0.5

      LEU13   HG -   LEU13   HA    d: 3.53 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 756, id: 755, d: 2.68, u: 2.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11   HB -   ILE11   HA    d: 3.01 +/- 0.01, weight: 0.5

      ILE11   HB -   ILE11   HA    d: 3.01 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 757, id: 756, d: 3.14, u: 2.69, u_viol: 0.75, %_viol: 70.0, viol: no, reliable: no, a_type: A
      ILE11   HB -   ILE11 HD11    d: 3.25 +/- 0.54, weight: 0.5
      ILE11   HB -   ILE11 HD12
      ILE11   HB -   ILE11 HD13

      ILE11   HB -   ILE11 HD11    d: 3.25 +/- 0.54, weight: 0.5
      ILE11   HB -   ILE11 HD12
      ILE11   HB -   ILE11 HD13

ref_spec: eng, ref_peak: 758, id: 757, d: 2.29, u: 2.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6  HD2 -    LYS6  HE2    d: 2.57 +/- 0.05, weight: 0.5
       LYS6  HD2 -    LYS6  HE3
       LYS6  HD3 -    LYS6  HE2
       LYS6  HD3 -    LYS6  HE3

       LYS6  HD2 -    LYS6  HE2    d: 2.57 +/- 0.05, weight: 0.5
       LYS6  HD2 -    LYS6  HE3
       LYS6  HD3 -    LYS6  HE2
       LYS6  HD3 -    LYS6  HE3

ref_spec: eng, ref_peak: 759, id: 758, d: 2.31, u: 2.94, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG13 -   ILE17    H    d: 3.39 +/- 0.57, weight: 0.6

      ILE17 HG13 -   ILE17    H    d: 3.52 +/- 0.55, weight: 0.4

ref_spec: eng, ref_peak: 760, id: 759, d: 3.32, u: 5.79, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG13 -   ILE17   HA    d: 3.66 +/- 0.06, weight: 0.5

      ILE17 HG13 -   ILE17   HA    d: 3.65 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 761, id: 760, d: 4.78, u: 6.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG13 -   GLN19   HA    d: 5.01 +/- 0.18, weight: 0.4

      ILE17 HG13 -   HIS22  HB3    d: 6.42 +/- 0.66, weight: 0.1

      ILE17 HG13 -   GLN19   HA    d: 4.98 +/- 0.20, weight: 0.4

ref_spec: eng, ref_peak: 762, id: 761, d: 1.57, u: 2.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG13 -   ILE17 HG12    d: 1.76 +/- 0.00, weight: 0.5

      ILE17 HG13 -   ILE17 HG12    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 763, id: 762, d: 5.67, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45  HB2 -   TYR47  HB2    d: 6.82 +/- 0.08, weight: 0.4

      LYS45  HB2 -   TYR47  HB2    d: 6.98 +/- 0.22, weight: 0.4

ref_spec: eng, ref_peak: 764, id: 763, d: 2.94, u: 3.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36   HG -   LEU36    H    d: 3.54 +/- 0.15, weight: 0.5

      LEU36   HG -   LEU36    H    d: 3.54 +/- 0.15, weight: 0.5

ref_spec: eng, ref_peak: 765, id: 764, d: 1.90, u: 2.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36   HG -   SER37    H    d: 2.22 +/- 0.14, weight: 0.5

      LEU36   HG -   SER37    H    d: 2.22 +/- 0.14, weight: 0.5

ref_spec: eng, ref_peak: 766, id: 765, d: 3.97, u: 4.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13  HB2 -   GLY14  HA3    d: 5.06 +/- 0.59, weight: 0.3

      LEU13  HB2 -   GLY14  HA3    d: 5.83 +/- 0.57, weight: 0.1

      LEU13  HB2 -   GLY14  HA3    d: 4.95 +/- 0.60, weight: 0.4

ref_spec: eng, ref_peak: 767, id: 766, d: 4.15, u: 4.20, u_viol: 0.13, %_viol: 25.0, viol: no, reliable: no, a_type: A
       LEU8  HB2 -    ARG3   HA    d: 6.41 +/- 1.67, weight: 0.1
       LEU8  HB3 -    ARG3   HA

       LEU8   HG -    ARG3   HA    d: 5.74 +/- 1.66, weight: 0.2

      LEU36   HG -   THR35   HA    d: 5.83 +/- 0.17, weight: 0.2

       LEU8  HB2 -    ARG3   HA    d: 6.41 +/- 1.67, weight: 0.1
       LEU8  HB3 -    ARG3   HA

       LEU8   HG -    ARG3   HA    d: 5.74 +/- 1.66, weight: 0.2

      LEU36   HG -   THR35   HA    d: 5.83 +/- 0.18, weight: 0.2

ref_spec: eng, ref_peak: 768, id: 767, d: 3.30, u: 3.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36   HG -   LEU36   HA    d: 3.66 +/- 0.04, weight: 0.5

      LEU36   HG -   LEU36   HA    d: 3.66 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 769, id: 768, d: 5.33, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36   HG -   CYS40  HB2    d: 5.69 +/- 0.30, weight: 0.4

      LEU36   HG -   CYS40  HB2    d: 5.63 +/- 0.39, weight: 0.5

ref_spec: eng, ref_peak: 770, id: 769, d: 1.54, u: 1.94, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28 HG13 -   ILE28 HG12    d: 1.76 +/- 0.00, weight: 0.5

      ILE28 HG13 -   ILE28 HG12    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 771, id: 770, d: 2.99, u: 2.93, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13  HB2 -   LEU13    H    d: 3.51 +/- 0.26, weight: 0.4

      LYS12  HB3 -   LEU13    H    d: 3.99 +/- 0.45, weight: 0.2

      LEU13  HB2 -   LEU13    H    d: 3.58 +/- 0.13, weight: 0.3

ref_spec: eng, ref_peak: 772, id: 771, d: 2.46, u: 2.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13  HB2 -   GLY14    H    d: 3.13 +/- 0.47, weight: 0.5

      LEU13  HB2 -   GLY14    H    d: 3.04 +/- 0.51, weight: 0.5

ref_spec: eng, ref_peak: 773, id: 772, d: 2.16, u: 3.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13  HB2 -   LEU13   HA    d: 2.48 +/- 0.23, weight: 0.5

      LEU13  HB2 -   LEU13   HA    d: 2.47 +/- 0.18, weight: 0.5

ref_spec: eng, ref_peak: 774, id: 773, d: 2.15, u: 2.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HB2 -   LYS32   HA    d: 2.74 +/- 0.23, weight: 0.2

      LYS32  HG2 -   LYS32   HA    d: 2.70 +/- 0.20, weight: 0.3
      LYS32  HG3 -   LYS32   HA

      LYS32  HB2 -   LYS32   HA    d: 2.79 +/- 0.23, weight: 0.2

      LYS32  HG2 -   LYS32   HA    d: 2.70 +/- 0.20, weight: 0.3
      LYS32  HG3 -   LYS32   HA

ref_spec: eng, ref_peak: 775, id: 774, d: 4.04, u: 5.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HB2 -   GLU31  HB3    d: 5.45 +/- 0.91, weight: 0.2

      LYS32  HG2 -   GLU31  HB3    d: 5.03 +/- 0.63, weight: 0.3
      LYS32  HG3 -   GLU31  HB3

      LYS32  HB2 -   GLU31  HB3    d: 5.36 +/- 0.87, weight: 0.2

      LYS32  HG2 -   GLU31  HB3    d: 5.13 +/- 0.79, weight: 0.3
      LYS32  HG3 -   GLU31  HB3

ref_spec: eng, ref_peak: 776, id: 775, d: 1.57, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30  HB2 -   LYS30  HB3    d: 1.76 +/- 0.00, weight: 0.5

      LYS30  HB2 -   LYS30  HB3    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 777, id: 776, d: 2.41, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30  HB2 -   LYS30  HD2    d: 2.60 +/- 0.04, weight: 0.5
      LYS30  HB2 -   LYS30  HD3

      LYS30  HB2 -   LYS30  HD2    d: 2.60 +/- 0.04, weight: 0.5
      LYS30  HB2 -   LYS30  HD3

ref_spec: eng, ref_peak: 778, id: 777, d: 2.36, u: 3.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS12  HD2 -   LEU13    H    d: 2.98 +/- 0.52, weight: 0.5
      LYS12  HD3 -   LEU13    H

      LYS12  HD2 -   LEU13    H    d: 2.98 +/- 0.52, weight: 0.5
      LYS12  HD3 -   LEU13    H

ref_spec: eng, ref_peak: 779, id: 778, d: 4.90, u: 6.00, u_viol: 0.15, %_viol: 10.0, viol: no, reliable: no, a_type: A
      LYS12  HD2 -   TYR16    H    d: 4.73 +/- 0.23, weight: 0.5
      LYS12  HD3 -   TYR16    H

      LYS12  HD2 -   TYR16    H    d: 4.72 +/- 0.23, weight: 0.5
      LYS12  HD3 -   TYR16    H

ref_spec: eng, ref_peak: 780, id: 779, d: 2.49, u: 2.93, u_viol: 0.09, %_viol: 5.0, viol: no, reliable: no, a_type: A
      LYS55  HG2 -   LYS55    H    d: 2.88 +/- 0.38, weight: 0.5
      LYS55  HG3 -   LYS55    H

      LYS55  HG2 -   LYS55    H    d: 2.88 +/- 0.38, weight: 0.5
      LYS55  HG3 -   LYS55    H

ref_spec: eng, ref_peak: 781, id: 780, d: 2.77, u: 2.96, u_viol: 0.34, %_viol: 20.0, viol: no, reliable: no, a_type: A
       LEU7  HB2 -    LEU7    H    d: 3.24 +/- 0.44, weight: 0.5
       LEU7  HB3 -    LEU7    H

       LEU7  HB2 -    LEU7    H    d: 3.24 +/- 0.44, weight: 0.5
       LEU7  HB3 -    LEU7    H

ref_spec: eng, ref_peak: 782, id: 781, d: 4.04, u: 8.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS12  HD2 -   TYR16  HD1    d: 4.89 +/- 1.06, weight: 0.5
      LYS12  HD2 -   TYR16  HD2
      LYS12  HD3 -   TYR16  HD1
      LYS12  HD3 -   TYR16  HD2

      LYS12  HD2 -   TYR16  HD1    d: 4.89 +/- 1.06, weight: 0.5
      LYS12  HD2 -   TYR16  HD2
      LYS12  HD3 -   TYR16  HD1
      LYS12  HD3 -   TYR16  HD2

ref_spec: eng, ref_peak: 783, id: 782, d: 3.34, u: 6.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS12  HD2 -   TYR16  HE1    d: 5.13 +/- 1.73, weight: 0.5
      LYS12  HD2 -   TYR16  HE2
      LYS12  HD3 -   TYR16  HE1
      LYS12  HD3 -   TYR16  HE2

      LYS12  HD2 -   TYR16  HE1    d: 5.13 +/- 1.73, weight: 0.5
      LYS12  HD2 -   TYR16  HE2
      LYS12  HD3 -   TYR16  HE1
      LYS12  HD3 -   TYR16  HE2

ref_spec: eng, ref_peak: 784, id: 783, d: 2.37, u: 2.36, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LEU7  HB2 -    LEU7   HA    d: 2.66 +/- 0.06, weight: 0.5
       LEU7  HB3 -    LEU7   HA

       LEU7  HB2 -    LEU7   HA    d: 2.66 +/- 0.06, weight: 0.5
       LEU7  HB3 -    LEU7   HA

ref_spec: eng, ref_peak: 785, id: 784, d: 2.60, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LEU7  HB2 -    LEU7 HD21    d: 3.01 +/- 0.12, weight: 0.5
       LEU7  HB2 -    LEU7 HD22
       LEU7  HB2 -    LEU7 HD23
       LEU7  HB3 -    LEU7 HD21
       LEU7  HB3 -    LEU7 HD22
       LEU7  HB3 -    LEU7 HD23

       LEU7  HB2 -    LEU7 HD21    d: 3.01 +/- 0.12, weight: 0.5
       LEU7  HB2 -    LEU7 HD22
       LEU7  HB2 -    LEU7 HD23
       LEU7  HB3 -    LEU7 HD21
       LEU7  HB3 -    LEU7 HD22
       LEU7  HB3 -    LEU7 HD23

ref_spec: eng, ref_peak: 786, id: 785, d: 2.69, u: 2.68, u_viol: 0.08, %_viol: 5.0, viol: no, reliable: no, a_type: A
       LEU7  HB2 -    LEU7 HD11    d: 2.93 +/- 0.13, weight: 0.5
       LEU7  HB2 -    LEU7 HD12
       LEU7  HB2 -    LEU7 HD13
       LEU7  HB3 -    LEU7 HD11
       LEU7  HB3 -    LEU7 HD12
       LEU7  HB3 -    LEU7 HD13

       LEU7  HB2 -    LEU7 HD11    d: 2.93 +/- 0.13, weight: 0.5
       LEU7  HB2 -    LEU7 HD12
       LEU7  HB2 -    LEU7 HD13
       LEU7  HB3 -    LEU7 HD11
       LEU7  HB3 -    LEU7 HD12
       LEU7  HB3 -    LEU7 HD13

ref_spec: eng, ref_peak: 787, id: 786, d: 3.20, u: 3.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42  HB2 -   LEU42    H    d: 3.00 +/- 0.50, weight: 0.6

      LEU42  HB2 -   LEU42    H    d: 3.17 +/- 0.48, weight: 0.4

ref_spec: eng, ref_peak: 788, id: 787, d: 4.33, u: 9.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42  HB2 -   TYR47  HE1    d: 4.59 +/- 0.22, weight: 0.5
      LEU42  HB2 -   TYR47  HE2

      LEU42  HB2 -   TYR47  HE1    d: 4.56 +/- 0.16, weight: 0.5
      LEU42  HB2 -   TYR47  HE2

ref_spec: eng, ref_peak: 789, id: 788, d: 2.26, u: 3.85, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42  HB2 -   LEU42   HA    d: 2.77 +/- 0.30, weight: 0.4

      LEU42  HB2 -   LEU42   HA    d: 2.65 +/- 0.31, weight: 0.6

ref_spec: eng, ref_peak: 790, id: 789, d: 2.33, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS55  HG2 -   LYS55  HB3    d: 2.61 +/- 0.06, weight: 0.5
      LYS55  HG3 -   LYS55  HB3

      LYS55  HG2 -   LYS55  HB3    d: 2.60 +/- 0.07, weight: 0.5
      LYS55  HG3 -   LYS55  HB3

ref_spec: eng, ref_peak: 791, id: 790, d: 3.79, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29  HB1 -   LEU36    H    d: 4.37 +/- 0.16, weight: 0.5
      ALA29  HB2 -   LEU36    H
      ALA29  HB3 -   LEU36    H

      ALA29  HB1 -   LEU36    H    d: 4.37 +/- 0.16, weight: 0.5
      ALA29  HB2 -   LEU36    H
      ALA29  HB3 -   LEU36    H

ref_spec: eng, ref_peak: 792, id: 791, d: 4.03, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29  HB1 -   LEU34    H    d: 4.12 +/- 0.09, weight: 0.5
      ALA29  HB2 -   LEU34    H
      ALA29  HB3 -   LEU34    H

      ALA29  HB1 -   LEU34    H    d: 4.13 +/- 0.09, weight: 0.5
      ALA29  HB2 -   LEU34    H
      ALA29  HB3 -   LEU34    H

ref_spec: eng, ref_peak: 793, id: 792, d: 2.70, u: 2.80, u_viol: 0.12, %_viol: 25.0, viol: no, reliable: no, a_type: A
      ALA29  HB1 -   LYS30    H    d: 3.66 +/- 0.04, weight: 0.3
      ALA29  HB2 -   LYS30    H
      ALA29  HB3 -   LYS30    H

      LYS56  HG2 -   LYS56    H    d: 3.82 +/- 0.77, weight: 0.2
      LYS56  HG3 -   LYS56    H

      ALA29  HB1 -   LYS30    H    d: 3.66 +/- 0.04, weight: 0.3
      ALA29  HB2 -   LYS30    H
      ALA29  HB3 -   LYS30    H

      LYS56  HG2 -   LYS56    H    d: 3.82 +/- 0.76, weight: 0.2
      LYS56  HG3 -   LYS56    H

ref_spec: eng, ref_peak: 794, id: 793, d: 2.88, u: 4.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29  HB1 -   THR35   HA    d: 3.40 +/- 0.09, weight: 0.5
      ALA29  HB2 -   THR35   HA
      ALA29  HB3 -   THR35   HA

      ALA29  HB1 -   THR35   HA    d: 3.40 +/- 0.09, weight: 0.5
      ALA29  HB2 -   THR35   HA
      ALA29  HB3 -   THR35   HA

ref_spec: eng, ref_peak: 795, id: 794, d: 2.04, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29  HB1 -   MET26   HA    d: 2.22 +/- 0.07, weight: 0.5
      ALA29  HB2 -   MET26   HA
      ALA29  HB3 -   MET26   HA

      ALA29  HB1 -   MET26   HA    d: 2.22 +/- 0.07, weight: 0.5
      ALA29  HB2 -   MET26   HA
      ALA29  HB3 -   MET26   HA

ref_spec: eng, ref_peak: 796, id: 795, d: 5.08, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29  HB1 -   LYS30  HB3    d: 5.95 +/- 0.06, weight: 0.5
      ALA29  HB2 -   LYS30  HB3
      ALA29  HB3 -   LYS30  HB3

      ALA29  HB1 -   LYS30  HB3    d: 5.95 +/- 0.06, weight: 0.5
      ALA29  HB2 -   LYS30  HB3
      ALA29  HB3 -   LYS30  HB3

ref_spec: eng, ref_peak: 797, id: 796, d: 2.75, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34  HB2 -   LEU34 HD21    d: 3.10 +/- 0.45, weight: 0.7
      LEU34  HB2 -   LEU34 HD22
      LEU34  HB2 -   LEU34 HD23

      LEU34  HB2 -   LEU34 HD21    d: 3.58 +/- 0.45, weight: 0.3
      LEU34  HB2 -   LEU34 HD22
      LEU34  HB2 -   LEU34 HD23

ref_spec: eng, ref_peak: 798, id: 797, d: 2.58, u: 2.88, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42  HB2 -   LEU42 HD11    d: 2.87 +/- 0.18, weight: 0.5
      LEU42  HB2 -   LEU42 HD12
      LEU42  HB2 -   LEU42 HD13

      LEU42  HB2 -   LEU42 HD11    d: 2.88 +/- 0.27, weight: 0.5
      LEU42  HB2 -   LEU42 HD12
      LEU42  HB2 -   LEU42 HD13

ref_spec: eng, ref_peak: 799, id: 798, d: 3.17, u: 4.25, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6  HG3 -    LYS6    H    d: 3.26 +/- 0.78, weight: 0.5

       LYS6  HG3 -    LYS6    H    d: 3.36 +/- 0.76, weight: 0.5

ref_spec: eng, ref_peak: 800, id: 799, d: 2.72, u: 3.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG13 -   ILE11    H    d: 3.57 +/- 0.83, weight: 0.5

      ILE11 HG13 -   ILE11    H    d: 3.51 +/- 0.76, weight: 0.5

ref_spec: eng, ref_peak: 801, id: 800, d: 2.86, u: 3.22, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG13 -   ILE11   HA    d: 3.12 +/- 0.50, weight: 0.5

      ILE11 HG13 -   ILE11   HA    d: 3.10 +/- 0.53, weight: 0.5

ref_spec: eng, ref_peak: 802, id: 801, d: 2.66, u: 4.76, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6  HG3 -    LYS6  HE2    d: 3.10 +/- 0.43, weight: 0.4
       LYS6  HG3 -    LYS6  HE3

       LYS6  HG3 -    LYS6  HE2    d: 3.00 +/- 0.41, weight: 0.5
       LYS6  HG3 -    LYS6  HE3

ref_spec: eng, ref_peak: 803, id: 802, d: 2.03, u: 2.10, u_viol: 0.07, %_viol: 5.0, viol: no, reliable: no, a_type: A
       LYS6  HG3 -    LYS6  HD2    d: 2.60 +/- 0.09, weight: 0.3
       LYS6  HG3 -    LYS6  HD3

      ILE11 HG13 -   ILE11   HB    d: 2.67 +/- 0.22, weight: 0.2

       LYS6  HG3 -    LYS6  HD2    d: 2.61 +/- 0.07, weight: 0.3
       LYS6  HG3 -    LYS6  HD3

      ILE11 HG13 -   ILE11   HB    d: 2.66 +/- 0.24, weight: 0.2

ref_spec: eng, ref_peak: 804, id: 803, d: 2.51, u: 2.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48  HB2 -   ASP49    H    d: 3.44 +/- 0.58, weight: 0.4

      LEU48  HB2 -   ASP49    H    d: 3.31 +/- 0.58, weight: 0.6

ref_spec: eng, ref_peak: 805, id: 804, d: 2.54, u: 2.67, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48  HB2 -   LEU48    H    d: 3.04 +/- 0.49, weight: 0.5

      LEU48  HB2 -   LEU48    H    d: 3.15 +/- 0.49, weight: 0.4

ref_spec: eng, ref_peak: 806, id: 805, d: 2.32, u: 3.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48  HB2 -   LEU48   HA    d: 2.67 +/- 0.31, weight: 0.5

      LEU48  HB2 -   LEU48   HA    d: 2.75 +/- 0.31, weight: 0.5

ref_spec: eng, ref_peak: 807, id: 806, d: 4.07, u: 4.15, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48  HB2 -   ASP49  HB3    d: 4.95 +/- 0.69, weight: 0.5

      LEU48  HB2 -   ASP49  HB3    d: 5.14 +/- 0.70, weight: 0.4

ref_spec: eng, ref_peak: 808, id: 807, d: 2.52, u: 2.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48  HB2 -   LEU48 HD11    d: 2.82 +/- 0.03, weight: 0.5
      LEU48  HB2 -   LEU48 HD12
      LEU48  HB2 -   LEU48 HD13

      LEU48  HB2 -   LEU48 HD11    d: 2.83 +/- 0.03, weight: 0.5
      LEU48  HB2 -   LEU48 HD12
      LEU48  HB2 -   LEU48 HD13

ref_spec: eng, ref_peak: 809, id: 808, d: 4.72, u: 5.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48  HB2 -   TYR47    H    d: 5.52 +/- 0.64, weight: 0.5

      LEU48  HB2 -   TYR47    H    d: 5.66 +/- 0.64, weight: 0.4

ref_spec: eng, ref_peak: 810, id: 809, d: 3.69, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45  HG2 -   GLU46   HA    d: 4.27 +/- 0.08, weight: 0.5
      LYS45  HG3 -   GLU46   HA

      LYS45  HG2 -   GLU46   HA    d: 4.27 +/- 0.08, weight: 0.5
      LYS45  HG3 -   GLU46   HA

ref_spec: eng, ref_peak: 811, id: 810, d: 2.60, u: 2.63, u_viol: 0.31, %_viol: 30.0, viol: no, reliable: no, a_type: A
      LYS45  HG2 -   LYS45   HA    d: 2.90 +/- 0.24, weight: 0.5
      LYS45  HG3 -   LYS45   HA

      LYS45  HG2 -   LYS45   HA    d: 2.90 +/- 0.24, weight: 0.5
      LYS45  HG3 -   LYS45   HA

ref_spec: eng, ref_peak: 812, id: 811, d: 3.56, u: 3.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG12 -   ILE11    H    d: 4.20 +/- 0.50, weight: 0.4

      ILE17 HG12 -   ILE11    H    d: 4.10 +/- 0.49, weight: 0.5

ref_spec: eng, ref_peak: 813, id: 812, d: 2.57, u: 3.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG12 -   ILE17    H    d: 3.20 +/- 0.77, weight: 0.4

      ILE17 HG12 -   ILE17    H    d: 3.07 +/- 0.73, weight: 0.6

ref_spec: eng, ref_peak: 814, id: 813, d: 4.09, u: 5.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG12 -   TYR16   HA    d: 5.22 +/- 0.85, weight: 0.5

      ILE17 HG12 -   TYR16   HA    d: 5.09 +/- 0.80, weight: 0.5

ref_spec: eng, ref_peak: 815, id: 814, d: 3.31, u: 4.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG12 -   ILE17   HA    d: 3.64 +/- 0.04, weight: 0.5

      ILE17 HG12 -   ILE17   HA    d: 3.65 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 816, id: 815, d: 2.25, u: 3.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG12 -   ILE17 HD11    d: 2.52 +/- 0.01, weight: 0.5
      ILE17 HG12 -   ILE17 HD12
      ILE17 HG12 -   ILE17 HD13

      ILE17 HG12 -   ILE17 HD11    d: 2.52 +/- 0.01, weight: 0.5
      ILE17 HG12 -   ILE17 HD12
      ILE17 HG12 -   ILE17 HD13

ref_spec: eng, ref_peak: 818, id: 817, d: 2.48, u: 5.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HG12 -   ARG41   HA    d: 2.76 +/- 0.39, weight: 0.5

      ILE44 HG12 -   ARG41   HA    d: 2.74 +/- 0.39, weight: 0.5

ref_spec: eng, ref_peak: 819, id: 818, d: 2.17, u: 5.43, u_viol: 0.00, %_viol: 25.0, viol: no, reliable: no, a_type: A
      ILE44 HG12 -   CYS40   HA    d: 2.51 +/- 0.30, weight: 0.5

      ILE44 HG12 -   CYS40   HA    d: 2.52 +/- 0.33, weight: 0.5

ref_spec: eng, ref_peak: 820, id: 819, d: 2.78, u: 3.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HG12 -   ILE44   HA    d: 3.16 +/- 0.20, weight: 0.5

      ILE44 HG12 -   ILE44   HA    d: 3.15 +/- 0.16, weight: 0.5

ref_spec: eng, ref_peak: 821, id: 820, d: 1.57, u: 2.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HG12 -   ILE44 HG13    d: 1.77 +/- 0.00, weight: 0.5

      ILE44 HG12 -   ILE44 HG13    d: 1.77 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 822, id: 821, d: 2.28, u: 5.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HG12 -   ILE44 HD11    d: 2.55 +/- 0.00, weight: 0.5
      ILE44 HG12 -   ILE44 HD12
      ILE44 HG12 -   ILE44 HD13

      ILE44 HG12 -   ILE44 HD11    d: 2.55 +/- 0.00, weight: 0.5
      ILE44 HG12 -   ILE44 HD12
      ILE44 HG12 -   ILE44 HD13

ref_spec: eng, ref_peak: 823, id: 822, d: 4.95, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG21 -   ILE11    H    d: 5.29 +/- 0.19, weight: 0.3
      ILE17 HG22 -   ILE11    H
      ILE17 HG23 -   ILE11    H

      ILE17 HG21 -   LEU13    H    d: 5.38 +/- 0.21, weight: 0.2
      ILE17 HG22 -   LEU13    H
      ILE17 HG23 -   LEU13    H

      ILE17 HG21 -   ILE11    H    d: 5.29 +/- 0.19, weight: 0.3
      ILE17 HG22 -   ILE11    H
      ILE17 HG23 -   ILE11    H

      ILE17 HG21 -   LEU13    H    d: 5.38 +/- 0.21, weight: 0.2
      ILE17 HG22 -   LEU13    H
      ILE17 HG23 -   LEU13    H

ref_spec: eng, ref_peak: 824, id: 823, d: 2.52, u: 3.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG21 -   ILE17   HA    d: 3.09 +/- 0.12, weight: 0.5
      ILE17 HG22 -   ILE17   HA
      ILE17 HG23 -   ILE17   HA

      ILE17 HG21 -   ILE17   HA    d: 3.09 +/- 0.12, weight: 0.5
      ILE17 HG22 -   ILE17   HA
      ILE17 HG23 -   ILE17   HA

ref_spec: eng, ref_peak: 825, id: 824, d: 2.25, u: 2.79, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG21 -   ILE17   HB    d: 2.55 +/- 0.00, weight: 0.5
      ILE17 HG22 -   ILE17   HB
      ILE17 HG23 -   ILE17   HB

      ILE17 HG21 -   ILE17   HB    d: 2.55 +/- 0.00, weight: 0.5
      ILE17 HG22 -   ILE17   HB
      ILE17 HG23 -   ILE17   HB

ref_spec: eng, ref_peak: 826, id: 825, d: 2.73, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG21 -   ILE17 HG13    d: 3.58 +/- 0.35, weight: 0.5
      ILE17 HG22 -   ILE17 HG13
      ILE17 HG23 -   ILE17 HG13

      ILE17 HG21 -   ILE17 HG13    d: 3.51 +/- 0.38, weight: 0.5
      ILE17 HG22 -   ILE17 HG13
      ILE17 HG23 -   ILE17 HG13

ref_spec: eng, ref_peak: 827, id: 826, d: 5.28, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG21 -   PRO18  HG3    d: 6.90 +/- 0.17, weight: 0.3
      ILE17 HG22 -   PRO18  HG3
      ILE17 HG23 -   PRO18  HG3

      ILE17 HG21 -   PRO18  HB2    d: 7.77 +/- 0.27, weight: 0.2
      ILE17 HG22 -   PRO18  HB2
      ILE17 HG23 -   PRO18  HB2

      ILE17 HG21 -   PRO18  HG3    d: 6.88 +/- 0.18, weight: 0.3
      ILE17 HG22 -   PRO18  HG3
      ILE17 HG23 -   PRO18  HG3

ref_spec: eng, ref_peak: 828, id: 827, d: 4.02, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43  HB1 -   LYS45    H    d: 5.28 +/- 0.04, weight: 0.2
      ALA43  HB2 -   LYS45    H
      ALA43  HB3 -   LYS45    H

      ALA43  HB1 -   LYS45    H    d: 5.02 +/- 0.03, weight: 0.2
      ALA43  HB2 -   LYS45    H
      ALA43  HB3 -   LYS45    H

      ALA43  HB1 -   LYS45    H    d: 5.02 +/- 0.03, weight: 0.2
      ALA43  HB2 -   LYS45    H
      ALA43  HB3 -   LYS45    H

      ALA43  HB1 -   LYS45    H    d: 5.27 +/- 0.04, weight: 0.2
      ALA43  HB2 -   LYS45    H
      ALA43  HB3 -   LYS45    H

ref_spec: eng, ref_peak: 829, id: 828, d: 2.54, u: 2.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43  HB1 -   ILE44    H    d: 3.14 +/- 0.05, weight: 0.3
      ALA43  HB2 -   ILE44    H
      ALA43  HB3 -   ILE44    H

      ALA43  HB1 -   ILE44    H    d: 3.18 +/- 0.03, weight: 0.2
      ALA43  HB2 -   ILE44    H
      ALA43  HB3 -   ILE44    H

      ALA43  HB1 -   ILE44    H    d: 3.18 +/- 0.03, weight: 0.2
      ALA43  HB2 -   ILE44    H
      ALA43  HB3 -   ILE44    H

      ALA43  HB1 -   ILE44    H    d: 3.14 +/- 0.05, weight: 0.3
      ALA43  HB2 -   ILE44    H
      ALA43  HB3 -   ILE44    H

ref_spec: eng, ref_peak: 830, id: 829, d: 4.36, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43  HB1 -   LEU42    H    d: 5.08 +/- 0.07, weight: 0.4
      ALA43  HB2 -   LEU42    H
      ALA43  HB3 -   LEU42    H

      ALA43  HB1 -   LEU42    H    d: 5.08 +/- 0.07, weight: 0.4
      ALA43  HB2 -   LEU42    H
      ALA43  HB3 -   LEU42    H

ref_spec: eng, ref_peak: 831, id: 830, d: 3.98, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43  HB1 -   TYR47  HD1    d: 4.15 +/- 0.29, weight: 0.5
      ALA43  HB1 -   TYR47  HD2
      ALA43  HB2 -   TYR47  HD1
      ALA43  HB2 -   TYR47  HD2
      ALA43  HB3 -   TYR47  HD1
      ALA43  HB3 -   TYR47  HD2

      ALA43  HB1 -   TYR47  HD1    d: 4.14 +/- 0.29, weight: 0.5
      ALA43  HB1 -   TYR47  HD2
      ALA43  HB2 -   TYR47  HD1
      ALA43  HB2 -   TYR47  HD2
      ALA43  HB3 -   TYR47  HD1
      ALA43  HB3 -   TYR47  HD2

ref_spec: eng, ref_peak: 832, id: 831, d: 4.58, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43  HB1 -   TYR47   HA    d: 5.57 +/- 0.12, weight: 0.4
      ALA43  HB2 -   TYR47   HA
      ALA43  HB3 -   TYR47   HA

      ALA43  HB1 -   TYR47   HA    d: 5.57 +/- 0.12, weight: 0.4
      ALA43  HB2 -   TYR47   HA
      ALA43  HB3 -   TYR47   HA

ref_spec: eng, ref_peak: 833, id: 832, d: 4.36, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43  HB1 -   ARG41   HA    d: 5.37 +/- 0.12, weight: 0.3
      ALA43  HB2 -   ARG41   HA
      ALA43  HB3 -   ARG41   HA

      ALA43  HB1 -   ARG41   HA    d: 5.57 +/- 0.21, weight: 0.2
      ALA43  HB2 -   ARG41   HA
      ALA43  HB3 -   ARG41   HA

      ALA43  HB1 -   ARG41   HA    d: 5.57 +/- 0.21, weight: 0.2
      ALA43  HB2 -   ARG41   HA
      ALA43  HB3 -   ARG41   HA

      ALA43  HB1 -   ARG41   HA    d: 5.37 +/- 0.12, weight: 0.3
      ALA43  HB2 -   ARG41   HA
      ALA43  HB3 -   ARG41   HA

ref_spec: eng, ref_peak: 834, id: 833, d: 2.59, u: 3.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43  HB1 -   CYS40   HA    d: 2.79 +/- 0.06, weight: 0.5
      ALA43  HB2 -   CYS40   HA
      ALA43  HB3 -   CYS40   HA

      ALA43  HB1 -   CYS40   HA    d: 2.81 +/- 0.06, weight: 0.5
      ALA43  HB2 -   CYS40   HA
      ALA43  HB3 -   CYS40   HA

ref_spec: eng, ref_peak: 835, id: 834, d: 4.52, u: 5.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43  HB1 -   CYS40  HB2    d: 6.27 +/- 0.36, weight: 0.1
      ALA43  HB2 -   CYS40  HB2
      ALA43  HB3 -   CYS40  HB2

      ALA43  HB1 -   GLU46  HG2    d: 6.39 +/- 0.47, weight: 0.1
      ALA43  HB2 -   GLU46  HG2
      ALA43  HB3 -   GLU46  HG2

      ALA43  HB1 -   CYS40  HB2    d: 5.34 +/- 0.25, weight: 0.2
      ALA43  HB2 -   CYS40  HB2
      ALA43  HB3 -   CYS40  HB2

      ALA43  HB1 -   CYS40  HB2    d: 5.34 +/- 0.23, weight: 0.2
      ALA43  HB2 -   CYS40  HB2
      ALA43  HB3 -   CYS40  HB2

      ALA43  HB1 -   GLU46  HG2    d: 6.35 +/- 0.47, weight: 0.1
      ALA43  HB2 -   GLU46  HG2
      ALA43  HB3 -   GLU46  HG2

      ALA43  HB1 -   CYS40  HB2    d: 6.23 +/- 0.39, weight: 0.1
      ALA43  HB2 -   CYS40  HB2
      ALA43  HB3 -   CYS40  HB2

ref_spec: eng, ref_peak: 836, id: 835, d: 2.16, u: 2.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD21 -   LEU34   HA    d: 2.55 +/- 0.02, weight: 0.5
      LEU34 HD22 -   LEU34   HA
      LEU34 HD23 -   LEU34   HA

      LEU34 HD21 -   LEU34   HA    d: 2.55 +/- 0.02, weight: 0.5
      LEU34 HD22 -   LEU34   HA
      LEU34 HD23 -   LEU34   HA

ref_spec: eng, ref_peak: 837, id: 836, d: 5.80, u: 7.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD21 -   THR35   HA    d: 6.90 +/- 0.03, weight: 0.5
      LEU34 HD22 -   THR35   HA
      LEU34 HD23 -   THR35   HA

      LEU34 HD21 -   THR35   HA    d: 6.90 +/- 0.03, weight: 0.5
      LEU34 HD22 -   THR35   HA
      LEU34 HD23 -   THR35   HA

ref_spec: eng, ref_peak: 838, id: 837, d: 2.71, u: 2.68, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD21 -   LEU34  HB3    d: 3.58 +/- 0.44, weight: 0.3
      LEU34 HD22 -   LEU34  HB3
      LEU34 HD23 -   LEU34  HB3

      LEU34 HD21 -   LEU34  HB3    d: 3.10 +/- 0.45, weight: 0.7
      LEU34 HD22 -   LEU34  HB3
      LEU34 HD23 -   LEU34  HB3

ref_spec: eng, ref_peak: 839, id: 838, d: 2.28, u: 2.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD21 -   LEU34   HG    d: 2.56 +/- 0.00, weight: 0.5
      LEU34 HD22 -   LEU34   HG
      LEU34 HD23 -   LEU34   HG

      LEU34 HD21 -   LEU34   HG    d: 2.56 +/- 0.00, weight: 0.5
      LEU34 HD22 -   LEU34   HG
      LEU34 HD23 -   LEU34   HG

ref_spec: eng, ref_peak: 840, id: 839, d: 2.68, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD21 -   LEU34 HD11    d: 3.01 +/- 0.00, weight: 0.5
      LEU34 HD21 -   LEU34 HD12
      LEU34 HD21 -   LEU34 HD13
      LEU34 HD22 -   LEU34 HD11
      LEU34 HD22 -   LEU34 HD12
      LEU34 HD22 -   LEU34 HD13
      LEU34 HD23 -   LEU34 HD11
      LEU34 HD23 -   LEU34 HD12
      LEU34 HD23 -   LEU34 HD13

      LEU34 HD21 -   LEU34 HD11    d: 3.01 +/- 0.00, weight: 0.5
      LEU34 HD21 -   LEU34 HD12
      LEU34 HD21 -   LEU34 HD13
      LEU34 HD22 -   LEU34 HD11
      LEU34 HD22 -   LEU34 HD12
      LEU34 HD22 -   LEU34 HD13
      LEU34 HD23 -   LEU34 HD11
      LEU34 HD23 -   LEU34 HD12
      LEU34 HD23 -   LEU34 HD13

ref_spec: eng, ref_peak: 841, id: 840, d: 3.16, u: 6.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG12 -   HIS22  HD2    d: 3.94 +/- 1.19, weight: 0.5

      ILE11 HG12 -   HIS22  HD2    d: 3.94 +/- 1.15, weight: 0.5

ref_spec: eng, ref_peak: 842, id: 841, d: 2.98, u: 4.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG12 -   GLN19   HA    d: 3.98 +/- 1.07, weight: 0.5

      ILE11 HG12 -   GLN19   HA    d: 4.03 +/- 1.06, weight: 0.4

ref_spec: eng, ref_peak: 843, id: 842, d: 1.57, u: 2.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG12 -   ILE11 HG13    d: 1.76 +/- 0.00, weight: 0.5

      ILE11 HG12 -   ILE11 HG13    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 844, id: 843, d: 2.27, u: 2.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG12 -   ILE11 HD11    d: 2.54 +/- 0.00, weight: 0.5
      ILE11 HG12 -   ILE11 HD12
      ILE11 HG12 -   ILE11 HD13

      ILE11 HG12 -   ILE11 HD11    d: 2.54 +/- 0.00, weight: 0.5
      ILE11 HG12 -   ILE11 HD12
      ILE11 HG12 -   ILE11 HD13

ref_spec: eng, ref_peak: 845, id: 844, d: 3.81, u: 3.53, u_viol: 0.27, %_viol: 100.0, viol: no, reliable: no, a_type: A
      LEU42 HD21 -   LEU42    H    d: 3.89 +/- 0.35, weight: 0.5
      LEU42 HD22 -   LEU42    H
      LEU42 HD23 -   LEU42    H

      LEU42 HD21 -   LEU42    H    d: 3.89 +/- 0.34, weight: 0.5
      LEU42 HD22 -   LEU42    H
      LEU42 HD23 -   LEU42    H

ref_spec: eng, ref_peak: 846, id: 845, d: 5.06, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42 HD21 -   ALA43    H    d: 5.58 +/- 0.10, weight: 0.5
      LEU42 HD22 -   ALA43    H
      LEU42 HD23 -   ALA43    H

      LEU42 HD21 -   ALA43    H    d: 5.58 +/- 0.10, weight: 0.5
      LEU42 HD22 -   ALA43    H
      LEU42 HD23 -   ALA43    H

ref_spec: eng, ref_peak: 847, id: 846, d: 2.28, u: 2.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42 HD21 -   LEU42   HG    d: 2.56 +/- 0.00, weight: 0.5
      LEU42 HD22 -   LEU42   HG
      LEU42 HD23 -   LEU42   HG

      LEU42 HD21 -   LEU42   HG    d: 2.56 +/- 0.00, weight: 0.5
      LEU42 HD22 -   LEU42   HG
      LEU42 HD23 -   LEU42   HG

ref_spec: eng, ref_peak: 848, id: 847, d: 2.51, u: 2.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42 HD21 -   LEU42  HB2    d: 3.33 +/- 0.54, weight: 0.4
      LEU42 HD22 -   LEU42  HB2
      LEU42 HD23 -   LEU42  HB2

      LEU42 HD21 -   LEU42  HB2    d: 3.18 +/- 0.51, weight: 0.6
      LEU42 HD22 -   LEU42  HB2
      LEU42 HD23 -   LEU42  HB2

ref_spec: eng, ref_peak: 849, id: 848, d: 6.76, u: 8.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG11 -   TRP21   HA    d: 8.55 +/- 0.13, weight: 0.2
      VAL39 HG12 -   TRP21   HA
      VAL39 HG13 -   TRP21   HA

      VAL39 HG11 -   THR35   HA    d: 8.23 +/- 0.15, weight: 0.3
      VAL39 HG12 -   THR35   HA
      VAL39 HG13 -   THR35   HA

      VAL39 HG11 -   TRP21   HA    d: 8.55 +/- 0.13, weight: 0.2
      VAL39 HG12 -   TRP21   HA
      VAL39 HG13 -   TRP21   HA

      VAL39 HG11 -   THR35   HA    d: 8.23 +/- 0.15, weight: 0.3
      VAL39 HG12 -   THR35   HA
      VAL39 HG13 -   THR35   HA

ref_spec: eng, ref_peak: 850, id: 849, d: 3.83, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG11 -   CYS40   HA    d: 4.48 +/- 0.09, weight: 0.5
      VAL39 HG12 -   CYS40   HA
      VAL39 HG13 -   CYS40   HA

      VAL39 HG11 -   CYS40   HA    d: 4.48 +/- 0.09, weight: 0.5
      VAL39 HG12 -   CYS40   HA
      VAL39 HG13 -   CYS40   HA

ref_spec: eng, ref_peak: 851, id: 850, d: 4.24, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG11 -   ILE44   HA    d: 4.65 +/- 0.07, weight: 0.5
      VAL39 HG12 -   ILE44   HA
      VAL39 HG13 -   ILE44   HA

      VAL39 HG11 -   ILE44   HA    d: 4.64 +/- 0.07, weight: 0.5
      VAL39 HG12 -   ILE44   HA
      VAL39 HG13 -   ILE44   HA

ref_spec: eng, ref_peak: 852, id: 851, d: 4.54, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG11 -   TYR47  HE1    d: 5.12 +/- 0.32, weight: 0.5
      VAL39 HG11 -   TYR47  HE2
      VAL39 HG12 -   TYR47  HE1
      VAL39 HG12 -   TYR47  HE2
      VAL39 HG13 -   TYR47  HE1
      VAL39 HG13 -   TYR47  HE2

      VAL39 HG11 -   TYR47  HE1    d: 5.12 +/- 0.32, weight: 0.5
      VAL39 HG11 -   TYR47  HE2
      VAL39 HG12 -   TYR47  HE1
      VAL39 HG12 -   TYR47  HE2
      VAL39 HG13 -   TYR47  HE1
      VAL39 HG13 -   TYR47  HE2

ref_spec: eng, ref_peak: 853, id: 852, d: 4.44, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG11 -   LEU36   HA    d: 5.28 +/- 0.19, weight: 0.5
      VAL39 HG12 -   LEU36   HA
      VAL39 HG13 -   LEU36   HA

      VAL39 HG11 -   LEU36   HA    d: 5.28 +/- 0.19, weight: 0.5
      VAL39 HG12 -   LEU36   HA
      VAL39 HG13 -   LEU36   HA

ref_spec: eng, ref_peak: 854, id: 853, d: 2.61, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28 HG12 -   ILE28   HA    d: 3.26 +/- 0.21, weight: 0.5

      ILE28 HG12 -   ILE28   HA    d: 3.26 +/- 0.21, weight: 0.5

ref_spec: eng, ref_peak: 855, id: 854, d: 2.53, u: 2.75, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG11 -   VAL39   HA    d: 2.79 +/- 0.02, weight: 0.5
      VAL39 HG12 -   VAL39   HA
      VAL39 HG13 -   VAL39   HA

      VAL39 HG11 -   VAL39   HA    d: 2.79 +/- 0.02, weight: 0.5
      VAL39 HG12 -   VAL39   HA
      VAL39 HG13 -   VAL39   HA

ref_spec: eng, ref_peak: 856, id: 855, d: 4.61, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16    H -   LEU13 HD21    d: 6.02 +/- 0.93, weight: 0.5
      TYR16    H -   LEU13 HD22
      TYR16    H -   LEU13 HD23

      TYR16    H -   LEU13 HD21    d: 6.02 +/- 0.93, weight: 0.5
      TYR16    H -   LEU13 HD22
      TYR16    H -   LEU13 HD23

ref_spec: eng, ref_peak: 857, id: 856, d: 4.11, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15 HG21 -   GLY14    H    d: 5.45 +/- 1.02, weight: 0.4
      VAL15 HG22 -   GLY14    H
      VAL15 HG23 -   GLY14    H

      VAL15 HG21 -   GLY14    H    d: 7.21 +/- 1.09, weight: 0.1
      VAL15 HG22 -   GLY14    H
      VAL15 HG23 -   GLY14    H

      VAL15 HG21 -   GLY14    H    d: 5.45 +/- 1.02, weight: 0.4
      VAL15 HG22 -   GLY14    H
      VAL15 HG23 -   GLY14    H

ref_spec: eng, ref_peak: 858, id: 857, d: 4.85, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42 HD11 -   TRP21  HH2    d: 7.03 +/- 0.51, weight: 0.1
      LEU42 HD12 -   TRP21  HH2
      LEU42 HD13 -   TRP21  HH2

      ILE44 HG21 -   TRP21  HH2    d: 6.30 +/- 0.51, weight: 0.3
      ILE44 HG22 -   TRP21  HH2
      ILE44 HG23 -   TRP21  HH2

      VAL15 HG21 -   TRP21  HH2    d: 8.63 +/- 1.02, weight: 0.0
      VAL15 HG22 -   TRP21  HH2
      VAL15 HG23 -   TRP21  HH2

      LEU42 HD11 -   TRP21  HH2    d: 7.03 +/- 0.51, weight: 0.1
      LEU42 HD12 -   TRP21  HH2
      LEU42 HD13 -   TRP21  HH2

      ILE44 HG21 -   TRP21  HH2    d: 6.30 +/- 0.50, weight: 0.3
      ILE44 HG22 -   TRP21  HH2
      ILE44 HG23 -   TRP21  HH2

ref_spec: eng, ref_peak: 859, id: 858, d: 2.65, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15 HG21 -   VAL15   HA    d: 3.00 +/- 0.29, weight: 0.5
      VAL15 HG22 -   VAL15   HA
      VAL15 HG23 -   VAL15   HA

      VAL15 HG21 -   VAL15   HA    d: 3.00 +/- 0.29, weight: 0.5
      VAL15 HG22 -   VAL15   HA
      VAL15 HG23 -   VAL15   HA

ref_spec: eng, ref_peak: 860, id: 859, d: 4.06, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42 HD11 -   LEU42   HA    d: 4.58 +/- 0.52, weight: 0.5
      LEU42 HD12 -   LEU42   HA
      LEU42 HD13 -   LEU42   HA

      LEU42 HD11 -   LEU42   HA    d: 4.58 +/- 0.52, weight: 0.5
      LEU42 HD12 -   LEU42   HA
      LEU42 HD13 -   LEU42   HA

ref_spec: eng, ref_peak: 861, id: 860, d: 4.39, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48 HD11 -   ILE44 HG21    d: 5.52 +/- 0.44, weight: 0.1
      LEU48 HD11 -   ILE44 HG22
      LEU48 HD11 -   ILE44 HG23
      LEU48 HD12 -   ILE44 HG21
      LEU48 HD12 -   ILE44 HG22
      LEU48 HD12 -   ILE44 HG23
      LEU48 HD13 -   ILE44 HG21
      LEU48 HD13 -   ILE44 HG22
      LEU48 HD13 -   ILE44 HG23

      LEU48 HD11 -   ILE44 HG21    d: 5.52 +/- 0.44, weight: 0.1
      LEU48 HD11 -   ILE44 HG22
      LEU48 HD11 -   ILE44 HG23
      LEU48 HD12 -   ILE44 HG21
      LEU48 HD12 -   ILE44 HG22
      LEU48 HD12 -   ILE44 HG23
      LEU48 HD13 -   ILE44 HG21
      LEU48 HD13 -   ILE44 HG22
      LEU48 HD13 -   ILE44 HG23

      LEU48 HD11 -   LEU25   HG    d: 4.77 +/- 0.22, weight: 0.3
      LEU48 HD12 -   LEU25   HG
      LEU48 HD13 -   LEU25   HG

      LEU48 HD11 -   LEU25   HG    d: 4.77 +/- 0.22, weight: 0.3
      LEU48 HD12 -   LEU25   HG
      LEU48 HD13 -   LEU25   HG

ref_spec: eng, ref_peak: 862, id: 861, d: 2.04, u: 2.86, u_viol: 0.28, %_viol: 10.0, viol: no, reliable: no, a_type: A
      LEU36 HD21 -   LEU36    H    d: 2.26 +/- 0.47, weight: 0.5
      LEU36 HD22 -   LEU36    H
      LEU36 HD23 -   LEU36    H

      LEU36 HD21 -   LEU36    H    d: 2.26 +/- 0.47, weight: 0.5
      LEU36 HD22 -   LEU36    H
      LEU36 HD23 -   LEU36    H

ref_spec: eng, ref_peak: 863, id: 862, d: 3.82, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36 HD21 -   THR35   HA    d: 4.46 +/- 0.53, weight: 0.5
      LEU36 HD22 -   THR35   HA
      LEU36 HD23 -   THR35   HA

      LEU36 HD21 -   THR35   HA    d: 4.46 +/- 0.54, weight: 0.5
      LEU36 HD22 -   THR35   HA
      LEU36 HD23 -   THR35   HA

ref_spec: eng, ref_peak: 864, id: 863, d: 5.15, u: 6.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36 HD21 -   MET26   HA    d: 6.61 +/- 0.30, weight: 0.5
      LEU36 HD22 -   MET26   HA
      LEU36 HD23 -   MET26   HA

      LEU36 HD21 -   MET26   HA    d: 6.61 +/- 0.30, weight: 0.5
      LEU36 HD22 -   MET26   HA
      LEU36 HD23 -   MET26   HA

ref_spec: eng, ref_peak: 865, id: 864, d: 3.86, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36 HD21 -   LEU36   HA    d: 4.32 +/- 0.16, weight: 0.5
      LEU36 HD22 -   LEU36   HA
      LEU36 HD23 -   LEU36   HA

      LEU36 HD21 -   LEU36   HA    d: 4.32 +/- 0.16, weight: 0.5
      LEU36 HD22 -   LEU36   HA
      LEU36 HD23 -   LEU36   HA

ref_spec: eng, ref_peak: 866, id: 865, d: 4.12, u: 4.67, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15 HG11 -   TYR16   HA    d: 4.79 +/- 0.57, weight: 0.5
      VAL15 HG12 -   TYR16   HA
      VAL15 HG13 -   TYR16   HA

      VAL15 HG11 -   TYR16   HA    d: 4.79 +/- 0.57, weight: 0.5
      VAL15 HG12 -   TYR16   HA
      VAL15 HG13 -   TYR16   HA

ref_spec: eng, ref_peak: 867, id: 866, d: 3.62, u: 3.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13 HD21 -   LEU13   HA    d: 3.83 +/- 0.53, weight: 0.5
      LEU13 HD22 -   LEU13   HA
      LEU13 HD23 -   LEU13   HA

      LEU13 HD21 -   LEU13   HA    d: 3.83 +/- 0.54, weight: 0.5
      LEU13 HD22 -   LEU13   HA
      LEU13 HD23 -   LEU13   HA

ref_spec: eng, ref_peak: 869, id: 868, d: 4.15, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13 HD11 -   LEU13    H    d: 4.52 +/- 0.15, weight: 0.5
      LEU13 HD12 -   LEU13    H
      LEU13 HD13 -   LEU13    H

      LEU13 HD11 -   LEU13    H    d: 4.52 +/- 0.15, weight: 0.5
      LEU13 HD12 -   LEU13    H
      LEU13 HD13 -   LEU13    H

ref_spec: eng, ref_peak: 870, id: 869, d: 2.49, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13 HD11 -   LEU13  HB2    d: 2.87 +/- 0.32, weight: 0.5
      LEU13 HD12 -   LEU13  HB2
      LEU13 HD13 -   LEU13  HB2

      LEU13 HD11 -   LEU13  HB2    d: 2.91 +/- 0.32, weight: 0.5
      LEU13 HD12 -   LEU13  HB2
      LEU13 HD13 -   LEU13  HB2

ref_spec: eng, ref_peak: 871, id: 870, d: 3.61, u: 3.83, u_viol: 0.68, %_viol: 40.0, viol: no, reliable: no, a_type: A
       LEU8 HD21 -    LEU8    H    d: 4.29 +/- 0.71, weight: 0.5
       LEU8 HD22 -    LEU8    H
       LEU8 HD23 -    LEU8    H

       LEU8 HD21 -    LEU8    H    d: 4.29 +/- 0.71, weight: 0.5
       LEU8 HD22 -    LEU8    H
       LEU8 HD23 -    LEU8    H

ref_spec: eng, ref_peak: 872, id: 871, d: 5.38, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13 HD11 -   HIS22  HD2    d: 6.75 +/- 0.72, weight: 0.5
      LEU13 HD12 -   HIS22  HD2
      LEU13 HD13 -   HIS22  HD2

      LEU13 HD11 -   HIS22  HD2    d: 6.75 +/- 0.72, weight: 0.5
      LEU13 HD12 -   HIS22  HD2
      LEU13 HD13 -   HIS22  HD2

ref_spec: eng, ref_peak: 873, id: 872, d: 4.41, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13 HD11 -   LEU13   HA    d: 4.89 +/- 0.11, weight: 0.5
      LEU13 HD12 -   LEU13   HA
      LEU13 HD13 -   LEU13   HA

      LEU13 HD11 -   LEU13   HA    d: 4.89 +/- 0.11, weight: 0.5
      LEU13 HD12 -   LEU13   HA
      LEU13 HD13 -   LEU13   HA

ref_spec: eng, ref_peak: 874, id: 873, d: 2.33, u: 2.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25 HD21 -   LEU25   HA    d: 2.26 +/- 0.18, weight: 0.5
      LEU25 HD22 -   LEU25   HA
      LEU25 HD23 -   LEU25   HA

      LEU25 HD21 -   LEU25   HA    d: 2.26 +/- 0.18, weight: 0.5
      LEU25 HD22 -   LEU25   HA
      LEU25 HD23 -   LEU25   HA

ref_spec: eng, ref_peak: 875, id: 874, d: 5.50, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25 HD21 -   HIS22  HB3    d: 9.74 +/- 0.45, weight: 0.0
      LEU25 HD22 -   HIS22  HB3
      LEU25 HD23 -   HIS22  HB3

      LEU25 HD21 -   CYS40   HA    d: 6.89 +/- 0.37, weight: 0.4
      LEU25 HD22 -   CYS40   HA
      LEU25 HD23 -   CYS40   HA

      LEU25 HD21 -   HIS22  HB3    d: 9.81 +/- 0.44, weight: 0.0
      LEU25 HD22 -   HIS22  HB3
      LEU25 HD23 -   HIS22  HB3

      LEU25 HD21 -   CYS40   HA    d: 6.89 +/- 0.37, weight: 0.4
      LEU25 HD22 -   CYS40   HA
      LEU25 HD23 -   CYS40   HA

ref_spec: eng, ref_peak: 876, id: 875, d: 2.54, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28 HG21 -   ILE28   HA    d: 2.66 +/- 0.04, weight: 0.5
      ILE28 HG22 -   ILE28   HA
      ILE28 HG23 -   ILE28   HA

      ILE28 HG21 -   ILE28   HA    d: 2.66 +/- 0.04, weight: 0.5
      ILE28 HG22 -   ILE28   HA
      ILE28 HG23 -   ILE28   HA

ref_spec: eng, ref_peak: 877, id: 876, d: 6.04, u: 11.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25 HD21 -   ILE44   HA    d: 5.17 +/- 0.40, weight: 0.5
      LEU25 HD22 -   ILE44   HA
      LEU25 HD23 -   ILE44   HA

      LEU25 HD21 -   ILE44   HA    d: 5.17 +/- 0.41, weight: 0.5
      LEU25 HD22 -   ILE44   HA
      LEU25 HD23 -   ILE44   HA

ref_spec: eng, ref_peak: 878, id: 877, d: 4.10, u: 4.52, u_viol: 0.36, %_viol: 40.0, viol: no, reliable: no, a_type: A
      LEU25 HD21 -   TRP21  HB2    d: 5.04 +/- 0.79, weight: 0.4
      LEU25 HD22 -   TRP21  HB2
      LEU25 HD23 -   TRP21  HB2

      LEU25 HD21 -   TRP21  HB2    d: 4.80 +/- 0.90, weight: 0.6
      LEU25 HD22 -   TRP21  HB2
      LEU25 HD23 -   TRP21  HB2

ref_spec: eng, ref_peak: 879, id: 878, d: 4.13, u: 5.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD11 -   LEU34   HA    d: 4.67 +/- 0.01, weight: 0.5
      LEU34 HD12 -   LEU34   HA
      LEU34 HD13 -   LEU34   HA

      LEU34 HD11 -   LEU34   HA    d: 4.67 +/- 0.01, weight: 0.5
      LEU34 HD12 -   LEU34   HA
      LEU34 HD13 -   LEU34   HA

ref_spec: eng, ref_peak: 880, id: 879, d: 5.01, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD11 -   LYS32   HA    d: 5.36 +/- 0.06, weight: 0.5
      LEU34 HD12 -   LYS32   HA
      LEU34 HD13 -   LYS32   HA

      LEU34 HD11 -   LYS32   HA    d: 5.36 +/- 0.06, weight: 0.5
      LEU34 HD12 -   LYS32   HA
      LEU34 HD13 -   LYS32   HA

ref_spec: eng, ref_peak: 881, id: 880, d: 4.43, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD11 -   VAL39   HA    d: 4.72 +/- 0.15, weight: 0.5
      LEU34 HD12 -   VAL39   HA
      LEU34 HD13 -   VAL39   HA

      LEU34 HD11 -   VAL39   HA    d: 4.72 +/- 0.15, weight: 0.5
      LEU34 HD12 -   VAL39   HA
      LEU34 HD13 -   VAL39   HA

ref_spec: eng, ref_peak: 882, id: 881, d: 4.14, u: 5.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD11 -   ASP38  HB2    d: 5.16 +/- 0.12, weight: 0.5
      LEU34 HD12 -   ASP38  HB2
      LEU34 HD13 -   ASP38  HB2

      LEU34 HD11 -   ASP38  HB2    d: 5.16 +/- 0.12, weight: 0.5
      LEU34 HD12 -   ASP38  HB2
      LEU34 HD13 -   ASP38  HB2

ref_spec: eng, ref_peak: 883, id: 882, d: 2.27, u: 2.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD11 -   LEU34   HG    d: 2.55 +/- 0.00, weight: 0.5
      LEU34 HD12 -   LEU34   HG
      LEU34 HD13 -   LEU34   HG

      LEU34 HD11 -   LEU34   HG    d: 2.55 +/- 0.00, weight: 0.5
      LEU34 HD12 -   LEU34   HG
      LEU34 HD13 -   LEU34   HG

ref_spec: eng, ref_peak: 884, id: 883, d: 3.82, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HD11 -   TRP21  HH2    d: 4.90 +/- 0.25, weight: 0.5
      ILE44 HD12 -   TRP21  HH2
      ILE44 HD13 -   TRP21  HH2

      ILE44 HD11 -   TRP21  HH2    d: 4.91 +/- 0.25, weight: 0.5
      ILE44 HD12 -   TRP21  HH2
      ILE44 HD13 -   TRP21  HH2

ref_spec: eng, ref_peak: 885, id: 884, d: 5.21, u: 5.17, u_viol: 0.22, %_viol: 40.0, viol: no, reliable: no, a_type: A
      ILE44 HD11 -   TRP21  HB2    d: 5.12 +/- 0.54, weight: 0.5
      ILE44 HD12 -   TRP21  HB2
      ILE44 HD13 -   TRP21  HB2

      ILE44 HD11 -   TRP21  HB2    d: 4.97 +/- 0.61, weight: 0.5
      ILE44 HD12 -   TRP21  HB2
      ILE44 HD13 -   TRP21  HB2

ref_spec: eng, ref_peak: 886, id: 885, d: 2.26, u: 2.18, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HD11 -   ILE44 HG13    d: 2.54 +/- 0.00, weight: 0.5
      ILE44 HD12 -   ILE44 HG13
      ILE44 HD13 -   ILE44 HG13

      ILE44 HD11 -   ILE44 HG13    d: 2.54 +/- 0.00, weight: 0.5
      ILE44 HD12 -   ILE44 HG13
      ILE44 HD13 -   ILE44 HG13

ref_spec: eng, ref_peak: 887, id: 886, d: 4.12, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36 HD11 -   LEU36    H    d: 4.73 +/- 0.13, weight: 0.5
      LEU36 HD12 -   LEU36    H
      LEU36 HD13 -   LEU36    H

      LEU36 HD11 -   LEU36    H    d: 4.73 +/- 0.13, weight: 0.5
      LEU36 HD12 -   LEU36    H
      LEU36 HD13 -   LEU36    H

ref_spec: eng, ref_peak: 888, id: 887, d: 3.90, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36 HD11 -   SER37    H    d: 4.52 +/- 0.12, weight: 0.5
      LEU36 HD12 -   SER37    H
      LEU36 HD13 -   SER37    H

      LEU36 HD11 -   SER37    H    d: 4.52 +/- 0.12, weight: 0.5
      LEU36 HD12 -   SER37    H
      LEU36 HD13 -   SER37    H

ref_spec: eng, ref_peak: 889, id: 888, d: 5.64, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24    H -   LEU48 HD21    d: 8.33 +/- 0.44, weight: 0.1
      ARG24    H -   LEU48 HD22
      ARG24    H -   LEU48 HD23

      ARG24    H -   ILE28 HD11    d: 7.44 +/- 0.10, weight: 0.2
      ARG24    H -   ILE28 HD12
      ARG24    H -   ILE28 HD13

      ARG24    H -   LEU36 HD11    d: 10.39 +/- 0.63, weight: 0.0
      ARG24    H -   LEU36 HD12
      ARG24    H -   LEU36 HD13

      ALA43    H -   LEU48 HD21    d: 9.78 +/- 0.20, weight: 0.0
      ALA43    H -   LEU48 HD22
      ALA43    H -   LEU48 HD23

      ARG24    H -   ILE28 HD11    d: 7.44 +/- 0.10, weight: 0.2
      ARG24    H -   ILE28 HD12
      ARG24    H -   ILE28 HD13

      ARG24    H -   LEU36 HD11    d: 10.39 +/- 0.63, weight: 0.0
      ARG24    H -   LEU36 HD12
      ARG24    H -   LEU36 HD13

      ARG24    H -   LEU48 HD21    d: 8.33 +/- 0.45, weight: 0.1
      ARG24    H -   LEU48 HD22
      ARG24    H -   LEU48 HD23

      ALA43    H -   LEU48 HD21    d: 9.79 +/- 0.19, weight: 0.0
      ALA43    H -   LEU48 HD22
      ALA43    H -   LEU48 HD23

ref_spec: eng, ref_peak: 891, id: 890, d: 5.66, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28 HD11 -   TRP21   HA    d: 7.16 +/- 0.63, weight: 0.2
      ILE28 HD12 -   TRP21   HA
      ILE28 HD13 -   TRP21   HA

      LEU36 HD11 -   THR35   HA    d: 7.08 +/- 0.12, weight: 0.2
      LEU36 HD12 -   THR35   HA
      LEU36 HD13 -   THR35   HA

      ILE28 HD11 -   TRP21   HA    d: 7.16 +/- 0.63, weight: 0.2
      ILE28 HD12 -   TRP21   HA
      ILE28 HD13 -   TRP21   HA

      LEU36 HD11 -   THR35   HA    d: 7.08 +/- 0.12, weight: 0.2
      LEU36 HD12 -   THR35   HA
      LEU36 HD13 -   THR35   HA

ref_spec: eng, ref_peak: 892, id: 891, d: 2.56, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36 HD11 -   LEU36 HD21    d: 2.99 +/- 0.01, weight: 0.3
      LEU36 HD11 -   LEU36 HD22
      LEU36 HD11 -   LEU36 HD23
      LEU36 HD12 -   LEU36 HD21
      LEU36 HD12 -   LEU36 HD22
      LEU36 HD12 -   LEU36 HD23
      LEU36 HD13 -   LEU36 HD21
      LEU36 HD13 -   LEU36 HD22
      LEU36 HD13 -   LEU36 HD23

      LEU36 HD11 -   ILE17 HD11    d: 3.42 +/- 0.58, weight: 0.2
      LEU36 HD11 -   ILE17 HD12
      LEU36 HD11 -   ILE17 HD13
      LEU36 HD12 -   ILE17 HD11
      LEU36 HD12 -   ILE17 HD12
      LEU36 HD12 -   ILE17 HD13
      LEU36 HD13 -   ILE17 HD11
      LEU36 HD13 -   ILE17 HD12
      LEU36 HD13 -   ILE17 HD13

      LEU36 HD11 -   LEU36 HD21    d: 2.99 +/- 0.01, weight: 0.3
      LEU36 HD11 -   LEU36 HD22
      LEU36 HD11 -   LEU36 HD23
      LEU36 HD12 -   LEU36 HD21
      LEU36 HD12 -   LEU36 HD22
      LEU36 HD12 -   LEU36 HD23
      LEU36 HD13 -   LEU36 HD21
      LEU36 HD13 -   LEU36 HD22
      LEU36 HD13 -   LEU36 HD23

ref_spec: eng, ref_peak: 893, id: 892, d: 4.39, u: 6.00, u_viol: 0.15, %_viol: 5.0, viol: no, reliable: no, a_type: A
      HIS22  HD2 -   LEU36 HD11    d: 5.47 +/- 0.66, weight: 0.5
      HIS22  HD2 -   LEU36 HD12
      HIS22  HD2 -   LEU36 HD13

      HIS22  HD2 -   LEU36 HD11    d: 5.47 +/- 0.66, weight: 0.5
      HIS22  HD2 -   LEU36 HD12
      HIS22  HD2 -   LEU36 HD13

ref_spec: eng, ref_peak: 894, id: 893, d: 4.79, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   LEU13    H    d: 5.55 +/- 0.44, weight: 0.5
      ILE11 HG22 -   LEU13    H
      ILE11 HG23 -   LEU13    H

      ILE11 HG21 -   LEU13    H    d: 5.55 +/- 0.44, weight: 0.5
      ILE11 HG22 -   LEU13    H
      ILE11 HG23 -   LEU13    H

ref_spec: eng, ref_peak: 895, id: 894, d: 5.08, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   ILE17    H    d: 5.48 +/- 0.21, weight: 0.5
      ILE11 HG22 -   ILE17    H
      ILE11 HG23 -   ILE17    H

      ILE11 HG21 -   ILE17    H    d: 5.47 +/- 0.20, weight: 0.5
      ILE11 HG22 -   ILE17    H
      ILE11 HG23 -   ILE17    H

ref_spec: eng, ref_peak: 896, id: 895, d: 2.28, u: 3.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   LYS12    H    d: 2.65 +/- 0.41, weight: 0.5
      ILE11 HG22 -   LYS12    H
      ILE11 HG23 -   LYS12    H

      ILE11 HG21 -   LYS12    H    d: 2.65 +/- 0.41, weight: 0.5
      ILE11 HG22 -   LYS12    H
      ILE11 HG23 -   LYS12    H

ref_spec: eng, ref_peak: 897, id: 896, d: 4.30, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   HIS22  HD2    d: 4.88 +/- 0.76, weight: 0.5
      ILE11 HG22 -   HIS22  HD2
      ILE11 HG23 -   HIS22  HD2

      ILE11 HG21 -   HIS22  HD2    d: 4.88 +/- 0.76, weight: 0.5
      ILE11 HG22 -   HIS22  HD2
      ILE11 HG23 -   HIS22  HD2

ref_spec: eng, ref_peak: 898, id: 897, d: 4.73, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   LEU13   HA    d: 5.52 +/- 0.53, weight: 0.5
      ILE11 HG22 -   LEU13   HA
      ILE11 HG23 -   LEU13   HA

      ILE11 HG21 -   LEU13   HA    d: 5.53 +/- 0.53, weight: 0.5
      ILE11 HG22 -   LEU13   HA
      ILE11 HG23 -   LEU13   HA

ref_spec: eng, ref_peak: 899, id: 898, d: 5.58, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   TYR16   HA    d: 5.93 +/- 0.28, weight: 0.5
      ILE11 HG22 -   TYR16   HA
      ILE11 HG23 -   TYR16   HA

      ILE11 HG21 -   TYR16   HA    d: 5.92 +/- 0.28, weight: 0.5
      ILE11 HG22 -   TYR16   HA
      ILE11 HG23 -   TYR16   HA

ref_spec: eng, ref_peak: 900, id: 899, d: 2.47, u: 3.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   ILE11   HA    d: 2.81 +/- 0.11, weight: 0.5
      ILE11 HG22 -   ILE11   HA
      ILE11 HG23 -   ILE11   HA

      ILE11 HG21 -   ILE11   HA    d: 2.81 +/- 0.11, weight: 0.5
      ILE11 HG22 -   ILE11   HA
      ILE11 HG23 -   ILE11   HA

ref_spec: eng, ref_peak: 901, id: 900, d: 4.70, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   GLN19   HA    d: 5.98 +/- 0.38, weight: 0.3
      ILE11 HG22 -   GLN19   HA
      ILE11 HG23 -   GLN19   HA

      ILE11 HG21 -   GLN19   HA    d: 5.98 +/- 0.38, weight: 0.3
      ILE11 HG22 -   GLN19   HA
      ILE11 HG23 -   GLN19   HA

      ILE11 HG21 -   HIS22  HB3    d: 6.78 +/- 0.53, weight: 0.2
      ILE11 HG22 -   HIS22  HB3
      ILE11 HG23 -   HIS22  HB3

ref_spec: eng, ref_peak: 902, id: 901, d: 5.03, u: 6.24, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   HIS22  HB2    d: 6.83 +/- 0.50, weight: 0.5
      ILE11 HG22 -   HIS22  HB2
      ILE11 HG23 -   HIS22  HB2

      ILE11 HG21 -   HIS22  HB2    d: 6.90 +/- 0.44, weight: 0.5
      ILE11 HG22 -   HIS22  HB2
      ILE11 HG23 -   HIS22  HB2

ref_spec: eng, ref_peak: 903, id: 902, d: 2.80, u: 5.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   ILE11 HG13    d: 3.30 +/- 0.48, weight: 0.5
      ILE11 HG22 -   ILE11 HG13
      ILE11 HG23 -   ILE11 HG13

      ILE11 HG21 -   ILE11 HG13    d: 3.24 +/- 0.52, weight: 0.5
      ILE11 HG22 -   ILE11 HG13
      ILE11 HG23 -   ILE11 HG13

ref_spec: eng, ref_peak: 904, id: 903, d: 4.37, u: 3.98, u_viol: 0.82, %_viol: 75.0, viol: no, reliable: no, a_type: A
      ILE11 HD11 -   GLN19    H    d: 3.83 +/- 0.86, weight: 0.5
      ILE11 HD12 -   GLN19    H
      ILE11 HD13 -   GLN19    H

      ILE11 HD11 -   GLN19    H    d: 3.82 +/- 0.86, weight: 0.5
      ILE11 HD12 -   GLN19    H
      ILE11 HD13 -   GLN19    H

ref_spec: eng, ref_peak: 905, id: 904, d: 3.32, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HD11 -   ILE11    H    d: 3.88 +/- 0.81, weight: 0.5
      ILE11 HD12 -   ILE11    H
      ILE11 HD13 -   ILE11    H

      ILE11 HD11 -   ILE11    H    d: 3.88 +/- 0.81, weight: 0.5
      ILE11 HD12 -   ILE11    H
      ILE11 HD13 -   ILE11    H

ref_spec: eng, ref_peak: 906, id: 905, d: 5.47, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HD11 -   ILE17    H    d: 5.87 +/- 0.82, weight: 0.5
      ILE11 HD12 -   ILE17    H
      ILE11 HD13 -   ILE17    H

      ILE11 HD11 -   ILE17    H    d: 5.87 +/- 0.82, weight: 0.5
      ILE11 HD12 -   ILE17    H
      ILE11 HD13 -   ILE17    H

ref_spec: eng, ref_peak: 907, id: 906, d: 4.38, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HD11 -   LYS12    H    d: 5.51 +/- 0.56, weight: 0.5
      ILE11 HD12 -   LYS12    H
      ILE11 HD13 -   LYS12    H

      ILE11 HD11 -   LYS12    H    d: 5.51 +/- 0.56, weight: 0.5
      ILE11 HD12 -   LYS12    H
      ILE11 HD13 -   LYS12    H

ref_spec: eng, ref_peak: 908, id: 907, d: 3.38, u: 5.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HD11 -   GLY10    H    d: 3.72 +/- 0.64, weight: 0.5
      ILE11 HD12 -   GLY10    H
      ILE11 HD13 -   GLY10    H

      ILE11 HD11 -   GLY10    H    d: 3.72 +/- 0.64, weight: 0.5
      ILE11 HD12 -   GLY10    H
      ILE11 HD13 -   GLY10    H

ref_spec: eng, ref_peak: 910, id: 909, d: 4.43, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HD11 -   HIS22  HB2    d: 5.49 +/- 0.46, weight: 0.5
      ILE11 HD12 -   HIS22  HB2
      ILE11 HD13 -   HIS22  HB2

      ILE11 HD11 -   HIS22  HB2    d: 5.65 +/- 0.54, weight: 0.4
      ILE11 HD12 -   HIS22  HB2
      ILE11 HD13 -   HIS22  HB2

ref_spec: eng, ref_peak: 911, id: 910, d: 5.37, u: 7.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HD11 -   GLN19  HG2    d: 5.14 +/- 0.68, weight: 0.5
      ILE11 HD12 -   GLN19  HG2
      ILE11 HD13 -   GLN19  HG2

      ILE11 HD11 -   GLN19  HG2    d: 5.20 +/- 0.63, weight: 0.5
      ILE11 HD12 -   GLN19  HG2
      ILE11 HD13 -   GLN19  HG2

ref_spec: eng, ref_peak: 912, id: 911, d: 2.27, u: 5.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HD11 -   ILE11 HG13    d: 2.55 +/- 0.00, weight: 0.5
      ILE11 HD12 -   ILE11 HG13
      ILE11 HD13 -   ILE11 HG13

      ILE11 HD11 -   ILE11 HG13    d: 2.55 +/- 0.00, weight: 0.5
      ILE11 HD12 -   ILE11 HG13
      ILE11 HD13 -   ILE11 HG13

ref_spec: eng, ref_peak: 913, id: 912, d: 4.15, u: 5.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HG2 -   TRP21  HZ2    d: 4.02 +/- 0.49, weight: 0.4

      PRO18  HG2 -   TRP21  HZ2    d: 4.04 +/- 0.44, weight: 0.4

ref_spec: eng, ref_peak: 914, id: 913, d: 3.11, u: 4.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HG2 -   TRP21  HH2    d: 5.49 +/- 0.41, weight: 0.1

      PRO18  HG2 -   TRP21    H    d: 4.70 +/- 0.42, weight: 0.4

      PRO18  HG2 -   TRP21    H    d: 4.78 +/- 0.25, weight: 0.3

ref_spec: eng, ref_peak: 915, id: 914, d: 2.93, u: 5.22, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HG2 -   TRP21  HD1    d: 4.14 +/- 0.43, weight: 0.5

      PRO18  HG2 -   TRP21  HD1    d: 4.22 +/- 0.42, weight: 0.5

ref_spec: eng, ref_peak: 916, id: 915, d: 4.12, u: 5.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HG2 -   ILE17   HA    d: 4.50 +/- 0.11, weight: 0.5

      PRO18  HG2 -   ILE17   HA    d: 4.49 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 917, id: 916, d: 3.51, u: 3.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HG2 -   PRO18   HA    d: 3.92 +/- 0.20, weight: 0.5

      PRO18  HG2 -   PRO18   HA    d: 3.90 +/- 0.25, weight: 0.5

ref_spec: eng, ref_peak: 918, id: 917, d: 1.55, u: 2.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HG2 -   PRO18  HG3    d: 1.77 +/- 0.00, weight: 0.4

      PRO18  HG2 -   PRO18  HG3    d: 1.77 +/- 0.00, weight: 0.4

ref_spec: eng, ref_peak: 919, id: 918, d: 5.93, u: 6.00, u_viol: 0.09, %_viol: 10.0, viol: no, reliable: no, a_type: A
      LEU48 HD11 -   ILE44    H    d: 7.50 +/- 0.11, weight: 0.1
      LEU48 HD12 -   ILE44    H
      LEU48 HD13 -   ILE44    H

      LEU48 HD11 -   ASP52    H    d: 6.93 +/- 0.15, weight: 0.2
      LEU48 HD12 -   ASP52    H
      LEU48 HD13 -   ASP52    H

      LEU48 HD11 -   ILE44    H    d: 7.50 +/- 0.11, weight: 0.1
      LEU48 HD12 -   ILE44    H
      LEU48 HD13 -   ILE44    H

      LEU48 HD11 -   ASP52    H    d: 6.93 +/- 0.15, weight: 0.2
      LEU48 HD12 -   ASP52    H
      LEU48 HD13 -   ASP52    H

      LEU48 HD11 -   MET26    H    d: 7.98 +/- 0.26, weight: 0.1
      LEU48 HD12 -   MET26    H
      LEU48 HD13 -   MET26    H

ref_spec: eng, ref_peak: 920, id: 919, d: 5.43, u: 4.49, u_viol: 0.94, %_viol: 100.0, viol: no, reliable: no, a_type: A
      LEU48 HD11 -   TRP21  HD1    d: 5.01 +/- 0.27, weight: 0.5
      LEU48 HD12 -   TRP21  HD1
      LEU48 HD13 -   TRP21  HD1

      LEU48 HD11 -   TRP21  HD1    d: 5.01 +/- 0.28, weight: 0.5
      LEU48 HD12 -   TRP21  HD1
      LEU48 HD13 -   TRP21  HD1

ref_spec: eng, ref_peak: 922, id: 921, d: 5.46, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48 HD11 -   TRP21   HA    d: 5.09 +/- 0.29, weight: 0.5
      LEU48 HD12 -   TRP21   HA
      LEU48 HD13 -   TRP21   HA

      LEU48 HD11 -   TRP21   HA    d: 5.09 +/- 0.30, weight: 0.5
      LEU48 HD12 -   TRP21   HA
      LEU48 HD13 -   TRP21   HA

ref_spec: eng, ref_peak: 923, id: 922, d: 4.24, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48 HD11 -   ILE44   HB    d: 4.53 +/- 0.11, weight: 0.5
      LEU48 HD12 -   ILE44   HB
      LEU48 HD13 -   ILE44   HB

      LEU48 HD11 -   ILE44   HB    d: 4.53 +/- 0.11, weight: 0.5
      LEU48 HD12 -   ILE44   HB
      LEU48 HD13 -   ILE44   HB

ref_spec: eng, ref_peak: 927, id: 926, d: 2.66, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48 HD11 -   LEU48 HD21    d: 3.01 +/- 0.00, weight: 0.5
      LEU48 HD11 -   LEU48 HD22
      LEU48 HD11 -   LEU48 HD23
      LEU48 HD12 -   LEU48 HD21
      LEU48 HD12 -   LEU48 HD22
      LEU48 HD12 -   LEU48 HD23
      LEU48 HD13 -   LEU48 HD21
      LEU48 HD13 -   LEU48 HD22
      LEU48 HD13 -   LEU48 HD23

      LEU48 HD11 -   LEU48 HD21    d: 3.01 +/- 0.00, weight: 0.5
      LEU48 HD11 -   LEU48 HD22
      LEU48 HD11 -   LEU48 HD23
      LEU48 HD12 -   LEU48 HD21
      LEU48 HD12 -   LEU48 HD22
      LEU48 HD12 -   LEU48 HD23
      LEU48 HD13 -   LEU48 HD21
      LEU48 HD13 -   LEU48 HD22
      LEU48 HD13 -   LEU48 HD23

ref_spec: eng, ref_peak: 928, id: 927, d: 2.51, u: 3.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25    H -   LEU25   HA    d: 2.80 +/- 0.00, weight: 0.5

      LEU25    H -   LEU25   HA    d: 2.80 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 929, id: 928, d: 2.29, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25    H -   LEU25  HB3    d: 2.90 +/- 0.12, weight: 0.5

      LEU25    H -   LEU25  HB3    d: 2.95 +/- 0.13, weight: 0.5

ref_spec: eng, ref_peak: 930, id: 929, d: 2.29, u: 3.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25    H -   LEU25  HB2    d: 2.22 +/- 0.28, weight: 0.5

      LEU25    H -   LEU25  HB2    d: 2.17 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 931, id: 930, d: 3.16, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25    H -   LEU25 HD21    d: 4.27 +/- 0.39, weight: 0.5
      LEU25    H -   LEU25 HD22
      LEU25    H -   LEU25 HD23

      LEU25    H -   LEU25 HD21    d: 4.27 +/- 0.39, weight: 0.5
      LEU25    H -   LEU25 HD22
      LEU25    H -   LEU25 HD23

ref_spec: eng, ref_peak: 932, id: 931, d: 2.44, u: 3.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25   HA -   LEU25  HB3    d: 2.97 +/- 0.01, weight: 0.5

      LEU25   HA -   LEU25  HB3    d: 2.96 +/- 0.07, weight: 0.5

ref_spec: eng, ref_peak: 933, id: 932, d: 2.44, u: 3.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25   HA -   LEU25  HB2    d: 2.67 +/- 0.02, weight: 0.5

      LEU25   HA -   LEU25  HB2    d: 2.69 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 934, id: 933, d: 2.79, u: 3.84, u_viol: 0.22, %_viol: 15.0, viol: no, reliable: no, a_type: A
       ASN9    H -   GLY10    H    d: 3.58 +/- 0.66, weight: 0.5

       ASN9    H -   GLY10    H    d: 3.58 +/- 0.66, weight: 0.5

ref_spec: eng, ref_peak: 935, id: 934, d: 2.16, u: 3.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ASN9    H -    ASN9   HA    d: 2.59 +/- 0.31, weight: 0.5

       ASN9    H -    ASN9   HA    d: 2.59 +/- 0.31, weight: 0.5

ref_spec: eng, ref_peak: 936, id: 935, d: 2.07, u: 3.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19    H -   PRO18   HA    d: 2.16 +/- 0.02, weight: 0.5

      GLN19    H -   PRO18   HA    d: 2.16 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 937, id: 936, d: 3.51, u: 5.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23    H -   LEU25    H    d: 4.41 +/- 0.06, weight: 0.5

      ASP23    H -   LEU25    H    d: 4.41 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 938, id: 937, d: 4.37, u: 6.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   GLY10  HA3    d: 4.72 +/- 0.21, weight: 0.5

      ILE17    H -   GLY10  HA3    d: 4.72 +/- 0.24, weight: 0.5

ref_spec: eng, ref_peak: 939, id: 938, d: 2.60, u: 2.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29    H -   ILE28   HB    d: 2.74 +/- 0.08, weight: 0.5

      ALA29    H -   ILE28   HB    d: 2.74 +/- 0.08, weight: 0.5

ref_spec: eng, ref_peak: 940, id: 939, d: 3.01, u: 2.95, u_viol: 0.38, %_viol: 55.0, viol: no, reliable: no, a_type: A
       ASN9    H -    ASN9  HB2    d: 3.23 +/- 0.49, weight: 0.5
       ASN9    H -    ASN9  HB3

       ASN9    H -    ASN9  HB2    d: 3.23 +/- 0.49, weight: 0.5
       ASN9    H -    ASN9  HB3

ref_spec: eng, ref_peak: 941, id: 940, d: 4.49, u: 4.85, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ASN9    H -    LYS6    H    d: 5.08 +/- 0.62, weight: 0.5

       ASN9    H -    LYS6    H    d: 5.08 +/- 0.62, weight: 0.5

ref_spec: eng, ref_peak: 942, id: 941, d: 4.64, u: 6.08, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   LEU48 HD11    d: 4.67 +/- 0.39, weight: 0.5
      TRP21  HE1 -   LEU48 HD12
      TRP21  HE1 -   LEU48 HD13

      TRP21  HE1 -   LEU48 HD11    d: 4.67 +/- 0.39, weight: 0.5
      TRP21  HE1 -   LEU48 HD12
      TRP21  HE1 -   LEU48 HD13

ref_spec: eng, ref_peak: 943, id: 942, d: 4.08, u: 5.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15   HA -   TYR16  HB3    d: 4.82 +/- 0.69, weight: 0.5

      VAL15   HA -   TYR16  HB3    d: 4.95 +/- 0.68, weight: 0.5

ref_spec: eng, ref_peak: 944, id: 943, d: 2.56, u: 4.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS55   HA -   LYS56    H    d: 3.25 +/- 0.11, weight: 0.5

      LYS55   HA -   LYS56    H    d: 3.25 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 945, id: 944, d: 2.27, u: 3.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27    H -   GLU27  HB3    d: 2.56 +/- 0.02, weight: 0.5

      GLU27    H -   GLU27  HB3    d: 2.56 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 946, id: 945, d: 4.09, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   LEU42   HG    d: 4.07 +/- 0.17, weight: 0.5

      ALA43    H -   LEU42   HG    d: 4.07 +/- 0.17, weight: 0.5

ref_spec: eng, ref_peak: 947, id: 946, d: 5.62, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41 HH21 -   ARG41    H    d: 7.90 +/- 0.82, weight: 0.1
      ARG41 HH22 -   ARG41    H

      ARG41 HH11 -   ARG41    H    d: 6.90 +/- 0.25, weight: 0.3
      ARG41 HH12 -   ARG41    H

      ARG41 HH21 -   ARG41    H    d: 7.91 +/- 0.82, weight: 0.1
      ARG41 HH22 -   ARG41    H

      ARG41 HH11 -   ARG41    H    d: 6.90 +/- 0.25, weight: 0.3
      ARG41 HH12 -   ARG41    H

ref_spec: eng, ref_peak: 948, id: 947, d: 2.41, u: 5.28, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS56   HA -   LYS56  HB3    d: 2.76 +/- 0.28, weight: 0.5

      LYS56   HA -   LYS56  HB3    d: 2.73 +/- 0.27, weight: 0.5

ref_spec: eng, ref_peak: 949, id: 948, d: 2.38, u: 4.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS56   HA -   LYS56  HB2    d: 2.70 +/- 0.28, weight: 0.5

      LYS56   HA -   LYS56  HB2    d: 2.73 +/- 0.28, weight: 0.5

ref_spec: eng, ref_peak: 950, id: 949, d: 5.94, u: 6.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   LEU48 HD21    d: 7.63 +/- 0.42, weight: 0.3
      TRP21  HE1 -   LEU48 HD22
      TRP21  HE1 -   LEU48 HD23

      TRP21  HE1 -   LEU25 HD11    d: 8.62 +/- 0.43, weight: 0.2
      TRP21  HE1 -   LEU25 HD12
      TRP21  HE1 -   LEU25 HD13

      TRP21  HE1 -   LEU48 HD21    d: 7.62 +/- 0.42, weight: 0.3
      TRP21  HE1 -   LEU48 HD22
      TRP21  HE1 -   LEU48 HD23

ref_spec: eng, ref_peak: 951, id: 950, d: 5.17, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   LEU25 HD11    d: 8.26 +/- 0.50, weight: 0.1
      TRP21  HH2 -   LEU25 HD12
      TRP21  HH2 -   LEU25 HD13

      TRP21  HH2 -   LEU48 HD21    d: 8.86 +/- 0.34, weight: 0.1
      TRP21  HH2 -   LEU48 HD22
      TRP21  HH2 -   LEU48 HD23

      TRP21    H -   LEU25 HD11    d: 7.94 +/- 0.29, weight: 0.2
      TRP21    H -   LEU25 HD12
      TRP21    H -   LEU25 HD13

      TRP21  HH2 -   LEU48 HD21    d: 8.86 +/- 0.34, weight: 0.1
      TRP21  HH2 -   LEU48 HD22
      TRP21  HH2 -   LEU48 HD23

      TRP21  HH2 -   LEU25 HD11    d: 8.26 +/- 0.50, weight: 0.1
      TRP21  HH2 -   LEU25 HD12
      TRP21  HH2 -   LEU25 HD13

      TRP21    H -   LEU25 HD11    d: 7.94 +/- 0.29, weight: 0.2
      TRP21    H -   LEU25 HD12
      TRP21    H -   LEU25 HD13

ref_spec: eng, ref_peak: 952, id: 951, d: 5.66, u: 6.00, u_viol: 0.17, %_viol: 35.0, viol: no, reliable: no, a_type: A
      TRP21  HD1 -   LEU48 HD21    d: 7.43 +/- 0.35, weight: 0.3
      TRP21  HD1 -   LEU48 HD22
      TRP21  HD1 -   LEU48 HD23

      TRP21  HD1 -   LEU48 HD21    d: 7.43 +/- 0.34, weight: 0.3
      TRP21  HD1 -   LEU48 HD22
      TRP21  HD1 -   LEU48 HD23

      TRP21  HD1 -   LEU25 HD11    d: 7.64 +/- 0.32, weight: 0.2
      TRP21  HD1 -   LEU25 HD12
      TRP21  HD1 -   LEU25 HD13

      TRP21  HD1 -   LEU25 HD11    d: 7.64 +/- 0.32, weight: 0.2
      TRP21  HD1 -   LEU25 HD12
      TRP21  HD1 -   LEU25 HD13

ref_spec: eng, ref_peak: 953, id: 952, d: 4.63, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   ILE17 HG13    d: 4.81 +/- 0.34, weight: 0.5

      TRP21  HZ3 -   ILE17 HG13    d: 4.73 +/- 0.34, weight: 0.5

ref_spec: eng, ref_peak: 954, id: 953, d: 1.56, u: 2.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS12  HB2 -   LYS12  HB3    d: 1.76 +/- 0.00, weight: 0.5

      LYS12  HB2 -   LYS12  HB3    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 955, id: 954, d: 4.17, u: 4.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS12  HB2 -   LYS12  HE2    d: 4.21 +/- 0.98, weight: 0.5
      LYS12  HB2 -   LYS12  HE3

      LYS12  HB2 -   LYS12  HE2    d: 4.25 +/- 0.82, weight: 0.5
      LYS12  HB2 -   LYS12  HE3

ref_spec: eng, ref_peak: 956, id: 955, d: 4.61, u: 4.55, u_viol: 0.09, %_viol: 25.0, viol: no, reliable: no, a_type: A
      LYS12  HB2 -   TYR16   HA    d: 4.72 +/- 1.04, weight: 0.5

      LYS12  HB2 -   TYR16   HA    d: 4.66 +/- 1.00, weight: 0.5

ref_spec: eng, ref_peak: 957, id: 956, d: 2.72, u: 7.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS12  HB2 -   TYR16  HE1    d: 4.31 +/- 1.37, weight: 0.4
      LYS12  HB2 -   TYR16  HE2

      LYS12  HB2 -   TYR16  HE1    d: 4.16 +/- 1.41, weight: 0.6
      LYS12  HB2 -   TYR16  HE2

ref_spec: eng, ref_peak: 958, id: 957, d: 2.88, u: 3.59, u_viol: 0.22, %_viol: 15.0, viol: no, reliable: no, a_type: A
      CYS40   HA -   ILE44 HG21    d: 3.35 +/- 0.44, weight: 0.5
      CYS40   HA -   ILE44 HG22
      CYS40   HA -   ILE44 HG23

      CYS40   HA -   ILE44 HG21    d: 3.35 +/- 0.44, weight: 0.5
      CYS40   HA -   ILE44 HG22
      CYS40   HA -   ILE44 HG23

ref_spec: eng, ref_peak: 959, id: 958, d: 5.97, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43   HA -   ARG41  HD3    d: 6.81 +/- 0.05, weight: 0.5

      ALA43   HA -   ARG41  HD3    d: 6.81 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 960, id: 959, d: 4.57, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG21 -   ARG41  HD3    d: 5.52 +/- 0.27, weight: 0.5
      ILE17 HG22 -   ARG41  HD3
      ILE17 HG23 -   ARG41  HD3

      ILE17 HG21 -   ARG41  HD3    d: 5.52 +/- 0.27, weight: 0.5
      ILE17 HG22 -   ARG41  HD3
      ILE17 HG23 -   ARG41  HD3

ref_spec: eng, ref_peak: 961, id: 960, d: 3.94, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15   HB -   SER37   HA    d: 3.93 +/- 0.62, weight: 0.5

      VAL15   HB -   SER37   HA    d: 3.93 +/- 0.62, weight: 0.5

ref_spec: eng, ref_peak: 962, id: 961, d: 3.28, u: 3.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34  HB3 -   ASP38  HB3    d: 3.60 +/- 0.65, weight: 0.2

      LEU34  HB3 -   ASP38  HB3    d: 2.89 +/- 0.69, weight: 0.7

ref_spec: eng, ref_peak: 963, id: 962, d: 4.46, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15   HB -   CYS40  HB3    d: 5.77 +/- 0.54, weight: 0.2

      VAL15   HB -   CYS40  HB3    d: 5.41 +/- 0.40, weight: 0.2

      VAL15   HB -   CYS40  HB3    d: 5.40 +/- 0.38, weight: 0.3

      VAL15   HB -   CYS40  HB3    d: 5.80 +/- 0.55, weight: 0.2

ref_spec: eng, ref_peak: 964, id: 963, d: 3.87, u: 3.72, u_viol: 0.15, %_viol: 95.0, viol: no, reliable: no, a_type: A
      VAL15   HB -   CYS40  HB2    d: 4.52 +/- 0.36, weight: 0.4

      VAL15   HB -   CYS40  HB2    d: 4.53 +/- 0.40, weight: 0.4

      VAL15   HB -   CYS40  HB2    d: 5.71 +/- 0.44, weight: 0.1

ref_spec: eng, ref_peak: 965, id: 964, d: 5.82, u: 6.00, u_viol: 0.07, %_viol: 0.0, viol: no, reliable: no, a_type: A
      SER37   HA -   LEU25   HG    d: 8.47 +/- 0.35, weight: 0.1

      ILE28 HG12 -   GLU31   HA    d: 8.31 +/- 0.23, weight: 0.1

      LEU42 HD11 -   SER37   HA    d: 8.71 +/- 0.71, weight: 0.1
      LEU42 HD12 -   SER37   HA
      LEU42 HD13 -   SER37   HA

      ILE44 HG21 -   SER37   HA    d: 8.09 +/- 0.39, weight: 0.1
      ILE44 HG22 -   SER37   HA
      ILE44 HG23 -   SER37   HA

      SER37   HA -   LEU25   HG    d: 8.47 +/- 0.35, weight: 0.1

      ILE28 HG12 -   GLU31   HA    d: 8.31 +/- 0.20, weight: 0.1

      LEU42 HD11 -   SER37   HA    d: 8.71 +/- 0.71, weight: 0.1
      LEU42 HD12 -   SER37   HA
      LEU42 HD13 -   SER37   HA

      ILE44 HG21 -   SER37   HA    d: 8.09 +/- 0.39, weight: 0.1
      ILE44 HG22 -   SER37   HA
      ILE44 HG23 -   SER37   HA

ref_spec: eng, ref_peak: 966, id: 965, d: 3.71, u: 11.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42 HD11 -   ASP38  HB2    d: 5.15 +/- 1.11, weight: 0.4
      LEU42 HD12 -   ASP38  HB2
      LEU42 HD13 -   ASP38  HB2

      LEU42 HD11 -   ASP38  HB2    d: 5.15 +/- 1.11, weight: 0.4
      LEU42 HD12 -   ASP38  HB2
      LEU42 HD13 -   ASP38  HB2

ref_spec: eng, ref_peak: 967, id: 966, d: 3.18, u: 3.25, u_viol: 0.12, %_viol: 15.0, viol: no, reliable: no, a_type: A
      VAL15 HG11 -   SER37   HA    d: 3.27 +/- 0.71, weight: 0.5
      VAL15 HG12 -   SER37   HA
      VAL15 HG13 -   SER37   HA

      VAL15 HG11 -   SER37   HA    d: 3.27 +/- 0.71, weight: 0.5
      VAL15 HG12 -   SER37   HA
      VAL15 HG13 -   SER37   HA

ref_spec: weit, ref_peak: 175, id: 1141, d: 6.77, u: 2.56, u_viol: 4.21, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      LYS53  HD2 -   LYS55  HG2    d: 8.13 +/- 1.51, weight: 0.5
      LYS53  HD2 -   LYS55  HG3
      LYS53  HD3 -   LYS55  HG2
      LYS53  HD3 -   LYS55  HG3

      LYS53  HD2 -   LYS55  HG2    d: 8.13 +/- 1.51, weight: 0.5
      LYS53  HD2 -   LYS55  HG3
      LYS53  HD3 -   LYS55  HG2
      LYS53  HD3 -   LYS55  HG3

ref_spec: weit, ref_peak: 214, id: 1180, d: 1.85, u: 3.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28 HG12 -   ILE28    H    d: 1.94 +/- 0.31, weight: 0.5

      ILE28 HG12 -   ILE28    H    d: 1.94 +/- 0.31, weight: 0.5

ref_spec: eng, ref_peak: 181, id: 180, d: 6.46, u: 5.49, u_viol: 0.97, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      ASN50    H -   LEU48 HD11    d: 7.73 +/- 0.07, weight: 0.4
      ASN50    H -   LEU48 HD12
      ASN50    H -   LEU48 HD13

      ARG24 HH11 -   LEU48 HD11    d: 9.37 +/- 0.47, weight: 0.1
      ARG24 HH11 -   LEU48 HD12
      ARG24 HH11 -   LEU48 HD13
      ARG24 HH12 -   LEU48 HD11
      ARG24 HH12 -   LEU48 HD12
      ARG24 HH12 -   LEU48 HD13

      ASN50    H -   LEU48 HD11    d: 7.73 +/- 0.07, weight: 0.4
      ASN50    H -   LEU48 HD12
      ASN50    H -   LEU48 HD13

ref_spec: eng, ref_peak: 219, id: 218, d: 6.61, u: 5.68, u_viol: 0.93, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      LEU48 HD11 -   ALA43    H    d: 9.67 +/- 0.12, weight: 0.1
      LEU48 HD12 -   ALA43    H
      LEU48 HD13 -   ALA43    H

      LEU48 HD11 -   ARG24    H    d: 7.42 +/- 0.36, weight: 0.4
      LEU48 HD12 -   ARG24    H
      LEU48 HD13 -   ARG24    H

      LEU48 HD11 -   ARG24    H    d: 7.42 +/- 0.36, weight: 0.4
      LEU48 HD12 -   ARG24    H
      LEU48 HD13 -   ARG24    H

ref_spec: eng, ref_peak: 266, id: 265, d: 7.05, u: 5.57, u_viol: 1.48, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      TRP21  HD1 -   ILE44 HD11    d: 7.53 +/- 0.26, weight: 0.5
      TRP21  HD1 -   ILE44 HD12
      TRP21  HD1 -   ILE44 HD13

      TRP21  HD1 -   ILE44 HD11    d: 7.53 +/- 0.26, weight: 0.5
      TRP21  HD1 -   ILE44 HD12
      TRP21  HD1 -   ILE44 HD13

ref_spec: eng, ref_peak: 319, id: 318, d: 6.32, u: 4.66, u_viol: 1.66, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      TYR47  HE1 -   ILE44    H    d: 8.98 +/- 0.16, weight: 0.1
      TYR47  HE2 -   ILE44    H

      TYR47  HE1 -   LYS32    H    d: 9.59 +/- 0.32, weight: 0.1
      TYR47  HE2 -   LYS32    H

      TYR47  HE1 -   ILE44    H    d: 7.66 +/- 0.20, weight: 0.3
      TYR47  HE2 -   ILE44    H

      TYR47  HE1 -   ILE44    H    d: 7.66 +/- 0.19, weight: 0.3
      TYR47  HE2 -   ILE44    H

      TYR47  HE1 -   ILE44    H    d: 8.98 +/- 0.16, weight: 0.1
      TYR47  HE2 -   ILE44    H

ref_spec: eng, ref_peak: 391, id: 390, d: 2.26, u: 4.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41   HA -   TRP21  HZ3    d: 2.04 +/- 0.06, weight: 0.5

      ARG41   HA -   TRP21  HZ3    d: 2.04 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 392, id: 391, d: 6.56, u: 4.71, u_viol: 1.84, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      ARG41   HA -   TRP21  HB2    d: 6.93 +/- 0.18, weight: 0.5

      ARG41   HA -   TRP21  HB2    d: 6.89 +/- 0.20, weight: 0.5

ref_spec: eng, ref_peak: 605, id: 604, d: 6.23, u: 3.90, u_viol: 2.33, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      CYS40  HB2 -   LEU36 HD11    d: 7.13 +/- 0.64, weight: 0.4
      CYS40  HB2 -   LEU36 HD12
      CYS40  HB2 -   LEU36 HD13

      CYS40  HB2 -   LEU36 HD11    d: 9.20 +/- 0.66, weight: 0.1
      CYS40  HB2 -   LEU36 HD12
      CYS40  HB2 -   LEU36 HD13

      CYS40  HB2 -   LEU36 HD11    d: 7.20 +/- 0.61, weight: 0.4
      CYS40  HB2 -   LEU36 HD12
      CYS40  HB2 -   LEU36 HD13

ref_spec: eng, ref_peak: 740, id: 739, d: 7.10, u: 3.10, u_viol: 4.00, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      ILE44 HG13 -   TRP21   HA    d: 7.53 +/- 0.29, weight: 0.4

      ILE44 HG13 -   TRP21   HA    d: 7.50 +/- 0.33, weight: 0.5

ref_spec: eng, ref_peak: 817, id: 816, d: 1.71, u: 3.63, u_viol: 0.00, %_viol: 75.0, viol: yes, reliable: no, a_type: A
      ILE44 HG12 -   ILE44    H    d: 1.87 +/- 0.24, weight: 0.5

      ILE44 HG12 -   ILE44    H    d: 1.85 +/- 0.09, weight: 0.5

ref_spec: eng, ref_peak: 868, id: 867, d: 5.88, u: 3.97, u_viol: 1.91, %_viol: 100.0, viol: no, reliable: no, a_type: A
      LEU13 HD21 -   GLY14  HA2    d: 7.69 +/- 0.38, weight: 0.2
      LEU13 HD22 -   GLY14  HA2
      LEU13 HD23 -   GLY14  HA2

      LEU13 HD21 -   GLY14  HA2    d: 7.68 +/- 0.17, weight: 0.3
      LEU13 HD22 -   GLY14  HA2
      LEU13 HD23 -   GLY14  HA2

      LEU13 HD21 -   GLY14  HA2    d: 7.66 +/- 0.19, weight: 0.3
      LEU13 HD22 -   GLY14  HA2
      LEU13 HD23 -   GLY14  HA2

      LEU13 HD21 -   GLY14  HA2    d: 7.71 +/- 0.36, weight: 0.2
      LEU13 HD22 -   GLY14  HA2
      LEU13 HD23 -   GLY14  HA2

ref_spec: eng, ref_peak: 890, id: 889, d: 6.41, u: 4.57, u_viol: 1.84, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      TRP21  HH2 -   LEU36 HD11    d: 9.90 +/- 0.64, weight: 0.1
      TRP21  HH2 -   LEU36 HD12
      TRP21  HH2 -   LEU36 HD13

      TRP21  HH2 -   LEU48 HD21    d: 8.86 +/- 0.34, weight: 0.1
      TRP21  HH2 -   LEU48 HD22
      TRP21  HH2 -   LEU48 HD23

      TRP21    H -   LEU36 HD11    d: 8.44 +/- 0.65, weight: 0.2
      TRP21    H -   LEU36 HD12
      TRP21    H -   LEU36 HD13

      TRP21    H -   LEU48 HD21    d: 9.30 +/- 0.33, weight: 0.1
      TRP21    H -   LEU48 HD22
      TRP21    H -   LEU48 HD23

      TRP21  HH2 -   LEU48 HD21    d: 8.86 +/- 0.34, weight: 0.1
      TRP21  HH2 -   LEU48 HD22
      TRP21  HH2 -   LEU48 HD23

      TRP21  HH2 -   LEU36 HD11    d: 9.90 +/- 0.64, weight: 0.1
      TRP21  HH2 -   LEU36 HD12
      TRP21  HH2 -   LEU36 HD13

      TRP21    H -   LEU48 HD21    d: 9.30 +/- 0.32, weight: 0.1
      TRP21    H -   LEU48 HD22
      TRP21    H -   LEU48 HD23

      TRP21    H -   LEU36 HD11    d: 8.44 +/- 0.65, weight: 0.2
      TRP21    H -   LEU36 HD12
      TRP21    H -   LEU36 HD13

ref_spec: eng, ref_peak: 909, id: 908, d: 6.72, u: 4.48, u_viol: 2.42, %_viol: 95.0, viol: yes, reliable: no, a_type: A
      ILE11 HD11 -   GLN19 HE21    d: 7.57 +/- 0.44, weight: 0.5
      ILE11 HD12 -   GLN19 HE21
      ILE11 HD13 -   GLN19 HE21

      ILE11 HD11 -   GLN19 HE21    d: 7.59 +/- 0.39, weight: 0.5
      ILE11 HD12 -   GLN19 HE21
      ILE11 HD13 -   GLN19 HE21

ref_spec: eng, ref_peak: 921, id: 920, d: 5.70, u: 4.89, u_viol: 0.81, %_viol: 100.0, viol: no, reliable: no, a_type: A
      LEU48 HD11 -   TYR47  HD1    d: 6.93 +/- 0.16, weight: 0.5
      LEU48 HD11 -   TYR47  HD2
      LEU48 HD12 -   TYR47  HD1
      LEU48 HD12 -   TYR47  HD2
      LEU48 HD13 -   TYR47  HD1
      LEU48 HD13 -   TYR47  HD2

      LEU48 HD11 -   TYR47  HD1    d: 6.93 +/- 0.16, weight: 0.5
      LEU48 HD11 -   TYR47  HD2
      LEU48 HD12 -   TYR47  HD1
      LEU48 HD12 -   TYR47  HD2
      LEU48 HD13 -   TYR47  HD1
      LEU48 HD13 -   TYR47  HD2

ref_spec: eng, ref_peak: 924, id: 923, d: 6.06, u: 3.79, u_viol: 2.27, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      LEU48 HD11 -   ARG24  HG2    d: 6.99 +/- 0.50, weight: 0.5
      LEU48 HD11 -   ARG24  HG3
      LEU48 HD12 -   ARG24  HG2
      LEU48 HD12 -   ARG24  HG3
      LEU48 HD13 -   ARG24  HG2
      LEU48 HD13 -   ARG24  HG3

      LEU48 HD11 -   ARG24  HG2    d: 6.99 +/- 0.50, weight: 0.5
      LEU48 HD11 -   ARG24  HG3
      LEU48 HD12 -   ARG24  HG2
      LEU48 HD12 -   ARG24  HG3
      LEU48 HD13 -   ARG24  HG2
      LEU48 HD13 -   ARG24  HG3

ref_spec: eng, ref_peak: 925, id: 924, d: 8.75, u: 5.40, u_viol: 3.35, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      LEU48 HD11 -   VAL39 HG21    d: 9.83 +/- 0.23, weight: 0.5
      LEU48 HD11 -   VAL39 HG22
      LEU48 HD11 -   VAL39 HG23
      LEU48 HD12 -   VAL39 HG21
      LEU48 HD12 -   VAL39 HG22
      LEU48 HD12 -   VAL39 HG23
      LEU48 HD13 -   VAL39 HG21
      LEU48 HD13 -   VAL39 HG22
      LEU48 HD13 -   VAL39 HG23

      LEU48 HD11 -   VAL39 HG21    d: 9.84 +/- 0.23, weight: 0.5
      LEU48 HD11 -   VAL39 HG22
      LEU48 HD11 -   VAL39 HG23
      LEU48 HD12 -   VAL39 HG21
      LEU48 HD12 -   VAL39 HG22
      LEU48 HD12 -   VAL39 HG23
      LEU48 HD13 -   VAL39 HG21
      LEU48 HD13 -   VAL39 HG22
      LEU48 HD13 -   VAL39 HG23

ref_spec: eng, ref_peak: 926, id: 925, d: 6.35, u: 2.31, u_viol: 4.03, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      LEU48 HD11 -   ILE44 HD11    d: 7.08 +/- 0.21, weight: 0.5
      LEU48 HD11 -   ILE44 HD12
      LEU48 HD11 -   ILE44 HD13
      LEU48 HD12 -   ILE44 HD11
      LEU48 HD12 -   ILE44 HD12
      LEU48 HD12 -   ILE44 HD13
      LEU48 HD13 -   ILE44 HD11
      LEU48 HD13 -   ILE44 HD12
      LEU48 HD13 -   ILE44 HD13

      LEU48 HD11 -   ILE44 HD11    d: 7.08 +/- 0.21, weight: 0.5
      LEU48 HD11 -   ILE44 HD12
      LEU48 HD11 -   ILE44 HD13
      LEU48 HD12 -   ILE44 HD11
      LEU48 HD12 -   ILE44 HD12
      LEU48 HD12 -   ILE44 HD13
      LEU48 HD13 -   ILE44 HD11
      LEU48 HD13 -   ILE44 HD12
      LEU48 HD13 -   ILE44 HD13


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