# created by  ASDP Version 1.0 Copyright(C) 2010


# Missing interactons for n.peaks

atom:    27   4V-H    N   8.38  ambi=1 { N:125.5 }
atom:    16   3I-HG12 G1  1.16  ambi=2 { CG1:27.2 }
::
atom:    27   4V-H    N   8.38  ambi=1 { N:125.5 }
atom:    17   3I-HG13 G1  1.46  ambi=2 { CG1:27.2 }
::sumAvg: 3.57

atom:    13   3I-H    N   8.63  ambi=1 { N:120.7 }
atom:     1   2P-HA   A   4.4   ambi=1 { CA:62.2 }
::sumAvg: 2.81

atom:    13   3I-H    N   8.63  ambi=1 { N:120.7 }
atom:     6   2P-QD   D   3.37  ambi=2 { CD:49.3 }
::sumAvg: 3.845

atom:    13   3I-H    N   8.63  ambi=1 { N:120.7 }
atom:    19   3I-HD1  D1  0.83  ambi=1 { CD1:12.8 }
::sumAvg: 3.96

atom:    38   5S-H    N   8.45  ambi=1 { N:120.5 }
atom:    14   3I-HA   A   4.19  ambi=1 { CA:61.5 }
::sumAvg: 4.96

atom:    27   4V-H    N   8.38  ambi=1 { N:125.5 }
atom:    19   3I-HD1  D1  0.83  ambi=1 { CD1:12.8 }
::sumAvg: 4.74

atom:    46   6K-H    N   8.33  ambi=1 { N:123.4 }
atom:    30   4V-HG1  G1  0.93  ambi=2 { CG1:22.6 }
::
atom:    46   6K-H    N   8.33  ambi=1 { N:123.4 }
atom:    31   4V-HG2  G2  0.91  ambi=2 { CG2:20.5 }
::sumAvg: 3.785

atom:    46   6K-H    N   8.33  ambi=1 { N:123.4 }
atom:    64   7Y-HA   A   4.64  ambi=1 { CA:56.7 }
::sumAvg: 4.87

atom:    46   6K-H    N   8.33  ambi=1 { N:123.4 }
atom:    67   7Y-QD   D   7.02  ambi=3 { CD1:133.1 }
::sumAvg: 4.105

atom:    63   7Y-H    N   8.15  ambi=1 { N:120 }
atom:    69   7Y-QE   E   6.77  ambi=3 { CE1:118 }
::sumAvg: 4.505

atom:   118  11R-HE   E   7.45  ambi=1 { NE:84.6 }
atom:    67   7Y-QD   D   7.02  ambi=3 { CD1:133.1 }
::sumAvg: 4.9

atom:    91   9N-HD21 D2  7.73  ambi=1 { ND2:113.4 }
atom:    99  10E-H    N   8.74  ambi=1 { N:119 }
::sumAvg: 4.665

atom:    79   8S-H    N   8.36  ambi=1 { N:118.1 }
atom:   110  11R-H    N   7.75  ambi=1 { N:121.5 }
::sumAvg: 3.885

atom:   110  11R-H    N   7.75  ambi=1 { N:121.5 }
atom:    79   8S-H    N   8.36  ambi=1 { N:118.1 }
::sumAvg: 3.885

atom:   110  11R-H    N   7.75  ambi=1 { N:121.5 }
atom:    81   8S-HB2  B   3.94  ambi=2 { CB:64 }
::
atom:   110  11R-H    N   7.75  ambi=1 { N:121.5 }
atom:    82   8S-HB3  B   4.15  ambi=2 { CB:64 }
::sumAvg: 3.095

atom:    91   9N-HD21 D2  7.73  ambi=1 { ND2:113.4 }
atom:    87   9N-H    N   8.9   ambi=1 { N:122.3 }
::sumAvg: 4.365

atom:    87   9N-H    N   8.9   ambi=1 { N:122.3 }
atom:   126  12V-H    N   7.83  ambi=1 { N:118.8 }
::sumAvg: 4.76

atom:   126  12V-H    N   7.83  ambi=1 { N:118.8 }
atom:    87   9N-H    N   8.9   ambi=1 { N:122.3 }
::sumAvg: 4.76

atom:   110  11R-H    N   7.75  ambi=1 { N:121.5 }
atom:    89   9N-QB   B   2.79  ambi=2 { CB:38.3 }
::sumAvg: 4.82

atom:   137  13E-H    N   8.22  ambi=1 { N:116.8 }
atom:    89   9N-QB   B   2.79  ambi=2 { CB:38.3 }
::sumAvg: 4.565

atom:    99  10E-H    N   8.74  ambi=1 { N:119 }
atom:   126  12V-H    N   7.83  ambi=1 { N:118.8 }
::sumAvg: 4.095

atom:   126  12V-H    N   7.83  ambi=1 { N:118.8 }
atom:   100  10E-HA   A   4     ambi=1 { CA:59.9 }
::sumAvg: 4.51

atom:   179  16I-H    N   8.08  ambi=1 { N:117.9 }
atom:   127  12V-HA   A   3.42  ambi=1 { CA:67 }
::sumAvg: 4.185

atom:   137  13E-H    N   8.22  ambi=1 { N:116.8 }
atom:   128  12V-HB   B   2.09  ambi=1 { CB:32.1 }
::sumAvg: 2.55

atom:   148  14K-H    N   7.6   ambi=1 { N:120.4 }
atom:   128  12V-HB   B   2.09  ambi=1 { CB:32.1 }
::sumAvg: 4.99

atom:   110  11R-H    N   7.75  ambi=1 { N:121.5 }
atom:   128  12V-HB   B   2.09  ambi=1 { CB:32.1 }
::sumAvg: 4.75

atom:   110  11R-H    N   7.75  ambi=1 { N:121.5 }
atom:   137  13E-H    N   8.22  ambi=1 { N:116.8 }
::sumAvg: 4.185

atom:   137  13E-H    N   8.22  ambi=1 { N:116.8 }
atom:   110  11R-H    N   7.75  ambi=1 { N:121.5 }
::sumAvg: 4.185

atom:   137  13E-H    N   8.22  ambi=1 { N:116.8 }
atom:   111  11R-HA   A   4.07  ambi=1 { CA:58.8 }
::sumAvg: 4.57

atom:   118  11R-HE   E   7.45  ambi=1 { NE:84.6 }
atom:   112  11R-QB   B   1.95  ambi=2 { CB:30.1 }
::sumAvg: 3.515

atom:   126  12V-H    N   7.83  ambi=1 { N:118.8 }
atom:   112  11R-QB   B   1.95  ambi=2 { CB:30.1 }
::sumAvg: 2.55

atom:   137  13E-H    N   8.22  ambi=1 { N:116.8 }
atom:   112  11R-QB   B   1.95  ambi=2 { CB:30.1 }
::sumAvg: 4.825

atom:   148  14K-H    N   7.6   ambi=1 { N:120.4 }
atom:   112  11R-QB   B   1.95  ambi=2 { CB:30.1 }
::sumAvg: 4.98

atom:   118  11R-HE   E   7.45  ambi=1 { NE:84.6 }
atom:   114  11R-HG2  G   1.52  ambi=2 { CG:27 }
::
atom:   118  11R-HE   E   7.45  ambi=1 { NE:84.6 }
atom:   115  11R-HG3  G   1.72  ambi=2 { CG:27 }
::sumAvg: 2.665

atom:   165  15I-H    N   7.83  ambi=1 { N:119.7 }
atom:   114  11R-HG2  G   1.52  ambi=2 { CG:27 }
::
atom:   165  15I-H    N   7.83  ambi=1 { N:119.7 }
atom:   115  11R-HG3  G   1.72  ambi=2 { CG:27 }
::sumAvg: 4.6

atom:   118  11R-HE   E   7.45  ambi=1 { NE:84.6 }
atom:   116  11R-HD2  D   3.08  ambi=2 { CD:43.5 }
::
atom:   118  11R-HE   E   7.45  ambi=1 { NE:84.6 }
atom:   117  11R-HD3  D   3.23  ambi=2 { CD:43.5 }
::sumAvg: 2.58

atom:   118  11R-HE   E   7.45  ambi=1 { NE:84.6 }
atom:   171  15I-HD1  D1  0.74  ambi=1 { CD1:14.3 }
::sumAvg: 3.55

atom:   126  12V-H    N   7.83  ambi=1 { N:118.8 }
atom:   139  13E-QB   B   2     ambi=2 { CB:29 }
::sumAvg: 4.47

atom:   126  12V-H    N   7.83  ambi=1 { N:118.8 }
atom:   168  15I-HG12 G1  0.82  ambi=2 { CG1:29.2 }
::
atom:   126  12V-H    N   7.83  ambi=1 { N:118.8 }
atom:   169  15I-HG13 G1  1.97  ambi=2 { CG1:29.2 }
::sumAvg: 4.955

atom:   148  14K-H    N   7.6   ambi=1 { N:120.4 }
atom:   130  12V-HG2  G2  0.96  ambi=2 { CG2:23.5 }
::
atom:   148  14K-H    N   7.6   ambi=1 { N:120.4 }
atom:   129  12V-HG1  G1  0.9   ambi=2 { CG1:21.6 }
::sumAvg: 4.81

atom:   179  16I-H    N   8.08  ambi=1 { N:117.9 }
atom:   130  12V-HG2  G2  0.96  ambi=2 { CG2:23.5 }
::
atom:   179  16I-H    N   8.08  ambi=1 { N:117.9 }
atom:   129  12V-HG1  G1  0.9   ambi=2 { CG1:21.6 }
::sumAvg: 4.03

atom:   243  21D-H    N   9     ambi=1 { N:120 }
atom:   209  18D-HB2  B   2.53  ambi=2 { CB:39.9 }
::
atom:   243  21D-H    N   9     ambi=1 { N:120 }
atom:   210  18D-HB3  B   3.05  ambi=2 { CB:39.9 }
::sumAvg: 4.985

atom:   251  22V-H    N   7.37  ambi=1 { N:119.8 }
atom:   209  18D-HB2  B   2.53  ambi=2 { CB:39.9 }
::
atom:   251  22V-H    N   7.37  ambi=1 { N:119.8 }
atom:   210  18D-HB3  B   3.05  ambi=2 { CB:39.9 }
::sumAvg: 4.995

atom:   137  13E-H    N   8.22  ambi=1 { N:116.8 }
atom:   185  16I-HD1  D1  0.83  ambi=1 { CD1:15.8 }
::sumAvg: 4.295

atom:   148  14K-H    N   7.6   ambi=1 { N:120.4 }
atom:   138  13E-HA   A   3.89  ambi=1 { CA:59.5 }
::sumAvg: 3.52

atom:   179  16I-H    N   8.08  ambi=1 { N:117.9 }
atom:   138  13E-HA   A   3.89  ambi=1 { CA:59.5 }
::sumAvg: 3.535

atom:   193  17Q-H    N   8.01  ambi=1 { N:117.9 }
atom:   139  13E-QB   B   2     ambi=2 { CB:29 }
::sumAvg: 4.865

atom:   148  14K-H    N   7.6   ambi=1 { N:120.4 }
atom:   154  14K-HD2  D   1.57  ambi=2 { CD:28.9 }
::
atom:   148  14K-H    N   7.6   ambi=1 { N:120.4 }
atom:   155  14K-HD3  D   1.7   ambi=2 { CD:28.9 }
::sumAvg: 4.875

atom:   148  14K-H    N   7.6   ambi=1 { N:120.4 }
atom:   193  17Q-H    N   8.01  ambi=1 { N:117.9 }
::sumAvg: 4.725

atom:   148  14K-H    N   7.6   ambi=1 { N:120.4 }
atom:   195  17Q-QB   B   2.17  ambi=2 { CB:28.1 }
::sumAvg: 4.815

atom:   179  16I-H    N   8.08  ambi=1 { N:117.9 }
atom:   149  14K-HA   A   4.03  ambi=1 { CA:59.1 }
::sumAvg: 4.48

atom:   179  16I-H    N   8.08  ambi=1 { N:117.9 }
atom:   150  14K-HB2  B   1.9   ambi=2 { CB:32.1 }
::
atom:   179  16I-H    N   8.08  ambi=1 { N:117.9 }
atom:   151  14K-HB3  B   2.03  ambi=2 { CB:32.1 }
::sumAvg: 4.895

atom:   165  15I-H    N   7.83  ambi=1 { N:119.7 }
atom:   154  14K-HD2  D   1.57  ambi=2 { CD:28.9 }
::
atom:   165  15I-H    N   7.83  ambi=1 { N:119.7 }
atom:   155  14K-HD3  D   1.7   ambi=2 { CD:28.9 }
::sumAvg: 4.65

atom:   165  15I-H    N   7.83  ambi=1 { N:119.7 }
atom:   181  16I-HB   B   1.79  ambi=1 { CB:38.3 }
::sumAvg: 4.79

atom:   165  15I-H    N   7.83  ambi=1 { N:119.7 }
atom:   182  16I-HG12 G1  1.14  ambi=2 { CG1:29.6 }
::
atom:   165  15I-H    N   7.83  ambi=1 { N:119.7 }
atom:   183  16I-HG13 G1  1.88  ambi=2 { CG1:29.6 }
::sumAvg: 4.5

atom:   165  15I-H    N   7.83  ambi=1 { N:119.7 }
atom:   195  17Q-QB   B   2.17  ambi=2 { CB:28.1 }
::sumAvg: 4.94

atom:   179  16I-H    N   8.08  ambi=1 { N:117.9 }
atom:   166  15I-HA   A   3.63  ambi=1 { CA:65.7 }
::sumAvg: 3.52

atom:   193  17Q-H    N   8.01  ambi=1 { N:117.9 }
atom:   166  15I-HA   A   3.63  ambi=1 { CA:65.7 }
::sumAvg: 4.52

atom:   179  16I-H    N   8.08  ambi=1 { N:117.9 }
atom:   170  15I-HG2  G2  0.77  ambi=1 { CG2:18.4 }
::sumAvg: 3.605

atom:   179  16I-H    N   8.08  ambi=1 { N:117.9 }
atom:   171  15I-HD1  D1  0.74  ambi=1 { CD1:14.3 }
::sumAvg: 4.355

atom:   179  16I-H    N   8.08  ambi=1 { N:117.9 }
atom:   184  16I-HG2  G2  0.76  ambi=1 { CG2:17 }
::sumAvg: 3.75

atom:   179  16I-H    N   8.08  ambi=1 { N:117.9 }
atom:   207  18D-H    N   8.71  ambi=1 { N:121 }
::sumAvg: 4.045

atom:   207  18D-H    N   8.71  ambi=1 { N:121 }
atom:   179  16I-H    N   8.08  ambi=1 { N:117.9 }
::sumAvg: 4.045

atom:   193  17Q-H    N   8.01  ambi=1 { N:117.9 }
atom:   180  16I-HA   A   3.36  ambi=1 { CA:66.6 }
::sumAvg: 3.535

atom:   207  18D-H    N   8.71  ambi=1 { N:121 }
atom:   180  16I-HA   A   3.36  ambi=1 { CA:66.6 }
::sumAvg: 4.47

atom:   193  17Q-H    N   8.01  ambi=1 { N:117.9 }
atom:   209  18D-HB2  B   2.53  ambi=2 { CB:39.9 }
::
atom:   193  17Q-H    N   8.01  ambi=1 { N:117.9 }
atom:   210  18D-HB3  B   3.05  ambi=2 { CB:39.9 }
::sumAvg: 4.87

atom:   207  18D-H    N   8.71  ambi=1 { N:121 }
atom:   194  17Q-HA   A   3.83  ambi=1 { CA:58.4 }
::sumAvg: 3.54

atom:   215  19L-H    N   8.26  ambi=1 { N:120.8 }
atom:   194  17Q-HA   A   3.83  ambi=1 { CA:58.4 }
::sumAvg: 4.49

atom:   229  20L-H    N   8.16  ambi=1 { N:117.3 }
atom:   194  17Q-HA   A   3.83  ambi=1 { CA:58.4 }
::sumAvg: 3.415

atom:   215  19L-H    N   8.26  ambi=1 { N:120.8 }
atom:   195  17Q-QB   B   2.17  ambi=2 { CB:28.1 }
::sumAvg: 4.745

atom:   229  20L-H    N   8.16  ambi=1 { N:117.3 }
atom:   195  17Q-QB   B   2.17  ambi=2 { CB:28.1 }
::sumAvg: 4.935

atom:   207  18D-H    N   8.71  ambi=1 { N:121 }
atom:   197  17Q-HG2  G   2.39  ambi=2 { CG:33.9 }
::
atom:   207  18D-H    N   8.71  ambi=1 { N:121 }
atom:   198  17Q-HG3  G   2.45  ambi=2 { CG:33.9 }
::sumAvg: 3.59

atom:   229  20L-H    N   8.16  ambi=1 { N:117.3 }
atom:   197  17Q-HG2  G   2.39  ambi=2 { CG:33.9 }
::
atom:   229  20L-H    N   8.16  ambi=1 { N:117.3 }
atom:   198  17Q-HG3  G   2.45  ambi=2 { CG:33.9 }
::sumAvg: 4.98

atom:   199  17Q-HE21 E2  7.81  ambi=1 { NE2:115.5 }
atom:   245  21D-HB2  B   2.92  ambi=2 { CB:40.5 }
::
atom:   199  17Q-HE21 E2  7.81  ambi=1 { NE2:115.5 }
atom:   246  21D-HB3  B   2.6   ambi=2 { CB:40.5 }
::sumAvg: 4.615

atom:   199  17Q-HE21 E2  7.81  ambi=1 { NE2:115.5 }
atom:   279  24V-HG1  G1  0.93  ambi=2 { CG1:21.1 }
::
atom:   199  17Q-HE21 E2  7.81  ambi=1 { NE2:115.5 }
atom:   280  24V-HG2  G2  1.05  ambi=2 { CG2:22.7 }
::
atom:   200  17Q-HE22 E2  6.84  ambi=1 { NE2:115.5 }
atom:   279  24V-HG1  G1  0.93  ambi=2 { CG1:21.1 }
::
atom:   200  17Q-HE22 E2  6.84  ambi=1 { NE2:115.5 }
atom:   280  24V-HG2  G2  1.05  ambi=2 { CG2:22.7 }
::sumAvg: 4.56

atom:   207  18D-H    N   8.71  ambi=1 { N:121 }
atom:   217  19L-HB2  B   1     ambi=2 { CB:42.4 }
::
atom:   207  18D-H    N   8.71  ambi=1 { N:121 }
atom:   218  19L-HB3  B   2.33  ambi=2 { CB:42.4 }
::sumAvg: 4.535

atom:   207  18D-H    N   8.71  ambi=1 { N:121 }
atom:   219  19L-HG   G   2.1   ambi=1 { CG:26.1 }
::sumAvg: 4.545

atom:   207  18D-H    N   8.71  ambi=1 { N:121 }
atom:   229  20L-H    N   8.16  ambi=1 { N:117.3 }
::sumAvg: 4.1

atom:   207  18D-H    N   8.71  ambi=1 { N:121 }
atom:   245  21D-HB2  B   2.92  ambi=2 { CB:40.5 }
::
atom:   207  18D-H    N   8.71  ambi=1 { N:121 }
atom:   246  21D-HB3  B   2.6   ambi=2 { CB:40.5 }
::sumAvg: 4.905

atom:   215  19L-H    N   8.26  ambi=1 { N:120.8 }
atom:   231  20L-HB2  B   1.4   ambi=2 { CB:40.8 }
::
atom:   215  19L-H    N   8.26  ambi=1 { N:120.8 }
atom:   232  20L-HB3  B   1.92  ambi=2 { CB:40.8 }
::sumAvg: 4.66

atom:   243  21D-H    N   9     ambi=1 { N:120 }
atom:   215  19L-H    N   8.26  ambi=1 { N:120.8 }
::sumAvg: 3.9

atom:   215  19L-H    N   8.26  ambi=1 { N:120.8 }
atom:   245  21D-HB2  B   2.92  ambi=2 { CB:40.5 }
::
atom:   215  19L-H    N   8.26  ambi=1 { N:120.8 }
atom:   246  21D-HB3  B   2.6   ambi=2 { CB:40.5 }
::sumAvg: 4.87

atom:   251  22V-H    N   7.37  ambi=1 { N:119.8 }
atom:   215  19L-H    N   8.26  ambi=1 { N:120.8 }
::sumAvg: 4.805

atom:   229  20L-H    N   8.16  ambi=1 { N:117.3 }
atom:   216  19L-HA   A   4.01  ambi=1 { CA:58.1 }
::sumAvg: 3.54

atom:   243  21D-H    N   9     ambi=1 { N:120 }
atom:   216  19L-HA   A   4.01  ambi=1 { CA:58.1 }
::sumAvg: 4.225

atom:   262  23L-H    N   6.88  ambi=1 { N:116.5 }
atom:   216  19L-HA   A   4.01  ambi=1 { CA:58.1 }
::sumAvg: 4.565

atom:   243  21D-H    N   9     ambi=1 { N:120 }
atom:   217  19L-HB2  B   1     ambi=2 { CB:42.4 }
::
atom:   243  21D-H    N   9     ambi=1 { N:120 }
atom:   218  19L-HB3  B   2.33  ambi=2 { CB:42.4 }
::sumAvg: 4.66

atom:   229  20L-H    N   8.16  ambi=1 { N:117.3 }
atom:   219  19L-HG   G   2.1   ambi=1 { CG:26.1 }
::sumAvg: 4.405

atom:   262  23L-H    N   6.88  ambi=1 { N:116.5 }
atom:   229  20L-H    N   8.16  ambi=1 { N:117.3 }
::sumAvg: 4.855

atom:   251  22V-H    N   7.37  ambi=1 { N:119.8 }
atom:   230  20L-HA   A   3.94  ambi=1 { CA:57.9 }
::sumAvg: 4.275

atom:   262  23L-H    N   6.88  ambi=1 { N:116.5 }
atom:   230  20L-HA   A   3.94  ambi=1 { CA:57.9 }
::sumAvg: 3.235

atom:   276  24V-H    N   8.43  ambi=1 { N:120.3 }
atom:   230  20L-HA   A   3.94  ambi=1 { CA:57.9 }
::sumAvg: 3.98

atom:   243  21D-H    N   9     ambi=1 { N:120 }
atom:   233  20L-HG   G   1.84  ambi=1 { CG:26.8 }
::sumAvg: 4.47

atom:   276  24V-H    N   8.43  ambi=1 { N:120.3 }
atom:   243  21D-H    N   9     ambi=1 { N:120 }
::sumAvg: 4.635

atom:   276  24V-H    N   8.43  ambi=1 { N:120.3 }
atom:   252  22V-HA   A   3.6   ambi=1 { CA:66.3 }
::sumAvg: 4.52

atom:   276  24V-H    N   8.43  ambi=1 { N:120.3 }
atom:   263  23L-HA   A   3.88  ambi=1 { CA:57.1 }
::sumAvg: 3.53

atom:   287  25K-H    N   8.38  ambi=1 { N:121.9 }
atom:   263  23L-HA   A   3.88  ambi=1 { CA:57.1 }
::sumAvg: 4.52

atom:   315  27E-H    N   7.98  ambi=1 { N:116.3 }
atom:   263  23L-HA   A   3.88  ambi=1 { CA:57.1 }
::sumAvg: 4.93

atom:   326  28V-H    N   7.37  ambi=1 { N:112.2 }
atom:   263  23L-HA   A   3.88  ambi=1 { CA:57.1 }
::sumAvg: 4.03

atom:   276  24V-H    N   8.43  ambi=1 { N:120.3 }
atom:   266  23L-HG   G   1.97  ambi=1 { CG:26.1 }
::sumAvg: 4.37

atom:   413  36C-H    N   8.42  ambi=1 { N:118.6 }
atom:   267  23L-HD1  D1  0.77  ambi=2 { CD1:22.6 }
::
atom:   413  36C-H    N   8.42  ambi=1 { N:118.6 }
atom:   268  23L-HD2  D2  0.87  ambi=2 { CD2:26.1 }
::sumAvg: 4.79

atom:   276  24V-H    N   8.43  ambi=1 { N:120.3 }
atom:   278  24V-HB   B   2.11  ambi=1 { CB:32.2 }
::sumAvg: 2.4

atom:   276  24V-H    N   8.43  ambi=1 { N:120.3 }
atom:   289  25K-QB   B   1.92  ambi=2 { CB:32.3 }
::sumAvg: 4.385

atom:   304  26E-H    N   7.36  ambi=1 { N:115 }
atom:   276  24V-H    N   8.43  ambi=1 { N:120.3 }
::sumAvg: 4.115

atom:   276  24V-H    N   8.43  ambi=1 { N:120.3 }
atom:   315  27E-H    N   7.98  ambi=1 { N:116.3 }
::sumAvg: 4.85

atom:   315  27E-H    N   7.98  ambi=1 { N:116.3 }
atom:   276  24V-H    N   8.43  ambi=1 { N:120.3 }
::sumAvg: 4.85

atom:   304  26E-H    N   7.36  ambi=1 { N:115 }
atom:   277  24V-HA   A   3.78  ambi=1 { CA:65.9 }
::sumAvg: 4.125

atom:   315  27E-H    N   7.98  ambi=1 { N:116.3 }
atom:   277  24V-HA   A   3.78  ambi=1 { CA:65.9 }
::sumAvg: 3.32

atom:   287  25K-H    N   8.38  ambi=1 { N:121.9 }
atom:   293  25K-QD   D   1.65  ambi=2 { CD:29.2 }
::sumAvg: 4.07

atom:   287  25K-H    N   8.38  ambi=1 { N:121.9 }
atom:   306  26E-HB2  B   1.79  ambi=2 { CB:29.8 }
::
atom:   287  25K-H    N   8.38  ambi=1 { N:121.9 }
atom:   307  26E-HB3  B   2.3   ambi=2 { CB:29.8 }
::sumAvg: 4.955

atom:   315  27E-H    N   7.98  ambi=1 { N:116.3 }
atom:   288  25K-HA   A   4.03  ambi=1 { CA:59.4 }
::sumAvg: 3.85

atom:   304  26E-H    N   7.36  ambi=1 { N:115 }
atom:   293  25K-QD   D   1.65  ambi=2 { CD:29.2 }
::sumAvg: 4.81

atom:   304  26E-H    N   7.36  ambi=1 { N:115 }
atom:   316  27E-HA   A   3.95  ambi=1 { CA:56.9 }
::sumAvg: 4.525

atom:   304  26E-H    N   7.36  ambi=1 { N:115 }
atom:   319  27E-QG   G   2.19  ambi=2 { CG:36.6 }
::sumAvg: 4.425

atom:   326  28V-H    N   7.37  ambi=1 { N:112.2 }
atom:   305  26E-HA   A   4.33  ambi=1 { CA:56 }
::sumAvg: 4.98

atom:   315  27E-H    N   7.98  ambi=1 { N:116.3 }
atom:   308  26E-HG2  G   2.3   ambi=2 { CG:35.4 }
::
atom:   315  27E-H    N   7.98  ambi=1 { N:116.3 }
atom:   309  26E-HG3  G   2.45  ambi=2 { CG:35.4 }
::sumAvg: 4.72

atom:   326  28V-H    N   7.37  ambi=1 { N:112.2 }
atom:   370  32L-HD1  D1  0.71  ambi=2 { CD1:24 }
::
atom:   326  28V-H    N   7.37  ambi=1 { N:112.2 }
atom:   371  32L-HD2  D2  0.62  ambi=2 { CD2:25.4 }
::sumAvg: 4.32

atom:   337  29T-H    N   7.4   ambi=1 { N:113.9 }
atom:   357  31D-H    N   8.39  ambi=1 { N:113.2 }
::sumAvg: 4.985

atom:   379  33A-H    N   8.93  ambi=1 { N:122.7 }
atom:   338  29T-HA   A   4.64  ambi=1 { CA:59.9 }
::sumAvg: 4.91

atom:   357  31D-H    N   8.39  ambi=1 { N:113.2 }
atom:   345  30P-HA   A   4.13  ambi=1 { CA:66.3 }
::sumAvg: 3.53

atom:   365  32L-H    N   7.46  ambi=1 { N:123 }
atom:   345  30P-HA   A   4.13  ambi=1 { CA:66.3 }
::sumAvg: 4.7

atom:   386  34L-H    N   8.42  ambi=1 { N:115.8 }
atom:   345  30P-HA   A   4.13  ambi=1 { CA:66.3 }
::sumAvg: 4.045

atom:   357  31D-H    N   8.39  ambi=1 { N:113.2 }
atom:   391  34L-HD1  D1  0.66  ambi=2 { CD1:25.6 }
::
atom:   357  31D-H    N   8.39  ambi=1 { N:113.2 }
atom:   392  34L-HD2  D2  0.53  ambi=2 { CD2:23.6 }
::sumAvg: 4.85

atom:   365  32L-H    N   7.46  ambi=1 { N:123 }
atom:   358  31D-HA   A   4.24  ambi=1 { CA:57 }
::sumAvg: 3.535

atom:   379  33A-H    N   8.93  ambi=1 { N:122.7 }
atom:   358  31D-HA   A   4.24  ambi=1 { CA:57 }
::sumAvg: 4.425

atom:   379  33A-H    N   8.93  ambi=1 { N:122.7 }
atom:   359  31D-HB2  B   2.55  ambi=2 { CB:40 }
::
atom:   379  33A-H    N   8.93  ambi=1 { N:122.7 }
atom:   360  31D-HB3  B   2.67  ambi=2 { CB:40 }
::sumAvg: 4.9

atom:   413  36C-H    N   8.42  ambi=1 { N:118.6 }
atom:   369  32L-HG   G   1.34  ambi=1 { CG:27 }
::sumAvg: 4.68

atom:   379  33A-H    N   8.93  ambi=1 { N:122.7 }
atom:   402  35M-QB   B   2.31  ambi=2 { CB:32.9 }
::sumAvg: 4.745

atom:   413  36C-H    N   8.42  ambi=1 { N:118.6 }
atom:   379  33A-H    N   8.93  ambi=1 { N:122.7 }
::sumAvg: 4.875

atom:   421  37L-H    N   9.02  ambi=1 { N:119.6 }
atom:   381  33A-HB   B   1.48  ambi=1 { CB:19.1 }
::sumAvg: 4.7

atom:   386  34L-H    N   8.42  ambi=1 { N:115.8 }
atom:   421  37L-H    N   9.02  ambi=1 { N:119.6 }
::sumAvg: 4.72

atom:   386  34L-H    N   8.42  ambi=1 { N:115.8 }
atom:   423  37L-HB2  B   1.31  ambi=2 { CB:42.2 }
::
atom:   386  34L-H    N   8.42  ambi=1 { N:115.8 }
atom:   424  37L-HB3  B   2.03  ambi=2 { CB:42.2 }
::sumAvg: 4.84

atom:   413  36C-H    N   8.42  ambi=1 { N:118.6 }
atom:   387  34L-HA   A   4.01  ambi=1 { CA:58.2 }
::sumAvg: 4.545

atom:   421  37L-H    N   9.02  ambi=1 { N:119.6 }
atom:   387  34L-HA   A   4.01  ambi=1 { CA:58.2 }
::sumAvg: 3.54

atom:   400  35M-H    N   7.73  ambi=1 { N:121.4 }
atom:   390  34L-HG   G   1.83  ambi=1 { CG:26.9 }
::sumAvg: 4.45

atom:   400  35M-H    N   7.73  ambi=1 { N:121.4 }
atom:   406  35M-HE   E   2.06  ambi=1 { CE:17.3 }
::sumAvg: 4.07

atom:   400  35M-H    N   7.73  ambi=1 { N:121.4 }
atom:   415  36C-HB2  B   2.42  ambi=2 { CB:27.2 }
::
atom:   400  35M-H    N   7.73  ambi=1 { N:121.4 }
atom:   416  36C-HB3  B   2.96  ambi=2 { CB:27.2 }
::sumAvg: 4.59

atom:   400  35M-H    N   7.73  ambi=1 { N:121.4 }
atom:   423  37L-HB2  B   1.31  ambi=2 { CB:42.2 }
::
atom:   400  35M-H    N   7.73  ambi=1 { N:121.4 }
atom:   424  37L-HB3  B   2.03  ambi=2 { CB:42.2 }
::sumAvg: 4.825

atom:   435  38G-H    N   8.94  ambi=1 { N:106.6 }
atom:   400  35M-H    N   7.73  ambi=1 { N:121.4 }
::sumAvg: 4.685

atom:   421  37L-H    N   9.02  ambi=1 { N:119.6 }
atom:   401  35M-HA   A   4.24  ambi=1 { CA:59.3 }
::sumAvg: 4.59

atom:   421  37L-H    N   9.02  ambi=1 { N:119.6 }
atom:   402  35M-QB   B   2.31  ambi=2 { CB:32.9 }
::sumAvg: 4.61

atom:   413  36C-H    N   8.42  ambi=1 { N:118.6 }
atom:   406  35M-HE   E   2.06  ambi=1 { CE:17.3 }
::sumAvg: 4.285

atom:   445  39N-QD2  D2  7.15  ambi=2 { ND2:111.8 }
atom:   406  35M-HE   E   2.06  ambi=1 { CE:17.3 }
::sumAvg: 4.73

atom:   413  36C-H    N   8.42  ambi=1 { N:118.6 }
atom:   423  37L-HB2  B   1.31  ambi=2 { CB:42.2 }
::
atom:   413  36C-H    N   8.42  ambi=1 { N:118.6 }
atom:   424  37L-HB3  B   2.03  ambi=2 { CB:42.2 }
::sumAvg: 4.425

atom:   413  36C-H    N   8.42  ambi=1 { N:118.6 }
atom:   425  37L-HG   G   1.73  ambi=1 { CG:27.7 }
::sumAvg: 4.62

atom:   413  36C-H    N   8.42  ambi=1 { N:118.6 }
atom:   435  38G-H    N   8.94  ambi=1 { N:106.6 }
::sumAvg: 4.2

atom:   413  36C-H    N   8.42  ambi=1 { N:118.6 }
atom:   441  39N-H    N   7.79  ambi=1 { N:120.9 }
::sumAvg: 4.905

atom:   441  39N-H    N   7.79  ambi=1 { N:120.9 }
atom:   421  37L-H    N   9.02  ambi=1 { N:119.6 }
::sumAvg: 4.185

atom:   421  37L-H    N   9.02  ambi=1 { N:119.6 }
atom:   455  40A-HB   B   1.47  ambi=1 { CB:17.2 }
::sumAvg: 4.625

atom:   421  37L-H    N   9.02  ambi=1 { N:119.6 }
atom:   453  40A-H    N   8.26  ambi=1 { N:123.9 }
::sumAvg: 4.715

atom:   453  40A-H    N   8.26  ambi=1 { N:123.9 }
atom:   421  37L-H    N   9.02  ambi=1 { N:119.6 }
::sumAvg: 4.715

atom:   435  38G-H    N   8.94  ambi=1 { N:106.6 }
atom:   455  40A-HB   B   1.47  ambi=1 { CB:17.2 }
::sumAvg: 4.745

atom:   480  43N-H    N   7.6   ambi=1 { N:120.3 }
atom:   442  39N-HA   A   4.44  ambi=1 { CA:56.3 }
::sumAvg: 4.17

atom:   480  43N-H    N   7.6   ambi=1 { N:120.3 }
atom:   454  40A-HA   A   3.97  ambi=1 { CA:55.9 }
::sumAvg: 3.455

atom:   492  44I-H    N   7.63  ambi=1 { N:119.7 }
atom:   454  40A-HA   A   3.97  ambi=1 { CA:55.9 }
::sumAvg: 4.325

atom:   484  43N-HD21 D2  7.04  ambi=1 { ND2:112.1 }
atom:   455  40A-HB   B   1.47  ambi=1 { CB:17.2 }
::sumAvg: 4.315

atom:   492  44I-H    N   7.63  ambi=1 { N:119.7 }
atom:   455  40A-HB   B   1.47  ambi=1 { CB:17.2 }
::sumAvg: 4.82

atom:   445  39N-QD2  D2  7.15  ambi=2 { ND2:111.8 }
atom:   453  40A-H    N   8.26  ambi=1 { N:123.9 }
::sumAvg: 4.75

atom:   453  40A-H    N   8.26  ambi=1 { N:123.9 }
atom:   463  41V-HG1  G1  0.29  ambi=2 { CG1:22.3 }
::
atom:   453  40A-H    N   8.26  ambi=1 { N:123.9 }
atom:   464  41V-HG2  G2  0.97  ambi=2 { CG2:24.6 }
::sumAvg: 4.245

atom:   520  46A-H    N   7.75  ambi=1 { N:120 }
atom:   494  44I-HB   B   2.03  ambi=1 { CB:35.7 }
::sumAvg: 4.875

atom:   471  42T-H    N   8.21  ambi=1 { N:114.8 }
atom:   512  45I-HD1  D1  0.48  ambi=1 { CD1:13.4 }
::sumAvg: 4.3

atom:   492  44I-H    N   7.63  ambi=1 { N:119.7 }
atom:   472  42T-HA   A   3.43  ambi=1 { CA:67.5 }
::sumAvg: 4.195

atom:   520  46A-H    N   7.75  ambi=1 { N:120 }
atom:   472  42T-HA   A   3.43  ambi=1 { CA:67.5 }
::sumAvg: 4.045

atom:   480  43N-H    N   7.6   ambi=1 { N:120.3 }
atom:   522  46A-HB   B   1.34  ambi=1 { CB:17.9 }
::sumAvg: 4.635

atom:   492  44I-H    N   7.63  ambi=1 { N:119.7 }
atom:   508  45I-HB   B   1.72  ambi=1 { CB:36.6 }
::sumAvg: 4.54

atom:   492  44I-H    N   7.63  ambi=1 { N:119.7 }
atom:   522  46A-HB   B   1.34  ambi=1 { CB:17.9 }
::sumAvg: 4.58

atom:   492  44I-H    N   7.63  ambi=1 { N:119.7 }
atom:   531  47Q-HG2  G   2.35  ambi=2 { CG:33.9 }
::
atom:   492  44I-H    N   7.63  ambi=1 { N:119.7 }
atom:   532  47Q-HG3  G   2.6   ambi=2 { CG:33.9 }
::sumAvg: 4.93

atom:   492  44I-H    N   7.63  ambi=1 { N:119.7 }
atom:   533  47Q-HE21 E2  7.15  ambi=1 { NE2:111.6 }
::sumAvg: 4.315

atom:   533  47Q-HE21 E2  7.15  ambi=1 { NE2:111.6 }
atom:   492  44I-H    N   7.63  ambi=1 { N:119.7 }
::sumAvg: 4.315

atom:   506  45I-H    N   8.46  ambi=1 { N:120.3 }
atom:   497  44I-HG2  G2  0.77  ambi=1 { CG2:18.2 }
::sumAvg: 3.265

atom:   533  47Q-HE21 E2  7.15  ambi=1 { NE2:111.6 }
atom:   496  44I-HG13 G1  1.66  ambi=2 { CG1:27 }
::
atom:   534  47Q-HE22 E2  6.82  ambi=1 { NE2:111.6 }
atom:   496  44I-HG13 G1  1.66  ambi=2 { CG1:27 }
::
atom:   533  47Q-HE21 E2  7.15  ambi=1 { NE2:111.6 }
atom:   495  44I-HG12 G1  1.01  ambi=2 { CG1:27 }
::
atom:   534  47Q-HE22 E2  6.82  ambi=1 { NE2:111.6 }
atom:   495  44I-HG12 G1  1.01  ambi=2 { CG1:27 }
::sumAvg: 4.22

atom:   506  45I-H    N   8.46  ambi=1 { N:120.3 }
atom:   498  44I-HD1  D1  0.57  ambi=1 { CD1:9.1 }
::sumAvg: 4.53

atom:   506  45I-H    N   8.46  ambi=1 { N:120.3 }
atom:   511  45I-HG2  G2  0.79  ambi=1 { CG2:18 }
::sumAvg: 3.75

atom:   506  45I-H    N   8.46  ambi=1 { N:120.3 }
atom:   522  46A-HB   B   1.34  ambi=1 { CB:17.9 }
::sumAvg: 4.285

atom:   506  45I-H    N   8.46  ambi=1 { N:120.3 }
atom:   531  47Q-HG2  G   2.35  ambi=2 { CG:33.9 }
::
atom:   506  45I-H    N   8.46  ambi=1 { N:120.3 }
atom:   532  47Q-HG3  G   2.6   ambi=2 { CG:33.9 }
::sumAvg: 4.985

atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   511  45I-HG2  G2  0.79  ambi=1 { CG2:18 }
::sumAvg: 3.96

atom:   647  57V-H    N   8.51  ambi=1 { N:121.6 }
atom:   511  45I-HG2  G2  0.79  ambi=1 { CG2:18 }
::sumAvg: 3.495

atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   543  48V-HA   A   4.39  ambi=1 { CA:59.9 }
::sumAvg: 4.81

atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   544  48V-HB   B   2.52  ambi=1 { CB:31.9 }
::sumAvg: 4.05

atom:   520  46A-H    N   7.75  ambi=1 { N:120 }
atom:   529  47Q-HB2  B   2.16  ambi=2 { CB:29 }
::
atom:   520  46A-H    N   7.75  ambi=1 { N:120 }
atom:   530  47Q-HB3  B   2.3   ambi=2 { CB:29 }
::sumAvg: 4.81

atom:   520  46A-H    N   7.75  ambi=1 { N:120 }
atom:   533  47Q-HE21 E2  7.15  ambi=1 { NE2:111.6 }
::sumAvg: 4.685

atom:   520  46A-H    N   7.75  ambi=1 { N:120 }
atom:   604  53R-HG2  G   1.53  ambi=2 { CG:28.5 }
::
atom:   520  46A-H    N   7.75  ambi=1 { N:120 }
atom:   605  53R-HG3  G   1.87  ambi=2 { CG:28.5 }
::sumAvg: 4.965

atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   521  46A-HA   A   3.95  ambi=1 { CA:54 }
::sumAvg: 3.235

atom:   533  47Q-HE21 E2  7.15  ambi=1 { NE2:111.6 }
atom:   522  46A-HB   B   1.34  ambi=1 { CB:17.9 }
::sumAvg: 4.08

atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   522  46A-HB   B   1.34  ambi=1 { CB:17.9 }
::sumAvg: 4.58

atom:   533  47Q-HE21 E2  7.15  ambi=1 { NE2:111.6 }
atom:   527  47Q-H    N   7.61  ambi=1 { N:114 }
::sumAvg: 3.98

atom:   527  47Q-H    N   7.61  ambi=1 { N:114 }
atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
::sumAvg: 4.96

atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   527  47Q-H    N   7.61  ambi=1 { N:114 }
::sumAvg: 4.96

atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   542  48V-H    N   7.74  ambi=1 { N:122.4 }
::sumAvg: 3.545

atom:   542  48V-H    N   7.74  ambi=1 { N:122.4 }
atom:   609  53R-HH21 H2  6.5   ambi=2 {attached_atom is not_assigned}
::sumAvg: 4.05

atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   546  48V-HG2  G2  1.07  ambi=2 { CG2:21 }
::
atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   545  48V-HG1  G1  1.05  ambi=2 { CG1:20.4 }
::sumAvg: 3.625

atom:   636  56V-H    N   8.04  ambi=1 { N:117.9 }
atom:   619  54V-HA   A   3.46  ambi=1 { CA:67.2 }
::sumAvg: 4.345

atom:   575  51S-H    N   8.64  ambi=1 { N:112 }
atom:   552  49P-HA   A   4.34  ambi=1 { CA:63.7 }
::sumAvg: 4.035

atom:   583  52K-H    N   7.95  ambi=1 { N:119.6 }
atom:   552  49P-HA   A   4.34  ambi=1 { CA:63.7 }
::sumAvg: 4.695

atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   552  49P-HA   A   4.34  ambi=1 { CA:63.7 }
::sumAvg: 4.2

atom:   583  52K-H    N   7.95  ambi=1 { N:119.6 }
atom:   555  49P-QG   G   2.07  ambi=2 { CG:27.9 }
::sumAvg: 4.095

atom:   564  50E-H    N   8.96  ambi=1 { N:124.4 }
atom:   600  53R-H    N   7.29  ambi=1 { N:119 }
::sumAvg: 4.63

atom:   600  53R-H    N   7.29  ambi=1 { N:119 }
atom:   564  50E-H    N   8.96  ambi=1 { N:124.4 }
::sumAvg: 4.63

atom:   564  50E-H    N   8.96  ambi=1 { N:124.4 }
atom:   602  53R-HB2  B   1.54  ambi=2 { CB:30.8 }
::
atom:   564  50E-H    N   8.96  ambi=1 { N:124.4 }
atom:   603  53R-HB3  B   1.8   ambi=2 { CB:30.8 }
::sumAvg: 4.755

atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   564  50E-H    N   8.96  ambi=1 { N:124.4 }
::sumAvg: 4.38

atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   565  50E-HA   A   3.58  ambi=1 { CA:60.8 }
::sumAvg: 3.63

atom:   618  54V-H    N   8.44  ambi=1 { N:118.4 }
atom:   565  50E-HA   A   3.58  ambi=1 { CA:60.8 }
::sumAvg: 4.42

atom:   583  52K-H    N   7.95  ambi=1 { N:119.6 }
atom:   566  50E-QB   B   2.06  ambi=2 { CB:29.9 }
::sumAvg: 4.53

atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   566  50E-QB   B   2.06  ambi=2 { CB:29.9 }
::sumAvg: 4.985

atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   568  50E-QG   G   2.32  ambi=2 { CG:36.1 }
::sumAvg: 4.275

atom:   583  52K-H    N   7.95  ambi=1 { N:119.6 }
atom:   591  52K-QE   E   2.92  ambi=2 { CE:42 }
::sumAvg: 4.735

atom:   583  52K-H    N   7.95  ambi=1 { N:119.6 }
atom:   602  53R-HB2  B   1.54  ambi=2 { CB:30.8 }
::
atom:   583  52K-H    N   7.95  ambi=1 { N:119.6 }
atom:   603  53R-HB3  B   1.8   ambi=2 { CB:30.8 }
::sumAvg: 4.02

atom:   583  52K-H    N   7.95  ambi=1 { N:119.6 }
atom:   604  53R-HG2  G   1.53  ambi=2 { CG:28.5 }
::
atom:   583  52K-H    N   7.95  ambi=1 { N:119.6 }
atom:   605  53R-HG3  G   1.87  ambi=2 { CG:28.5 }
::sumAvg: 4.91

atom:   618  54V-H    N   8.44  ambi=1 { N:118.4 }
atom:   583  52K-H    N   7.95  ambi=1 { N:119.6 }
::sumAvg: 4.365

atom:   636  56V-H    N   8.04  ambi=1 { N:117.9 }
atom:   584  52K-HA   A   4.65  ambi=1 { CA:55.5 }
::sumAvg: 4.075

atom:   600  53R-H    N   7.29  ambi=1 { N:119 }
atom:   585  52K-HB2  B   1.64  ambi=2 { CB:34 }
::
atom:   600  53R-H    N   7.29  ambi=1 { N:119 }
atom:   586  52K-HB3  B   1.98  ambi=2 { CB:34 }
::sumAvg: 3.715

atom:   636  56V-H    N   8.04  ambi=1 { N:117.9 }
atom:   585  52K-HB2  B   1.64  ambi=2 { CB:34 }
::
atom:   636  56V-H    N   8.04  ambi=1 { N:117.9 }
atom:   586  52K-HB3  B   1.98  ambi=2 { CB:34 }
::sumAvg: 4.24

atom:   600  53R-H    N   7.29  ambi=1 { N:119 }
atom:   587  52K-QG   G   1.42  ambi=2 { CG:25.1 }
::sumAvg: 3.76

atom:   600  53R-H    N   7.29  ambi=1 { N:119 }
atom:   620  54V-HB   B   1.95  ambi=1 { CB:31 }
::sumAvg: 4.96

atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   600  53R-H    N   7.29  ambi=1 { N:119 }
::sumAvg: 4.815

atom:   600  53R-H    N   7.29  ambi=1 { N:119 }
atom:   629  55A-H    N   8.12  ambi=1 { N:122.3 }
::sumAvg: 4.085

atom:   600  53R-H    N   7.29  ambi=1 { N:119 }
atom:   631  55A-HB   B   1.44  ambi=1 { CB:17.9 }
::sumAvg: 4.69

atom:   600  53R-H    N   7.29  ambi=1 { N:119 }
atom:   636  56V-H    N   8.04  ambi=1 { N:117.9 }
::sumAvg: 4.77

atom:   636  56V-H    N   8.04  ambi=1 { N:117.9 }
atom:   600  53R-H    N   7.29  ambi=1 { N:119 }
::sumAvg: 4.77

atom:   600  53R-H    N   7.29  ambi=1 { N:119 }
atom:   639  56V-HG1  G1  0.89  ambi=2 { CG1:21.9 }
::
atom:   600  53R-H    N   7.29  ambi=1 { N:119 }
atom:   640  56V-HG2  G2  1.12  ambi=2 { CG2:23.6 }
::sumAvg: 4.365

atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   601  53R-HA   A   3.53  ambi=1 { CA:61.7 }
::sumAvg: 4.225

atom:   618  54V-H    N   8.44  ambi=1 { N:118.4 }
atom:   601  53R-HA   A   3.53  ambi=1 { CA:61.7 }
::sumAvg: 3.55

atom:   629  55A-H    N   8.12  ambi=1 { N:122.3 }
atom:   601  53R-HA   A   3.53  ambi=1 { CA:61.7 }
::sumAvg: 4.45

atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   602  53R-HB2  B   1.54  ambi=2 { CB:30.8 }
::
atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   603  53R-HB3  B   1.8   ambi=2 { CB:30.8 }
::sumAvg: 3.33

atom:   629  55A-H    N   8.12  ambi=1 { N:122.3 }
atom:   602  53R-HB2  B   1.54  ambi=2 { CB:30.8 }
::
atom:   629  55A-H    N   8.12  ambi=1 { N:122.3 }
atom:   603  53R-HB3  B   1.8   ambi=2 { CB:30.8 }
::sumAvg: 4.855

atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   604  53R-HG2  G   1.53  ambi=2 { CG:28.5 }
::
atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   605  53R-HG3  G   1.87  ambi=2 { CG:28.5 }
::sumAvg: 2.69

atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   606  53R-HD2  D   3.05  ambi=2 { CD:44.2 }
::
atom:   608  53R-HE   E   6.84  ambi=1 { NE:84.9 }
atom:   607  53R-HD3  D   3.14  ambi=2 { CD:44.2 }
::sumAvg: 2.795

atom:   618  54V-H    N   8.44  ambi=1 { N:118.4 }
atom:   631  55A-HB   B   1.44  ambi=1 { CB:17.9 }
::sumAvg: 4.22

atom:   618  54V-H    N   8.44  ambi=1 { N:118.4 }
atom:   639  56V-HG1  G1  0.89  ambi=2 { CG1:21.9 }
::
atom:   618  54V-H    N   8.44  ambi=1 { N:118.4 }
atom:   640  56V-HG2  G2  1.12  ambi=2 { CG2:23.6 }
::sumAvg: 4.825

atom:   706  62K-H    N   8.19  ambi=1 { N:124 }
atom:   679  60F-HA   A   4.21  ambi=1 { CA:61.6 }
::sumAvg: 4.43

atom:   629  55A-H    N   8.12  ambi=1 { N:122.3 }
atom:   650  57V-HG1  G1  1.05  ambi=2 { CG1:21.5 }
::
atom:   629  55A-H    N   8.12  ambi=1 { N:122.3 }
atom:   651  57V-HG2  G2  0.98  ambi=2 { CG2:24.7 }
::sumAvg: 4.37

atom:   629  55A-H    N   8.12  ambi=1 { N:122.3 }
atom:   658  58D-H    N   8.8   ambi=1 { N:124.8 }
::sumAvg: 4.84

atom:   658  58D-H    N   8.8   ambi=1 { N:124.8 }
atom:   629  55A-H    N   8.12  ambi=1 { N:122.3 }
::sumAvg: 4.84

atom:   647  57V-H    N   8.51  ambi=1 { N:121.6 }
atom:   631  55A-HB   B   1.44  ambi=1 { CB:17.9 }
::sumAvg: 4.645

atom:   636  56V-H    N   8.04  ambi=1 { N:117.9 }
atom:   650  57V-HG1  G1  1.05  ambi=2 { CG1:21.5 }
::
atom:   636  56V-H    N   8.04  ambi=1 { N:117.9 }
atom:   651  57V-HG2  G2  0.98  ambi=2 { CG2:24.7 }
::sumAvg: 4.035

atom:   636  56V-H    N   8.04  ambi=1 { N:117.9 }
atom:   658  58D-H    N   8.8   ambi=1 { N:124.8 }
::sumAvg: 3.995

atom:   666  59N-H    N   8.5   ambi=1 { N:118.8 }
atom:   636  56V-H    N   8.04  ambi=1 { N:117.9 }
::sumAvg: 4.745

atom:   647  57V-H    N   8.51  ambi=1 { N:121.6 }
atom:   638  56V-HB   B   2.12  ambi=1 { CB:31.4 }
::sumAvg: 3.2

atom:   666  59N-H    N   8.5   ambi=1 { N:118.8 }
atom:   639  56V-HG1  G1  0.89  ambi=2 { CG1:21.9 }
::
atom:   666  59N-H    N   8.5   ambi=1 { N:118.8 }
atom:   640  56V-HG2  G2  1.12  ambi=2 { CG2:23.6 }
::sumAvg: 4.85

atom:   666  59N-H    N   8.5   ambi=1 { N:118.8 }
atom:   650  57V-HG1  G1  1.05  ambi=2 { CG1:21.5 }
::
atom:   666  59N-H    N   8.5   ambi=1 { N:118.8 }
atom:   651  57V-HG2  G2  0.98  ambi=2 { CG2:24.7 }
::sumAvg: 4.415

atom:   658  58D-H    N   8.8   ambi=1 { N:124.8 }
atom:   700  61T-HG2  G2  1.51  ambi=1 { CG2:23 }
::sumAvg: 4.95

atom:   666  59N-H    N   8.5   ambi=1 { N:118.8 }
atom:   670  59N-HD21 D2  7.73  ambi=1 { ND2:113 }
::
atom:   666  59N-H    N   8.5   ambi=1 { N:118.8 }
atom:   671  59N-HD22 D2  7.02  ambi=1 { ND2:113 }
::sumAvg: 4.09

atom:   678  60F-H    N   8.54  ambi=1 { N:121.8 }
atom:   699  61T-HG1  G1  5.11  ambi=1 {attached_atom is not_assigned}
::sumAvg: 4.695

atom:   678  60F-H    N   8.54  ambi=1 { N:121.8 }
atom:   708  62K-HB2  B   1.88  ambi=2 { CB:32.5 }
::
atom:   678  60F-H    N   8.54  ambi=1 { N:121.8 }
atom:   709  62K-HB3  B   1.95  ambi=2 { CB:32.5 }
::sumAvg: 4.91

atom:   678  60F-H    N   8.54  ambi=1 { N:121.8 }
atom:   723  63A-H    N   7.8   ambi=1 { N:121.5 }
::sumAvg: 4.705

atom:   723  63A-H    N   7.8   ambi=1 { N:121.5 }
atom:   678  60F-H    N   8.54  ambi=1 { N:121.8 }
::sumAvg: 4.705

atom:   678  60F-H    N   8.54  ambi=1 { N:121.8 }
atom:   725  63A-HB   B   1.37  ambi=1 { CB:17.8 }
::sumAvg: 4.825

atom:   696  61T-H    N   8.82  ambi=1 { N:112.2 }
atom:   682  60F-QD   D   7.16  ambi=3 { CD1:132.1 }
::sumAvg: 3.375

atom:   730  64L-H    N   7.85  ambi=1 { N:120.1 }
atom:   682  60F-QD   D   7.16  ambi=3 { CD1:132.1 }
::sumAvg: 4.985

atom:   723  63A-H    N   7.8   ambi=1 { N:121.5 }
atom:   696  61T-H    N   8.82  ambi=1 { N:112.2 }
::sumAvg: 4.275

atom:   696  61T-H    N   8.82  ambi=1 { N:112.2 }
atom:   730  64L-H    N   7.85  ambi=1 { N:120.1 }
::sumAvg: 4.72

atom:   730  64L-H    N   7.85  ambi=1 { N:120.1 }
atom:   696  61T-H    N   8.82  ambi=1 { N:112.2 }
::sumAvg: 4.72

atom:   761  66Q-H    N   7.82  ambi=1 { N:116.8 }
atom:   707  62K-HA   A   4.01  ambi=1 { CA:60.1 }
::sumAvg: 4.21

atom:   706  62K-H    N   8.19  ambi=1 { N:124 }
atom:   712  62K-QD   D   1.65  ambi=2 { CD:29.5 }
::sumAvg: 4.13

atom:   706  62K-H    N   8.19  ambi=1 { N:124 }
atom:   732  64L-HB2  B   1.23  ambi=2 { CB:41.9 }
::
atom:   706  62K-H    N   8.19  ambi=1 { N:124 }
atom:   733  64L-HB3  B   1.46  ambi=2 { CB:41.9 }
::sumAvg: 4.955

atom:   723  63A-H    N   7.8   ambi=1 { N:121.5 }
atom:   712  62K-QD   D   1.65  ambi=2 { CD:29.5 }
::sumAvg: 4.445

atom:   784  68V-H    N   7.86  ambi=1 { N:119.3 }
atom:   778  67S-QB   B   3.94  ambi=2 { CB:63 }
::sumAvg: 3.085

atom:   768  66Q-HE22 E2  6.8   ambi=1 { NE2:112 }
atom:   714  62K-QE   E   2.93  ambi=2 { CE:42 }
::sumAvg: 4.695

atom:   723  63A-H    N   7.8   ambi=1 { N:121.5 }
atom:   732  64L-HB2  B   1.23  ambi=2 { CB:41.9 }
::
atom:   723  63A-H    N   7.8   ambi=1 { N:121.5 }
atom:   733  64L-HB3  B   1.46  ambi=2 { CB:41.9 }
::sumAvg: 4.64

atom:   744  65K-H    N   7.97  ambi=1 { N:118.1 }
atom:   724  63A-HA   A   4.07  ambi=1 { CA:54.7 }
::sumAvg: 4.69

atom:   776  67S-H    N   8.06  ambi=1 { N:114.2 }
atom:   724  63A-HA   A   4.07  ambi=1 { CA:54.7 }
::sumAvg: 4.045

atom:   744  65K-H    N   7.97  ambi=1 { N:118.1 }
atom:   725  63A-HB   B   1.37  ambi=1 { CB:17.8 }
::sumAvg: 4.66

atom:   776  67S-H    N   8.06  ambi=1 { N:114.2 }
atom:   725  63A-HB   B   1.37  ambi=1 { CB:17.8 }
::sumAvg: 4.565

atom:   730  64L-H    N   7.85  ambi=1 { N:120.1 }
atom:   734  64L-HG   G   1.3   ambi=1 { CG:26.4 }
::sumAvg: 3.42

atom:   744  65K-H    N   7.97  ambi=1 { N:118.1 }
atom:   734  64L-HG   G   1.3   ambi=1 { CG:26.4 }
::sumAvg: 4.52

atom:   744  65K-H    N   7.97  ambi=1 { N:118.1 }
atom:   735  64L-HD1  D1  0.63  ambi=2 { CD1:24.8 }
::
atom:   744  65K-H    N   7.97  ambi=1 { N:118.1 }
atom:   736  64L-HD2  D2  0.67  ambi=2 { CD2:26.3 }
::sumAvg: 3.785

atom:   784  68V-H    N   7.86  ambi=1 { N:119.3 }
atom:   735  64L-HD1  D1  0.63  ambi=2 { CD1:24.8 }
::
atom:   784  68V-H    N   7.86  ambi=1 { N:119.3 }
atom:   736  64L-HD2  D2  0.67  ambi=2 { CD2:26.3 }
::sumAvg: 4.51

atom:   744  65K-H    N   7.97  ambi=1 { N:118.1 }
atom:   750  65K-QD   D   1.7   ambi=2 { CD:29.3 }
::sumAvg: 4.115

atom:   744  65K-H    N   7.97  ambi=1 { N:118.1 }
atom:   763  66Q-HB2  B   2.04  ambi=2 { CB:28.2 }
::
atom:   744  65K-H    N   7.97  ambi=1 { N:118.1 }
atom:   764  66Q-HB3  B   2.1   ambi=2 { CB:28.2 }
::sumAvg: 4.83

atom:   784  68V-H    N   7.86  ambi=1 { N:119.3 }
atom:   745  65K-HA   A   3.73  ambi=1 { CA:60.4 }
::sumAvg: 3.48

atom:   795  69L-H    N   7.88  ambi=1 { N:119.8 }
atom:   745  65K-HA   A   3.73  ambi=1 { CA:60.4 }
::sumAvg: 3.725

atom:   784  68V-H    N   7.86  ambi=1 { N:119.3 }
atom:   746  65K-QB   B   1.9   ambi=2 { CB:31.9 }
::sumAvg: 4.91

atom:   784  68V-H    N   7.86  ambi=1 { N:119.3 }
atom:   762  66Q-HA   A   3.95  ambi=1 { CA:58.7 }
::sumAvg: 4.415

atom:   809  70E-H    N   7.82  ambi=1 { N:118 }
atom:   785  68V-HA   A   3.85  ambi=1 { CA:64.9 }
::sumAvg: 4.155

atom:   820  71H-H    N   7.95  ambi=1 { N:117.8 }
atom:   785  68V-HA   A   3.85  ambi=1 { CA:64.9 }
::sumAvg: 4.995

atom:   809  70E-H    N   7.82  ambi=1 { N:118 }
atom:   786  68V-HB   B   2.09  ambi=1 { CB:32 }
::sumAvg: 4.96

atom:   795  69L-H    N   7.88  ambi=1 { N:119.8 }
atom:   811  70E-QB   B   1.94  ambi=2 { CB:29.8 }
::sumAvg: 4.65

atom:   809  70E-H    N   7.82  ambi=1 { N:118 }
atom:   799  69L-HG   G   1.7   ambi=1 { CG:27 }
::sumAvg: 4.47

atom:   809  70E-H    N   7.82  ambi=1 { N:118 }
atom:   821  71H-HA   A   4.46  ambi=1 { CA:56.3 }
::sumAvg: 4.845

atom:   828  72H-H    N   8.26  ambi=1 { N:119.1 }
atom:   810  70E-HA   A   4.13  ambi=1 { CA:56.9 }
::sumAvg: 4.885

atom:   828  72H-H    N   8.26  ambi=1 { N:119.1 }
atom:   811  70E-QB   B   1.94  ambi=2 { CB:29.8 }
::sumAvg: 4.525

atom:   820  71H-H    N   7.95  ambi=1 { N:117.8 }
atom:   813  70E-HG2  G   2.16  ambi=2 { CG:36.1 }
::
atom:   820  71H-H    N   7.95  ambi=1 { N:117.8 }
atom:   814  70E-HG3  G   2.3   ambi=2 { CG:36.1 }
::sumAvg: 4.51

atom:   836  73H-H    N   8.42  ambi=1 { N:119.7 }
atom:   821  71H-HA   A   4.46  ambi=1 { CA:56.3 }
::sumAvg: 4.82

atom:   836  73H-H    N   8.42  ambi=1 { N:119.7 }
atom:   822  71H-QB   B   3.14  ambi=2 { CB:28.8 }
::sumAvg: 4.895

atom:   836  73H-H    N   8.42  ambi=1 { N:119.7 }
atom:   846  74H-QB   B   3.13  ambi=2 { CB:29.5 }
::sumAvg: 4.76

atom:   844  74H-H    N   8.47  ambi=1 { N:120.5 }
atom:   838  73H-QB   B   3.07  ambi=2 { CB:29.6 }
::sumAvg: 2.87

# Missing interactons for aro.peaks

atom:    67   7Y-QD   D   7.02  ambi=3 { CD1:133.1 }
atom:    39   5S-HA   A   4.42  ambi=1 { CA:57.9 }
::sumAvg: 4.66

atom:    67   7Y-QD   D   7.02  ambi=3 { CD1:133.1 }
atom:    47   6K-HA   A   4.15  ambi=1 { CA:56.8 }
::sumAvg: 4.085

atom:    67   7Y-QD   D   7.02  ambi=3 { CD1:133.1 }
atom:    50   6K-QG   G   1.14  ambi=2 { CG:24.5 }
::sumAvg: 4.455

atom:    69   7Y-QE   E   6.77  ambi=3 { CE1:118 }
atom:    50   6K-QG   G   1.14  ambi=2 { CG:24.5 }
::sumAvg: 4.725

atom:    69   7Y-QE   E   6.77  ambi=3 { CE1:118 }
atom:    63   7Y-H    N   8.15  ambi=1 { N:120 }
::sumAvg: 4.505

atom:    67   7Y-QD   D   7.02  ambi=3 { CD1:133.1 }
atom:    64   7Y-HA   A   4.64  ambi=1 { CA:56.7 }
::sumAvg: 3.16

atom:    67   7Y-QD   D   7.02  ambi=3 { CD1:133.1 }
atom:    80   8S-HA   A   4.4   ambi=1 { CA:57.6 }
::sumAvg: 4.915

atom:    67   7Y-QD   D   7.02  ambi=3 { CD1:133.1 }
atom:   112  11R-QB   B   1.95  ambi=2 { CB:30.1 }
::sumAvg: 4.505

atom:    67   7Y-QD   D   7.02  ambi=3 { CD1:133.1 }
atom:   116  11R-HD2  D   3.08  ambi=2 { CD:43.5 }
::
atom:    67   7Y-QD   D   7.02  ambi=3 { CD1:133.1 }
atom:   117  11R-HD3  D   3.23  ambi=2 { CD:43.5 }
::sumAvg: 3.3

atom:    67   7Y-QD   D   7.02  ambi=3 { CD1:133.1 }
atom:   118  11R-HE   E   7.45  ambi=1 { NE:84.6 }
::sumAvg: 4.9

atom:   684  60F-QE   E   7.38  ambi=3 { CE1:131 }
atom:   436  38G-HA2  A   3.61  ambi=2 { CA:47.9 }
::
atom:   684  60F-QE   E   7.38  ambi=3 { CE1:131 }
atom:   437  38G-HA3  A   3.97  ambi=2 { CA:47.9 }
::sumAvg: 4.85

atom:   686  60F-HZ   Z   6.9   ambi=1 { CZ:128.6 }
atom:   462  41V-HB   B   2.23  ambi=1 { CB:30.9 }
::sumAvg: 4.655

atom:   684  60F-QE   E   7.38  ambi=3 { CE1:131 }
atom:   462  41V-HB   B   2.23  ambi=1 { CB:30.9 }
::sumAvg: 4.145

atom:   682  60F-QD   D   7.16  ambi=3 { CD1:132.1 }
atom:   463  41V-HG1  G1  0.29  ambi=2 { CG1:22.3 }
::
atom:   682  60F-QD   D   7.16  ambi=3 { CD1:132.1 }
atom:   464  41V-HG2  G2  0.97  ambi=2 { CG2:24.6 }
::sumAvg: 3.055

atom:   682  60F-QD   D   7.16  ambi=3 { CD1:132.1 }
atom:   512  45I-HD1  D1  0.48  ambi=1 { CD1:13.4 }
::sumAvg: 3.695

atom:   684  60F-QE   E   7.38  ambi=3 { CE1:131 }
atom:   512  45I-HD1  D1  0.48  ambi=1 { CD1:13.4 }
::sumAvg: 4.54

atom:   682  60F-QD   D   7.16  ambi=3 { CD1:132.1 }
atom:   679  60F-HA   A   4.21  ambi=1 { CA:61.6 }
::sumAvg: 2.7

atom:   684  60F-QE   E   7.38  ambi=3 { CE1:131 }
atom:   679  60F-HA   A   4.21  ambi=1 { CA:61.6 }
::sumAvg: 4.545

atom:   684  60F-QE   E   7.38  ambi=3 { CE1:131 }
atom:   680  60F-QB   B   3.285 ambi=2 { CB:39.8 }
::sumAvg: 3.915

atom:   682  60F-QD   D   7.16  ambi=3 { CD1:132.1 }
atom:   639  56V-HG1  G1  0.89  ambi=2 { CG1:21.9 }
::
atom:   682  60F-QD   D   7.16  ambi=3 { CD1:132.1 }
atom:   640  56V-HG2  G2  1.12  ambi=2 { CG2:23.6 }
::sumAvg: 4.695

atom:   682  60F-QD   D   7.16  ambi=3 { CD1:132.1 }
atom:   648  57V-HA   A   3.76  ambi=1 { CA:66.7 }
::sumAvg: 3.96

atom:   682  60F-QD   D   7.16  ambi=3 { CD1:132.1 }
atom:   650  57V-HG1  G1  1.05  ambi=2 { CG1:21.5 }
::
atom:   682  60F-QD   D   7.16  ambi=3 { CD1:132.1 }
atom:   651  57V-HG2  G2  0.98  ambi=2 { CG2:24.7 }
::sumAvg: 3.69

atom:   682  60F-QD   D   7.16  ambi=3 { CD1:132.1 }
atom:   678  60F-H    N   8.54  ambi=1 { N:121.8 }
::sumAvg: 4.165

atom:   682  60F-QD   D   7.16  ambi=3 { CD1:132.1 }
atom:   697  61T-HA   A   3.82  ambi=1 { CA:66.2 }
::sumAvg: 3.48

atom:   682  60F-QD   D   7.16  ambi=3 { CD1:132.1 }
atom:   696  61T-H    N   8.82  ambi=1 { N:112.2 }
::sumAvg: 3.375

atom:   682  60F-QD   D   7.16  ambi=3 { CD1:132.1 }
atom:   725  63A-HB   B   1.37  ambi=1 { CB:17.8 }
::sumAvg: 4.37

atom:   682  60F-QD   D   7.16  ambi=3 { CD1:132.1 }
atom:   730  64L-H    N   7.85  ambi=1 { N:120.1 }
::sumAvg: 4.985

atom:   682  60F-QD   D   7.16  ambi=3 { CD1:132.1 }
atom:   732  64L-HB2  B   1.23  ambi=2 { CB:41.9 }
::
atom:   682  60F-QD   D   7.16  ambi=3 { CD1:132.1 }
atom:   733  64L-HB3  B   1.46  ambi=2 { CB:41.9 }
::sumAvg: 4.7

atom:   682  60F-QD   D   7.16  ambi=3 { CD1:132.1 }
atom:   734  64L-HG   G   1.3   ambi=1 { CG:26.4 }
::sumAvg: 4.52

atom:   686  60F-HZ   Z   6.9   ambi=1 { CZ:128.6 }
atom:   734  64L-HG   G   1.3   ambi=1 { CG:26.4 }
::sumAvg: 4.735

atom:   684  60F-QE   E   7.38  ambi=3 { CE1:131 }
atom:   697  61T-HA   A   3.82  ambi=1 { CA:66.2 }
::sumAvg: 4.715

atom:   684  60F-QE   E   7.38  ambi=3 { CE1:131 }
atom:   700  61T-HG2  G2  1.51  ambi=1 { CG2:23 }
::sumAvg: 4.145

atom:   684  60F-QE   E   7.38  ambi=3 { CE1:131 }
atom:   732  64L-HB2  B   1.23  ambi=2 { CB:41.9 }
::
atom:   684  60F-QE   E   7.38  ambi=3 { CE1:131 }
atom:   733  64L-HB3  B   1.46  ambi=2 { CB:41.9 }
::sumAvg: 4.9

atom:   684  60F-QE   E   7.38  ambi=3 { CE1:131 }
atom:   734  64L-HG   G   1.3   ambi=1 { CG:26.4 }
::sumAvg: 4.215