Thank you for using MAUS. If you have any questions or face any issues with this software, please e-mail kuttikands@chop.edu.

Below is the input data you submitted:
PDB file:HB2M.pdb
PDB chain:A
PDB file type:crystal
Labeling scheme:ailv
Side chain labeling scheme:none
Relax option:relax
2D HMQC reference file:HB2M_2D.list
Residue type/s:manual
Geminal NOEs:manual
Known assignments:None
Long mixing time NOE file:HB2M_300ms_3D.list
Short mixing time NOE file:HB2M_50ms_3D.list
Maximum NOE distance for long-range NOEs:10
Maximum NOE distance for short-range NOEs:6.5
Diagonal NOEs tolerances:0.1
Symmetry tolerances:0.15
Clustering tolerances:0.15, 0.02
Are the input assignments classified as stereospecific?:no

Data-to-constraints summary
======================
# 2D peaks: 35
Total NOEs: 196
# diagonal NOEs: 35
# NOEs without symmetry matches before/after reduction of complex components: 22/23
# NOEs in geminal clusters: 28
# NOEs from simple components of size 2 before/after reduction of complex components: 80/82
# NOEs from simple components of size 3 before/after reduction of complex components: 27/24
# NOEs that form complex components before/after reduction of complex components: 4/4
# NOEs used by MAUS: 106
Effective degree connectivity: 2.842105

NOE peaks information
========================
Diagonal NOEs
===============
peak2			12.897	12.893	-0.549	52167820
peak12			15.138	15.138	0.701	120929064
peak24			21.099	21.112	0.917	72032216
peak28			24.265	24.260	0.975	49518176
peak33			19.904	19.910	1.693	43834076
peak39			20.726	20.730	-0.580	66238044
peak45			26.193	26.198	0.016	52437076
peak51			23.662	23.660	0.747	90725888
peak59			21.616	21.590	0.237	93645904
peak76			21.674	21.737	0.490	88286104
peak82			21.521	21.516	1.030	312161664
peak88			22.053	22.047	0.914	142814640
peak94			24.827	24.839	0.743	157565040
peak101			26.212	26.222	0.720	142569936
peak111			26.094	26.102	0.589	146980080
peak114			22.406	22.402	0.384	121953016
peak119			13.696	13.704	0.827	93483320
peak126			22.558	22.561	1.089	237243136
peak133			21.396	21.453	1.020	259875264
peak134			25.910	25.903	0.871	96393768
peak137			24.261	24.260	1.075	31582556
peak139			25.932	25.942	1.057	232633040
peak144			25.677	25.670	0.982	328001568
peak151			23.941	23.933	1.041	30200386
peak152			25.950	25.961	0.776	107300048
peak155			24.205	24.207	1.192	33101498
peak161			21.654	21.646	0.587	56462068
peak166			23.267	23.263	0.796	74634808
peak171			20.776	20.772	0.861	199070432
peak174			19.712	19.704	0.576	13727714
peak175			26.688	26.685	0.949	46271740
peak182			23.285	23.278	0.960	145056992
peak184			12.885	12.884	0.722	1124176512
peak193			21.865	21.891	0.911	111616976
peak196			12.741	12.741	0.738	189574288

Non-diagonal NOEs
===============
Label Annotation            C1         C2         H2            Intensity      Clusters    Symmetry matches
peak1      short     15.115000  21.891001   0.911000      24430300.000000        VX93.2        peak14    
peak3       long     15.190000  12.888000  -0.551000       6906253.000000          IX35        peak11    
peak4      short     21.664000  12.906000  -0.549000      26102630.000000          IX35    peak78 peak163    
peak5      short     22.056999  12.905000  -0.548000      12145889.000000          IX35        peak91    
peak6       long     23.275999  12.906000  -0.547000      11506862.000000          IX35       peak170    
peak7      short     23.662001  12.907000  -0.548000      20073950.000000          IX35        peak56    
peak8       long     26.691000  12.902000  -0.547000       4930942.000000          IX35       peak179    
peak9       long     25.693001  12.894000  -0.550000       7645361.000000          IX35       peak149    
peak10       long     25.930000  12.913000  -0.549000       8585441.000000          IX35       peak138    
peak11       long     12.918000  15.142000   0.701000       6321265.000000           IX7         peak3    
peak13      short     21.631001  15.143000   0.701000      37480224.000000           IX7       peak162    
peak14      short     21.892000  15.143000   0.702000      35922520.000000           IX7         peak1    
peak15      short     23.268000  15.138000   0.701000      33564560.000000           IX7       peak169    
peak16       long     23.639000  15.152000   0.703000       9894993.000000           IX7        peak55    
peak17       long     24.275000  15.140000   0.703000       6842326.000000           IX7    No symmetry matches
peak18      short     26.697001  15.132000   0.700000       8624022.000000           IX7       peak178    
peak19      short     26.177999  21.096001   0.920000      11835092.000000         VX9.1        peak43    
peak20       long     24.802000  21.100000   0.924000       7109296.000000         VX9.1        peak99    
peak21      short     24.257999  21.084999   0.918000      26079902.000000         VX9.1    geminal cluster
peak22       long     21.893000  21.091000   0.913000       5060539.000000         VX9.1       peak195    
peak23       long     21.525000  21.103001   0.912000      11987009.000000         VX9.1    No symmetry matches
peak25       long     20.802999  21.108999   0.917000      18442344.000000         VX9.1        peak38    
peak26       long     26.188999  24.250999   0.980000       6453789.000000         VX9.2    peak47 peak103    
peak27       long     24.785999  24.247000   0.977000       7444190.000000         VX9.2        peak95    
peak29       long     21.892000  24.254000   0.975000      15929701.000000         VX9.2       peak191    
peak30       long     21.563999  24.264999   0.975000      30215456.000000         VX9.2    peak64 peak79    
peak31      short     21.082001  24.257999   0.974000      28326826.000000         VX9.2    geminal cluster
peak32       long     20.714001  24.243999   0.974000       7391836.000000         VX9.2        peak37    
peak34       long     13.669000  20.722000  -0.582000       2426448.000000        LX23.1    No symmetry matches
peak35      short     26.193001  20.730000  -0.580000      33933536.000000        LX23.1    geminal cluster
peak36       long     24.834000  20.730000  -0.579000       7324159.000000        LX23.1        peak98    
peak37       long     24.267000  20.723000  -0.578000       6224407.000000        LX23.1        peak32    
peak38       long     21.047001  20.731001  -0.580000      22493106.000000        LX23.1        peak25    
peak40      short     13.698000  26.181000   0.013000       5909818.000000        LX23.2       peak120    
peak41       long     22.545000  26.172001   0.017000       4388050.000000        LX23.2    No symmetry matches
peak42       long     21.488001  26.205999   0.018000       5030864.000000        LX23.2        peak66    
peak43      short     21.056000  26.195999   0.017000       9782170.000000        LX23.2        peak19    
peak44      short     20.731001  26.198000   0.016000      22689506.000000        LX23.2    geminal cluster
peak46      short     24.833000  26.191000   0.016000      10679851.000000        LX23.2    geminal cluster
peak47       long     24.273001  26.205999   0.015000       3750318.000000        LX23.2        peak26    
peak48       long     22.540001  20.738001  -0.578000       1826679.000000        LX23.1    No symmetry matches
peak49       long     25.922001  23.649000   0.748000       8681807.000000        VX27.2       peak141    
peak50       long     25.714001  23.643999   0.747000       8619340.000000        VX27.2       peak146    
peak52       long     23.292999  23.659000   0.748000      20740856.000000        VX27.2       peak165    
peak53      short     22.066000  23.657000   0.746000      38769672.000000        VX27.2    geminal cluster
peak54      short     21.655001  23.657000   0.747000      29117018.000000        VX27.2    peak73 peak158    
peak55       long     15.182000  23.638000   0.748000       9847388.000000        VX27.2        peak16    
peak56      short     12.908000  23.663000   0.745000      17489490.000000        VX27.2         peak7    
peak57       long     12.889000  21.579000   0.237000       3419978.000000        VX37.1       peak185    
peak58       long     15.167000  21.583000   0.240000       2677383.000000        VX37.1    No symmetry matches
peak60       long     22.047001  21.584000   0.238000      19343996.000000        VX37.1        peak89    Complex - not used
peak61       long     22.537001  21.594000   0.237000       7799475.000000        VX37.1       peak115    
peak62      short     23.266001  21.587000   0.238000      16011309.000000        VX37.1    geminal cluster
peak63       long     23.645000  21.576000   0.239000       6622501.000000        VX37.1    No symmetry matches
peak64       long     24.267000  21.580999   0.238000       2954715.000000        VX37.1        peak30    
peak65      short     24.820999  21.597000   0.238000       9794653.000000        VX37.1        peak97    
peak66       long     26.167999  21.587999   0.238000       9477109.000000        VX37.1    peak42 peak109    
peak67       long     25.677999  21.577999   0.238000       5825244.000000        VX37.1    No symmetry matches
peak68      short     25.646000  21.733999   0.490000       8381942.000000        VX37.2       peak147    
peak69      short     25.937000  21.737000   0.492000      11813746.000000        VX37.2       peak143    
peak70       long     24.829000  21.746000   0.486000       3510903.000000        VX37.2    No symmetry matches
peak71       long     24.226000  12.886000  -0.551000       2512866.000000          IX35    No symmetry matches after reduction
peak72       long     24.257999  21.728001   0.491000       2393088.000000        VX37.2    No symmetry matches
peak73      short     23.658001  21.739000   0.490000      10200331.000000        VX37.2        peak54    
peak74      short     23.274000  21.738001   0.490000      17066812.000000        VX37.2    geminal cluster
peak75       long     22.045000  21.737000   0.490000      24271888.000000        VX37.2        peak89    Complex - not used
peak77       long     15.189000  21.738001   0.488000       4539112.000000        VX37.2    No symmetry matches
peak78      short     12.913000  21.736000   0.488000       8276948.000000        VX37.2         peak4    
peak79       long     24.252001  21.582001   1.033000      25424748.000000    VX49.2 VX93.1        peak30    
peak80       long     23.264000  21.597000   1.038000       5162644.000000        VX93.1       peak181    
peak81      short     21.927999  21.547001   1.030000      50724528.000000    VX49.2 VX93.1    geminal cluster
peak83       long     15.165000  21.582001   1.033000       9533414.000000    VX49.2 VX93.1    No symmetry matches
peak84      short     25.927999  22.091999   0.915000      15475629.000000        VX27.1       peak142    
peak85       long     25.684999  22.087000   0.916000      13521858.000000        VX27.1       peak148    
peak86      short     23.663000  22.075001   0.915000      33702960.000000        VX27.1    geminal cluster
peak87      short     23.240000  22.108999   0.914000      19342152.000000        VX27.1       peak168    
peak89       long     21.615000  22.077999   0.914000      48498560.000000        VX27.1    peak60 peak75 peak160    Complex - not used
peak90       long     15.115000  22.077999   0.914000      10100532.000000        VX27.1    No symmetry matches
peak91      short     12.928000  22.058001   0.912000      10224900.000000        VX27.1         peak5    
peak92       long     13.700000  24.841000   0.743000      10553982.000000        LX39.1       peak121    
peak93      short     26.201000  24.839001   0.743000      70233192.000000        LX39.1    geminal cluster
peak95       long     24.261000  24.834999   0.743000      14393071.000000        LX39.1        peak27    
peak96      short     22.534000  24.839001   0.741000      22836104.000000        LX39.1       peak125    
peak97      short     21.511000  24.841999   0.741000      29705294.000000        LX39.1        peak65    
peak98       long     20.740999  24.841999   0.744000       9210506.000000        LX39.1        peak36    
peak99       long     21.058001  24.851000   0.742000      11811739.000000        LX39.1        peak20    
peak100      short     13.707000  26.212999   0.722000      11482596.000000        LX39.2       peak120    
peak102      short     24.825001  26.226000   0.720000      40076624.000000        LX39.2    geminal cluster
peak103       long     24.221001  26.224001   0.718000       4240807.000000        LX39.2        peak26    
peak104      short     22.555000  26.221001   0.720000      37122712.000000        LX39.2       peak124    
peak105      short     21.459000  26.226999   0.721000      33673976.000000        LX39.2       peak130    
peak106       long     20.737000  26.257999   0.724000       6201888.000000        LX39.2    No symmetry matches
peak107      short     12.900000  26.101999   0.589000      27921822.000000        LX40.1       peak190    
peak108      short     22.407000  26.104000   0.589000      55889788.000000        LX40.1    geminal cluster
peak109       long     21.632000  26.091999   0.588000       6142722.000000        LX40.1        peak66    
peak110      short     24.205999  26.104000   0.589000       9762538.000000        LX40.1       peak154    
peak112       long     12.902000  22.400999   0.383000       8245318.000000        LX40.2       peak187    
peak113       long     13.715000  22.385000   0.383000       5403794.000000        LX40.2       peak122    
peak115       long     21.528000  22.403999   0.383000       5653166.000000        LX40.2        peak61    
peak116       long     24.235001  22.393000   0.386000       4442202.000000        LX40.2    No symmetry matches
peak117       long     24.825001  22.391001   0.387000       5184729.000000        LX40.2    No symmetry matches
peak118      short     26.099001  22.402000   0.384000      53201540.000000        LX40.2    geminal cluster
peak120      short     26.188000  13.708000   0.828000      28328170.000000          IX46    peak40 peak100    
peak121       long     24.823000  13.703000   0.827000      10349366.000000          IX46        peak92    
peak122       long     22.511999  13.697000   0.827000      14646789.000000          IX46    peak113 peak128    
peak123       long     21.454000  13.701000   0.827000      14768125.000000          IX46       peak129    
peak124      short     26.208000  22.559000   1.089000      31950114.000000        VX49.1       peak104    
peak125      short     24.825001  22.558001   1.090000      12080302.000000        VX49.1        peak96    
peak127      short     21.450001  22.562000   1.088000      73026184.000000        VX49.1    geminal cluster
peak128       long     13.705000  22.575001   1.089000       7586506.000000        VX49.1       peak122    
peak129       long     13.691000  21.445000   1.018000      10654747.000000    VX49.2 VX93.1       peak123    
peak130      short     26.204000  21.458000   1.020000      31484012.000000    VX49.2 VX93.1       peak105    
peak131       long     24.829000  21.447001   1.020000      11367010.000000    VX49.2 VX93.1    No symmetry matches
peak132      short     22.556000  21.452999   1.019000      84901616.000000    VX49.2 VX93.1    geminal cluster
peak135      short     24.257000  25.905001   0.871000      20296862.000000        LX54.1    geminal cluster
peak136      short     25.909000  24.247999   1.076000      32221390.000000        LX54.2    geminal cluster
peak138       long     12.870000  25.955000   1.053000       5184816.000000        LX64.1        peak10    
peak140      short     24.257999  25.934999   1.057000      15090017.000000        LX64.1    geminal cluster
peak141       long     23.665001  25.951000   1.061000       9267320.000000        LX64.1        peak49    
peak142      short     22.066000  25.952999   1.058000      10598842.000000        LX64.1        peak84    
peak143      short     21.674999  25.944000   1.057000      13101534.000000        LX64.1        peak69    
peak145       long     24.268999  25.663000   0.984000      15693799.000000        LX64.2    No symmetry matches
peak146       long     23.629999  25.693001   0.981000       7460737.000000        LX64.2        peak50    
peak147      short     21.677000  25.681000   0.982000      13571047.000000        LX64.2        peak68    
peak148       long     22.080000  25.688999   0.983000      11568301.000000        LX64.2        peak85    
peak149       long     12.919000  25.664000   0.981000       5376362.000000        LX64.2         peak9    
peak150      short     25.952999  23.950001   1.044000      22548938.000000        LX65.1    geminal cluster
peak153      short     23.936001  25.968000   0.775000      20452280.000000        LX65.2    geminal cluster
peak154      short     26.101000  24.235001   1.192000      10196327.000000          AX79       peak110    
peak156       long     12.895000  24.209999   1.191000       4851122.000000          AX79       peak188    
peak157      short     26.701000  21.652000   0.588000      10006556.000000        VX82.1       peak177    
peak158      short     23.648001  21.638000   0.588000      13973154.000000        VX82.1        peak54    
peak159      short     23.275000  21.639999   0.587000      31946544.000000        VX82.1    geminal cluster
peak160       long     22.028000  21.653000   0.587000      12875866.000000        VX82.1        peak89    Complex - not used
peak162      short     15.147000  21.648001   0.589000      11965074.000000        VX82.1        peak13    
peak163      short     12.919000  21.643999   0.588000      13845935.000000        VX82.1         peak4    
peak164       long     26.686001  23.254000   0.797000       5824129.000000        VX82.2    No symmetry matches
peak165       long     23.636999  23.267000   0.796000      17800738.000000        VX82.2        peak52    
peak167      short     21.645000  23.263000   0.796000      60228420.000000        VX82.2    geminal cluster
peak168      short     22.052999  23.266001   0.796000      24065988.000000        VX82.2        peak87    
peak169      short     15.158000  23.261999   0.796000      20704574.000000        VX82.2        peak15    
peak170       long     12.920000  23.267000   0.794000       9357459.000000        VX82.2    peak6 peak189    
peak172      short     19.705999  20.771000   0.861000      35076348.000000        VX85.1    geminal cluster
peak173      short     20.785000  19.684999   0.575000      18531666.000000        VX85.2    geminal cluster
peak176      short     23.278999  26.686001   0.949000      41767520.000000        LX87.1    geminal cluster
peak177      short     21.666000  26.667999   0.948000      13754595.000000        LX87.1       peak157    
peak178      short     15.144000  26.683001   0.950000       7144498.000000        LX87.1        peak18    
peak179       long     12.886000  26.705999   0.945000       4889240.000000        LX87.1         peak8    
peak180       long     15.106000  23.292999   0.966000       5608539.000000        LX87.2    No symmetry matches
peak181       long     21.660999  23.296000   0.958000       6975399.000000        LX87.2        peak80    
peak183      short     26.681999  23.278999   0.961000      37813284.000000        LX87.2    geminal cluster
peak185       long     21.608000  12.902000   0.720000       8747301.000000          IX92        peak57    
peak186       long     21.879000  12.889000   0.724000       8129201.000000      IX1 IX92    No symmetry matches
peak187       long     22.400999  12.900000   0.721000      16194897.000000          IX92       peak112    
peak188       long     24.229000  12.891000   0.721000       9839039.000000      IX1 IX92       peak156    
peak189       long     23.268999  12.891000   0.725000       6021321.000000      IX1 IX92       peak170    
peak190      short     26.097000  12.892000   0.722000      49168776.000000          IX92       peak107    
peak191       long     24.243000  21.941000   0.910000      16347846.000000    VX27.1 VX93.2        peak29    
peak192       long     23.271000  21.922001   0.911000      13618435.000000    VX27.1 VX93.2    No symmetry matches
peak194      short     21.584000  21.858999   0.911000      75856408.000000        VX93.2    geminal cluster
peak195       long     21.076000  21.979000   0.912000       8431231.000000    VX27.1 VX93.2        peak22    
---------------------------------------------------------------------------------------

Resonance assignments statistics (at the residue level)
===========================================================
[no. of valid assignment options=1]:31  | ▧▧▧▧▧▧▧▧▧▧▧▧▧▧▧▧▧▧▧▧▧▧▧▧▧▧▧▧▧▧▧
[no. of valid assignment options=2]:4   | ▧▧▧▧
[no. of valid assignment options=3]:0   | 
[no. of valid assignment options=4]:0   | 
[no. of valid assignment options>4]:0   | 

Resonance assignments
==============================
Label               Residue Type   Forced assignments            Carbon    Hydrogen  Valid assignment options      

IX1                 I                                            12.741000 0.738000  I1                            
IX7                 I                                            15.138000 0.701000  I7                            
VX9?                V                                            21.075001 0.917000  V9?                           
VX9?                V                                            24.263000 0.975000  V9?                           
AX15                A                                            19.898001 1.693000  A15                           
LX23?               L                                            20.724001 -0.580000 L23?                          
LX23?               L                                            26.188000 0.015000  L23?                          
VX27?               V                                            22.072001 0.914000  V27?                          
VX27?               V                                            23.663000 0.747000  V27?                          
IX35                I                                            12.899000 -0.549000 I35                           
VX37?               V                                            21.576000 0.238000  V37?                          
VX37?               V                                            21.728001 0.490000  V37?                          
LX39?               L                                            24.833000 0.742000  L39?                          
LX39?               L                                            26.212999 0.720000  L39?                          
LX40?               L                                            26.091999 0.589000  L40?                          
LX40?               L                                            22.407000 0.384000  L40?                          
IX46                I                                            13.691000 0.827000  I46                           
VX49?               V                                            22.558001 1.088000  V49?                          
VX49?               V                                            21.440001 1.020000  V49?                          
LX54?               L                                            25.907000 0.870000  L54? L65?                     
LX54?               L                                            24.270000 1.075000  L54? L65?                     
LX64?               L                                            25.941000 1.056000  L64?                          
LX64?               L                                            25.670000 0.982000  L64?                          
LX65?               L                                            23.938999 1.042000  L54? L65?                     
LX65?               L                                            25.954000 0.776000  L54? L65?                     
AX79                A                                            24.177999 1.190000  A79                           
VX82?               V                                            21.646000 0.587000  V82?                          
VX82?               V                                            23.263000 0.796000  V82?                          
VX85?               V                                            20.781000 0.860000  V85?                          
VX85?               V                                            19.701000 0.576000  V85?                          
LX87?               L                                            26.681999 0.949000  L87?                          
LX87?               L                                            23.283001 0.960000  L87?                          
IX92                I                                            12.886000 0.722000  I92                           
VX93?               V                                            21.566999 1.030000  V93?                          
VX93?               V                                            21.906000 0.911000  V93?                          
---------------------------------------------------------------------------------------

