Content for NMR-STAR saveframe, "theoretical_heteronucl_NOEs_2_700NOE"

    save_theoretical_heteronucl_NOEs_2_700NOE
   _Theoretical_heteronucl_NOE_list.Sf_category                   theoretical_heteronucl_NOEs
   _Theoretical_heteronucl_NOE_list.Sf_framecode                  theoretical_heteronucl_NOEs_2_700NOE
   _Theoretical_heteronucl_NOE_list.Entry_ID                      50166
   _Theoretical_heteronucl_NOE_list.ID                            2
   _Theoretical_heteronucl_NOE_list.Name                          700NOE
   _Theoretical_heteronucl_NOE_list.Sample_condition_list_ID      1
   _Theoretical_heteronucl_NOE_list.Sample_condition_list_label   $sample_conditions_1_P2MIN_15N_labelled
   _Theoretical_heteronucl_NOE_list.Spectrometer_frequency_1H     700
   _Theoretical_heteronucl_NOE_list.Heteronuclear_NOE_val_type    'relative intensities'
   _Theoretical_heteronucl_NOE_list.NOE_ref_val                   0
   _Theoretical_heteronucl_NOE_list.NOE_ref_description           .
   _Theoretical_heteronucl_NOE_list.Details                       .
   _Theoretical_heteronucl_NOE_list.Text_data_format              text
   _Theoretical_heteronucl_NOE_list.Text_data
;
# Parameter description:  The steady-state NOE value.
#
# mol_name    res_num    res_name    spin_num    spin_name    value                   error                   
P2MIN         1          M           1           N            None                    None                    
P2MIN         2          T           2           N            None                    None                    
P2MIN         3          S           3           N               0.262248520166253      0.0163300143563571    
P2MIN         4          E           4           N               0.372534190675033      0.0168288358012792    
P2MIN         5          W           5           N               0.572718478564856      0.0332690442551689    
P2MIN         6          E           6           N               0.762398394121486      0.0416809187589973    
P2MIN         7          L           7           N               0.758739707840477       0.048991555461737    
P2MIN         8          F           8           N               0.915309092033925      0.0537201465874329    
P2MIN         9          I           9           N               0.731404336064243      0.0586016560977739    
P2MIN         10         Y           10          N               0.781092053172302      0.0348839005248656    
P2MIN         11         K           11          N            None                    None                    
P2MIN         12         L           12          N               0.746392112674466      0.0330259765352525    
P2MIN         13         K           13          N            None                    None                    
P2MIN         14         A           14          N            None                    None                    
P2MIN         15         D           15          N            None                    None                    
P2MIN         16         K           16          N            None                    None                    
P2MIN         17         W           17          N            None                    None                    
P2MIN         18         C           18          N            None                    None                    
P2MIN         19         I           19          N               0.882278534930453      0.0574301049954114    
P2MIN         20         G           20          N               0.801596691253001      0.0752216115013232    
P2MIN         21         E           21          N               0.879107246103992      0.0369252825481134    
P2MIN         22         P           22          N            None                    None                    
P2MIN         23         L           23          N               0.738245158228915      0.0396512160584306    
P2MIN         24         R           24          N                 0.9103830692701      0.0545792905760045    
P2MIN         25         N           25          N               0.822054373245855      0.0385668502440723    
P2MIN         26         L           26          N               0.769883976324546      0.0358785670586275    
P2MIN         27         F           27          N               0.525723970123775      0.0427760145105985    
P2MIN         28         M           28          N                0.66398281858161      0.0358682721931678    
P2MIN         29         P           29          N            None                    None                    
P2MIN         30         E           30          N               0.747210629867769      0.0289102021690098    
P2MIN         31         G           31          N               0.715987571205115      0.0370650962198549    
P2MIN         32         T           32          N               0.768552349719421      0.0360220516062756    
P2MIN         33         R           33          N               0.691650570836533      0.0380453972853892    
P2MIN         34         I           34          N               0.718482314512002      0.0367124547481174    
P2MIN         35         A           35          N               0.944183501460268      0.0783610894829385    
P2MIN         36         A           36          N                0.87394722121253      0.0487826333451952    
P2MIN         37         V           37          N               0.670814071063197      0.0285401441177773    
P2MIN         38         F           38          N                1.00460389789618       0.074715747556822    
P2MIN         39         R           39          N               0.824564848175455      0.0624855181745447    
P2MIN         40         D           40          N               0.831326302009432      0.0546402228743144    
P2MIN         41         N           41          N               0.666479505689936      0.0605149662781609    
P2MIN         42         Q           42          N               0.754758645412374      0.0425698551400018    
P2MIN         43         L           43          N               0.753643000610019      0.0394654356310664    
P2MIN         44         L           44          N               0.765176878063621      0.0686424704924386    
P2MIN         45         H           45          N               0.724732740962179      0.0317462063271273    
P2MIN         46         P           46          N            None                    None                    
P2MIN         47         S           47          N               0.474122734368727      0.0397564931123578    
P2MIN         48         G           48          N            None                    None                    
P2MIN         49         S           49          N               0.840494920612829      0.0554706146681873    
P2MIN         50         T           50          N               0.755453844232602       0.022991692718238    
P2MIN         51         E           51          N                 0.6603791718662       0.034327640061478    
P2MIN         52         L           52          N               0.557494895642737      0.0515067649763099    
P2MIN         53         C           53          N               0.896528810227419      0.0547824860381465    
P2MIN         54         E           54          N               0.839165247130808      0.0492008423026496    
P2MIN         55         G           55          N                0.80483112802192      0.0535419573120702    
P2MIN         56         D           56          N               0.803209526193592      0.0313849623290265    
P2MIN         57         T           57          N               0.862385043606012      0.0435863539026804    
P2MIN         58         L           58          N               0.937125785535896      0.0678879051141682    
P2MIN         59         C           59          N              -0.807867584449047      0.0442989507120276    
P2MIN         60         V           60          N               0.850211954298907       0.054463566273671    
P2MIN         61         M           61          N               0.868591192607699      0.0547219214913892    
P2MIN         62         A           62          N               0.757592276453975      0.0533333353961406    
P2MIN         63         Q           63          N               0.768660154785518      0.0556827838358563    
P2MIN         64         E           64          N               0.764254136848378       0.029907051299457    
P2MIN         65         R           65          N               0.782482653601738      0.0282472760459028    
P2MIN         66         D           66          N               0.773833494079504       0.025373494895286    
P2MIN         67         L           67          N               0.778900030163707      0.0238962707530928    
P2MIN         68         E           68          N               0.604638980865009      0.0306660179034484    
P2MIN         69         S           69          N               0.735811943530283      0.0247151703521125    
P2MIN         70         L           70          N               0.509359624279429      0.0243804062691932    
P2MIN         71         S           71          N               0.783528043655091      0.0353892302527643    
P2MIN         72         R           72          N               0.384119327289595      0.0752539625844007    
P2MIN         73         L           73          N               0.389154211293753      0.0179183312350741    
P2MIN         74         F           74          N               0.782515200949132      0.0994596054510542    
P2MIN         75         S           75          N            None                    None                    
P2MIN         76         E           76          N            None                    None                    
P2MIN         77         A           77          N               0.778887542583566       0.036443752370105    
P2MIN         78         P           78          N            None                    None                    
P2MIN         79         E           79          N            None                    None                    
P2MIN         80         K           80          N               0.454864191687802      0.0315782266194031    
P2MIN         81         A           81          N               0.474780844208686       0.129247928583718    
P2MIN         82         S           82          N               0.556323433389361      0.0373687727714058    
P2MIN         83         L           83          N            None                    None                    
P2MIN         84         A           84          N               0.670114037617106      0.0396514083543308    
P2MIN         85         R           85          N               0.745676074119434      0.0578363225937075    
P2MIN         86         F           86          N               0.719530743539777      0.0825870016989652    
P2MIN         87         F           87          N               0.814300572517787       0.144648844652336    
P2MIN         88         G           88          N            None                    None                    
P2MIN         89         D           89          N               0.728935049194156      0.0805600932120357    
P2MIN         90         F           90          N                0.81991788767101       0.118612137053235    
P2MIN         91         F           91          N               0.694651767337752       0.056695789312862    
P2MIN         92         L           92          N               0.736604035261504       0.104768697834078    
P2MIN         93         D           93          N               0.809646737351304      0.0588973801964887    
P2MIN         94         I           94          N               0.811303456532406      0.0366488985412704    
P2MIN         95         E           95          N               0.776363250117206      0.0191273432532234    
P2MIN         96         A           96          N               0.742816412829371      0.0209795788221059    
P2MIN         97         K           97          N               0.872267429138648      0.0286815297889117    
P2MIN         98         L           98          N               0.855553248063903       0.023845118562709    
P2MIN         99         Q           99          N               0.719304271090793      0.0546564159784327    
P2MIN         100        D           100         N               0.837462171138384      0.0223347851887019    
P2MIN         101        V           101         N               0.867965466499295      0.0259010002492392    
P2MIN         102        A           102         N               0.646224131856859      0.0278897853733422    
P2MIN         103        L           103         N               0.787026383870953      0.0224218675119497    
P2MIN         104        L           104         N               0.697252382335809      0.0454272846071357    
P2MIN         105        Y           105         N               0.805645229613987      0.0316936545169594    
P2MIN         106        G           106         N               0.878927751371107      0.0314421153756289    
P2MIN         107        L           107         N               0.794794307683008      0.0325354368098347    
P2MIN         108        D           108         N               0.704623350473902      0.0187324878236533    
P2MIN         109        L           109         N               0.582459154446885      0.0242874983399743    
P2MIN         110        G           110         N               0.823810142444079      0.0721745573276296    
P2MIN         111        E           111         N               0.603828572181699      0.0143038173107125    
P2MIN         112        L           112         N               0.479759904900519      0.0277824567755847    
P2MIN         113        E           113         N                0.50265317874045      0.0266808592305921    
P2MIN         114        A           114         N               0.713668480403042       0.038120266912337    
P2MIN         115        D           115         N               0.631372090657221      0.0159898097869747    
P2MIN         116        A           116         N               0.673156161844894      0.0121714303889836    
P2MIN         117        K           117         N               0.790226746562478      0.0271884849945073    
P2MIN         118        L           118         N               0.779632176180647       0.033733524825065    
P2MIN         119        K           119         N                0.83854737423011      0.0353000599772079    
P2MIN         120        D           120         N               0.814231840903738      0.0344006036390301    
P2MIN         121        L           121         N               0.858172172965277      0.0273272650263746    
P2MIN         122        V           122         N               0.779559186794258      0.0200595239705431    
P2MIN         123        L           123         N               0.820209268899602      0.0212886183953435    
P2MIN         124        E           124         N               0.795780663437686      0.0177177691208868    
P2MIN         125        H           125         N               0.838942766348383      0.0307588756386519    
P2MIN         126        L           126         N               0.726195016484144      0.0285251668990973    
P2MIN         127        G           127         N               0.852560101958725      0.0225533682728005    
P2MIN         128        E           128         N               0.742854932375984      0.0154092557543224    
P2MIN         129        T           129         N               0.678837483259759      0.0154557577655075    
P2MIN         130        P           130         N            None                    None                    
P2MIN         131        V           131         N               0.767145022562739      0.0267901827150984    
P2MIN         132        L           132         N               0.574652886036015      0.0249720188618218    
P2MIN         133        G           133         N            None                    None                    
P2MIN         134        D           134         N               0.611274737100266       0.029140027729806    
P2MIN         135        Y           135         N               0.801265721727057      0.0416582818098732    
P2MIN         136        F           136         N               0.858531518085327      0.0363515559812086    
P2MIN         137        E           137         N               0.815007802953215       0.037383014082588    
P2MIN         138        W           138         N               0.897625495939274      0.0316982099023959    
P2MIN         139        H           139         N               0.834789375373238      0.0373039754233336    
P2MIN         140        G           140         N               0.761348745098345      0.0280925259245115    
P2MIN         141        L           141         N               0.873544095891908      0.0279173133791301    
P2MIN         142        Q           142         N               0.780209587776587      0.0651502367564628    
P2MIN         143        W           143         N               0.786951025064184      0.0406724862692831    
P2MIN         144        V           144         N               0.730590998435939      0.0620091053251077    
P2MIN         145        V           145         N               0.889306642238701      0.0503964570588444    
P2MIN         146        A           146         N               0.675415943392078      0.0807613822416673    
P2MIN         147        D           147         N               0.949220796806025      0.0604487107085494    
P2MIN         148        V           148         N               0.815944550492101      0.0273673492505325    
P2MIN         149        V           149         N               0.777604173019568      0.0287102476368078    
P2MIN         150        D           150         N               0.779831247789081      0.0302065552562901    
P2MIN         151        W           151         N               0.702221198986764      0.0293637615929777    
P2MIN         152        K           152         N               0.707749147312239      0.0163736879929436    
P2MIN         153        V           153         N               0.581460604090849      0.0177116297844014    
P2MIN         154        T           154         N               0.714565399779653      0.0226085656725129    
P2MIN         155        K           155         N                0.83428161401708      0.0422201491992688    
P2MIN         156        I           156         N               0.759667917570856      0.0458125279968137    
P2MIN         157        G           157         N            None                    None                    
P2MIN         158        L           158         N            None                    None                    
P2MIN         159        R           159         N               0.724232519161341      0.0682755823014274    
P2MIN         160        E           160         N                0.64047941151783      0.0349042730828159    
P2MIN         161        N           161         N               0.779019225210413       0.090697416191589    
P2MIN         162        L           162         N               0.652352819356143      0.0543692311984304    
P2MIN         163        Y           163         N               0.532206769739063      0.0306320691741613    
P2MIN         164        F           164         N               0.718294137916916      0.0706116834383932    
P2MIN         165        Q           165         N               0.335931138309345      0.0213769132094371
;

   loop_
      _Theoretical_heteronucl_NOE_software.Software_ID
      _Theoretical_heteronucl_NOE_software.Software_label
      _Theoretical_heteronucl_NOE_software.Method_ID
      _Theoretical_heteronucl_NOE_software.Method_label
      _Theoretical_heteronucl_NOE_software.Entry_ID
      _Theoretical_heteronucl_NOE_software.Theoretical_heteronucl_NOE_list_ID

      7   $software_8_Relax   .   .   50166   2
   stop_
save_