AS object created. control filepath is: /data/PSVS/PSVS-v1.4-dev/results/SGR42_R3Cons_em_bcr3/rpf_calc/input/ctrl_file

bmrb: chem_shift.bmrb
sequence: SGR42_R3Cons_em_bcr3_seq.bmrb
parsing bmrb: /data/PSVS/PSVS-v1.4-dev/results/SGR42_R3Cons_em_bcr3/rpf_calc/input/chem_shift.bmrb
new residue 1 
adding: *1* *1* *Met* *HA* *H* *4.086* *.* *1*
old residue 1 
adding: *2* *1* *Met* *HB2* *H* *2.087* *.* *2*
old residue 1 
adding: *3* *1* *Met* *HB3* *H* *2.026* *.* *2*
old residue 1 
adding: *4* *1* *Met* *HG2* *H* *2.537* *.* *2*
old residue 1 
adding: *5* *1* *Met* *HG3* *H* *2.440* *.* *2*
old residue 1 
adding: *6* *1* *Met* *HE* *H* *2.064* *.* *1*
old residue 1 
adding: *7* *1* *Met* *C* *C* *171.914* *.* *1*
old residue 1 
adding: *8* *1* *Met* *CA* *C* *54.725* *.* *1*
old residue 1 
adding: *9* *1* *Met* *CB* *C* *33.215* *.* *1*
old residue 1 
adding: *10* *1* *Met* *CG* *C* *31.024* *.* *1*
old residue 1 
adding: *11* *1* *Met* *CE* *C* *16.615* *.* *1*
new residue 2 
adding: *12* *2* *Ile* *H* *H* *8.404* *.* *1*
old residue 2 
adding: *13* *2* *Ile* *HA* *H* *3.812* *.* *1*
old residue 2 
adding: *14* *2* *Ile* *HB* *H* *1.671* *.* *1*
old residue 2 
adding: *15* *2* *Ile* *HG12* *H* *1.461* *.* *2*
old residue 2 
adding: *16* *2* *Ile* *HG13* *H* *0.982* *.* *2*
old residue 2 
adding: *17* *2* *Ile* *HG2* *H* *0.589* *.* *1*
old residue 2 
adding: *18* *2* *Ile* *HD1* *H* *0.644* *.* *1*
old residue 2 
adding: *19* *2* *Ile* *C* *C* *172.798* *.* *1*
old residue 2 
adding: *20* *2* *Ile* *CA* *C* *61.060* *.* *1*
old residue 2 
adding: *21* *2* *Ile* *CB* *C* *37.901* *.* *1*
old residue 2 
adding: *22* *2* *Ile* *CG1* *C* *27.572* *.* *1*
old residue 2 
adding: *23* *2* *Ile* *CG2* *C* *18.385* *.* *1*
old residue 2 
adding: *24* *2* *Ile* *CD1* *C* *12.705* *.* *1*
old residue 2 
adding: *25* *2* *Ile* *N* *N* *122.568* *.* *1*
new residue 3 
adding: *26* *3* *Phe* *H* *H* *6.737* *.* *1*
old residue 3 
adding: *27* *3* *Phe* *HA* *H* *5.014* *.* *1*
old residue 3 
adding: *28* *3* *Phe* *HB2* *H* *2.901* *.* *1*
old residue 3 
adding: *29* *3* *Phe* *HB3* *H* *3.082* *.* *1*
old residue 3 
adding: *30* *3* *Phe* *HD1* *H* *7.152* *.* *1*
old residue 3 
adding: *31* *3* *Phe* *HD2* *H* *7.152* *.* *1*
old residue 3 
adding: *32* *3* *Phe* *HE1* *H* *7.282* *.* *1*
old residue 3 
adding: *33* *3* *Phe* *HE2* *H* *7.282* *.* *1*
old residue 3 
adding: *34* *3* *Phe* *HZ* *H* *7.308* *.* *1*
old residue 3 
adding: *35* *3* *Phe* *CA* *C* *53.821* *.* *1*
old residue 3 
adding: *36* *3* *Phe* *CB* *C* *39.219* *.* *1*
old residue 3 
adding: *37* *3* *Phe* *CD1* *C* *132.575* *.* *1*
old residue 3 
adding: *38* *3* *Phe* *CE1* *C* *130.968* *.* *1*
old residue 3 
adding: *39* *3* *Phe* *CZ* *C* *129.764* *.* *1*
old residue 3 
adding: *40* *3* *Phe* *N* *N* *122.170* *.* *1*
new residue 4 
adding: *41* *4* *Pro* *HA* *H* *3.867* *.* *1*
old residue 4 
adding: *42* *4* *Pro* *HB2* *H* *2.128* *.* *2*
old residue 4 
adding: *43* *4* *Pro* *HB3* *H* *1.971* *.* *2*
old residue 4 
adding: *44* *4* *Pro* *HG2* *H* *2.369* *.* *2*
old residue 4 
adding: *45* *4* *Pro* *HG3* *H* *1.692* *.* *2*
old residue 4 
adding: *46* *4* *Pro* *HD2* *H* *3.786* *.* *2*
old residue 4 
adding: *47* *4* *Pro* *HD3* *H* *3.786* *.* *2*
old residue 4 
adding: *48* *4* *Pro* *C* *C* *176.282* *.* *1*
old residue 4 
adding: *49* *4* *Pro* *CA* *C* *63.893* *.* *1*
old residue 4 
adding: *50* *4* *Pro* *CB* *C* *31.028* *.* *1*
old residue 4 
adding: *51* *4* *Pro* *CG* *C* *28.899* *.* *1*
old residue 4 
adding: *52* *4* *Pro* *CD* *C* *50.760* *.* *1*
new residue 5 
adding: *53* *5* *Gly* *H* *H* *9.018* *.* *1*
old residue 5 
adding: *54* *5* *Gly* *HA2* *H* *4.515* *.* *2*
old residue 5 
adding: *55* *5* *Gly* *HA3* *H* *3.564* *.* *2*
old residue 5 
adding: *56* *5* *Gly* *C* *C* *173.977* *.* *1*
old residue 5 
adding: *57* *5* *Gly* *CA* *C* *44.363* *.* *1*
old residue 5 
adding: *58* *5* *Gly* *N* *N* *113.008* *.* *1*
new residue 6 
adding: *59* *6* *Ala* *H* *H* *7.782* *.* *1*
old residue 6 
adding: *60* *6* *Ala* *HA* *H* *4.234* *.* *1*
old residue 6 
adding: *61* *6* *Ala* *HB* *H* *1.031* *.* *1*
old residue 6 
adding: *62* *6* *Ala* *C* *C* *176.657* *.* *1*
old residue 6 
adding: *63* *6* *Ala* *CA* *C* *52.071* *.* *1*
old residue 6 
adding: *64* *6* *Ala* *CB* *C* *18.634* *.* *1*
old residue 6 
adding: *65* *6* *Ala* *N* *N* *122.579* *.* *1*
new residue 7 
adding: *66* *7* *Thr* *H* *H* *8.528* *.* *1*
old residue 7 
adding: *67* *7* *Thr* *HA* *H* *5.065* *.* *1*
old residue 7 
adding: *68* *7* *Thr* *HB* *H* *3.995* *.* *1*
old residue 7 
adding: *69* *7* *Thr* *HG2* *H* *1.126* *.* *1*
old residue 7 
adding: *70* *7* *Thr* *C* *C* *174.650* *.* *1*
old residue 7 
adding: *71* *7* *Thr* *CA* *C* *62.562* *.* *1*
old residue 7 
adding: *72* *7* *Thr* *CB* *C* *68.841* *.* *1*
old residue 7 
adding: *73* *7* *Thr* *CG2* *C* *21.022* *.* *1*
old residue 7 
adding: *74* *7* *Thr* *N* *N* *118.546* *.* *1*
new residue 8 
adding: *75* *8* *Val* *H* *H* *9.030* *.* *1*
old residue 8 
adding: *76* *8* *Val* *HA* *H* *5.356* *.* *1*
old residue 8 
adding: *77* *8* *Val* *HB* *H* *1.865* *.* *1*
old residue 8 
adding: *78* *8* *Val* *HG1* *H* *0.571* *.* *1*
old residue 8 
adding: *79* *8* *Val* *HG2* *H* *0.538* *.* *1*
old residue 8 
adding: *80* *8* *Val* *C* *C* *173.129* *.* *1*
old residue 8 
adding: *81* *8* *Val* *CA* *C* *57.474* *.* *1*
old residue 8 
adding: *82* *8* *Val* *CB* *C* *36.130* *.* *1*
old residue 8 
adding: *83* *8* *Val* *CG1* *C* *22.242* *.* *1*
old residue 8 
adding: *84* *8* *Val* *CG2* *C* *19.260* *.* *1*
old residue 8 
adding: *85* *8* *Val* *N* *N* *117.547* *.* *1*
new residue 9 
adding: *86* *9* *Arg* *H* *H* *8.921* *.* *1*
old residue 9 
adding: *87* *9* *Arg* *HA* *H* *5.469* *.* *1*
old residue 9 
adding: *88* *9* *Arg* *HB2* *H* *1.580* *.* *2*
old residue 9 
adding: *89* *9* *Arg* *HB3* *H* *1.513* *.* *2*
old residue 9 
adding: *90* *9* *Arg* *HG2* *H* *1.350* *.* *2*
old residue 9 
adding: *91* *9* *Arg* *HG3* *H* *1.306* *.* *2*
old residue 9 
adding: *92* *9* *Arg* *HD2* *H* *3.036* *.* *2*
old residue 9 
adding: *93* *9* *Arg* *HD3* *H* *3.089* *.* *2*
old residue 9 
adding: *94* *9* *Arg* *HE* *H* *7.355* *.* *1*
old residue 9 
adding: *95* *9* *Arg* *C* *C* *175.404* *.* *1*
old residue 9 
adding: *96* *9* *Arg* *CA* *C* *52.542* *.* *1*
old residue 9 
adding: *97* *9* *Arg* *CB* *C* *34.578* *.* *1*
old residue 9 
adding: *98* *9* *Arg* *CG* *C* *26.955* *.* *1*
old residue 9 
adding: *99* *9* *Arg* *CD* *C* *43.305* *.* *1*
old residue 9 
adding: *100* *9* *Arg* *N* *N* *118.296* *.* *1*
old residue 9 
adding: *101* *9* *Arg* *NE* *N* *83.825* *.* *1*
new residue 10 
adding: *102* *10* *Val* *H* *H* *7.948* *.* *1*
old residue 10 
adding: *103* *10* *Val* *HA* *H* *4.314* *.* *1*
old residue 10 
adding: *104* *10* *Val* *HB* *H* *2.465* *.* *1*
old residue 10 
adding: *105* *10* *Val* *HG1* *H* *0.932* *.* *1*
old residue 10 
adding: *106* *10* *Val* *HG2* *H* *0.424* *.* *1*
old residue 10 
adding: *107* *10* *Val* *C* *C* *178.552* *.* *1*
old residue 10 
adding: *108* *10* *Val* *CA* *C* *62.103* *.* *1*
old residue 10 
adding: *109* *10* *Val* *CB* *C* *31.234* *.* *1*
old residue 10 
adding: *110* *10* *Val* *CG1* *C* *20.555* *.* *1*
old residue 10 
adding: *111* *10* *Val* *CG2* *C* *20.839* *.* *1*
old residue 10 
adding: *112* *10* *Val* *N* *N* *123.758* *.* *1*
new residue 11 
adding: *113* *11* *Thr* *H* *H* *9.010* *.* *1*
old residue 11 
adding: *114* *11* *Thr* *HA* *H* *4.525* *.* *1*
old residue 11 
adding: *115* *11* *Thr* *HB* *H* *4.508* *.* *1*
old residue 11 
adding: *116* *11* *Thr* *HG2* *H* *1.049* *.* *1*
old residue 11 
adding: *117* *11* *Thr* *C* *C* *174.162* *.* *1*
old residue 11 
adding: *118* *11* *Thr* *CA* *C* *61.475* *.* *1*
old residue 11 
adding: *119* *11* *Thr* *CB* *C* *68.695* *.* *1*
old residue 11 
adding: *120* *11* *Thr* *CG2* *C* *22.263* *.* *1*
old residue 11 
adding: *121* *11* *Thr* *N* *N* *119.053* *.* *1*
new residue 12 
adding: *122* *12* *Asn* *H* *H* *6.705* *.* *1*
old residue 12 
adding: *123* *12* *Asn* *HA* *H* *4.772* *.* *1*
old residue 12 
adding: *124* *12* *Asn* *HB2* *H* *2.916* *.* *2*
old residue 12 
adding: *125* *12* *Asn* *HB3* *H* *2.916* *.* *2*
old residue 12 
adding: *126* *12* *Asn* *HD21* *H* *8.732* *.* *1*
old residue 12 
adding: *127* *12* *Asn* *HD22* *H* *7.106* *.* *1*
old residue 12 
adding: *128* *12* *Asn* *C* *C* *175.158* *.* *1*
old residue 12 
adding: *129* *12* *Asn* *CA* *C* *52.557* *.* *1*
old residue 12 
adding: *130* *12* *Asn* *CB* *C* *38.124* *.* *1*
old residue 12 
adding: *131* *12* *Asn* *N* *N* *119.138* *.* *1*
old residue 12 
adding: *132* *12* *Asn* *ND2* *N* *112.575* *.* *1*
new residue 13 
adding: *133* *13* *Val* *H* *H* *7.956* *.* *1*
old residue 13 
adding: *134* *13* *Val* *HA* *H* *2.231* *.* *1*
old residue 13 
adding: *135* *13* *Val* *HB* *H* *1.637* *.* *1*
old residue 13 
adding: *136* *13* *Val* *HG1* *H* *0.696* *.* *2*
old residue 13 
adding: *137* *13* *Val* *HG2* *H* *0.696* *.* *2*
old residue 13 
adding: *138* *13* *Val* *C* *C* *175.624* *.* *1*
old residue 13 
adding: *139* *13* *Val* *CA* *C* *62.567* *.* *1*
old residue 13 
adding: *140* *13* *Val* *CB* *C* *31.521* *.* *1*
old residue 13 
adding: *141* *13* *Val* *CG1* *C* *20.159* *.* *2*
old residue 13 
adding: *142* *13* *Val* *CG2* *C* *20.159* *.* *2*
old residue 13 
adding: *143* *13* *Val* *N* *N* *124.955* *.* *1*
new residue 14 
adding: *144* *14* *Asp* *H* *H* *7.544* *.* *1*
old residue 14 
adding: *145* *14* *Asp* *HA* *H* *4.612* *.* *1*
old residue 14 
adding: *146* *14* *Asp* *HB2* *H* *2.790* *.* *2*
old residue 14 
adding: *147* *14* *Asp* *HB3* *H* *2.459* *.* *2*
old residue 14 
adding: *148* *14* *Asp* *C* *C* *175.651* *.* *1*
old residue 14 
adding: *149* *14* *Asp* *CA* *C* *54.126* *.* *1*
old residue 14 
adding: *150* *14* *Asp* *CB* *C* *41.234* *.* *1*
old residue 14 
adding: *151* *14* *Asp* *N* *N* *117.348* *.* *1*
new residue 15 
adding: *152* *15* *Asp* *H* *H* *7.668* *.* *1*
old residue 15 
adding: *153* *15* *Asp* *HA* *H* *4.683* *.* *1*
old residue 15 
adding: *154* *15* *Asp* *HB2* *H* *2.579* *.* *1*
old residue 15 
adding: *155* *15* *Asp* *HB3* *H* *2.732* *.* *1*
old residue 15 
adding: *156* *15* *Asp* *C* *C* *177.380* *.* *1*
old residue 15 
adding: *157* *15* *Asp* *CA* *C* *54.173* *.* *1*
old residue 15 
adding: *158* *15* *Asp* *CB* *C* *45.096* *.* *1*
old residue 15 
adding: *159* *15* *Asp* *N* *N* *121.775* *.* *1*
new residue 16 
adding: *160* *16* *Thr* *H* *H* *8.588* *.* *1*
old residue 16 
adding: *161* *16* *Thr* *HA* *H* *3.797* *.* *1*
old residue 16 
adding: *162* *16* *Thr* *HB* *H* *3.618* *.* *1*
old residue 16 
adding: *163* *16* *Thr* *HG2* *H* *0.634* *.* *1*
old residue 16 
adding: *164* *16* *Thr* *C* *C* *174.808* *.* *1*
old residue 16 
adding: *165* *16* *Thr* *CA* *C* *65.658* *.* *1*
old residue 16 
adding: *166* *16* *Thr* *CB* *C* *69.263* *.* *1*
old residue 16 
adding: *167* *16* *Thr* *CG2* *C* *21.003* *.* *1*
old residue 16 
adding: *168* *16* *Thr* *N* *N* *124.360* *.* *1*
new residue 17 
adding: *169* *17* *Tyr* *H* *H* *9.797* *.* *1*
old residue 17 
adding: *170* *17* *Tyr* *HA* *H* *3.917* *.* *1*
old residue 17 
adding: *171* *17* *Tyr* *HB2* *H* *2.814* *.* *2*
old residue 17 
adding: *172* *17* *Tyr* *HB3* *H* *2.814* *.* *2*
old residue 17 
adding: *173* *17* *Tyr* *HD1* *H* *6.386* *.* *1*
old residue 17 
adding: *174* *17* *Tyr* *HD2* *H* *6.386* *.* *1*
old residue 17 
adding: *175* *17* *Tyr* *HE1* *H* *6.494* *.* *1*
old residue 17 
adding: *176* *17* *Tyr* *HE2* *H* *6.494* *.* *1*
old residue 17 
adding: *177* *17* *Tyr* *C* *C* *174.354* *.* *1*
old residue 17 
adding: *178* *17* *Tyr* *CA* *C* *57.816* *.* *1*
old residue 17 
adding: *179* *17* *Tyr* *CB* *C* *36.777* *.* *1*
old residue 17 
adding: *180* *17* *Tyr* *CD1* *C* *132.812* *.* *1*
old residue 17 
adding: *181* *17* *Tyr* *CE1* *C* *117.290* *.* *1*
old residue 17 
adding: *182* *17* *Tyr* *N* *N* *119.764* *.* *1*
new residue 18 
adding: *183* *18* *Tyr* *H* *H* *7.553* *.* *1*
old residue 18 
adding: *184* *18* *Tyr* *HA* *H* *3.974* *.* *1*
old residue 18 
adding: *185* *18* *Tyr* *HB2* *H* *3.829* *.* *2*
old residue 18 
adding: *186* *18* *Tyr* *HB3* *H* *2.685* *.* *2*
old residue 18 
adding: *187* *18* *Tyr* *HD1* *H* *6.910* *.* *1*
old residue 18 
adding: *188* *18* *Tyr* *HD2* *H* *6.910* *.* *1*
old residue 18 
adding: *189* *18* *Tyr* *HE1* *H* *6.730* *.* *1*
old residue 18 
adding: *190* *18* *Tyr* *HE2* *H* *6.730* *.* *1*
old residue 18 
adding: *191* *18* *Tyr* *C* *C* *176.537* *.* *1*
old residue 18 
adding: *192* *18* *Tyr* *CA* *C* *59.454* *.* *1*
old residue 18 
adding: *193* *18* *Tyr* *CB* *C* *37.665* *.* *1*
old residue 18 
adding: *194* *18* *Tyr* *CD1* *C* *133.015* *.* *1*
old residue 18 
adding: *195* *18* *Tyr* *CE1* *C* *118.142* *.* *1*
old residue 18 
adding: *196* *18* *Tyr* *N* *N* *120.582* *.* *1*
new residue 19 
adding: *197* *19* *Arg* *H* *H* *8.454* *.* *1*
old residue 19 
adding: *198* *19* *Arg* *HA* *H* *3.273* *.* *1*
old residue 19 
adding: *199* *19* *Arg* *HB2* *H* *1.846* *.* *2*
old residue 19 
adding: *200* *19* *Arg* *HB3* *H* *1.696* *.* *2*
old residue 19 
adding: *201* *19* *Arg* *HG2* *H* *0.225* *.* *2*
old residue 19 
adding: *202* *19* *Arg* *HG3* *H* *0.754* *.* *2*
old residue 19 
adding: *203* *19* *Arg* *HD2* *H* *2.809* *.* *2*
old residue 19 
adding: *204* *19* *Arg* *HD3* *H* *2.809* *.* *2*
old residue 19 
adding: *205* *19* *Arg* *HE* *H* *6.825* *.* *1*
old residue 19 
adding: *206* *19* *Arg* *C* *C* *175.952* *.* *1*
old residue 19 
adding: *207* *19* *Arg* *CA* *C* *59.502* *.* *1*
old residue 19 
adding: *208* *19* *Arg* *CB* *C* *27.991* *.* *1*
old residue 19 
adding: *209* *19* *Arg* *CG* *C* *26.799* *.* *1*
old residue 19 
adding: *210* *19* *Arg* *CD* *C* *43.320* *.* *1*
old residue 19 
adding: *211* *19* *Arg* *N* *N* *119.027* *.* *1*
old residue 19 
adding: *212* *19* *Arg* *NE* *N* *84.625* *.* *1*
new residue 20 
adding: *213* *20* *Phe* *H* *H* *8.924* *.* *1*
old residue 20 
adding: *214* *20* *Phe* *HA* *H* *4.378* *.* *1*
old residue 20 
adding: *215* *20* *Phe* *HB2* *H* *3.388* *.* *1*
old residue 20 
adding: *216* *20* *Phe* *HB3* *H* *2.660* *.* *1*
old residue 20 
adding: *217* *20* *Phe* *HD1* *H* *6.950* *.* *1*
old residue 20 
adding: *218* *20* *Phe* *HD2* *H* *6.950* *.* *1*
old residue 20 
adding: *219* *20* *Phe* *HE1* *H* *7.249* *.* *1*
old residue 20 
adding: *220* *20* *Phe* *HE2* *H* *7.249* *.* *1*
old residue 20 
adding: *221* *20* *Phe* *HZ* *H* *7.155* *.* *1*
old residue 20 
adding: *222* *20* *Phe* *C* *C* *175.232* *.* *1*
old residue 20 
adding: *223* *20* *Phe* *CA* *C* *58.661* *.* *1*
old residue 20 
adding: *224* *20* *Phe* *CB* *C* *39.390* *.* *1*
old residue 20 
adding: *225* *20* *Phe* *CD1* *C* *130.850* *.* *1*
old residue 20 
adding: *226* *20* *Phe* *CE1* *C* *131.108* *.* *1*
old residue 20 
adding: *227* *20* *Phe* *CZ* *C* *129.496* *.* *1*
old residue 20 
adding: *228* *20* *Phe* *N* *N* *122.532* *.* *1*
new residue 21 
adding: *229* *21* *Glu* *H* *H* *8.447* *.* *1*
old residue 21 
adding: *230* *21* *Glu* *HA* *H* *5.803* *.* *1*
old residue 21 
adding: *231* *21* *Glu* *HB2* *H* *1.859* *.* *2*
old residue 21 
adding: *232* *21* *Glu* *HB3* *H* *1.859* *.* *2*
old residue 21 
adding: *233* *21* *Glu* *HG2* *H* *2.285* *.* *2*
old residue 21 
adding: *234* *21* *Glu* *HG3* *H* *2.004* *.* *2*
old residue 21 
adding: *235* *21* *Glu* *C* *C* *176.669* *.* *1*
old residue 21 
adding: *236* *21* *Glu* *CA* *C* *53.843* *.* *1*
old residue 21 
adding: *237* *21* *Glu* *CB* *C* *32.382* *.* *1*
old residue 21 
adding: *238* *21* *Glu* *CG* *C* *36.351* *.* *1*
old residue 21 
adding: *239* *21* *Glu* *N* *N* *118.146* *.* *1*
new residue 22 
adding: *240* *22* *Gly* *H* *H* *8.837* *.* *1*
old residue 22 
adding: *241* *22* *Gly* *HA2* *H* *4.602* *.* *2*
old residue 22 
adding: *242* *22* *Gly* *HA3* *H* *3.404* *.* *2*
old residue 22 
adding: *243* *22* *Gly* *C* *C* *170.740* *.* *1*
old residue 22 
adding: *244* *22* *Gly* *CA* *C* *45.091* *.* *1*
old residue 22 
adding: *245* *22* *Gly* *N* *N* *108.959* *.* *1*
new residue 23 
adding: *246* *23* *Leu* *H* *H* *7.980* *.* *1*
old residue 23 
adding: *247* *23* *Leu* *HA* *H* *5.035* *.* *1*
old residue 23 
adding: *248* *23* *Leu* *HB2* *H* *1.499* *.* *2*
old residue 23 
adding: *249* *23* *Leu* *HB3* *H* *1.396* *.* *2*
old residue 23 
adding: *250* *23* *Leu* *HG* *H* *1.420* *.* *1*
old residue 23 
adding: *251* *23* *Leu* *HD1* *H* *0.789* *.* *2*
old residue 23 
adding: *252* *23* *Leu* *HD2* *H* *0.789* *.* *2*
old residue 23 
adding: *253* *23* *Leu* *C* *C* *177.968* *.* *1*
old residue 23 
adding: *254* *23* *Leu* *CA* *C* *52.941* *.* *1*
old residue 23 
adding: *255* *23* *Leu* *CB* *C* *45.451* *.* *1*
old residue 23 
adding: *256* *23* *Leu* *CG* *C* *27.138* *.* *1*
old residue 23 
adding: *257* *23* *Leu* *CD1* *C* *24.515* *.* *2*
old residue 23 
adding: *258* *23* *Leu* *CD2* *C* *24.515* *.* *2*
old residue 23 
adding: *259* *23* *Leu* *N* *N* *119.401* *.* *1*
new residue 24 
adding: *260* *24* *Val* *H* *H* *9.150* *.* *1*
old residue 24 
adding: *261* *24* *Val* *HA* *H* *3.823* *.* *1*
old residue 24 
adding: *262* *24* *Val* *HB* *H* *2.196* *.* *1*
old residue 24 
adding: *263* *24* *Val* *HG1* *H* *0.536* *.* *1*
old residue 24 
adding: *264* *24* *Val* *HG2* *H* *0.789* *.* *1*
old residue 24 
adding: *265* *24* *Val* *C* *C* *176.514* *.* *1*
old residue 24 
adding: *266* *24* *Val* *CA* *C* *63.893* *.* *1*
old residue 24 
adding: *267* *24* *Val* *CB* *C* *31.331* *.* *1*
old residue 24 
adding: *268* *24* *Val* *CG1* *C* *22.781* *.* *1*
old residue 24 
adding: *269* *24* *Val* *CG2* *C* *24.480* *.* *1*
old residue 24 
adding: *270* *24* *Val* *N* *N* *125.985* *.* *1*
new residue 25 
adding: *271* *25* *Gln* *H* *H* *9.648* *.* *1*
old residue 25 
adding: *272* *25* *Gln* *HA* *H* *4.417* *.* *1*
old residue 25 
adding: *273* *25* *Gln* *HB2* *H* *2.183* *.* *2*
old residue 25 
adding: *274* *25* *Gln* *HB3* *H* *1.705* *.* *2*
old residue 25 
adding: *275* *25* *Gln* *HG2* *H* *2.221* *.* *2*
old residue 25 
adding: *276* *25* *Gln* *HG3* *H* *2.221* *.* *2*
old residue 25 
adding: *277* *25* *Gln* *HE21* *H* *6.586* *.* *2*
old residue 25 
adding: *278* *25* *Gln* *HE22* *H* *7.092* *.* *2*
old residue 25 
adding: *279* *25* *Gln* *C* *C* *175.395* *.* *1*
old residue 25 
adding: *280* *25* *Gln* *CA* *C* *56.015* *.* *1*
old residue 25 
adding: *281* *25* *Gln* *CB* *C* *30.662* *.* *1*
old residue 25 
adding: *282* *25* *Gln* *CG* *C* *34.420* *.* *1*
old residue 25 
adding: *283* *25* *Gln* *N* *N* *128.129* *.* *1*
old residue 25 
adding: *284* *25* *Gln* *NE2* *N* *112.986* *.* *1*
new residue 26 
adding: *285* *26* *Arg* *H* *H* *7.284* *.* *1*
old residue 26 
adding: *286* *26* *Arg* *HA* *H* *4.517* *.* *1*
old residue 26 
adding: *287* *26* *Arg* *HB2* *H* *1.756* *.* *2*
old residue 26 
adding: *288* *26* *Arg* *HB3* *H* *1.756* *.* *2*
old residue 26 
adding: *289* *26* *Arg* *HG2* *H* *1.537* *.* *2*
old residue 26 
adding: *290* *26* *Arg* *HG3* *H* *1.445* *.* *2*
old residue 26 
adding: *291* *26* *Arg* *HD2* *H* *3.130* *.* *2*
old residue 26 
adding: *292* *26* *Arg* *HD3* *H* *3.130* *.* *2*
old residue 26 
adding: *293* *26* *Arg* *HE* *H* *7.203* *.* *1*
old residue 26 
adding: *294* *26* *Arg* *C* *C* *173.639* *.* *1*
old residue 26 
adding: *295* *26* *Arg* *CA* *C* *55.190* *.* *1*
old residue 26 
adding: *296* *26* *Arg* *CB* *C* *33.647* *.* *1*
old residue 26 
adding: *297* *26* *Arg* *CG* *C* *27.098* *.* *1*
old residue 26 
adding: *298* *26* *Arg* *CD* *C* *42.927* *.* *1*
old residue 26 
adding: *299* *26* *Arg* *N* *N* *115.150* *.* *1*
old residue 26 
adding: *300* *26* *Arg* *NE* *N* *84.113* *.* *1*
new residue 27 
adding: *301* *27* *Val* *H* *H* *8.856* *.* *1*
old residue 27 
adding: *302* *27* *Val* *HA* *H* *4.813* *.* *1*
old residue 27 
adding: *303* *27* *Val* *HB* *H* *1.926* *.* *1*
old residue 27 
adding: *304* *27* *Val* *HG1* *H* *0.882* *.* *1*
old residue 27 
adding: *305* *27* *Val* *HG2* *H* *0.693* *.* *1*
old residue 27 
adding: *306* *27* *Val* *C* *C* *175.033* *.* *1*
old residue 27 
adding: *307* *27* *Val* *CA* *C* *61.408* *.* *1*
old residue 27 
adding: *308* *27* *Val* *CB* *C* *34.529* *.* *1*
old residue 27 
adding: *309* *27* *Val* *CG1* *C* *20.998* *.* *1*
old residue 27 
adding: *310* *27* *Val* *CG2* *C* *21.306* *.* *1*
old residue 27 
adding: *311* *27* *Val* *N* *N* *123.359* *.* *1*
new residue 28 
adding: *312* *28* *Ser* *H* *H* *8.781* *.* *1*
old residue 28 
adding: *313* *28* *Ser* *HA* *H* *4.556* *.* *1*
old residue 28 
adding: *314* *28* *Ser* *HB2* *H* *3.754* *.* *2*
old residue 28 
adding: *315* *28* *Ser* *HB3* *H* *3.754* *.* *2*
old residue 28 
adding: *316* *28* *Ser* *C* *C* *174.361* *.* *1*
old residue 28 
adding: *317* *28* *Ser* *CA* *C* *57.780* *.* *1*
old residue 28 
adding: *318* *28* *Ser* *CB* *C* *63.991* *.* *1*
old residue 28 
adding: *319* *28* *Ser* *N* *N* *119.413* *.* *1*
new residue 29 
adding: *320* *29* *Asp* *H* *H* *9.233* *.* *1*
old residue 29 
adding: *321* *29* *Asp* *HA* *H* *4.327* *.* *1*
old residue 29 
adding: *322* *29* *Asp* *HB2* *H* *2.903* *.* *2*
old residue 29 
adding: *323* *29* *Asp* *HB3* *H* *2.538* *.* *2*
old residue 29 
adding: *324* *29* *Asp* *C* *C* *175.710* *.* *1*
old residue 29 
adding: *325* *29* *Asp* *CA* *C* *55.165* *.* *1*
old residue 29 
adding: *326* *29* *Asp* *CB* *C* *39.851* *.* *1*
old residue 29 
adding: *327* *29* *Asp* *N* *N* *125.003* *.* *1*
new residue 30 
adding: *328* *30* *Gly* *H* *H* *8.834* *.* *1*
old residue 30 
adding: *329* *30* *Gly* *HA2* *H* *3.673* *.* *1*
old residue 30 
adding: *330* *30* *Gly* *HA3* *H* *4.161* *.* *1*
old residue 30 
adding: *331* *30* *Gly* *C* *C* *174.351* *.* *1*
old residue 30 
adding: *332* *30* *Gly* *CA* *C* *45.868* *.* *1*
old residue 30 
adding: *333* *30* *Gly* *N* *N* *104.177* *.* *1*
new residue 31 
adding: *334* *31* *Lys* *H* *H* *8.088* *.* *1*
old residue 31 
adding: *335* *31* *Lys* *HA* *H* *5.148* *.* *1*
old residue 31 
adding: *336* *31* *Lys* *HB2* *H* *1.757* *.* *1*
old residue 31 
adding: *337* *31* *Lys* *HB3* *H* *1.569* *.* *1*
old residue 31 
adding: *338* *31* *Lys* *HG2* *H* *1.233* *.* *2*
old residue 31 
adding: *339* *31* *Lys* *HG3* *H* *1.383* *.* *2*
old residue 31 
adding: *340* *31* *Lys* *HD2* *H* *1.483* *.* *2*
old residue 31 
adding: *341* *31* *Lys* *HD3* *H* *1.580* *.* *2*
old residue 31 
adding: *342* *31* *Lys* *HE2* *H* *2.898* *.* *2*
old residue 31 
adding: *343* *31* *Lys* *HE3* *H* *2.898* *.* *2*
old residue 31 
adding: *344* *31* *Lys* *C* *C* *173.975* *.* *1*
old residue 31 
adding: *345* *31* *Lys* *CA* *C* *54.669* *.* *1*
old residue 31 
adding: *346* *31* *Lys* *CB* *C* *36.337* *.* *1*
old residue 31 
adding: *347* *31* *Lys* *CG* *C* *24.935* *.* *1*
old residue 31 
adding: *348* *31* *Lys* *CD* *C* *28.920* *.* *1*
old residue 31 
adding: *349* *31* *Lys* *CE* *C* *41.982* *.* *1*
old residue 31 
adding: *350* *31* *Lys* *N* *N* *120.994* *.* *1*
new residue 32 
adding: *351* *32* *Ala* *H* *H* *9.275* *.* *1*
old residue 32 
adding: *352* *32* *Ala* *HA* *H* *5.308* *.* *1*
old residue 32 
adding: *353* *32* *Ala* *HB* *H* *1.081* *.* *1*
old residue 32 
adding: *354* *32* *Ala* *C* *C* *175.101* *.* *1*
old residue 32 
adding: *355* *32* *Ala* *CA* *C* *49.517* *.* *1*
old residue 32 
adding: *356* *32* *Ala* *CB* *C* *22.338* *.* *1*
old residue 32 
adding: *357* *32* *Ala* *N* *N* *120.936* *.* *1*
new residue 33 
adding: *358* *33* *Ala* *H* *H* *8.386* *.* *1*
old residue 33 
adding: *359* *33* *Ala* *HA* *H* *4.803* *.* *1*
old residue 33 
adding: *360* *33* *Ala* *HB* *H* *1.209* *.* *1*
old residue 33 
adding: *361* *33* *Ala* *C* *C* *175.743* *.* *1*
old residue 33 
adding: *362* *33* *Ala* *CA* *C* *50.789* *.* *1*
old residue 33 
adding: *363* *33* *Ala* *CB* *C* *19.591* *.* *1*
old residue 33 
adding: *364* *33* *Ala* *N* *N* *125.181* *.* *1*
new residue 34 
adding: *365* *34* *Val* *H* *H* *9.380* *.* *1*
old residue 34 
adding: *366* *34* *Val* *HA* *H* *4.137* *.* *1*
old residue 34 
adding: *367* *34* *Val* *HB* *H* *1.825* *.* *1*
old residue 34 
adding: *368* *34* *Val* *HG1* *H* *-0.102* *.* *1*
old residue 34 
adding: *369* *34* *Val* *HG2* *H* *0.737* *.* *1*
old residue 34 
adding: *370* *34* *Val* *C* *C* *172.136* *.* *1*
old residue 34 
adding: *371* *34* *Val* *CA* *C* *61.254* *.* *1*
old residue 34 
adding: *372* *34* *Val* *CB* *C* *34.022* *.* *1*
old residue 34 
adding: *373* *34* *Val* *CG1* *C* *21.395* *.* *1*
old residue 34 
adding: *374* *34* *Val* *CG2* *C* *22.784* *.* *1*
old residue 34 
adding: *375* *34* *Val* *N* *N* *127.357* *.* *1*
new residue 35 
adding: *376* *35* *Leu* *H* *H* *8.654* *.* *1*
old residue 35 
adding: *377* *35* *Leu* *HA* *H* *4.786* *.* *1*
old residue 35 
adding: *378* *35* *Leu* *HB2* *H* *1.078* *.* *1*
old residue 35 
adding: *379* *35* *Leu* *HB3* *H* *1.836* *.* *1*
old residue 35 
adding: *380* *35* *Leu* *HG* *H* *1.239* *.* *1*
old residue 35 
adding: *381* *35* *Leu* *HD1* *H* *0.746* *.* *1*
old residue 35 
adding: *382* *35* *Leu* *HD2* *H* *0.768* *.* *1*
old residue 35 
adding: *383* *35* *Leu* *C* *C* *175.829* *.* *1*
old residue 35 
adding: *384* *35* *Leu* *CA* *C* *53.118* *.* *1*
old residue 35 
adding: *385* *35* *Leu* *CB* *C* *45.035* *.* *1*
old residue 35 
adding: *386* *35* *Leu* *CG* *C* *27.153* *.* *1*
old residue 35 
adding: *387* *35* *Leu* *CD1* *C* *23.178* *.* *1*
old residue 35 
adding: *388* *35* *Leu* *CD2* *C* *25.803* *.* *1*
old residue 35 
adding: *389* *35* *Leu* *N* *N* *127.433* *.* *1*
new residue 36 
adding: *390* *36* *Phe* *H* *H* *9.276* *.* *1*
old residue 36 
adding: *391* *36* *Phe* *HA* *H* *5.149* *.* *1*
old residue 36 
adding: *392* *36* *Phe* *HB2* *H* *2.884* *.* *1*
old residue 36 
adding: *393* *36* *Phe* *HB3* *H* *3.477* *.* *1*
old residue 36 
adding: *394* *36* *Phe* *HD1* *H* *7.151* *.* *1*
old residue 36 
adding: *395* *36* *Phe* *HD2* *H* *7.151* *.* *1*
old residue 36 
adding: *396* *36* *Phe* *HE1* *H* *6.772* *.* *1*
old residue 36 
adding: *397* *36* *Phe* *HE2* *H* *6.772* *.* *1*
old residue 36 
adding: *398* *36* *Phe* *HZ* *H* *6.829* *.* *1*
old residue 36 
adding: *399* *36* *Phe* *C* *C* *174.959* *.* *1*
old residue 36 
adding: *400* *36* *Phe* *CA* *C* *56.443* *.* *1*
old residue 36 
adding: *401* *36* *Phe* *CB* *C* *40.699* *.* *1*
old residue 36 
adding: *402* *36* *Phe* *CD1* *C* *131.659* *.* *1*
old residue 36 
adding: *403* *36* *Phe* *CE1* *C* *130.366* *.* *1*
old residue 36 
adding: *404* *36* *Phe* *CZ* *C* *128.479* *.* *1*
old residue 36 
adding: *405* *36* *Phe* *N* *N* *128.444* *.* *1*
new residue 37 
adding: *406* *37* *Glu* *H* *H* *8.850* *.* *1*
old residue 37 
adding: *407* *37* *Glu* *HA* *H* *4.830* *.* *1*
old residue 37 
adding: *408* *37* *Glu* *HB2* *H* *2.081* *.* *2*
old residue 37 
adding: *409* *37* *Glu* *HB3* *H* *1.999* *.* *2*
old residue 37 
adding: *410* *37* *Glu* *HG2* *H* *2.249* *.* *2*
old residue 37 
adding: *411* *37* *Glu* *HG3* *H* *2.249* *.* *2*
old residue 37 
adding: *412* *37* *Glu* *C* *C* *175.863* *.* *1*
old residue 37 
adding: *413* *37* *Glu* *CA* *C* *55.678* *.* *1*
old residue 37 
adding: *414* *37* *Glu* *CB* *C* *31.968* *.* *1*
old residue 37 
adding: *415* *37* *Glu* *CG* *C* *35.889* *.* *1*
old residue 37 
adding: *416* *37* *Glu* *N* *N* *120.972* *.* *1*
new residue 38 
adding: *417* *38* *Asn* *H* *H* *8.751* *.* *1*
old residue 38 
adding: *418* *38* *Asn* *HA* *H* *4.811* *.* *1*
old residue 38 
adding: *419* *38* *Asn* *HB2* *H* *2.765* *.* *2*
old residue 38 
adding: *420* *38* *Asn* *HB3* *H* *2.693* *.* *2*
old residue 38 
adding: *421* *38* *Asn* *HD21* *H* *7.390* *.* *2*
old residue 38 
adding: *422* *38* *Asn* *HD22* *H* *6.642* *.* *2*
old residue 38 
adding: *423* *38* *Asn* *C* *C* *175.233* *.* *1*
old residue 38 
adding: *424* *38* *Asn* *CA* *C* *53.041* *.* *1*
old residue 38 
adding: *425* *38* *Asn* *CB* *C* *39.350* *.* *1*
old residue 38 
adding: *426* *38* *Asn* *N* *N* *120.983* *.* *1*
old residue 38 
adding: *427* *38* *Asn* *ND2* *N* *111.776* *.* *1*
new residue 39 
adding: *428* *39* *Gly* *H* *H* *8.852* *.* *1*
old residue 39 
adding: *429* *39* *Gly* *HA2* *H* *3.713* *.* *2*
old residue 39 
adding: *430* *39* *Gly* *HA3* *H* *4.007* *.* *2*
old residue 39 
adding: *431* *39* *Gly* *CA* *C* *46.389* *.* *1*
old residue 39 
adding: *432* *39* *Gly* *N* *N* *112.983* *.* *1*
new residue 40 
adding: *433* *40* *Asn* *H* *H* *8.621* *.* *1*
old residue 40 
adding: *434* *40* *Asn* *HA* *H* *4.702* *.* *1*
old residue 40 
adding: *435* *40* *Asn* *HB2* *H* *2.617* *.* *2*
old residue 40 
adding: *436* *40* *Asn* *HB3* *H* *2.760* *.* *2*
old residue 40 
adding: *437* *40* *Asn* *HD21* *H* *7.448* *.* *2*
old residue 40 
adding: *438* *40* *Asn* *HD22* *H* *6.890* *.* *2*
old residue 40 
adding: *439* *40* *Asn* *C* *C* *174.336* *.* *1*
old residue 40 
adding: *440* *40* *Asn* *CA* *C* *53.344* *.* *1*
old residue 40 
adding: *441* *40* *Asn* *CB* *C* *38.482* *.* *1*
old residue 40 
adding: *442* *40* *Asn* *N* *N* *121.824* *.* *1*
old residue 40 
adding: *443* *40* *Asn* *ND2* *N* *112.187* *.* *1*
new residue 41 
adding: *444* *41* *Trp* *H* *H* *7.971* *.* *1*
old residue 41 
adding: *445* *41* *Trp* *HA* *H* *4.734* *.* *1*
old residue 41 
adding: *446* *41* *Trp* *HB2* *H* *3.245* *.* *1*
old residue 41 
adding: *447* *41* *Trp* *HB3* *H* *3.477* *.* *1*
old residue 41 
adding: *448* *41* *Trp* *HD1* *H* *7.312* *.* *1*
old residue 41 
adding: *449* *41* *Trp* *HE1* *H* *10.159* *.* *1*
old residue 41 
adding: *450* *41* *Trp* *HE3* *H* *7.504* *.* *1*
old residue 41 
adding: *451* *41* *Trp* *HZ2* *H* *7.463* *.* *1*
old residue 41 
adding: *452* *41* *Trp* *HZ3* *H* *7.027* *.* *1*
old residue 41 
adding: *453* *41* *Trp* *HH2* *H* *7.059* *.* *1*
old residue 41 
adding: *454* *41* *Trp* *CA* *C* *56.935* *.* *1*
old residue 41 
adding: *455* *41* *Trp* *CB* *C* *29.988* *.* *1*
old residue 41 
adding: *456* *41* *Trp* *CD1* *C* *127.764* *.* *1*
old residue 41 
adding: *457* *41* *Trp* *CE3* *C* *120.810* *.* *1*
old residue 41 
adding: *458* *41* *Trp* *CZ2* *C* *114.640* *.* *1*
old residue 41 
adding: *459* *41* *Trp* *CZ3* *C* *121.204* *.* *1*
old residue 41 
adding: *460* *41* *Trp* *CH2* *C* *123.844* *.* *1*
old residue 41 
adding: *461* *41* *Trp* *N* *N* *120.597* *.* *1*
old residue 41 
adding: *462* *41* *Trp* *NE1* *N* *129.361* *.* *1*
new residue 42 
adding: *463* *42* *Asp* *H* *H* *7.932* *.* *1*
old residue 42 
adding: *464* *42* *Asp* *HA* *H* *4.949* *.* *1*
old residue 42 
adding: *465* *42* *Asp* *HB2* *H* *2.624* *.* *2*
old residue 42 
adding: *466* *42* *Asp* *HB3* *H* *2.547* *.* *2*
old residue 42 
adding: *467* *42* *Asp* *C* *C* *174.689* *.* *1*
old residue 42 
adding: *468* *42* *Asp* *CA* *C* *53.394* *.* *1*
old residue 42 
adding: *469* *42* *Asp* *CB* *C* *42.446* *.* *1*
old residue 42 
adding: *470* *42* *Asp* *N* *N* *121.388* *.* *1*
new residue 43 
adding: *471* *43* *Lys* *H* *H* *8.383* *.* *1*
old residue 43 
adding: *472* *43* *Lys* *HA* *H* *4.347* *.* *1*
old residue 43 
adding: *473* *43* *Lys* *HB2* *H* *1.634* *.* *2*
old residue 43 
adding: *474* *43* *Lys* *HB3* *H* *1.527* *.* *2*
old residue 43 
adding: *475* *43* *Lys* *HG2* *H* *1.363* *.* *2*
old residue 43 
adding: *476* *43* *Lys* *HG3* *H* *1.363* *.* *2*
old residue 43 
adding: *477* *43* *Lys* *HD2* *H* *1.697* *.* *2*
old residue 43 
adding: *478* *43* *Lys* *HD3* *H* *1.697* *.* *2*
old residue 43 
adding: *479* *43* *Lys* *HE2* *H* *2.999* *.* *2*
old residue 43 
adding: *480* *43* *Lys* *HE3* *H* *2.999* *.* *2*
old residue 43 
adding: *481* *43* *Lys* *C* *C* *173.269* *.* *1*
old residue 43 
adding: *482* *43* *Lys* *CA* *C* *55.565* *.* *1*
old residue 43 
adding: *483* *43* *Lys* *CB* *C* *36.014* *.* *1*
old residue 43 
adding: *484* *43* *Lys* *CG* *C* *24.750* *.* *1*
old residue 43 
adding: *485* *43* *Lys* *CD* *C* *28.883* *.* *1*
old residue 43 
adding: *486* *43* *Lys* *CE* *C* *41.994* *.* *1*
old residue 43 
adding: *487* *43* *Lys* *N* *N* *120.157* *.* *1*
new residue 44 
adding: *488* *44* *Leu* *H* *H* *8.271* *.* *1*
old residue 44 
adding: *489* *44* *Leu* *HA* *H* *5.090* *.* *1*
old residue 44 
adding: *490* *44* *Leu* *HB2* *H* *1.659* *.* *1*
old residue 44 
adding: *491* *44* *Leu* *HB3* *H* *1.264* *.* *1*
old residue 44 
adding: *492* *44* *Leu* *HG* *H* *1.282* *.* *1*
old residue 44 
adding: *493* *44* *Leu* *HD1* *H* *0.633* *.* *1*
old residue 44 
adding: *494* *44* *Leu* *HD2* *H* *0.727* *.* *1*
old residue 44 
adding: *495* *44* *Leu* *C* *C* *176.212* *.* *1*
old residue 44 
adding: *496* *44* *Leu* *CA* *C* *53.413* *.* *1*
old residue 44 
adding: *497* *44* *Leu* *CB* *C* *43.359* *.* *1*
old residue 44 
adding: *498* *44* *Leu* *CG* *C* *26.697* *.* *1*
old residue 44 
adding: *499* *44* *Leu* *CD1* *C* *24.083* *.* *1*
old residue 44 
adding: *500* *44* *Leu* *CD2* *C* *25.388* *.* *1*
old residue 44 
adding: *501* *44* *Leu* *N* *N* *127.381* *.* *1*
new residue 45 
adding: *502* *45* *Val* *H* *H* *9.053* *.* *1*
old residue 45 
adding: *503* *45* *Val* *HA* *H* *4.123* *.* *1*
old residue 45 
adding: *504* *45* *Val* *HB* *H* *1.695* *.* *1*
old residue 45 
adding: *505* *45* *Val* *HG1* *H* *0.392* *.* *1*
old residue 45 
adding: *506* *45* *Val* *HG2* *H* *0.631* *.* *1*
old residue 45 
adding: *507* *45* *Val* *C* *C* *174.141* *.* *1*
old residue 45 
adding: *508* *45* *Val* *CA* *C* *61.257* *.* *1*
old residue 45 
adding: *509* *45* *Val* *CB* *C* *35.267* *.* *1*
old residue 45 
adding: *510* *45* *Val* *CG1* *C* *22.302* *.* *1*
old residue 45 
adding: *511* *45* *Val* *CG2* *C* *20.996* *.* *1*
old residue 45 
adding: *512* *45* *Val* *N* *N* *128.928* *.* *1*
new residue 46 
adding: *513* *46* *Thr* *H* *H* *8.178* *.* *1*
old residue 46 
adding: *514* *46* *Thr* *HA* *H* *5.211* *.* *1*
old residue 46 
adding: *515* *46* *Thr* *HB* *H* *3.789* *.* *1*
old residue 46 
adding: *516* *46* *Thr* *HG2* *H* *1.012* *.* *1*
old residue 46 
adding: *517* *46* *Thr* *C* *C* *173.400* *.* *1*
old residue 46 
adding: *518* *46* *Thr* *CA* *C* *61.843* *.* *1*
old residue 46 
adding: *519* *46* *Thr* *CB* *C* *69.232* *.* *1*
old residue 46 
adding: *520* *46* *Thr* *CG2* *C* *22.266* *.* *1*
old residue 46 
adding: *521* *46* *Thr* *N* *N* *122.218* *.* *1*
new residue 47 
adding: *522* *47* *Phe* *H* *H* *8.910* *.* *1*
old residue 47 
adding: *523* *47* *Phe* *HA* *H* *4.856* *.* *1*
old residue 47 
adding: *524* *47* *Phe* *HB2* *H* *2.398* *.* *1*
old residue 47 
adding: *525* *47* *Phe* *HB3* *H* *3.450* *.* *1*
old residue 47 
adding: *526* *47* *Phe* *HD1* *H* *7.180* *.* *1*
old residue 47 
adding: *527* *47* *Phe* *HD2* *H* *7.180* *.* *1*
old residue 47 
adding: *528* *47* *Phe* *HE1* *H* *7.393* *.* *1*
old residue 47 
adding: *529* *47* *Phe* *HE2* *H* *7.393* *.* *1*
old residue 47 
adding: *530* *47* *Phe* *HZ* *H* *7.092* *.* *1*
old residue 47 
adding: *531* *47* *Phe* *C* *C* *176.461* *.* *1*
old residue 47 
adding: *532* *47* *Phe* *CA* *C* *56.674* *.* *1*
old residue 47 
adding: *533* *47* *Phe* *CB* *C* *44.197* *.* *1*
old residue 47 
adding: *534* *47* *Phe* *CD1* *C* *131.899* *.* *1*
old residue 47 
adding: *535* *47* *Phe* *CE1* *C* *131.232* *.* *1*
old residue 47 
adding: *536* *47* *Phe* *CZ* *C* *129.538* *.* *1*
old residue 47 
adding: *537* *47* *Phe* *N* *N* *123.683* *.* *1*
new residue 48 
adding: *538* *48* *Arg* *H* *H* *9.253* *.* *1*
old residue 48 
adding: *539* *48* *Arg* *HA* *H* *4.671* *.* *1*
old residue 48 
adding: *540* *48* *Arg* *HB2* *H* *1.830* *.* *1*
old residue 48 
adding: *541* *48* *Arg* *HB3* *H* *2.134* *.* *1*
old residue 48 
adding: *542* *48* *Arg* *HG2* *H* *1.900* *.* *2*
old residue 48 
adding: *543* *48* *Arg* *HG3* *H* *1.708* *.* *2*
old residue 48 
adding: *544* *48* *Arg* *HD2* *H* *3.282* *.* *2*
old residue 48 
adding: *545* *48* *Arg* *HD3* *H* *3.229* *.* *2*
old residue 48 
adding: *546* *48* *Arg* *C* *C* *178.847* *.* *1*
old residue 48 
adding: *547* *48* *Arg* *CA* *C* *56.972* *.* *1*
old residue 48 
adding: *548* *48* *Arg* *CB* *C* *30.633* *.* *1*
old residue 48 
adding: *549* *48* *Arg* *CG* *C* *28.169* *.* *1*
old residue 48 
adding: *550* *48* *Arg* *CD* *C* *43.327* *.* *1*
old residue 48 
adding: *551* *48* *Arg* *N* *N* *119.790* *.* *1*
new residue 49 
adding: *552* *49* *Leu* *H* *H* *8.069* *.* *1*
old residue 49 
adding: *553* *49* *Leu* *HA* *H* *3.799* *.* *1*
old residue 49 
adding: *554* *49* *Leu* *HB2* *H* *1.722* *.* *1*
old residue 49 
adding: *555* *49* *Leu* *HB3* *H* *1.472* *.* *1*
old residue 49 
adding: *556* *49* *Leu* *HG* *H* *1.387* *.* *1*
old residue 49 
adding: *557* *49* *Leu* *HD1* *H* *0.865* *.* *1*
old residue 49 
adding: *558* *49* *Leu* *HD2* *H* *0.737* *.* *1*
old residue 49 
adding: *559* *49* *Leu* *C* *C* *178.461* *.* *1*
old residue 49 
adding: *560* *49* *Leu* *CA* *C* *58.572* *.* *1*
old residue 49 
adding: *561* *49* *Leu* *CB* *C* *40.688* *.* *1*
old residue 49 
adding: *562* *49* *Leu* *CG* *C* *27.175* *.* *1*
old residue 49 
adding: *563* *49* *Leu* *CD1* *C* *25.355* *.* *1*
old residue 49 
adding: *564* *49* *Leu* *CD2* *C* *23.181* *.* *1*
old residue 49 
adding: *565* *49* *Leu* *N* *N* *121.403* *.* *1*
new residue 50 
adding: *566* *50* *Ser* *H* *H* *7.858* *.* *1*
old residue 50 
adding: *567* *50* *Ser* *HA* *H* *4.269* *.* *1*
old residue 50 
adding: *568* *50* *Ser* *HB2* *H* *4.099* *.* *1*
old residue 50 
adding: *569* *50* *Ser* *HB3* *H* *3.867* *.* *1*
old residue 50 
adding: *570* *50* *Ser* *C* *C* *175.334* *.* *1*
old residue 50 
adding: *571* *50* *Ser* *CA* *C* *59.496* *.* *1*
old residue 50 
adding: *572* *50* *Ser* *CB* *C* *62.312* *.* *1*
old residue 50 
adding: *573* *50* *Ser* *N* *N* *108.609* *.* *1*
new residue 51 
adding: *574* *51* *Glu* *H* *H* *7.820* *.* *1*
old residue 51 
adding: *575* *51* *Glu* *HA* *H* *4.396* *.* *1*
old residue 51 
adding: *576* *51* *Glu* *HB2* *H* *2.495* *.* *2*
old residue 51 
adding: *577* *51* *Glu* *HB3* *H* *2.495* *.* *2*
old residue 51 
adding: *578* *51* *Glu* *HG2* *H* *2.369* *.* *2*
old residue 51 
adding: *579* *51* *Glu* *HG3* *H* *2.369* *.* *2*
old residue 51 
adding: *580* *51* *Glu* *C* *C* *173.857* *.* *1*
old residue 51 
adding: *581* *51* *Glu* *CA* *C* *56.235* *.* *1*
old residue 51 
adding: *582* *51* *Glu* *CB* *C* *30.627* *.* *1*
old residue 51 
adding: *583* *51* *Glu* *CG* *C* *37.927* *.* *1*
old residue 51 
adding: *584* *51* *Glu* *N* *N* *120.614* *.* *1*
new residue 52 
adding: *585* *52* *Leu* *H* *H* *7.301* *.* *1*
old residue 52 
adding: *586* *52* *Leu* *HA* *H* *5.287* *.* *1*
old residue 52 
adding: *587* *52* *Leu* *HB2* *H* *1.757* *.* *1*
old residue 52 
adding: *588* *52* *Leu* *HB3* *H* *0.887* *.* *1*
old residue 52 
adding: *589* *52* *Leu* *HG* *H* *1.613* *.* *1*
old residue 52 
adding: *590* *52* *Leu* *HD1* *H* *0.672* *.* *1*
old residue 52 
adding: *591* *52* *Leu* *HD2* *H* *0.299* *.* *1*
old residue 52 
adding: *592* *52* *Leu* *C* *C* *176.101* *.* *1*
old residue 52 
adding: *593* *52* *Leu* *CA* *C* *52.587* *.* *1*
old residue 52 
adding: *594* *52* *Leu* *CB* *C* *47.265* *.* *1*
old residue 52 
adding: *595* *52* *Leu* *CG* *C* *25.805* *.* *1*
old residue 52 
adding: *596* *52* *Leu* *CD1* *C* *26.725* *.* *1*
old residue 52 
adding: *597* *52* *Leu* *CD2* *C* *22.540* *.* *1*
old residue 52 
adding: *598* *52* *Leu* *N* *N* *116.595* *.* *1*
new residue 53 
adding: *599* *53* *Glu* *H* *H* *8.530* *.* *1*
old residue 53 
adding: *600* *53* *Glu* *HA* *H* *4.623* *.* *1*
old residue 53 
adding: *601* *53* *Glu* *HB2* *H* *1.913* *.* *2*
old residue 53 
adding: *602* *53* *Glu* *HB3* *H* *1.815* *.* *2*
old residue 53 
adding: *603* *53* *Glu* *HG2* *H* *2.130* *.* *2*
old residue 53 
adding: *604* *53* *Glu* *HG3* *H* *2.130* *.* *2*
old residue 53 
adding: *605* *53* *Glu* *C* *C* *174.842* *.* *1*
old residue 53 
adding: *606* *53* *Glu* *CA* *C* *54.189* *.* *1*
old residue 53 
adding: *607* *53* *Glu* *CB* *C* *33.338* *.* *1*
old residue 53 
adding: *608* *53* *Glu* *CG* *C* *35.465* *.* *1*
old residue 53 
adding: *609* *53* *Glu* *N* *N* *117.786* *.* *1*
new residue 54 
adding: *610* *54* *Ala* *H* *H* *8.779* *.* *1*
old residue 54 
adding: *611* *54* *Ala* *HA* *H* *4.629* *.* *1*
old residue 54 
adding: *612* *54* *Ala* *HB* *H* *1.329* *.* *1*
old residue 54 
adding: *613* *54* *Ala* *C* *C* *177.383* *.* *1*
old residue 54 
adding: *614* *54* *Ala* *CA* *C* *52.493* *.* *1*
old residue 54 
adding: *615* *54* *Ala* *CB* *C* *18.381* *.* *1*
old residue 54 
adding: *616* *54* *Ala* *N* *N* *126.778* *.* *1*
new residue 55 
adding: *617* *55* *Val* *H* *H* *8.289* *.* *1*
old residue 55 
adding: *618* *55* *Val* *HA* *H* *4.212* *.* *1*
old residue 55 
adding: *619* *55* *Val* *HB* *H* *1.891* *.* *1*
old residue 55 
adding: *620* *55* *Val* *HG1* *H* *0.792* *.* *1*
old residue 55 
adding: *621* *55* *Val* *HG2* *H* *0.671* *.* *1*
old residue 55 
adding: *622* *55* *Val* *C* *C* *175.240* *.* *1*
old residue 55 
adding: *623* *55* *Val* *CA* *C* *60.843* *.* *1*
old residue 55 
adding: *624* *55* *Val* *CB* *C* *33.682* *.* *1*
old residue 55 
adding: *625* *55* *Val* *CG1* *C* *21.004* *.* *1*
old residue 55 
adding: *626* *55* *Val* *CG2* *C* *20.113* *.* *1*
old residue 55 
adding: *627* *55* *Val* *N* *N* *120.191* *.* *1*
new residue 56 
adding: *628* *56* *Lys* *H* *H* *8.306* *.* *1*
old residue 56 
adding: *629* *56* *Lys* *HA* *H* *4.620* *.* *1*
old residue 56 
adding: *630* *56* *Lys* *HB2* *H* *1.819* *.* *2*
old residue 56 
adding: *631* *56* *Lys* *HB3* *H* *1.718* *.* *2*
old residue 56 
adding: *632* *56* *Lys* *HG2* *H* *1.468* *.* *2*
old residue 56 
adding: *633* *56* *Lys* *HG3* *H* *1.468* *.* *2*
old residue 56 
adding: *634* *56* *Lys* *HD2* *H* *1.698* *.* *2*
old residue 56 
adding: *635* *56* *Lys* *HD3* *H* *1.698* *.* *2*
old residue 56 
adding: *636* *56* *Lys* *HE2* *H* *2.939* *.* *2*
old residue 56 
adding: *637* *56* *Lys* *HE3* *H* *2.939* *.* *2*
old residue 56 
adding: *638* *56* *Lys* *CA* *C* *53.826* *.* *1*
old residue 56 
adding: *639* *56* *Lys* *CB* *C* *32.350* *.* *1*
old residue 56 
adding: *640* *56* *Lys* *CG* *C* *24.518* *.* *1*
old residue 56 
adding: *641* *56* *Lys* *CD* *C* *29.135* *.* *1*
old residue 56 
adding: *642* *56* *Lys* *CE* *C* *42.002* *.* *1*
old residue 56 
adding: *643* *56* *Lys* *N* *N* *124.982* *.* *1*
new residue 57 
adding: *644* *57* *Pro* *HA* *H* *4.441* *.* *1*
old residue 57 
adding: *645* *57* *Pro* *HB2* *H* *1.862* *.* *1*
old residue 57 
adding: *646* *57* *Pro* *HB3* *H* *2.271* *.* *1*
old residue 57 
adding: *647* *57* *Pro* *HG2* *H* *2.025* *.* *2*
old residue 57 
adding: *648* *57* *Pro* *HG3* *H* *2.025* *.* *2*
old residue 57 
adding: *649* *57* *Pro* *HD2* *H* *3.853* *.* *2*
old residue 57 
adding: *650* *57* *Pro* *HD3* *H* *3.696* *.* *2*
old residue 57 
adding: *651* *57* *Pro* *C* *C* *176.796* *.* *1*
old residue 57 
adding: *652* *57* *Pro* *CA* *C* *62.753* *.* *1*
old residue 57 
adding: *653* *57* *Pro* *CB* *C* *31.969* *.* *1*
old residue 57 
adding: *654* *57* *Pro* *CG* *C* *27.150* *.* *1*
old residue 57 
adding: *655* *57* *Pro* *CD* *C* *50.670* *.* *1*
new residue 58 
adding: *656* *58* *Ile* *H* *H* *8.324* *.* *1*
old residue 58 
adding: *657* *58* *Ile* *HA* *H* *4.095* *.* *1*
old residue 58 
adding: *658* *58* *Ile* *HB* *H* *1.800* *.* *1*
old residue 58 
adding: *659* *58* *Ile* *HG12* *H* *1.478* *.* *2*
old residue 58 
adding: *660* *58* *Ile* *HG13* *H* *1.170* *.* *2*
old residue 58 
adding: *661* *58* *Ile* *HG2* *H* *0.849* *.* *1*
old residue 58 
adding: *662* *58* *Ile* *HD1* *H* *0.835* *.* *1*
old residue 58 
adding: *663* *58* *Ile* *C* *C* *176.220* *.* *1*
old residue 58 
adding: *664* *58* *Ile* *CA* *C* *61.100* *.* *1*
old residue 58 
adding: *665* *58* *Ile* *CB* *C* *38.519* *.* *1*
old residue 58 
adding: *666* *58* *Ile* *CG1* *C* *27.177* *.* *1*
old residue 58 
adding: *667* *58* *Ile* *CG2* *C* *17.472* *.* *1*
old residue 58 
adding: *668* *58* *Ile* *CD1* *C* *12.712* *.* *1*
old residue 58 
adding: *669* *58* *Ile* *N* *N* *121.128* *.* *1*
new residue 59 
adding: *670* *59* *Leu* *H* *H* *8.238* *.* *1*
old residue 59 
adding: *671* *59* *Leu* *HA* *H* *4.330* *.* *1*
old residue 59 
adding: *672* *59* *Leu* *HB2* *H* *1.564* *.* *2*
old residue 59 
adding: *673* *59* *Leu* *HB3* *H* *1.474* *.* *2*
old residue 59 
adding: *674* *59* *Leu* *HG* *H* *1.537* *.* *1*
old residue 59 
adding: *675* *59* *Leu* *HD1* *H* *0.884* *.* *1*
old residue 59 
adding: *676* *59* *Leu* *HD2* *H* *0.819* *.* *1*
old residue 59 
adding: *677* *59* *Leu* *C* *C* *176.843* *.* *1*
old residue 59 
adding: *678* *59* *Leu* *CA* *C* *54.721* *.* *1*
old residue 59 
adding: *679* *59* *Leu* *CB* *C* *42.237* *.* *1*
old residue 59 
adding: *680* *59* *Leu* *CG* *C* *26.749* *.* *1*
old residue 59 
adding: *681* *59* *Leu* *CD1* *C* *24.758* *.* *1*
old residue 59 
adding: *682* *59* *Leu* *CD2* *C* *23.218* *.* *1*
old residue 59 
adding: *683* *59* *Leu* *N* *N* *125.747* *.* *1*
new residue 60 
adding: *684* *60* *Glu* *H* *H* *8.228* *.* *1*
old residue 60 
adding: *685* *60* *Glu* *HA* *H* *4.178* *.* *1*
old residue 60 
adding: *686* *60* *Glu* *HB2* *H* *1.847* *.* *2*
old residue 60 
adding: *687* *60* *Glu* *HB3* *H* *1.847* *.* *2*
old residue 60 
adding: *688* *60* *Glu* *HG2* *H* *2.146* *.* *2*
old residue 60 
adding: *689* *60* *Glu* *HG3* *H* *2.146* *.* *2*
old residue 60 
adding: *690* *60* *Glu* *C* *C* *175.958* *.* *1*
old residue 60 
adding: *691* *60* *Glu* *CA* *C* *56.036* *.* *1*
old residue 60 
adding: *692* *60* *Glu* *CB* *C* *30.191* *.* *1*
old residue 60 
adding: *693* *60* *Glu* *CG* *C* *35.675* *.* *1*
old residue 60 
adding: *694* *60* *Glu* *N* *N* *121.370* *.* *1*
new residue 61 
adding: *695* *61* *His* *H* *H* *8.450* *.* *1*
old residue 61 
adding: *696* *61* *His* *CA* *C* *55.246* *.* *1*
old residue 61 
adding: *697* *61* *His* *CB* *C* *29.434* *.* *1*
old residue 61 
adding: *698* *61* *His* *N* *N* *119.627* *.* *1*
seqcode size is : 61
seqcode: 33 	shift counts are : 7
seqcode: 32 	shift counts are : 7
seqcode: 21 	shift counts are : 11
seqcode: 7 	shift counts are : 9
seqcode: 26 	shift counts are : 16
seqcode: 17 	shift counts are : 14
seqcode: 2 	shift counts are : 14
seqcode: 1 	shift counts are : 11
seqcode: 18 	shift counts are : 14
seqcode: 30 	shift counts are : 6
seqcode: 16 	shift counts are : 9
seqcode: 44 	shift counts are : 14
seqcode: 55 	shift counts are : 11
seqcode: 27 	shift counts are : 11
seqcode: 25 	shift counts are : 14
seqcode: 28 	shift counts are : 8
seqcode: 57 	shift counts are : 12
seqcode: 40 	shift counts are : 11
seqcode: 61 	shift counts are : 4
seqcode: 20 	shift counts are : 16
seqcode: 14 	shift counts are : 8
seqcode: 59 	shift counts are : 14
seqcode: 49 	shift counts are : 14
seqcode: 24 	shift counts are : 11
seqcode: 10 	shift counts are : 11
seqcode: 31 	shift counts are : 17
seqcode: 35 	shift counts are : 14
seqcode: 11 	shift counts are : 9
seqcode: 53 	shift counts are : 11
seqcode: 48 	shift counts are : 14
seqcode: 42 	shift counts are : 8
seqcode: 22 	shift counts are : 6
seqcode: 46 	shift counts are : 9
seqcode: 13 	shift counts are : 11
seqcode: 23 	shift counts are : 14
seqcode: 29 	shift counts are : 8
seqcode: 6 	shift counts are : 7
seqcode: 50 	shift counts are : 8
seqcode: 39 	shift counts are : 5
seqcode: 36 	shift counts are : 16
seqcode: 3 	shift counts are : 15
seqcode: 51 	shift counts are : 11
seqcode: 9 	shift counts are : 16
seqcode: 58 	shift counts are : 14
seqcode: 41 	shift counts are : 19
seqcode: 12 	shift counts are : 11
seqcode: 47 	shift counts are : 16
seqcode: 15 	shift counts are : 8
seqcode: 52 	shift counts are : 14
seqcode: 38 	shift counts are : 11
seqcode: 8 	shift counts are : 11
seqcode: 60 	shift counts are : 11
seqcode: 4 	shift counts are : 12
seqcode: 34 	shift counts are : 11
seqcode: 56 	shift counts are : 16
seqcode: 45 	shift counts are : 11
seqcode: 37 	shift counts are : 11
seqcode: 43 	shift counts are : 17
seqcode: 19 	shift counts are : 16
seqcode: 54 	shift counts are : 7
seqcode: 5 	shift counts are : 6
setting ambig code at 500 for HD2 to 2
setting ambig code at 499 for HD1 to 2
setting ambig code at 626 for HG2 to 2
setting ambig code at 625 for HG1 to 2
setting ambig code at 310 for HG2 to 2
setting ambig code at 309 for HG1 to 2
setting ambig code at 682 for HD2 to 2
setting ambig code at 681 for HD1 to 2
setting ambig code at 564 for HD2 to 2
setting ambig code at 563 for HD1 to 2
setting ambig code at 269 for HG2 to 2
setting ambig code at 268 for HG1 to 2
setting ambig code at 111 for HG2 to 2
setting ambig code at 110 for HG1 to 2
setting ambig code at 388 for HD2 to 2
setting ambig code at 387 for HD1 to 2
setting ambig code at 142 for HG2 to 2
setting ambig code at 141 for HG1 to 2
setting ambig code at 258 for HD2 to 2
setting ambig code at 257 for HD1 to 2
setting ambig code at 597 for HD2 to 2
setting ambig code at 596 for HD1 to 2
setting ambig code at 84 for HG2 to 2
setting ambig code at 83 for HG1 to 2
setting ambig code at 374 for HG2 to 2
setting ambig code at 373 for HG1 to 2
setting ambig code at 511 for HG2 to 2
setting ambig code at 510 for HG1 to 2
1 1 MET HA H 4.086 . 1 
2 1 MET HB2 H 2.087 . 2 
3 1 MET HB3 H 2.026 . 2 
4 1 MET HG2 H 2.537 . 2 
5 1 MET HG3 H 2.440 . 2 
6 1 MET HE H 2.064 . 1 
7 1 MET C C 171.914 . 1 
8 1 MET CA C 54.725 . 1 
9 1 MET CB C 33.215 . 1 
10 1 MET CG C 31.024 . 1 
11 1 MET CE C 16.615 . 1 
12 2 ILE H H 8.404 . 1 
13 2 ILE HA H 3.812 . 1 
14 2 ILE HB H 1.671 . 1 
15 2 ILE HG12 H 1.461 . 2 
16 2 ILE HG13 H 0.982 . 2 
17 2 ILE HG2 H 0.589 . 1 
18 2 ILE HD1 H 0.644 . 1 
19 2 ILE C C 172.798 . 1 
20 2 ILE CA C 61.060 . 1 
21 2 ILE CB C 37.901 . 1 
22 2 ILE CG1 C 27.572 . 1 
23 2 ILE CG2 C 18.385 . 1 
24 2 ILE CD1 C 12.705 . 1 
25 2 ILE N N 122.568 . 1 
26 3 PHE H H 6.737 . 1 
27 3 PHE HA H 5.014 . 1 
28 3 PHE HB2 H 2.901 . 1 
29 3 PHE HB3 H 3.082 . 1 
30 3 PHE HD1 H 7.152 . 1 
31 3 PHE HD2 H 7.152 . 1 
32 3 PHE HE1 H 7.282 . 1 
33 3 PHE HE2 H 7.282 . 1 
34 3 PHE HZ H 7.308 . 1 
35 3 PHE CA C 53.821 . 1 
36 3 PHE CB C 39.219 . 1 
37 3 PHE CD1 C 132.575 . 1 
38 3 PHE CE1 C 130.968 . 1 
39 3 PHE CZ C 129.764 . 1 
40 3 PHE N N 122.170 . 1 
41 4 PRO HA H 3.867 . 1 
42 4 PRO HB2 H 2.128 . 2 
43 4 PRO HB3 H 1.971 . 2 
44 4 PRO HG2 H 2.369 . 2 
45 4 PRO HG3 H 1.692 . 2 
46 4 PRO HD2 H 3.786 . 2 
47 4 PRO HD3 H 3.786 . 2 
48 4 PRO C C 176.282 . 1 
49 4 PRO CA C 63.893 . 1 
50 4 PRO CB C 31.028 . 1 
51 4 PRO CG C 28.899 . 1 
52 4 PRO CD C 50.760 . 1 
53 5 GLY H H 9.018 . 1 
54 5 GLY HA2 H 4.515 . 2 
55 5 GLY HA3 H 3.564 . 2 
56 5 GLY C C 173.977 . 1 
57 5 GLY CA C 44.363 . 1 
58 5 GLY N N 113.008 . 1 
59 6 ALA H H 7.782 . 1 
60 6 ALA HA H 4.234 . 1 
61 6 ALA HB H 1.031 . 1 
62 6 ALA C C 176.657 . 1 
63 6 ALA CA C 52.071 . 1 
64 6 ALA CB C 18.634 . 1 
65 6 ALA N N 122.579 . 1 
66 7 THR H H 8.528 . 1 
67 7 THR HA H 5.065 . 1 
68 7 THR HB H 3.995 . 1 
69 7 THR HG2 H 1.126 . 1 
70 7 THR C C 174.650 . 1 
71 7 THR CA C 62.562 . 1 
72 7 THR CB C 68.841 . 1 
73 7 THR CG2 C 21.022 . 1 
74 7 THR N N 118.546 . 1 
75 8 VAL H H 9.030 . 1 
76 8 VAL HA H 5.356 . 1 
77 8 VAL HB H 1.865 . 1 
78 8 VAL HG1 H 0.571 . 2 
79 8 VAL HG2 H 0.538 . 2 
80 8 VAL C C 173.129 . 1 
81 8 VAL CA C 57.474 . 1 
82 8 VAL CB C 36.130 . 1 
83 8 VAL CG1 C 22.242 . 2 
84 8 VAL CG2 C 19.260 . 2 
85 8 VAL N N 117.547 . 1 
86 9 ARG H H 8.921 . 1 
87 9 ARG HA H 5.469 . 1 
88 9 ARG HB2 H 1.580 . 2 
89 9 ARG HB3 H 1.513 . 2 
90 9 ARG HG2 H 1.350 . 2 
91 9 ARG HG3 H 1.306 . 2 
92 9 ARG HD2 H 3.036 . 2 
93 9 ARG HD3 H 3.089 . 2 
94 9 ARG HE H 7.355 . 1 
95 9 ARG C C 175.404 . 1 
96 9 ARG CA C 52.542 . 1 
97 9 ARG CB C 34.578 . 1 
98 9 ARG CG C 26.955 . 1 
99 9 ARG CD C 43.305 . 1 
100 9 ARG N N 118.296 . 1 
101 9 ARG NE N 83.825 . 1 
102 10 VAL H H 7.948 . 1 
103 10 VAL HA H 4.314 . 1 
104 10 VAL HB H 2.465 . 1 
105 10 VAL HG1 H 0.932 . 2 
106 10 VAL HG2 H 0.424 . 2 
107 10 VAL C C 178.552 . 1 
108 10 VAL CA C 62.103 . 1 
109 10 VAL CB C 31.234 . 1 
110 10 VAL CG1 C 20.555 . 2 
111 10 VAL CG2 C 20.839 . 2 
112 10 VAL N N 123.758 . 1 
113 11 THR H H 9.010 . 1 
114 11 THR HA H 4.525 . 1 
115 11 THR HB H 4.508 . 1 
116 11 THR HG2 H 1.049 . 1 
117 11 THR C C 174.162 . 1 
118 11 THR CA C 61.475 . 1 
119 11 THR CB C 68.695 . 1 
120 11 THR CG2 C 22.263 . 1 
121 11 THR N N 119.053 . 1 
122 12 ASN H H 6.705 . 1 
123 12 ASN HA H 4.772 . 1 
124 12 ASN HB2 H 2.916 . 2 
125 12 ASN HB3 H 2.916 . 2 
126 12 ASN HD21 H 8.732 . 1 
127 12 ASN HD22 H 7.106 . 1 
128 12 ASN C C 175.158 . 1 
129 12 ASN CA C 52.557 . 1 
130 12 ASN CB C 38.124 . 1 
131 12 ASN N N 119.138 . 1 
132 12 ASN ND2 N 112.575 . 1 
133 13 VAL H H 7.956 . 1 
134 13 VAL HA H 2.231 . 1 
135 13 VAL HB H 1.637 . 1 
136 13 VAL HG1 H 0.696 . 2 
137 13 VAL HG2 H 0.696 . 2 
138 13 VAL C C 175.624 . 1 
139 13 VAL CA C 62.567 . 1 
140 13 VAL CB C 31.521 . 1 
141 13 VAL CG1 C 20.159 . 2 
142 13 VAL CG2 C 20.159 . 2 
143 13 VAL N N 124.955 . 1 
144 14 ASP H H 7.544 . 1 
145 14 ASP HA H 4.612 . 1 
146 14 ASP HB2 H 2.790 . 2 
147 14 ASP HB3 H 2.459 . 2 
148 14 ASP C C 175.651 . 1 
149 14 ASP CA C 54.126 . 1 
150 14 ASP CB C 41.234 . 1 
151 14 ASP N N 117.348 . 1 
152 15 ASP H H 7.668 . 1 
153 15 ASP HA H 4.683 . 1 
154 15 ASP HB2 H 2.579 . 1 
155 15 ASP HB3 H 2.732 . 1 
156 15 ASP C C 177.380 . 1 
157 15 ASP CA C 54.173 . 1 
158 15 ASP CB C 45.096 . 1 
159 15 ASP N N 121.775 . 1 
160 16 THR H H 8.588 . 1 
161 16 THR HA H 3.797 . 1 
162 16 THR HB H 3.618 . 1 
163 16 THR HG2 H 0.634 . 1 
164 16 THR C C 174.808 . 1 
165 16 THR CA C 65.658 . 1 
166 16 THR CB C 69.263 . 1 
167 16 THR CG2 C 21.003 . 1 
168 16 THR N N 124.360 . 1 
169 17 TYR H H 9.797 . 1 
170 17 TYR HA H 3.917 . 1 
171 17 TYR HB2 H 2.814 . 2 
172 17 TYR HB3 H 2.814 . 2 
173 17 TYR HD1 H 6.386 . 1 
174 17 TYR HD2 H 6.386 . 1 
175 17 TYR HE1 H 6.494 . 1 
176 17 TYR HE2 H 6.494 . 1 
177 17 TYR C C 174.354 . 1 
178 17 TYR CA C 57.816 . 1 
179 17 TYR CB C 36.777 . 1 
180 17 TYR CD1 C 132.812 . 1 
181 17 TYR CE1 C 117.290 . 1 
182 17 TYR N N 119.764 . 1 
183 18 TYR H H 7.553 . 1 
184 18 TYR HA H 3.974 . 1 
185 18 TYR HB2 H 3.829 . 2 
186 18 TYR HB3 H 2.685 . 2 
187 18 TYR HD1 H 6.910 . 1 
188 18 TYR HD2 H 6.910 . 1 
189 18 TYR HE1 H 6.730 . 1 
190 18 TYR HE2 H 6.730 . 1 
191 18 TYR C C 176.537 . 1 
192 18 TYR CA C 59.454 . 1 
193 18 TYR CB C 37.665 . 1 
194 18 TYR CD1 C 133.015 . 1 
195 18 TYR CE1 C 118.142 . 1 
196 18 TYR N N 120.582 . 1 
197 19 ARG H H 8.454 . 1 
198 19 ARG HA H 3.273 . 1 
199 19 ARG HB2 H 1.846 . 2 
200 19 ARG HB3 H 1.696 . 2 
201 19 ARG HG2 H 0.225 . 2 
202 19 ARG HG3 H 0.754 . 2 
203 19 ARG HD2 H 2.809 . 2 
204 19 ARG HD3 H 2.809 . 2 
205 19 ARG HE H 6.825 . 1 
206 19 ARG C C 175.952 . 1 
207 19 ARG CA C 59.502 . 1 
208 19 ARG CB C 27.991 . 1 
209 19 ARG CG C 26.799 . 1 
210 19 ARG CD C 43.320 . 1 
211 19 ARG N N 119.027 . 1 
212 19 ARG NE N 84.625 . 1 
213 20 PHE H H 8.924 . 1 
214 20 PHE HA H 4.378 . 1 
215 20 PHE HB2 H 3.388 . 1 
216 20 PHE HB3 H 2.660 . 1 
217 20 PHE HD1 H 6.950 . 1 
218 20 PHE HD2 H 6.950 . 1 
219 20 PHE HE1 H 7.249 . 1 
220 20 PHE HE2 H 7.249 . 1 
221 20 PHE HZ H 7.155 . 1 
222 20 PHE C C 175.232 . 1 
223 20 PHE CA C 58.661 . 1 
224 20 PHE CB C 39.390 . 1 
225 20 PHE CD1 C 130.850 . 1 
226 20 PHE CE1 C 131.108 . 1 
227 20 PHE CZ C 129.496 . 1 
228 20 PHE N N 122.532 . 1 
229 21 GLU H H 8.447 . 1 
230 21 GLU HA H 5.803 . 1 
231 21 GLU HB2 H 1.859 . 2 
232 21 GLU HB3 H 1.859 . 2 
233 21 GLU HG2 H 2.285 . 2 
234 21 GLU HG3 H 2.004 . 2 
235 21 GLU C C 176.669 . 1 
236 21 GLU CA C 53.843 . 1 
237 21 GLU CB C 32.382 . 1 
238 21 GLU CG C 36.351 . 1 
239 21 GLU N N 118.146 . 1 
240 22 GLY H H 8.837 . 1 
241 22 GLY HA2 H 4.602 . 2 
242 22 GLY HA3 H 3.404 . 2 
243 22 GLY C C 170.740 . 1 
244 22 GLY CA C 45.091 . 1 
245 22 GLY N N 108.959 . 1 
246 23 LEU H H 7.980 . 1 
247 23 LEU HA H 5.035 . 1 
248 23 LEU HB2 H 1.499 . 2 
249 23 LEU HB3 H 1.396 . 2 
250 23 LEU HG H 1.420 . 1 
251 23 LEU HD1 H 0.789 . 2 
252 23 LEU HD2 H 0.789 . 2 
253 23 LEU C C 177.968 . 1 
254 23 LEU CA C 52.941 . 1 
255 23 LEU CB C 45.451 . 1 
256 23 LEU CG C 27.138 . 1 
257 23 LEU CD1 C 24.515 . 2 
258 23 LEU CD2 C 24.515 . 2 
259 23 LEU N N 119.401 . 1 
260 24 VAL H H 9.150 . 1 
261 24 VAL HA H 3.823 . 1 
262 24 VAL HB H 2.196 . 1 
263 24 VAL HG1 H 0.536 . 2 
264 24 VAL HG2 H 0.789 . 2 
265 24 VAL C C 176.514 . 1 
266 24 VAL CA C 63.893 . 1 
267 24 VAL CB C 31.331 . 1 
268 24 VAL CG1 C 22.781 . 2 
269 24 VAL CG2 C 24.480 . 2 
270 24 VAL N N 125.985 . 1 
271 25 GLN H H 9.648 . 1 
272 25 GLN HA H 4.417 . 1 
273 25 GLN HB2 H 2.183 . 2 
274 25 GLN HB3 H 1.705 . 2 
275 25 GLN HG2 H 2.221 . 2 
276 25 GLN HG3 H 2.221 . 2 
277 25 GLN HE21 H 6.586 . 2 
278 25 GLN HE22 H 7.092 . 2 
279 25 GLN C C 175.395 . 1 
280 25 GLN CA C 56.015 . 1 
281 25 GLN CB C 30.662 . 1 
282 25 GLN CG C 34.420 . 1 
283 25 GLN N N 128.129 . 1 
284 25 GLN NE2 N 112.986 . 1 
285 26 ARG H H 7.284 . 1 
286 26 ARG HA H 4.517 . 1 
287 26 ARG HB2 H 1.756 . 2 
288 26 ARG HB3 H 1.756 . 2 
289 26 ARG HG2 H 1.537 . 2 
290 26 ARG HG3 H 1.445 . 2 
291 26 ARG HD2 H 3.130 . 2 
292 26 ARG HD3 H 3.130 . 2 
293 26 ARG HE H 7.203 . 1 
294 26 ARG C C 173.639 . 1 
295 26 ARG CA C 55.190 . 1 
296 26 ARG CB C 33.647 . 1 
297 26 ARG CG C 27.098 . 1 
298 26 ARG CD C 42.927 . 1 
299 26 ARG N N 115.150 . 1 
300 26 ARG NE N 84.113 . 1 
301 27 VAL H H 8.856 . 1 
302 27 VAL HA H 4.813 . 1 
303 27 VAL HB H 1.926 . 1 
304 27 VAL HG1 H 0.882 . 2 
305 27 VAL HG2 H 0.693 . 2 
306 27 VAL C C 175.033 . 1 
307 27 VAL CA C 61.408 . 1 
308 27 VAL CB C 34.529 . 1 
309 27 VAL CG1 C 20.998 . 2 
310 27 VAL CG2 C 21.306 . 2 
311 27 VAL N N 123.359 . 1 
312 28 SER H H 8.781 . 1 
313 28 SER HA H 4.556 . 1 
314 28 SER HB2 H 3.754 . 2 
315 28 SER HB3 H 3.754 . 2 
316 28 SER C C 174.361 . 1 
317 28 SER CA C 57.780 . 1 
318 28 SER CB C 63.991 . 1 
319 28 SER N N 119.413 . 1 
320 29 ASP H H 9.233 . 1 
321 29 ASP HA H 4.327 . 1 
322 29 ASP HB2 H 2.903 . 2 
323 29 ASP HB3 H 2.538 . 2 
324 29 ASP C C 175.710 . 1 
325 29 ASP CA C 55.165 . 1 
326 29 ASP CB C 39.851 . 1 
327 29 ASP N N 125.003 . 1 
328 30 GLY H H 8.834 . 1 
329 30 GLY HA2 H 3.673 . 1 
330 30 GLY HA3 H 4.161 . 1 
331 30 GLY C C 174.351 . 1 
332 30 GLY CA C 45.868 . 1 
333 30 GLY N N 104.177 . 1 
334 31 LYS H H 8.088 . 1 
335 31 LYS HA H 5.148 . 1 
336 31 LYS HB2 H 1.757 . 1 
337 31 LYS HB3 H 1.569 . 1 
338 31 LYS HG2 H 1.233 . 2 
339 31 LYS HG3 H 1.383 . 2 
340 31 LYS HD2 H 1.483 . 2 
341 31 LYS HD3 H 1.580 . 2 
342 31 LYS HE2 H 2.898 . 2 
343 31 LYS HE3 H 2.898 . 2 
344 31 LYS C C 173.975 . 1 
345 31 LYS CA C 54.669 . 1 
346 31 LYS CB C 36.337 . 1 
347 31 LYS CG C 24.935 . 1 
348 31 LYS CD C 28.920 . 1 
349 31 LYS CE C 41.982 . 1 
350 31 LYS N N 120.994 . 1 
351 32 ALA H H 9.275 . 1 
352 32 ALA HA H 5.308 . 1 
353 32 ALA HB H 1.081 . 1 
354 32 ALA C C 175.101 . 1 
355 32 ALA CA C 49.517 . 1 
356 32 ALA CB C 22.338 . 1 
357 32 ALA N N 120.936 . 1 
358 33 ALA H H 8.386 . 1 
359 33 ALA HA H 4.803 . 1 
360 33 ALA HB H 1.209 . 1 
361 33 ALA C C 175.743 . 1 
362 33 ALA CA C 50.789 . 1 
363 33 ALA CB C 19.591 . 1 
364 33 ALA N N 125.181 . 1 
365 34 VAL H H 9.380 . 1 
366 34 VAL HA H 4.137 . 1 
367 34 VAL HB H 1.825 . 1 
368 34 VAL HG1 H -0.102 . 2 
369 34 VAL HG2 H 0.737 . 2 
370 34 VAL C C 172.136 . 1 
371 34 VAL CA C 61.254 . 1 
372 34 VAL CB C 34.022 . 1 
373 34 VAL CG1 C 21.395 . 2 
374 34 VAL CG2 C 22.784 . 2 
375 34 VAL N N 127.357 . 1 
376 35 LEU H H 8.654 . 1 
377 35 LEU HA H 4.786 . 1 
378 35 LEU HB2 H 1.078 . 1 
379 35 LEU HB3 H 1.836 . 1 
380 35 LEU HG H 1.239 . 1 
381 35 LEU HD1 H 0.746 . 2 
382 35 LEU HD2 H 0.768 . 2 
383 35 LEU C C 175.829 . 1 
384 35 LEU CA C 53.118 . 1 
385 35 LEU CB C 45.035 . 1 
386 35 LEU CG C 27.153 . 1 
387 35 LEU CD1 C 23.178 . 2 
388 35 LEU CD2 C 25.803 . 2 
389 35 LEU N N 127.433 . 1 
390 36 PHE H H 9.276 . 1 
391 36 PHE HA H 5.149 . 1 
392 36 PHE HB2 H 2.884 . 1 
393 36 PHE HB3 H 3.477 . 1 
394 36 PHE HD1 H 7.151 . 1 
395 36 PHE HD2 H 7.151 . 1 
396 36 PHE HE1 H 6.772 . 1 
397 36 PHE HE2 H 6.772 . 1 
398 36 PHE HZ H 6.829 . 1 
399 36 PHE C C 174.959 . 1 
400 36 PHE CA C 56.443 . 1 
401 36 PHE CB C 40.699 . 1 
402 36 PHE CD1 C 131.659 . 1 
403 36 PHE CE1 C 130.366 . 1 
404 36 PHE CZ C 128.479 . 1 
405 36 PHE N N 128.444 . 1 
406 37 GLU H H 8.850 . 1 
407 37 GLU HA H 4.830 . 1 
408 37 GLU HB2 H 2.081 . 2 
409 37 GLU HB3 H 1.999 . 2 
410 37 GLU HG2 H 2.249 . 2 
411 37 GLU HG3 H 2.249 . 2 
412 37 GLU C C 175.863 . 1 
413 37 GLU CA C 55.678 . 1 
414 37 GLU CB C 31.968 . 1 
415 37 GLU CG C 35.889 . 1 
416 37 GLU N N 120.972 . 1 
417 38 ASN H H 8.751 . 1 
418 38 ASN HA H 4.811 . 1 
419 38 ASN HB2 H 2.765 . 2 
420 38 ASN HB3 H 2.693 . 2 
421 38 ASN HD21 H 7.390 . 2 
422 38 ASN HD22 H 6.642 . 2 
423 38 ASN C C 175.233 . 1 
424 38 ASN CA C 53.041 . 1 
425 38 ASN CB C 39.350 . 1 
426 38 ASN N N 120.983 . 1 
427 38 ASN ND2 N 111.776 . 1 
428 39 GLY H H 8.852 . 1 
429 39 GLY HA2 H 3.713 . 2 
430 39 GLY HA3 H 4.007 . 2 
431 39 GLY CA C 46.389 . 1 
432 39 GLY N N 112.983 . 1 
433 40 ASN H H 8.621 . 1 
434 40 ASN HA H 4.702 . 1 
435 40 ASN HB2 H 2.617 . 2 
436 40 ASN HB3 H 2.760 . 2 
437 40 ASN HD21 H 7.448 . 2 
438 40 ASN HD22 H 6.890 . 2 
439 40 ASN C C 174.336 . 1 
440 40 ASN CA C 53.344 . 1 
441 40 ASN CB C 38.482 . 1 
442 40 ASN N N 121.824 . 1 
443 40 ASN ND2 N 112.187 . 1 
444 41 TRP H H 7.971 . 1 
445 41 TRP HA H 4.734 . 1 
446 41 TRP HB2 H 3.245 . 1 
447 41 TRP HB3 H 3.477 . 1 
448 41 TRP HD1 H 7.312 . 1 
449 41 TRP HE1 H 10.159 . 1 
450 41 TRP HE3 H 7.504 . 1 
451 41 TRP HZ2 H 7.463 . 1 
452 41 TRP HZ3 H 7.027 . 1 
453 41 TRP HH2 H 7.059 . 1 
454 41 TRP CA C 56.935 . 1 
455 41 TRP CB C 29.988 . 1 
456 41 TRP CD1 C 127.764 . 1 
457 41 TRP CE3 C 120.810 . 1 
458 41 TRP CZ2 C 114.640 . 1 
459 41 TRP CZ3 C 121.204 . 1 
460 41 TRP CH2 C 123.844 . 1 
461 41 TRP N N 120.597 . 1 
462 41 TRP NE1 N 129.361 . 1 
463 42 ASP H H 7.932 . 1 
464 42 ASP HA H 4.949 . 1 
465 42 ASP HB2 H 2.624 . 2 
466 42 ASP HB3 H 2.547 . 2 
467 42 ASP C C 174.689 . 1 
468 42 ASP CA C 53.394 . 1 
469 42 ASP CB C 42.446 . 1 
470 42 ASP N N 121.388 . 1 
471 43 LYS H H 8.383 . 1 
472 43 LYS HA H 4.347 . 1 
473 43 LYS HB2 H 1.634 . 2 
474 43 LYS HB3 H 1.527 . 2 
475 43 LYS HG2 H 1.363 . 2 
476 43 LYS HG3 H 1.363 . 2 
477 43 LYS HD2 H 1.697 . 2 
478 43 LYS HD3 H 1.697 . 2 
479 43 LYS HE2 H 2.999 . 2 
480 43 LYS HE3 H 2.999 . 2 
481 43 LYS C C 173.269 . 1 
482 43 LYS CA C 55.565 . 1 
483 43 LYS CB C 36.014 . 1 
484 43 LYS CG C 24.750 . 1 
485 43 LYS CD C 28.883 . 1 
486 43 LYS CE C 41.994 . 1 
487 43 LYS N N 120.157 . 1 
488 44 LEU H H 8.271 . 1 
489 44 LEU HA H 5.090 . 1 
490 44 LEU HB2 H 1.659 . 1 
491 44 LEU HB3 H 1.264 . 1 
492 44 LEU HG H 1.282 . 1 
493 44 LEU HD1 H 0.633 . 2 
494 44 LEU HD2 H 0.727 . 2 
495 44 LEU C C 176.212 . 1 
496 44 LEU CA C 53.413 . 1 
497 44 LEU CB C 43.359 . 1 
498 44 LEU CG C 26.697 . 1 
499 44 LEU CD1 C 24.083 . 2 
500 44 LEU CD2 C 25.388 . 2 
501 44 LEU N N 127.381 . 1 
502 45 VAL H H 9.053 . 1 
503 45 VAL HA H 4.123 . 1 
504 45 VAL HB H 1.695 . 1 
505 45 VAL HG1 H 0.392 . 2 
506 45 VAL HG2 H 0.631 . 2 
507 45 VAL C C 174.141 . 1 
508 45 VAL CA C 61.257 . 1 
509 45 VAL CB C 35.267 . 1 
510 45 VAL CG1 C 22.302 . 2 
511 45 VAL CG2 C 20.996 . 2 
512 45 VAL N N 128.928 . 1 
513 46 THR H H 8.178 . 1 
514 46 THR HA H 5.211 . 1 
515 46 THR HB H 3.789 . 1 
516 46 THR HG2 H 1.012 . 1 
517 46 THR C C 173.400 . 1 
518 46 THR CA C 61.843 . 1 
519 46 THR CB C 69.232 . 1 
520 46 THR CG2 C 22.266 . 1 
521 46 THR N N 122.218 . 1 
522 47 PHE H H 8.910 . 1 
523 47 PHE HA H 4.856 . 1 
524 47 PHE HB2 H 2.398 . 1 
525 47 PHE HB3 H 3.450 . 1 
526 47 PHE HD1 H 7.180 . 1 
527 47 PHE HD2 H 7.180 . 1 
528 47 PHE HE1 H 7.393 . 1 
529 47 PHE HE2 H 7.393 . 1 
530 47 PHE HZ H 7.092 . 1 
531 47 PHE C C 176.461 . 1 
532 47 PHE CA C 56.674 . 1 
533 47 PHE CB C 44.197 . 1 
534 47 PHE CD1 C 131.899 . 1 
535 47 PHE CE1 C 131.232 . 1 
536 47 PHE CZ C 129.538 . 1 
537 47 PHE N N 123.683 . 1 
538 48 ARG H H 9.253 . 1 
539 48 ARG HA H 4.671 . 1 
540 48 ARG HB2 H 1.830 . 1 
541 48 ARG HB3 H 2.134 . 1 
542 48 ARG HG2 H 1.900 . 2 
543 48 ARG HG3 H 1.708 . 2 
544 48 ARG HD2 H 3.282 . 2 
545 48 ARG HD3 H 3.229 . 2 
546 48 ARG C C 178.847 . 1 
547 48 ARG CA C 56.972 . 1 
548 48 ARG CB C 30.633 . 1 
549 48 ARG CG C 28.169 . 1 
550 48 ARG CD C 43.327 . 1 
551 48 ARG N N 119.790 . 1 
552 49 LEU H H 8.069 . 1 
553 49 LEU HA H 3.799 . 1 
554 49 LEU HB2 H 1.722 . 1 
555 49 LEU HB3 H 1.472 . 1 
556 49 LEU HG H 1.387 . 1 
557 49 LEU HD1 H 0.865 . 2 
558 49 LEU HD2 H 0.737 . 2 
559 49 LEU C C 178.461 . 1 
560 49 LEU CA C 58.572 . 1 
561 49 LEU CB C 40.688 . 1 
562 49 LEU CG C 27.175 . 1 
563 49 LEU CD1 C 25.355 . 2 
564 49 LEU CD2 C 23.181 . 2 
565 49 LEU N N 121.403 . 1 
566 50 SER H H 7.858 . 1 
567 50 SER HA H 4.269 . 1 
568 50 SER HB2 H 4.099 . 1 
569 50 SER HB3 H 3.867 . 1 
570 50 SER C C 175.334 . 1 
571 50 SER CA C 59.496 . 1 
572 50 SER CB C 62.312 . 1 
573 50 SER N N 108.609 . 1 
574 51 GLU H H 7.820 . 1 
575 51 GLU HA H 4.396 . 1 
576 51 GLU HB2 H 2.495 . 2 
577 51 GLU HB3 H 2.495 . 2 
578 51 GLU HG2 H 2.369 . 2 
579 51 GLU HG3 H 2.369 . 2 
580 51 GLU C C 173.857 . 1 
581 51 GLU CA C 56.235 . 1 
582 51 GLU CB C 30.627 . 1 
583 51 GLU CG C 37.927 . 1 
584 51 GLU N N 120.614 . 1 
585 52 LEU H H 7.301 . 1 
586 52 LEU HA H 5.287 . 1 
587 52 LEU HB2 H 1.757 . 1 
588 52 LEU HB3 H 0.887 . 1 
589 52 LEU HG H 1.613 . 1 
590 52 LEU HD1 H 0.672 . 2 
591 52 LEU HD2 H 0.299 . 2 
592 52 LEU C C 176.101 . 1 
593 52 LEU CA C 52.587 . 1 
594 52 LEU CB C 47.265 . 1 
595 52 LEU CG C 25.805 . 1 
596 52 LEU CD1 C 26.725 . 2 
597 52 LEU CD2 C 22.540 . 2 
598 52 LEU N N 116.595 . 1 
599 53 GLU H H 8.530 . 1 
600 53 GLU HA H 4.623 . 1 
601 53 GLU HB2 H 1.913 . 2 
602 53 GLU HB3 H 1.815 . 2 
603 53 GLU HG2 H 2.130 . 2 
604 53 GLU HG3 H 2.130 . 2 
605 53 GLU C C 174.842 . 1 
606 53 GLU CA C 54.189 . 1 
607 53 GLU CB C 33.338 . 1 
608 53 GLU CG C 35.465 . 1 
609 53 GLU N N 117.786 . 1 
610 54 ALA H H 8.779 . 1 
611 54 ALA HA H 4.629 . 1 
612 54 ALA HB H 1.329 . 1 
613 54 ALA C C 177.383 . 1 
614 54 ALA CA C 52.493 . 1 
615 54 ALA CB C 18.381 . 1 
616 54 ALA N N 126.778 . 1 
617 55 VAL H H 8.289 . 1 
618 55 VAL HA H 4.212 . 1 
619 55 VAL HB H 1.891 . 1 
620 55 VAL HG1 H 0.792 . 2 
621 55 VAL HG2 H 0.671 . 2 
622 55 VAL C C 175.240 . 1 
623 55 VAL CA C 60.843 . 1 
624 55 VAL CB C 33.682 . 1 
625 55 VAL CG1 C 21.004 . 2 
626 55 VAL CG2 C 20.113 . 2 
627 55 VAL N N 120.191 . 1 
628 56 LYS H H 8.306 . 1 
629 56 LYS HA H 4.620 . 1 
630 56 LYS HB2 H 1.819 . 2 
631 56 LYS HB3 H 1.718 . 2 
632 56 LYS HG2 H 1.468 . 2 
633 56 LYS HG3 H 1.468 . 2 
634 56 LYS HD2 H 1.698 . 2 
635 56 LYS HD3 H 1.698 . 2 
636 56 LYS HE2 H 2.939 . 2 
637 56 LYS HE3 H 2.939 . 2 
638 56 LYS CA C 53.826 . 1 
639 56 LYS CB C 32.350 . 1 
640 56 LYS CG C 24.518 . 1 
641 56 LYS CD C 29.135 . 1 
642 56 LYS CE C 42.002 . 1 
643 56 LYS N N 124.982 . 1 
644 57 PRO HA H 4.441 . 1 
645 57 PRO HB2 H 1.862 . 1 
646 57 PRO HB3 H 2.271 . 1 
647 57 PRO HG2 H 2.025 . 2 
648 57 PRO HG3 H 2.025 . 2 
649 57 PRO HD2 H 3.853 . 2 
650 57 PRO HD3 H 3.696 . 2 
651 57 PRO C C 176.796 . 1 
652 57 PRO CA C 62.753 . 1 
653 57 PRO CB C 31.969 . 1 
654 57 PRO CG C 27.150 . 1 
655 57 PRO CD C 50.670 . 1 
656 58 ILE H H 8.324 . 1 
657 58 ILE HA H 4.095 . 1 
658 58 ILE HB H 1.800 . 1 
659 58 ILE HG12 H 1.478 . 2 
660 58 ILE HG13 H 1.170 . 2 
661 58 ILE HG2 H 0.849 . 1 
662 58 ILE HD1 H 0.835 . 1 
663 58 ILE C C 176.220 . 1 
664 58 ILE CA C 61.100 . 1 
665 58 ILE CB C 38.519 . 1 
666 58 ILE CG1 C 27.177 . 1 
667 58 ILE CG2 C 17.472 . 1 
668 58 ILE CD1 C 12.712 . 1 
669 58 ILE N N 121.128 . 1 
670 59 LEU H H 8.238 . 1 
671 59 LEU HA H 4.330 . 1 
672 59 LEU HB2 H 1.564 . 2 
673 59 LEU HB3 H 1.474 . 2 
674 59 LEU HG H 1.537 . 1 
675 59 LEU HD1 H 0.884 . 2 
676 59 LEU HD2 H 0.819 . 2 
677 59 LEU C C 176.843 . 1 
678 59 LEU CA C 54.721 . 1 
679 59 LEU CB C 42.237 . 1 
680 59 LEU CG C 26.749 . 1 
681 59 LEU CD1 C 24.758 . 2 
682 59 LEU CD2 C 23.218 . 2 
683 59 LEU N N 125.747 . 1 
684 60 GLU H H 8.228 . 1 
685 60 GLU HA H 4.178 . 1 
686 60 GLU HB2 H 1.847 . 2 
687 60 GLU HB3 H 1.847 . 2 
688 60 GLU HG2 H 2.146 . 2 
689 60 GLU HG3 H 2.146 . 2 
690 60 GLU C C 175.958 . 1 
691 60 GLU CA C 56.036 . 1 
692 60 GLU CB C 30.191 . 1 
693 60 GLU CG C 35.675 . 1 
694 60 GLU N N 121.370 . 1 
695 61 HIS H H 8.450 . 1 
696 61 HIS CA C 55.246 . 1 
697 61 HIS CB C 29.434 . 1 
698 61 HIS N N 119.627 . 1 
cwd: /data/PSVS/PSVS-v1.4-dev/results/SGR42_R3Cons_em_bcr3
command to execute is:
/farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign -c /data/PSVS/PSVS-v1.4-dev/results/SGR42_R3Cons_em_bcr3/rpf_calc/input/ctrl_file -o rpf_calc -q SGR42_R3Cons_em_bcr3.pdb.iupac  2>&1|

 ASDP Version 1.0 Copyright(C) 2010
     Center for Advanced Biotechnology and Medicine (CABM)
     Rutgers University

 Reading Control_File ...                          Doing SimpleMatch for n.peaks ...                                     Doing SimpleMatch for c_aro.peaks ...                                         Doing SimpleMatch for c_ali.peaks ...                                         Reading ComparePdbFile: SGR42_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SGR42_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SGR42_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SGR42_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SGR42_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SGR42_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SGR42_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SGR42_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SGR42_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SGR42_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SGR42_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SGR42_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SGR42_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SGR42_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SGR42_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SGR42_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SGR42_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SGR42_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SGR42_R3Cons_em_bcr3.pdb.iupac                                                        Reading ComparePdbFile: SGR42_R3Cons_em_bcr3.pdb.iupac                                                        quality-estimation for n.peaks ...                                      Doing Recall analysis for n.peaks ...                                       Doing Precision analysis for n.peaks ...                                          Doing Recall analysis for n.peaks ...                                       Doing Precision analysis for n.peaks ...                                         prtSimleMatchPeakAtom for n.peaks ...                                        quality-estimation for c_aro.peaks ...                                          Doing Recall analysis for c_aro.peaks ...                                           Doing Precision analysis for c_aro.peaks ...                                              Doing Recall analysis for c_aro.peaks ...                                           Doing Precision analysis for c_aro.peaks ...                                             prtSimleMatchPeakAtom for c_aro.peaks ...                                            quality-estimation for c_ali.peaks ...                                          Doing Recall analysis for c_ali.peaks ...                                           Doing Precision analysis for c_ali.peaks ...                                              Doing Recall analysis for c_ali.peaks ...                                           Doing Precision analysis for c_ali.peaks ...                                             prtSimleMatchPeakAtom for c_ali.peaks ...