AS object created. control filepath is: /data/PSVS/PSVS-v1.4-dev/results/MRR110B_NMR_em_bcr3/rpf_calc/input/ctrl_file bmrb: chem_shift.bmrb sequence: MRR110B_NMR_em_bcr3_seq.bmrb parsing bmrb: /data/PSVS/PSVS-v1.4-dev/results/MRR110B_NMR_em_bcr3/rpf_calc/input/chem_shift.bmrb new residue 1 adding: *1* *1* *Met* *HA* *H* *4.017* *.* *1* old residue 1 adding: *2* *1* *Met* *HB2* *H* *2.062* *.* *2* old residue 1 adding: *3* *1* *Met* *HB3* *H* *1.985* *.* *2* old residue 1 adding: *4* *1* *Met* *HG2* *H* *2.456* *.* *2* old residue 1 adding: *5* *1* *Met* *HG3* *H* *2.170* *.* *2* old residue 1 adding: *6* *1* *Met* *HE* *H* *2.011* *.* *1* old residue 1 adding: *7* *1* *Met* *C* *C* *171.197* *.* *1* old residue 1 adding: *8* *1* *Met* *CA* *C* *54.771* *.* *1* old residue 1 adding: *9* *1* *Met* *CB* *C* *32.726* *.* *1* old residue 1 adding: *10* *1* *Met* *CG* *C* *31.029* *.* *1* old residue 1 adding: *11* *1* *Met* *CE* *C* *16.794* *.* *1* new residue 2 adding: *12* *2* *Asn* *H* *H* *8.463* *.* *1* old residue 2 adding: *13* *2* *Asn* *HA* *H* *5.267* *.* *1* old residue 2 adding: *14* *2* *Asn* *HB2* *H* *2.632* *.* *2* old residue 2 adding: *15* *2* *Asn* *HB3* *H* *2.536* *.* *2* old residue 2 adding: *16* *2* *Asn* *HD21* *H* *7.476* *.* *1* old residue 2 adding: *17* *2* *Asn* *HD22* *H* *6.855* *.* *1* old residue 2 adding: *18* *2* *Asn* *C* *C* *174.227* *.* *1* old residue 2 adding: *19* *2* *Asn* *CA* *C* *52.632* *.* *1* old residue 2 adding: *20* *2* *Asn* *CB* *C* *39.376* *.* *1* old residue 2 adding: *21* *2* *Asn* *CG* *C* *176.802* *.* *1* old residue 2 adding: *22* *2* *Asn* *N* *N* *123.179* *.* *1* old residue 2 adding: *23* *2* *Asn* *ND2* *N* *112.342* *.* *1* new residue 3 adding: *24* *3* *Tyr* *H* *H* *8.841* *.* *1* old residue 3 adding: *25* *3* *Tyr* *HA* *H* *4.761* *.* *1* old residue 3 adding: *26* *3* *Tyr* *HB2* *H* *3.183* *.* *2* old residue 3 adding: *27* *3* *Tyr* *HB3* *H* *2.121* *.* *2* old residue 3 adding: *28* *3* *Tyr* *HD1* *H* *6.917* *.* *3* old residue 3 adding: *29* *3* *Tyr* *HD2* *H* *6.917* *.* *3* old residue 3 adding: *30* *3* *Tyr* *HE1* *H* *6.800* *.* *3* old residue 3 adding: *31* *3* *Tyr* *HE2* *H* *6.800* *.* *3* old residue 3 adding: *32* *3* *Tyr* *C* *C* *176.995* *.* *1* old residue 3 adding: *33* *3* *Tyr* *CA* *C* *57.652* *.* *1* old residue 3 adding: *34* *3* *Tyr* *CB* *C* *42.984* *.* *1* old residue 3 adding: *35* *3* *Tyr* *CD1* *C* *132.912* *.* *3* old residue 3 adding: *36* *3* *Tyr* *CD2* *C* *132.912* *.* *3* old residue 3 adding: *37* *3* *Tyr* *CE1* *C* *117.910* *.* *3* old residue 3 adding: *38* *3* *Tyr* *CE2* *C* *117.910* *.* *3* old residue 3 adding: *39* *3* *Tyr* *N* *N* *120.086* *.* *1* new residue 4 adding: *40* *4* *Lys* *H* *H* *8.789* *.* *1* old residue 4 adding: *41* *4* *Lys* *HA* *H* *4.550* *.* *1* old residue 4 adding: *42* *4* *Lys* *HB2* *H* *2.407* *.* *2* old residue 4 adding: *43* *4* *Lys* *HB3* *H* *1.562* *.* *2* old residue 4 adding: *44* *4* *Lys* *HG2* *H* *1.547* *.* *2* old residue 4 adding: *45* *4* *Lys* *HG3* *H* *1.547* *.* *2* old residue 4 adding: *46* *4* *Lys* *HD2* *H* *1.798* *.* *2* old residue 4 adding: *47* *4* *Lys* *HD3* *H* *1.609* *.* *2* old residue 4 adding: *48* *4* *Lys* *HE2* *H* *2.999* *.* *2* old residue 4 adding: *49* *4* *Lys* *HE3* *H* *3.000* *.* *2* old residue 4 adding: *50* *4* *Lys* *C* *C* *179.049* *.* *1* old residue 4 adding: *51* *4* *Lys* *CA* *C* *53.898* *.* *1* old residue 4 adding: *52* *4* *Lys* *CB* *C* *32.017* *.* *1* old residue 4 adding: *53* *4* *Lys* *CG* *C* *24.489* *.* *1* old residue 4 adding: *54* *4* *Lys* *CD* *C* *27.930* *.* *1* old residue 4 adding: *55* *4* *Lys* *CE* *C* *42.170* *.* *1* old residue 4 adding: *56* *4* *Lys* *N* *N* *120.118* *.* *1* new residue 5 adding: *57* *5* *Ile* *H* *H* *10.387* *.* *1* old residue 5 adding: *58* *5* *Ile* *HA* *H* *3.306* *.* *1* old residue 5 adding: *59* *5* *Ile* *HB* *H* *1.636* *.* *1* old residue 5 adding: *60* *5* *Ile* *HG12* *H* *1.703* *.* *2* old residue 5 adding: *61* *5* *Ile* *HG13* *H* *0.553* *.* *2* old residue 5 adding: *62* *5* *Ile* *HG2* *H* *0.490* *.* *1* old residue 5 adding: *63* *5* *Ile* *HD1* *H* *0.666* *.* *1* old residue 5 adding: *64* *5* *Ile* *C* *C* *179.084* *.* *1* old residue 5 adding: *65* *5* *Ile* *CA* *C* *66.840* *.* *1* old residue 5 adding: *66* *5* *Ile* *CB* *C* *36.598* *.* *1* old residue 5 adding: *67* *5* *Ile* *CG1* *C* *32.516* *.* *1* old residue 5 adding: *68* *5* *Ile* *CG2* *C* *17.612* *.* *1* old residue 5 adding: *69* *5* *Ile* *CD1* *C* *13.853* *.* *1* old residue 5 adding: *70* *5* *Ile* *N* *N* *126.013* *.* *1* new residue 6 adding: *71* *6* *Ser* *H* *H* *8.986* *.* *1* old residue 6 adding: *72* *6* *Ser* *HA* *H* *4.087* *.* *1* old residue 6 adding: *73* *6* *Ser* *HB2* *H* *4.072* *.* *2* old residue 6 adding: *74* *6* *Ser* *HB3* *H* *3.731* *.* *2* old residue 6 adding: *75* *6* *Ser* *C* *C* *175.744* *.* *1* old residue 6 adding: *76* *6* *Ser* *CA* *C* *60.449* *.* *1* old residue 6 adding: *77* *6* *Ser* *CB* *C* *62.537* *.* *1* old residue 6 adding: *78* *6* *Ser* *N* *N* *115.336* *.* *1* new residue 7 adding: *79* *7* *Glu* *H* *H* *7.790* *.* *1* old residue 7 adding: *80* *7* *Glu* *HA* *H* *4.254* *.* *1* old residue 7 adding: *81* *7* *Glu* *HB2* *H* *2.486* *.* *2* old residue 7 adding: *82* *7* *Glu* *HB3* *H* *2.262* *.* *2* old residue 7 adding: *83* *7* *Glu* *HG2* *H* *2.286* *.* *2* old residue 7 adding: *84* *7* *Glu* *HG3* *H* *2.286* *.* *2* old residue 7 adding: *85* *7* *Glu* *C* *C* *176.407* *.* *1* old residue 7 adding: *86* *7* *Glu* *CA* *C* *56.032* *.* *1* old residue 7 adding: *87* *7* *Glu* *CB* *C* *31.225* *.* *1* old residue 7 adding: *88* *7* *Glu* *CG* *C* *37.223* *.* *1* old residue 7 adding: *89* *7* *Glu* *N* *N* *120.530* *.* *1* new residue 8 adding: *90* *8* *Leu* *H* *H* *7.258* *.* *1* old residue 8 adding: *91* *8* *Leu* *HA* *H* *3.595* *.* *1* old residue 8 adding: *92* *8* *Leu* *HB2* *H* *1.772* *.* *2* old residue 8 adding: *93* *8* *Leu* *HB3* *H* *0.956* *.* *2* old residue 8 adding: *94* *8* *Leu* *HG* *H* *1.839* *.* *1* old residue 8 adding: *95* *8* *Leu* *HD1* *H* *0.681* *.* *1* old residue 8 adding: *96* *8* *Leu* *HD2* *H* *0.240* *.* *1* old residue 8 adding: *97* *8* *Leu* *C* *C* *175.074* *.* *1* old residue 8 adding: *98* *8* *Leu* *CA* *C* *55.412* *.* *1* old residue 8 adding: *99* *8* *Leu* *CB* *C* *41.939* *.* *1* old residue 8 adding: *100* *8* *Leu* *CG* *C* *25.764* *.* *1* old residue 8 adding: *101* *8* *Leu* *CD1* *C* *26.660* *.* *1* old residue 8 adding: *102* *8* *Leu* *CD2* *C* *21.357* *.* *1* old residue 8 adding: *103* *8* *Leu* *N* *N* *116.521* *.* *1* new residue 9 adding: *104* *9* *Met* *H* *H* *6.468* *.* *1* old residue 9 adding: *105* *9* *Met* *HA* *H* *4.734* *.* *1* old residue 9 adding: *106* *9* *Met* *HB2* *H* *2.047* *.* *2* old residue 9 adding: *107* *9* *Met* *HB3* *H* *1.691* *.* *2* old residue 9 adding: *108* *9* *Met* *HG2* *H* *2.470* *.* *2* old residue 9 adding: *109* *9* *Met* *HG3* *H* *2.399* *.* *2* old residue 9 adding: *110* *9* *Met* *HE* *H* *2.084* *.* *1* old residue 9 adding: *111* *9* *Met* *C* *C* *171.512* *.* *1* old residue 9 adding: *112* *9* *Met* *CA* *C* *52.425* *.* *1* old residue 9 adding: *113* *9* *Met* *CB* *C* *34.417* *.* *1* old residue 9 adding: *114* *9* *Met* *CG* *C* *31.409* *.* *1* old residue 9 adding: *115* *9* *Met* *CE* *C* *17.197* *.* *1* old residue 9 adding: *116* *9* *Met* *N* *N* *116.450* *.* *1* new residue 10 adding: *117* *10* *Pro* *HA* *H* *3.771* *.* *1* old residue 10 adding: *118* *10* *Pro* *HB2* *H* *2.153* *.* *2* old residue 10 adding: *119* *10* *Pro* *HB3* *H* *1.870* *.* *2* old residue 10 adding: *120* *10* *Pro* *HG2* *H* *2.145* *.* *2* old residue 10 adding: *121* *10* *Pro* *HG3* *H* *1.737* *.* *2* old residue 10 adding: *122* *10* *Pro* *HD2* *H* *3.695* *.* *2* old residue 10 adding: *123* *10* *Pro* *HD3* *H* *3.572* *.* *2* old residue 10 adding: *124* *10* *Pro* *C* *C* *175.996* *.* *1* old residue 10 adding: *125* *10* *Pro* *CA* *C* *63.680* *.* *1* old residue 10 adding: *126* *10* *Pro* *CB* *C* *31.982* *.* *1* old residue 10 adding: *127* *10* *Pro* *CG* *C* *28.056* *.* *1* old residue 10 adding: *128* *10* *Pro* *CD* *C* *50.234* *.* *1* new residue 11 adding: *129* *11* *Asn* *H* *H* *8.810* *.* *1* old residue 11 adding: *130* *11* *Asn* *HA* *H* *4.203* *.* *1* old residue 11 adding: *131* *11* *Asn* *HB2* *H* *3.181* *.* *2* old residue 11 adding: *132* *11* *Asn* *HB3* *H* *3.117* *.* *2* old residue 11 adding: *133* *11* *Asn* *HD21* *H* *7.687* *.* *1* old residue 11 adding: *134* *11* *Asn* *HD22* *H* *7.076* *.* *1* old residue 11 adding: *135* *11* *Asn* *C* *C* *173.628* *.* *1* old residue 11 adding: *136* *11* *Asn* *CA* *C* *54.925* *.* *1* old residue 11 adding: *137* *11* *Asn* *CB* *C* *36.745* *.* *1* old residue 11 adding: *138* *11* *Asn* *CG* *C* *178.798* *.* *1* old residue 11 adding: *139* *11* *Asn* *N* *N* *114.771* *.* *1* old residue 11 adding: *140* *11* *Asn* *ND2* *N* *114.671* *.* *1* new residue 12 adding: *141* *12* *Leu* *H* *H* *7.161* *.* *1* old residue 12 adding: *142* *12* *Leu* *HA* *H* *4.535* *.* *1* old residue 12 adding: *143* *12* *Leu* *HB2* *H* *1.481* *.* *2* old residue 12 adding: *144* *12* *Leu* *HB3* *H* *1.384* *.* *2* old residue 12 adding: *145* *12* *Leu* *HG* *H* *1.470* *.* *1* old residue 12 adding: *146* *12* *Leu* *HD1* *H* *0.708* *.* *1* old residue 12 adding: *147* *12* *Leu* *HD2* *H* *0.571* *.* *1* old residue 12 adding: *148* *12* *Leu* *C* *C* *175.160* *.* *1* old residue 12 adding: *149* *12* *Leu* *CA* *C* *54.404* *.* *1* old residue 12 adding: *150* *12* *Leu* *CB* *C* *45.093* *.* *1* old residue 12 adding: *151* *12* *Leu* *CG* *C* *26.428* *.* *1* old residue 12 adding: *152* *12* *Leu* *CD1* *C* *24.787* *.* *1* old residue 12 adding: *153* *12* *Leu* *CD2* *C* *24.811* *.* *1* old residue 12 adding: *154* *12* *Leu* *N* *N* *119.367* *.* *1* new residue 13 adding: *155* *13* *Ser* *H* *H* *8.245* *.* *1* old residue 13 adding: *156* *13* *Ser* *HA* *H* *5.543* *.* *1* old residue 13 adding: *157* *13* *Ser* *HB2* *H* *3.767* *.* *2* old residue 13 adding: *158* *13* *Ser* *HB3* *H* *3.705* *.* *2* old residue 13 adding: *159* *13* *Ser* *C* *C* *174.446* *.* *1* old residue 13 adding: *160* *13* *Ser* *CA* *C* *56.434* *.* *1* old residue 13 adding: *161* *13* *Ser* *CB* *C* *64.900* *.* *1* old residue 13 adding: *162* *13* *Ser* *N* *N* *116.161* *.* *1* new residue 14 adding: *163* *14* *Gly* *H* *H* *8.559* *.* *1* old residue 14 adding: *164* *14* *Gly* *HA2* *H* *4.574* *.* *2* old residue 14 adding: *165* *14* *Gly* *HA3* *H* *4.107* *.* *2* old residue 14 adding: *166* *14* *Gly* *C* *C* *170.848* *.* *1* old residue 14 adding: *167* *14* *Gly* *CA* *C* *45.998* *.* *1* old residue 14 adding: *168* *14* *Gly* *N* *N* *110.197* *.* *1* new residue 15 adding: *169* *15* *Thr* *H* *H* *8.296* *.* *1* old residue 15 adding: *170* *15* *Thr* *HA* *H* *5.536* *.* *1* old residue 15 adding: *171* *15* *Thr* *HB* *H* *3.835* *.* *1* old residue 15 adding: *172* *15* *Thr* *HG2* *H* *1.078* *.* *1* old residue 15 adding: *173* *15* *Thr* *C* *C* *173.498* *.* *1* old residue 15 adding: *174* *15* *Thr* *CA* *C* *61.739* *.* *1* old residue 15 adding: *175* *15* *Thr* *CB* *C* *71.682* *.* *1* old residue 15 adding: *176* *15* *Thr* *CG2* *C* *22.350* *.* *1* old residue 15 adding: *177* *15* *Thr* *N* *N* *116.140* *.* *1* new residue 16 adding: *178* *16* *Ile* *H* *H* *9.269* *.* *1* old residue 16 adding: *179* *16* *Ile* *HA* *H* *5.055* *.* *1* old residue 16 adding: *180* *16* *Ile* *HB* *H* *1.903* *.* *1* old residue 16 adding: *181* *16* *Ile* *HG12* *H* *1.307* *.* *2* old residue 16 adding: *182* *16* *Ile* *HG13* *H* *1.065* *.* *2* old residue 16 adding: *183* *16* *Ile* *HG2* *H* *0.776* *.* *1* old residue 16 adding: *184* *16* *Ile* *HD1* *H* *0.553* *.* *1* old residue 16 adding: *185* *16* *Ile* *C* *C* *174.191* *.* *1* old residue 16 adding: *186* *16* *Ile* *CA* *C* *59.046* *.* *1* old residue 16 adding: *187* *16* *Ile* *CB* *C* *41.625* *.* *1* old residue 16 adding: *188* *16* *Ile* *CG1* *C* *26.197* *.* *1* old residue 16 adding: *189* *16* *Ile* *CG2* *C* *17.508* *.* *1* old residue 16 adding: *190* *16* *Ile* *CD1* *C* *14.331* *.* *1* old residue 16 adding: *191* *16* *Ile* *N* *N* *118.939* *.* *1* new residue 17 adding: *192* *17* *Asn* *H* *H* *8.962* *.* *1* old residue 17 adding: *193* *17* *Asn* *HA* *H* *5.554* *.* *1* old residue 17 adding: *194* *17* *Asn* *HB2* *H* *2.682* *.* *2* old residue 17 adding: *195* *17* *Asn* *HB3* *H* *2.486* *.* *2* old residue 17 adding: *196* *17* *Asn* *HD21* *H* *7.302* *.* *1* old residue 17 adding: *197* *17* *Asn* *HD22* *H* *6.848* *.* *1* old residue 17 adding: *198* *17* *Asn* *C* *C* *173.926* *.* *1* old residue 17 adding: *199* *17* *Asn* *CA* *C* *52.512* *.* *1* old residue 17 adding: *200* *17* *Asn* *CB* *C* *40.602* *.* *1* old residue 17 adding: *201* *17* *Asn* *CG* *C* *176.690* *.* *1* old residue 17 adding: *202* *17* *Asn* *N* *N* *122.622* *.* *1* old residue 17 adding: *203* *17* *Asn* *ND2* *N* *109.841* *.* *1* new residue 18 adding: *204* *18* *Ala* *H* *H* *9.124* *.* *1* old residue 18 adding: *205* *18* *Ala* *HA* *H* *4.908* *.* *1* old residue 18 adding: *206* *18* *Ala* *HB* *H* *1.189* *.* *1* old residue 18 adding: *207* *18* *Ala* *C* *C* *174.207* *.* *1* old residue 18 adding: *208* *18* *Ala* *CA* *C* *50.697* *.* *1* old residue 18 adding: *209* *18* *Ala* *CB* *C* *24.641* *.* *1* old residue 18 adding: *210* *18* *Ala* *N* *N* *124.290* *.* *1* new residue 19 adding: *211* *19* *Glu* *H* *H* *9.039* *.* *1* old residue 19 adding: *212* *19* *Glu* *HA* *H* *4.814* *.* *1* old residue 19 adding: *213* *19* *Glu* *HB2* *H* *1.942* *.* *2* old residue 19 adding: *214* *19* *Glu* *HB3* *H* *1.935* *.* *2* old residue 19 adding: *215* *19* *Glu* *HG2* *H* *2.052* *.* *2* old residue 19 adding: *216* *19* *Glu* *HG3* *H* *2.052* *.* *2* old residue 19 adding: *217* *19* *Glu* *C* *C* *176.585* *.* *1* old residue 19 adding: *218* *19* *Glu* *CA* *C* *54.930* *.* *1* old residue 19 adding: *219* *19* *Glu* *CB* *C* *31.588* *.* *1* old residue 19 adding: *220* *19* *Glu* *CG* *C* *36.133* *.* *1* old residue 19 adding: *221* *19* *Glu* *N* *N* *121.340* *.* *1* new residue 20 adding: *222* *20* *Val* *H* *H* *9.261* *.* *1* old residue 20 adding: *223* *20* *Val* *HA* *H* *4.170* *.* *1* old residue 20 adding: *224* *20* *Val* *HB* *H* *2.433* *.* *1* old residue 20 adding: *225* *20* *Val* *HG1* *H* *0.692* *.* *1* old residue 20 adding: *226* *20* *Val* *HG2* *H* *0.821* *.* *1* old residue 20 adding: *227* *20* *Val* *C* *C* *176.244* *.* *1* old residue 20 adding: *228* *20* *Val* *CA* *C* *62.905* *.* *1* old residue 20 adding: *229* *20* *Val* *CB* *C* *30.719* *.* *1* old residue 20 adding: *230* *20* *Val* *CG1* *C* *22.153* *.* *1* old residue 20 adding: *231* *20* *Val* *CG2* *C* *20.574* *.* *1* old residue 20 adding: *232* *20* *Val* *N* *N* *126.296* *.* *1* new residue 21 adding: *233* *21* *Val* *H* *H* *9.145* *.* *1* old residue 21 adding: *234* *21* *Val* *HA* *H* *4.149* *.* *1* old residue 21 adding: *235* *21* *Val* *HB* *H* *1.999* *.* *1* old residue 21 adding: *236* *21* *Val* *HG1* *H* *0.959* *.* *1* old residue 21 adding: *237* *21* *Val* *HG2* *H* *0.871* *.* *1* old residue 21 adding: *238* *21* *Val* *C* *C* *175.818* *.* *1* old residue 21 adding: *239* *21* *Val* *CA* *C* *63.590* *.* *1* old residue 21 adding: *240* *21* *Val* *CB* *C* *32.532* *.* *1* old residue 21 adding: *241* *21* *Val* *CG1* *C* *21.689* *.* *1* old residue 21 adding: *242* *21* *Val* *CG2* *C* *21.608* *.* *1* old residue 21 adding: *243* *21* *Val* *N* *N* *130.990* *.* *1* new residue 22 adding: *244* *22* *Ala* *H* *H* *7.767* *.* *1* old residue 22 adding: *245* *22* *Ala* *HA* *H* *4.358* *.* *1* old residue 22 adding: *246* *22* *Ala* *HB* *H* *1.205* *.* *1* old residue 22 adding: *247* *22* *Ala* *C* *C* *174.363* *.* *1* old residue 22 adding: *248* *22* *Ala* *CA* *C* *52.283* *.* *1* old residue 22 adding: *249* *22* *Ala* *CB* *C* *22.673* *.* *1* old residue 22 adding: *250* *22* *Ala* *N* *N* *118.623* *.* *1* new residue 23 adding: *251* *23* *Ala* *H* *H* *8.497* *.* *1* old residue 23 adding: *252* *23* *Ala* *HA* *H* *4.758* *.* *1* old residue 23 adding: *253* *23* *Ala* *HB* *H* *1.119* *.* *1* old residue 23 adding: *254* *23* *Ala* *C* *C* *175.197* *.* *1* old residue 23 adding: *255* *23* *Ala* *CA* *C* *51.244* *.* *1* old residue 23 adding: *256* *23* *Ala* *CB* *C* *21.158* *.* *1* old residue 23 adding: *257* *23* *Ala* *N* *N* *124.528* *.* *1* new residue 24 adding: *258* *24* *Tyr* *H* *H* *8.102* *.* *1* old residue 24 adding: *259* *24* *Tyr* *HA* *H* *4.787* *.* *1* old residue 24 adding: *260* *24* *Tyr* *HB2* *H* *3.233* *.* *2* old residue 24 adding: *261* *24* *Tyr* *HB3* *H* *3.023* *.* *2* old residue 24 adding: *262* *24* *Tyr* *HD1* *H* *7.092* *.* *3* old residue 24 adding: *263* *24* *Tyr* *HD2* *H* *7.092* *.* *3* old residue 24 adding: *264* *24* *Tyr* *HE1* *H* *6.664* *.* *3* old residue 24 adding: *265* *24* *Tyr* *HE2* *H* *6.664* *.* *3* old residue 24 adding: *266* *24* *Tyr* *C* *C* *173.124* *.* *1* old residue 24 adding: *267* *24* *Tyr* *CA* *C* *57.008* *.* *1* old residue 24 adding: *268* *24* *Tyr* *CB* *C* *37.376* *.* *1* old residue 24 adding: *269* *24* *Tyr* *CD1* *C* *132.659* *.* *3* old residue 24 adding: *270* *24* *Tyr* *CD2* *C* *132.659* *.* *3* old residue 24 adding: *271* *24* *Tyr* *CE1* *C* *118.138* *.* *3* old residue 24 adding: *272* *24* *Tyr* *CE2* *C* *118.138* *.* *3* old residue 24 adding: *273* *24* *Tyr* *N* *N* *124.067* *.* *1* new residue 25 adding: *274* *25* *Pro* *HA* *H* *4.504* *.* *1* old residue 25 adding: *275* *25* *Pro* *HB2* *H* *2.455* *.* *2* old residue 25 adding: *276* *25* *Pro* *HB3* *H* *1.887* *.* *2* old residue 25 adding: *277* *25* *Pro* *HG2* *H* *2.200* *.* *2* old residue 25 adding: *278* *25* *Pro* *HG3* *H* *2.102* *.* *2* old residue 25 adding: *279* *25* *Pro* *HD2* *H* *4.019* *.* *2* old residue 25 adding: *280* *25* *Pro* *HD3* *H* *3.829* *.* *2* old residue 25 adding: *281* *25* *Pro* *C* *C* *177.481* *.* *1* old residue 25 adding: *282* *25* *Pro* *CA* *C* *62.781* *.* *1* old residue 25 adding: *283* *25* *Pro* *CB* *C* *32.106* *.* *1* old residue 25 adding: *284* *25* *Pro* *CG* *C* *28.139* *.* *1* old residue 25 adding: *285* *25* *Pro* *CD* *C* *50.612* *.* *1* new residue 26 adding: *286* *26* *Lys* *H* *H* *8.728* *.* *1* old residue 26 adding: *287* *26* *Lys* *HA* *H* *4.570* *.* *1* old residue 26 adding: *288* *26* *Lys* *HB2* *H* *1.761* *.* *2* old residue 26 adding: *289* *26* *Lys* *HB3* *H* *1.761* *.* *2* old residue 26 adding: *290* *26* *Lys* *HG2* *H* *1.328* *.* *2* old residue 26 adding: *291* *26* *Lys* *HG3* *H* *1.328* *.* *2* old residue 26 adding: *292* *26* *Lys* *HD2* *H* *1.542* *.* *2* old residue 26 adding: *293* *26* *Lys* *HD3* *H* *1.276* *.* *2* old residue 26 adding: *294* *26* *Lys* *HE2* *H* *2.919* *.* *2* old residue 26 adding: *295* *26* *Lys* *HE3* *H* *2.739* *.* *2* old residue 26 adding: *296* *26* *Lys* *C* *C* *175.320* *.* *1* old residue 26 adding: *297* *26* *Lys* *CA* *C* *57.293* *.* *1* old residue 26 adding: *298* *26* *Lys* *CB* *C* *33.355* *.* *1* old residue 26 adding: *299* *26* *Lys* *CG* *C* *25.073* *.* *1* old residue 26 adding: *300* *26* *Lys* *CD* *C* *29.604* *.* *1* old residue 26 adding: *301* *26* *Lys* *CE* *C* *42.004* *.* *1* old residue 26 adding: *302* *26* *Lys* *N* *N* *122.955* *.* *1* new residue 27 adding: *303* *27* *Lys* *H* *H* *9.241* *.* *1* old residue 27 adding: *304* *27* *Lys* *HA* *H* *4.795* *.* *1* old residue 27 adding: *305* *27* *Lys* *HB2* *H* *1.888* *.* *2* old residue 27 adding: *306* *27* *Lys* *HB3* *H* *1.742* *.* *2* old residue 27 adding: *307* *27* *Lys* *HG2* *H* *1.495* *.* *2* old residue 27 adding: *308* *27* *Lys* *HG3* *H* *1.495* *.* *2* old residue 27 adding: *309* *27* *Lys* *HD2* *H* *1.712* *.* *2* old residue 27 adding: *310* *27* *Lys* *HD3* *H* *1.712* *.* *2* old residue 27 adding: *311* *27* *Lys* *HE2* *H* *2.989* *.* *2* old residue 27 adding: *312* *27* *Lys* *HE3* *H* *2.989* *.* *2* old residue 27 adding: *313* *27* *Lys* *C* *C* *175.096* *.* *1* old residue 27 adding: *314* *27* *Lys* *CA* *C* *54.728* *.* *1* old residue 27 adding: *315* *27* *Lys* *CB* *C* *36.069* *.* *1* old residue 27 adding: *316* *27* *Lys* *CG* *C* *24.544* *.* *1* old residue 27 adding: *317* *27* *Lys* *CD* *C* *29.169* *.* *1* old residue 27 adding: *318* *27* *Lys* *CE* *C* *42.182* *.* *1* old residue 27 adding: *319* *27* *Lys* *N* *N* *124.071* *.* *1* new residue 28 adding: *320* *28* *Glu* *H* *H* *8.547* *.* *1* old residue 28 adding: *321* *28* *Glu* *HA* *H* *5.151* *.* *1* old residue 28 adding: *322* *28* *Glu* *HB2* *H* *2.020* *.* *2* old residue 28 adding: *323* *28* *Glu* *HB3* *H* *2.020* *.* *2* old residue 28 adding: *324* *28* *Glu* *HG2* *H* *2.294* *.* *2* old residue 28 adding: *325* *28* *Glu* *HG3* *H* *2.243* *.* *2* old residue 28 adding: *326* *28* *Glu* *C* *C* *175.978* *.* *1* old residue 28 adding: *327* *28* *Glu* *CA* *C* *55.179* *.* *1* old residue 28 adding: *328* *28* *Glu* *CB* *C* *32.453* *.* *1* old residue 28 adding: *329* *28* *Glu* *CG* *C* *37.240* *.* *1* old residue 28 adding: *330* *28* *Glu* *N* *N* *121.689* *.* *1* new residue 29 adding: *331* *29* *Phe* *H* *H* *8.174* *.* *1* old residue 29 adding: *332* *29* *Phe* *HA* *H* *5.053* *.* *1* old residue 29 adding: *333* *29* *Phe* *HB2* *H* *3.174* *.* *2* old residue 29 adding: *334* *29* *Phe* *HB3* *H* *2.967* *.* *2* old residue 29 adding: *335* *29* *Phe* *HD1* *H* *6.933* *.* *3* old residue 29 adding: *336* *29* *Phe* *HD2* *H* *6.933* *.* *3* old residue 29 adding: *337* *29* *Phe* *HE1* *H* *7.341* *.* *3* old residue 29 adding: *338* *29* *Phe* *HE2* *H* *7.341* *.* *3* old residue 29 adding: *339* *29* *Phe* *HZ* *H* *7.561* *.* *1* old residue 29 adding: *340* *29* *Phe* *C* *C* *173.242* *.* *1* old residue 29 adding: *341* *29* *Phe* *CA* *C* *56.071* *.* *1* old residue 29 adding: *342* *29* *Phe* *CB* *C* *41.617* *.* *1* old residue 29 adding: *343* *29* *Phe* *CD1* *C* *132.509* *.* *3* old residue 29 adding: *344* *29* *Phe* *CD2* *C* *132.509* *.* *3* old residue 29 adding: *345* *29* *Phe* *CE1* *C* *131.108* *.* *3* old residue 29 adding: *346* *29* *Phe* *CE2* *C* *131.108* *.* *3* old residue 29 adding: *347* *29* *Phe* *CZ* *C* *129.952* *.* *1* old residue 29 adding: *348* *29* *Phe* *N* *N* *119.486* *.* *1* new residue 30 adding: *349* *30* *Ser* *H* *H* *8.793* *.* *1* old residue 30 adding: *350* *30* *Ser* *HA* *H* *4.938* *.* *1* old residue 30 adding: *351* *30* *Ser* *HB2* *H* *3.837* *.* *2* old residue 30 adding: *352* *30* *Ser* *HB3* *H* *3.767* *.* *2* old residue 30 adding: *353* *30* *Ser* *C* *C* *174.676* *.* *1* old residue 30 adding: *354* *30* *Ser* *CA* *C* *57.827* *.* *1* old residue 30 adding: *355* *30* *Ser* *CB* *C* *64.459* *.* *1* old residue 30 adding: *356* *30* *Ser* *N* *N* *116.274* *.* *1* new residue 31 adding: *357* *31* *Arg* *H* *H* *8.913* *.* *1* old residue 31 adding: *358* *31* *Arg* *HA* *H* *4.633* *.* *1* old residue 31 adding: *359* *31* *Arg* *HB2* *H* *1.963* *.* *2* old residue 31 adding: *360* *31* *Arg* *HB3* *H* *1.963* *.* *2* old residue 31 adding: *361* *31* *Arg* *HG2* *H* *1.657* *.* *2* old residue 31 adding: *362* *31* *Arg* *HG3* *H* *1.500* *.* *2* old residue 31 adding: *363* *31* *Arg* *HD2* *H* *3.160* *.* *2* old residue 31 adding: *364* *31* *Arg* *HD3* *H* *3.105* *.* *2* old residue 31 adding: *365* *31* *Arg* *HE* *H* *7.184* *.* *1* old residue 31 adding: *366* *31* *Arg* *C* *C* *178.573* *.* *1* old residue 31 adding: *367* *31* *Arg* *CA* *C* *55.863* *.* *1* old residue 31 adding: *368* *31* *Arg* *CB* *C* *31.642* *.* *1* old residue 31 adding: *369* *31* *Arg* *CG* *C* *28.724* *.* *1* old residue 31 adding: *370* *31* *Arg* *CD* *C* *43.392* *.* *1* old residue 31 adding: *371* *31* *Arg* *N* *N* *123.734* *.* *1* old residue 31 adding: *372* *31* *Arg* *NE* *N* *84.776* *.* *1* new residue 32 adding: *373* *32* *Lys* *H* *H* *8.896* *.* *1* old residue 32 adding: *374* *32* *Lys* *HA* *H* *4.095* *.* *1* old residue 32 adding: *375* *32* *Lys* *HB2* *H* *1.890* *.* *2* old residue 32 adding: *376* *32* *Lys* *HB3* *H* *1.890* *.* *2* old residue 32 adding: *377* *32* *Lys* *HG2* *H* *1.546* *.* *2* old residue 32 adding: *378* *32* *Lys* *HG3* *H* *1.520* *.* *2* old residue 32 adding: *379* *32* *Lys* *HD2* *H* *1.712* *.* *2* old residue 32 adding: *380* *32* *Lys* *HD3* *H* *1.712* *.* *2* old residue 32 adding: *381* *32* *Lys* *HE2* *H* *3.012* *.* *2* old residue 32 adding: *382* *32* *Lys* *HE3* *H* *3.012* *.* *2* old residue 32 adding: *383* *32* *Lys* *C* *C* *176.962* *.* *1* old residue 32 adding: *384* *32* *Lys* *CA* *C* *59.147* *.* *1* old residue 32 adding: *385* *32* *Lys* *CB* *C* *31.898* *.* *1* old residue 32 adding: *386* *32* *Lys* *CG* *C* *24.799* *.* *1* old residue 32 adding: *387* *32* *Lys* *CD* *C* *28.986* *.* *1* old residue 32 adding: *388* *32* *Lys* *CE* *C* *42.166* *.* *1* old residue 32 adding: *389* *32* *Lys* *N* *N* *122.362* *.* *1* new residue 33 adding: *390* *33* *Asp* *H* *H* *7.634* *.* *1* old residue 33 adding: *391* *33* *Asp* *HA* *H* *4.516* *.* *1* old residue 33 adding: *392* *33* *Asp* *HB2* *H* *3.129* *.* *2* old residue 33 adding: *393* *33* *Asp* *HB3* *H* *2.591* *.* *2* old residue 33 adding: *394* *33* *Asp* *C* *C* *177.093* *.* *1* old residue 33 adding: *395* *33* *Asp* *CA* *C* *53.321* *.* *1* old residue 33 adding: *396* *33* *Asp* *CB* *C* *40.064* *.* *1* old residue 33 adding: *397* *33* *Asp* *N* *N* *115.529* *.* *1* new residue 34 adding: *398* *34* *Gly* *H* *H* *8.084* *.* *1* old residue 34 adding: *399* *34* *Gly* *HA2* *H* *4.347* *.* *2* old residue 34 adding: *400* *34* *Gly* *HA3* *H* *3.723* *.* *2* old residue 34 adding: *401* *34* *Gly* *C* *C* *175.294* *.* *1* old residue 34 adding: *402* *34* *Gly* *CA* *C* *45.321* *.* *1* old residue 34 adding: *403* *34* *Gly* *N* *N* *107.892* *.* *1* new residue 35 adding: *404* *35* *Thr* *H* *H* *8.020* *.* *1* old residue 35 adding: *405* *35* *Thr* *HA* *H* *4.384* *.* *1* old residue 35 adding: *406* *35* *Thr* *HB* *H* *4.261* *.* *1* old residue 35 adding: *407* *35* *Thr* *HG2* *H* *1.178* *.* *1* old residue 35 adding: *408* *35* *Thr* *C* *C* *173.396* *.* *1* old residue 35 adding: *409* *35* *Thr* *CA* *C* *62.077* *.* *1* old residue 35 adding: *410* *35* *Thr* *CB* *C* *70.956* *.* *1* old residue 35 adding: *411* *35* *Thr* *CG2* *C* *21.744* *.* *1* old residue 35 adding: *412* *35* *Thr* *N* *N* *113.323* *.* *1* new residue 36 adding: *413* *36* *Lys* *H* *H* *8.420* *.* *1* old residue 36 adding: *414* *36* *Lys* *HA* *H* *4.888* *.* *1* old residue 36 adding: *415* *36* *Lys* *HB2* *H* *1.710* *.* *2* old residue 36 adding: *416* *36* *Lys* *HB3* *H* *1.710* *.* *2* old residue 36 adding: *417* *36* *Lys* *HG2* *H* *1.437* *.* *2* old residue 36 adding: *418* *36* *Lys* *HG3* *H* *1.350* *.* *2* old residue 36 adding: *419* *36* *Lys* *HD2* *H* *1.564* *.* *2* old residue 36 adding: *420* *36* *Lys* *HD3* *H* *1.537* *.* *2* old residue 36 adding: *421* *36* *Lys* *HE2* *H* *2.896* *.* *2* old residue 36 adding: *422* *36* *Lys* *HE3* *H* *2.896* *.* *2* old residue 36 adding: *423* *36* *Lys* *C* *C* *176.808* *.* *1* old residue 36 adding: *424* *36* *Lys* *CA* *C* *55.519* *.* *1* old residue 36 adding: *425* *36* *Lys* *CB* *C* *34.393* *.* *1* old residue 36 adding: *426* *36* *Lys* *CG* *C* *24.708* *.* *1* old residue 36 adding: *427* *36* *Lys* *CD* *C* *28.981* *.* *1* old residue 36 adding: *428* *36* *Lys* *CE* *C* *42.106* *.* *1* old residue 36 adding: *429* *36* *Lys* *N* *N* *119.442* *.* *1* new residue 37 adding: *430* *37* *Gly* *H* *H* *8.225* *.* *1* old residue 37 adding: *431* *37* *Gly* *HA2* *H* *4.424* *.* *2* old residue 37 adding: *432* *37* *Gly* *HA3* *H* *3.076* *.* *2* old residue 37 adding: *433* *37* *Gly* *C* *C* *172.281* *.* *1* old residue 37 adding: *434* *37* *Gly* *CA* *C* *43.812* *.* *1* old residue 37 adding: *435* *37* *Gly* *N* *N* *111.135* *.* *1* new residue 38 adding: *436* *38* *Gln* *H* *H* *7.997* *.* *1* old residue 38 adding: *437* *38* *Gln* *HA* *H* *5.590* *.* *1* old residue 38 adding: *438* *38* *Gln* *HB2* *H* *2.455* *.* *2* old residue 38 adding: *439* *38* *Gln* *HB3* *H* *2.222* *.* *2* old residue 38 adding: *440* *38* *Gln* *HG2* *H* *2.301* *.* *2* old residue 38 adding: *441* *38* *Gln* *HG3* *H* *1.639* *.* *2* old residue 38 adding: *442* *38* *Gln* *HE21* *H* *7.276* *.* *1* old residue 38 adding: *443* *38* *Gln* *HE22* *H* *7.017* *.* *1* old residue 38 adding: *444* *38* *Gln* *C* *C* *173.846* *.* *1* old residue 38 adding: *445* *38* *Gln* *CA* *C* *54.040* *.* *1* old residue 38 adding: *446* *38* *Gln* *CB* *C* *31.994* *.* *1* old residue 38 adding: *447* *38* *Gln* *CG* *C* *32.046* *.* *1* old residue 38 adding: *448* *38* *Gln* *CD* *C* *180.064* *.* *1* old residue 38 adding: *449* *38* *Gln* *N* *N* *113.711* *.* *1* old residue 38 adding: *450* *38* *Gln* *NE2* *N* *112.841* *.* *1* new residue 39 adding: *451* *39* *Leu* *H* *H* *9.058* *.* *1* old residue 39 adding: *452* *39* *Leu* *HA* *H* *5.239* *.* *1* old residue 39 adding: *453* *39* *Leu* *HB2* *H* *1.382* *.* *2* old residue 39 adding: *454* *39* *Leu* *HB3* *H* *0.790* *.* *2* old residue 39 adding: *455* *39* *Leu* *HG* *H* *1.413* *.* *1* old residue 39 adding: *456* *39* *Leu* *HD1* *H* *0.332* *.* *1* old residue 39 adding: *457* *39* *Leu* *HD2* *H* *0.472* *.* *1* old residue 39 adding: *458* *39* *Leu* *C* *C* *174.377* *.* *1* old residue 39 adding: *459* *39* *Leu* *CA* *C* *54.402* *.* *1* old residue 39 adding: *460* *39* *Leu* *CB* *C* *44.492* *.* *1* old residue 39 adding: *461* *39* *Leu* *CG* *C* *26.012* *.* *1* old residue 39 adding: *462* *39* *Leu* *CD1* *C* *24.649* *.* *1* old residue 39 adding: *463* *39* *Leu* *CD2* *C* *26.883* *.* *1* old residue 39 adding: *464* *39* *Leu* *N* *N* *119.380* *.* *1* new residue 40 adding: *465* *40* *Lys* *H* *H* *8.903* *.* *1* old residue 40 adding: *466* *40* *Lys* *HA* *H* *4.681* *.* *1* old residue 40 adding: *467* *40* *Lys* *HB2* *H* *1.780* *.* *2* old residue 40 adding: *468* *40* *Lys* *HB3* *H* *1.736* *.* *2* old residue 40 adding: *469* *40* *Lys* *HG2* *H* *1.846* *.* *2* old residue 40 adding: *470* *40* *Lys* *HG3* *H* *1.200* *.* *2* old residue 40 adding: *471* *40* *Lys* *HD2* *H* *1.896* *.* *2* old residue 40 adding: *472* *40* *Lys* *HD3* *H* *1.718* *.* *2* old residue 40 adding: *473* *40* *Lys* *HE2* *H* *3.154* *.* *2* old residue 40 adding: *474* *40* *Lys* *HE3* *H* *2.873* *.* *2* old residue 40 adding: *475* *40* *Lys* *C* *C* *174.338* *.* *1* old residue 40 adding: *476* *40* *Lys* *CA* *C* *56.268* *.* *1* old residue 40 adding: *477* *40* *Lys* *CB* *C* *37.139* *.* *1* old residue 40 adding: *478* *40* *Lys* *CG* *C* *24.559* *.* *1* old residue 40 adding: *479* *40* *Lys* *CD* *C* *30.617* *.* *1* old residue 40 adding: *480* *40* *Lys* *CE* *C* *42.329* *.* *1* old residue 40 adding: *481* *40* *Lys* *N* *N* *122.261* *.* *1* new residue 41 adding: *482* *41* *Ser* *H* *H* *8.988* *.* *1* old residue 41 adding: *483* *41* *Ser* *HA* *H* *5.088* *.* *1* old residue 41 adding: *484* *41* *Ser* *HB2* *H* *3.718* *.* *2* old residue 41 adding: *485* *41* *Ser* *HB3* *H* *3.586* *.* *2* old residue 41 adding: *486* *41* *Ser* *C* *C* *172.356* *.* *1* old residue 41 adding: *487* *41* *Ser* *CA* *C* *58.525* *.* *1* old residue 41 adding: *488* *41* *Ser* *CB* *C* *64.486* *.* *1* old residue 41 adding: *489* *41* *Ser* *N* *N* *123.588* *.* *1* new residue 42 adding: *490* *42* *Leu* *H* *H* *9.005* *.* *1* old residue 42 adding: *491* *42* *Leu* *HA* *H* *5.178* *.* *1* old residue 42 adding: *492* *42* *Leu* *HB2* *H* *1.560* *.* *2* old residue 42 adding: *493* *42* *Leu* *HB3* *H* *1.459* *.* *2* old residue 42 adding: *494* *42* *Leu* *HG* *H* *1.627* *.* *1* old residue 42 adding: *495* *42* *Leu* *HD1* *H* *0.751* *.* *1* old residue 42 adding: *496* *42* *Leu* *HD2* *H* *0.894* *.* *1* old residue 42 adding: *497* *42* *Leu* *C* *C* *175.920* *.* *1* old residue 42 adding: *498* *42* *Leu* *CA* *C* *52.926* *.* *1* old residue 42 adding: *499* *42* *Leu* *CB* *C* *46.681* *.* *1* old residue 42 adding: *500* *42* *Leu* *CG* *C* *27.122* *.* *1* old residue 42 adding: *501* *42* *Leu* *CD1* *C* *26.183* *.* *1* old residue 42 adding: *502* *42* *Leu* *CD2* *C* *23.840* *.* *1* old residue 42 adding: *503* *42* *Leu* *N* *N* *120.695* *.* *1* new residue 43 adding: *504* *43* *Phe* *H* *H* *9.053* *.* *1* old residue 43 adding: *505* *43* *Phe* *HA* *H* *5.253* *.* *1* old residue 43 adding: *506* *43* *Phe* *HB2* *H* *3.108* *.* *2* old residue 43 adding: *507* *43* *Phe* *HB3* *H* *3.046* *.* *2* old residue 43 adding: *508* *43* *Phe* *HD1* *H* *7.123* *.* *3* old residue 43 adding: *509* *43* *Phe* *HD2* *H* *7.123* *.* *3* old residue 43 adding: *510* *43* *Phe* *HE1* *H* *7.255* *.* *3* old residue 43 adding: *511* *43* *Phe* *HE2* *H* *7.255* *.* *3* old residue 43 adding: *512* *43* *Phe* *HZ* *H* *7.295* *.* *1* old residue 43 adding: *513* *43* *Phe* *C* *C* *174.488* *.* *1* old residue 43 adding: *514* *43* *Phe* *CA* *C* *57.407* *.* *1* old residue 43 adding: *515* *43* *Phe* *CB* *C* *41.838* *.* *1* old residue 43 adding: *516* *43* *Phe* *CD1* *C* *130.766* *.* *3* old residue 43 adding: *517* *43* *Phe* *CD2* *C* *130.766* *.* *3* old residue 43 adding: *518* *43* *Phe* *CE1* *C* *131.457* *.* *3* old residue 43 adding: *519* *43* *Phe* *CE2* *C* *131.457* *.* *3* old residue 43 adding: *520* *43* *Phe* *CZ* *C* *129.963* *.* *1* old residue 43 adding: *521* *43* *Phe* *N* *N* *123.160* *.* *1* new residue 44 adding: *522* *44* *Leu* *H* *H* *8.802* *.* *1* old residue 44 adding: *523* *44* *Leu* *HA* *H* *5.352* *.* *1* old residue 44 adding: *524* *44* *Leu* *HB2* *H* *1.762* *.* *2* old residue 44 adding: *525* *44* *Leu* *HB3* *H* *1.141* *.* *2* old residue 44 adding: *526* *44* *Leu* *HG* *H* *1.473* *.* *1* old residue 44 adding: *527* *44* *Leu* *HD1* *H* *0.639* *.* *1* old residue 44 adding: *528* *44* *Leu* *HD2* *H* *0.776* *.* *1* old residue 44 adding: *529* *44* *Leu* *C* *C* *174.881* *.* *1* old residue 44 adding: *530* *44* *Leu* *CA* *C* *53.700* *.* *1* old residue 44 adding: *531* *44* *Leu* *CB* *C* *44.689* *.* *1* old residue 44 adding: *532* *44* *Leu* *CG* *C* *27.137* *.* *1* old residue 44 adding: *533* *44* *Leu* *CD1* *C* *25.806* *.* *1* old residue 44 adding: *534* *44* *Leu* *CD2* *C* *24.938* *.* *1* old residue 44 adding: *535* *44* *Leu* *N* *N* *127.768* *.* *1* new residue 45 adding: *536* *45* *Lys* *H* *H* *9.209* *.* *1* old residue 45 adding: *537* *45* *Lys* *HA* *H* *5.247* *.* *1* old residue 45 adding: *538* *45* *Lys* *HB2* *H* *1.777* *.* *2* old residue 45 adding: *539* *45* *Lys* *HB3* *H* *1.588* *.* *2* old residue 45 adding: *540* *45* *Lys* *HG2* *H* *1.392* *.* *2* old residue 45 adding: *541* *45* *Lys* *HG3* *H* *1.358* *.* *2* old residue 45 adding: *542* *45* *Lys* *HD2* *H* *1.573* *.* *2* old residue 45 adding: *543* *45* *Lys* *HD3* *H* *1.519* *.* *2* old residue 45 adding: *544* *45* *Lys* *HE2* *H* *2.857* *.* *2* old residue 45 adding: *545* *45* *Lys* *HE3* *H* *2.857* *.* *2* old residue 45 adding: *546* *45* *Lys* *C* *C* *174.858* *.* *1* old residue 45 adding: *547* *45* *Lys* *CA* *C* *55.625* *.* *1* old residue 45 adding: *548* *45* *Lys* *CB* *C* *37.681* *.* *1* old residue 45 adding: *549* *45* *Lys* *CG* *C* *24.310* *.* *1* old residue 45 adding: *550* *45* *Lys* *CD* *C* *29.700* *.* *1* old residue 45 adding: *551* *45* *Lys* *CE* *C* *42.108* *.* *1* old residue 45 adding: *552* *45* *Lys* *N* *N* *120.149* *.* *1* new residue 46 adding: *553* *46* *Asp* *H* *H* *8.910* *.* *1* old residue 46 adding: *554* *46* *Asp* *HA* *H* *5.145* *.* *1* old residue 46 adding: *555* *46* *Asp* *HB2* *H* *3.474* *.* *2* old residue 46 adding: *556* *46* *Asp* *HB3* *H* *3.080* *.* *2* old residue 46 adding: *557* *46* *Asp* *C* *C* *175.664* *.* *1* old residue 46 adding: *558* *46* *Asp* *CA* *C* *52.599* *.* *1* old residue 46 adding: *559* *46* *Asp* *CB* *C* *41.838* *.* *1* old residue 46 adding: *560* *46* *Asp* *N* *N* *126.536* *.* *1* new residue 47 adding: *561* *47* *Asp* *H* *H* *8.995* *.* *1* old residue 47 adding: *562* *47* *Asp* *HA* *H* *4.503* *.* *1* old residue 47 adding: *563* *47* *Asp* *HB2* *H* *2.794* *.* *2* old residue 47 adding: *564* *47* *Asp* *HB3* *H* *2.794* *.* *2* old residue 47 adding: *565* *47* *Asp* *C* *C* *176.517* *.* *1* old residue 47 adding: *566* *47* *Asp* *CA* *C* *55.822* *.* *1* old residue 47 adding: *567* *47* *Asp* *CB* *C* *39.384* *.* *1* old residue 47 adding: *568* *47* *Asp* *N* *N* *114.512* *.* *1* new residue 48 adding: *569* *48* *Thr* *H* *H* *9.629* *.* *1* old residue 48 adding: *570* *48* *Thr* *HA* *H* *4.655* *.* *1* old residue 48 adding: *571* *48* *Thr* *HB* *H* *4.363* *.* *1* old residue 48 adding: *572* *48* *Thr* *HG2* *H* *1.138* *.* *1* old residue 48 adding: *573* *48* *Thr* *C* *C* *174.998* *.* *1* old residue 48 adding: *574* *48* *Thr* *CA* *C* *62.095* *.* *1* old residue 48 adding: *575* *48* *Thr* *CB* *C* *70.642* *.* *1* old residue 48 adding: *576* *48* *Thr* *CG2* *C* *22.538* *.* *1* old residue 48 adding: *577* *48* *Thr* *N* *N* *111.625* *.* *1* new residue 49 adding: *578* *49* *Gly* *H* *H* *7.672* *.* *1* old residue 49 adding: *579* *49* *Gly* *HA2* *H* *4.086* *.* *2* old residue 49 adding: *580* *49* *Gly* *HA3* *H* *4.086* *.* *2* old residue 49 adding: *581* *49* *Gly* *C* *C* *169.709* *.* *1* old residue 49 adding: *582* *49* *Gly* *CA* *C* *45.846* *.* *1* old residue 49 adding: *583* *49* *Gly* *N* *N* *110.638* *.* *1* new residue 50 adding: *584* *50* *Ser* *H* *H* *8.255* *.* *1* old residue 50 adding: *585* *50* *Ser* *HA* *H* *5.658* *.* *1* old residue 50 adding: *586* *50* *Ser* *HB2* *H* *3.679* *.* *2* old residue 50 adding: *587* *50* *Ser* *HB3* *H* *3.679* *.* *2* old residue 50 adding: *588* *50* *Ser* *C* *C* *172.854* *.* *1* old residue 50 adding: *589* *50* *Ser* *CA* *C* *56.809* *.* *1* old residue 50 adding: *590* *50* *Ser* *CB* *C* *67.002* *.* *1* old residue 50 adding: *591* *50* *Ser* *N* *N* *111.880* *.* *1* new residue 51 adding: *592* *51* *Ile* *H* *H* *9.231* *.* *1* old residue 51 adding: *593* *51* *Ile* *HA* *H* *4.556* *.* *1* old residue 51 adding: *594* *51* *Ile* *HB* *H* *1.581* *.* *1* old residue 51 adding: *595* *51* *Ile* *HG12* *H* *1.586* *.* *2* old residue 51 adding: *596* *51* *Ile* *HG13* *H* *1.476* *.* *2* old residue 51 adding: *597* *51* *Ile* *HG2* *H* *0.508* *.* *1* old residue 51 adding: *598* *51* *Ile* *HD1* *H* *0.581* *.* *1* old residue 51 adding: *599* *51* *Ile* *C* *C* *171.664* *.* *1* old residue 51 adding: *600* *51* *Ile* *CA* *C* *61.205* *.* *1* old residue 51 adding: *601* *51* *Ile* *CB* *C* *41.997* *.* *1* old residue 51 adding: *602* *51* *Ile* *CG1* *C* *29.000* *.* *1* old residue 51 adding: *603* *51* *Ile* *CG2* *C* *15.339* *.* *1* old residue 51 adding: *604* *51* *Ile* *CD1* *C* *15.949* *.* *1* old residue 51 adding: *605* *51* *Ile* *N* *N* *120.991* *.* *1* new residue 52 adding: *606* *52* *Arg* *H* *H* *7.513* *.* *1* old residue 52 adding: *607* *52* *Arg* *HA* *H* *4.923* *.* *1* old residue 52 adding: *608* *52* *Arg* *HB2* *H* *1.875* *.* *2* old residue 52 adding: *609* *52* *Arg* *HB3* *H* *1.741* *.* *2* old residue 52 adding: *610* *52* *Arg* *HG2* *H* *1.548* *.* *2* old residue 52 adding: *611* *52* *Arg* *HG3* *H* *1.466* *.* *2* old residue 52 adding: *612* *52* *Arg* *HD2* *H* *3.080* *.* *2* old residue 52 adding: *613* *52* *Arg* *HD3* *H* *3.080* *.* *2* old residue 52 adding: *614* *52* *Arg* *HE* *H* *7.118* *.* *1* old residue 52 adding: *615* *52* *Arg* *C* *C* *175.613* *.* *1* old residue 52 adding: *616* *52* *Arg* *CA* *C* *55.652* *.* *1* old residue 52 adding: *617* *52* *Arg* *CB* *C* *32.022* *.* *1* old residue 52 adding: *618* *52* *Arg* *CG* *C* *28.021* *.* *1* old residue 52 adding: *619* *52* *Arg* *CD* *C* *43.423* *.* *1* old residue 52 adding: *620* *52* *Arg* *N* *N* *125.893* *.* *1* old residue 52 adding: *621* *52* *Arg* *NE* *N* *84.268* *.* *1* new residue 53 adding: *622* *53* *Gly* *H* *H* *9.053* *.* *1* old residue 53 adding: *623* *53* *Gly* *HA2* *H* *5.493* *.* *2* old residue 53 adding: *624* *53* *Gly* *HA3* *H* *3.031* *.* *2* old residue 53 adding: *625* *53* *Gly* *C* *C* *172.146* *.* *1* old residue 53 adding: *626* *53* *Gly* *CA* *C* *44.264* *.* *1* old residue 53 adding: *627* *53* *Gly* *N* *N* *109.869* *.* *1* new residue 54 adding: *628* *54* *Thr* *H* *H* *8.516* *.* *1* old residue 54 adding: *629* *54* *Thr* *HA* *H* *4.629* *.* *1* old residue 54 adding: *630* *54* *Thr* *HB* *H* *3.673* *.* *1* old residue 54 adding: *631* *54* *Thr* *HG2* *H* *0.145* *.* *1* old residue 54 adding: *632* *54* *Thr* *C* *C* *172.139* *.* *1* old residue 54 adding: *633* *54* *Thr* *CA* *C* *62.000* *.* *1* old residue 54 adding: *634* *54* *Thr* *CB* *C* *70.681* *.* *1* old residue 54 adding: *635* *54* *Thr* *CG2* *C* *22.729* *.* *1* old residue 54 adding: *636* *54* *Thr* *N* *N* *116.809* *.* *1* new residue 55 adding: *637* *55* *Leu* *H* *H* *8.804* *.* *1* old residue 55 adding: *638* *55* *Leu* *HA* *H* *4.467* *.* *1* old residue 55 adding: *639* *55* *Leu* *HB2* *H* *1.820* *.* *2* old residue 55 adding: *640* *55* *Leu* *HB3* *H* *1.098* *.* *2* old residue 55 adding: *641* *55* *Leu* *HG* *H* *1.537* *.* *1* old residue 55 adding: *642* *55* *Leu* *HD1* *H* *0.922* *.* *1* old residue 55 adding: *643* *55* *Leu* *HD2* *H* *0.779* *.* *1* old residue 55 adding: *644* *55* *Leu* *C* *C* *175.109* *.* *1* old residue 55 adding: *645* *55* *Leu* *CA* *C* *53.468* *.* *1* old residue 55 adding: *646* *55* *Leu* *CB* *C* *42.053* *.* *1* old residue 55 adding: *647* *55* *Leu* *CG* *C* *27.133* *.* *1* old residue 55 adding: *648* *55* *Leu* *CD1* *C* *25.764* *.* *1* old residue 55 adding: *649* *55* *Leu* *CD2* *C* *24.522* *.* *1* old residue 55 adding: *650* *55* *Leu* *N* *N* *126.567* *.* *1* new residue 56 adding: *651* *56* *Trp* *H* *H* *9.440* *.* *1* old residue 56 adding: *652* *56* *Trp* *HA* *H* *5.033* *.* *1* old residue 56 adding: *653* *56* *Trp* *HB2* *H* *3.345* *.* *2* old residue 56 adding: *654* *56* *Trp* *HB3* *H* *3.224* *.* *2* old residue 56 adding: *655* *56* *Trp* *HD1* *H* *7.340* *.* *1* old residue 56 adding: *656* *56* *Trp* *HE1* *H* *9.976* *.* *1* old residue 56 adding: *657* *56* *Trp* *HE3* *H* *7.683* *.* *1* old residue 56 adding: *658* *56* *Trp* *HZ2* *H* *7.423* *.* *1* old residue 56 adding: *659* *56* *Trp* *HZ3* *H* *6.521* *.* *1* old residue 56 adding: *660* *56* *Trp* *HH2* *H* *6.939* *.* *1* old residue 56 adding: *661* *56* *Trp* *C* *C* *177.678* *.* *1* old residue 56 adding: *662* *56* *Trp* *CA* *C* *56.493* *.* *1* old residue 56 adding: *663* *56* *Trp* *CB* *C* *32.242* *.* *1* old residue 56 adding: *664* *56* *Trp* *CD1* *C* *128.102* *.* *1* old residue 56 adding: *665* *56* *Trp* *CE3* *C* *120.219* *.* *1* old residue 56 adding: *666* *56* *Trp* *CZ2* *C* *114.580* *.* *1* old residue 56 adding: *667* *56* *Trp* *CZ3* *C* *122.440* *.* *1* old residue 56 adding: *668* *56* *Trp* *CH2* *C* *124.431* *.* *1* old residue 56 adding: *669* *56* *Trp* *N* *N* *122.317* *.* *1* old residue 56 adding: *670* *56* *Trp* *NE1* *N* *129.108* *.* *1* new residue 57 adding: *671* *57* *Asn* *H* *H* *9.413* *.* *1* old residue 57 adding: *672* *57* *Asn* *HA* *H* *4.539* *.* *1* old residue 57 adding: *673* *57* *Asn* *HB2* *H* *3.318* *.* *2* old residue 57 adding: *674* *57* *Asn* *HB3* *H* *3.065* *.* *2* old residue 57 adding: *675* *57* *Asn* *HD21* *H* *8.104* *.* *1* old residue 57 adding: *676* *57* *Asn* *HD22* *H* *7.150* *.* *1* old residue 57 adding: *677* *57* *Asn* *C* *C* *177.810* *.* *1* old residue 57 adding: *678* *57* *Asn* *CA* *C* *55.159* *.* *1* old residue 57 adding: *679* *57* *Asn* *CB* *C* *36.898* *.* *1* old residue 57 adding: *680* *57* *Asn* *CG* *C* *176.924* *.* *1* old residue 57 adding: *681* *57* *Asn* *N* *N* *119.168* *.* *1* old residue 57 adding: *682* *57* *Asn* *ND2* *N* *115.283* *.* *1* new residue 58 adding: *683* *58* *Glu* *H* *H* *10.032* *.* *1* old residue 58 adding: *684* *58* *Glu* *HA* *H* *4.225* *.* *1* old residue 58 adding: *685* *58* *Glu* *HB2* *H* *2.202* *.* *2* old residue 58 adding: *686* *58* *Glu* *HB3* *H* *2.202* *.* *2* old residue 58 adding: *687* *58* *Glu* *HG2* *H* *2.510* *.* *2* old residue 58 adding: *688* *58* *Glu* *HG3* *H* *2.510* *.* *2* old residue 58 adding: *689* *58* *Glu* *C* *C* *179.208* *.* *1* old residue 58 adding: *690* *58* *Glu* *CA* *C* *60.654* *.* *1* old residue 58 adding: *691* *58* *Glu* *CB* *C* *28.259* *.* *1* old residue 58 adding: *692* *58* *Glu* *CG* *C* *36.553* *.* *1* old residue 58 adding: *693* *58* *Glu* *N* *N* *127.238* *.* *1* new residue 59 adding: *694* *59* *Leu* *H* *H* *7.931* *.* *1* old residue 59 adding: *695* *59* *Leu* *HA* *H* *4.339* *.* *1* old residue 59 adding: *696* *59* *Leu* *HB2* *H* *1.951* *.* *2* old residue 59 adding: *697* *59* *Leu* *HB3* *H* *1.647* *.* *2* old residue 59 adding: *698* *59* *Leu* *HG* *H* *1.899* *.* *1* old residue 59 adding: *699* *59* *Leu* *HD1* *H* *0.984* *.* *1* old residue 59 adding: *700* *59* *Leu* *HD2* *H* *0.895* *.* *1* old residue 59 adding: *701* *59* *Leu* *C* *C* *177.812* *.* *1* old residue 59 adding: *702* *59* *Leu* *CA* *C* *56.194* *.* *1* old residue 59 adding: *703* *59* *Leu* *CB* *C* *41.686* *.* *1* old residue 59 adding: *704* *59* *Leu* *CG* *C* *27.818* *.* *1* old residue 59 adding: *705* *59* *Leu* *CD1* *C* *24.999* *.* *1* old residue 59 adding: *706* *59* *Leu* *CD2* *C* *23.959* *.* *1* old residue 59 adding: *707* *59* *Leu* *N* *N* *118.982* *.* *1* new residue 60 adding: *708* *60* *Ala* *H* *H* *7.812* *.* *1* old residue 60 adding: *709* *60* *Ala* *HA* *H* *3.955* *.* *1* old residue 60 adding: *710* *60* *Ala* *HB* *H* *1.215* *.* *1* old residue 60 adding: *711* *60* *Ala* *C* *C* *176.441* *.* *1* old residue 60 adding: *712* *60* *Ala* *CA* *C* *53.722* *.* *1* old residue 60 adding: *713* *60* *Ala* *CB* *C* *17.436* *.* *1* old residue 60 adding: *714* *60* *Ala* *N* *N* *119.898* *.* *1* new residue 61 adding: *715* *61* *Asp* *H* *H* *6.997* *.* *1* old residue 61 adding: *716* *61* *Asp* *HA* *H* *4.796* *.* *1* old residue 61 adding: *717* *61* *Asp* *HB2* *H* *2.954* *.* *2* old residue 61 adding: *718* *61* *Asp* *HB3* *H* *2.476* *.* *2* old residue 61 adding: *719* *61* *Asp* *C* *C* *175.661* *.* *1* old residue 61 adding: *720* *61* *Asp* *CA* *C* *54.728* *.* *1* old residue 61 adding: *721* *61* *Asp* *CB* *C* *41.769* *.* *1* old residue 61 adding: *722* *61* *Asp* *N* *N* *112.739* *.* *1* new residue 62 adding: *723* *62* *Phe* *H* *H* *7.851* *.* *1* old residue 62 adding: *724* *62* *Phe* *HA* *H* *4.099* *.* *1* old residue 62 adding: *725* *62* *Phe* *HB2* *H* *3.302* *.* *2* old residue 62 adding: *726* *62* *Phe* *HB3* *H* *2.935* *.* *2* old residue 62 adding: *727* *62* *Phe* *HD1* *H* *7.024* *.* *3* old residue 62 adding: *728* *62* *Phe* *HD2* *H* *7.024* *.* *3* old residue 62 adding: *729* *62* *Phe* *HE1* *H* *7.193* *.* *3* old residue 62 adding: *730* *62* *Phe* *HE2* *H* *7.191* *.* *3* old residue 62 adding: *731* *62* *Phe* *HZ* *H* *7.264* *.* *1* old residue 62 adding: *732* *62* *Phe* *C* *C* *175.543* *.* *1* old residue 62 adding: *733* *62* *Phe* *CA* *C* *59.847* *.* *1* old residue 62 adding: *734* *62* *Phe* *CB* *C* *40.472* *.* *1* old residue 62 adding: *735* *62* *Phe* *CD1* *C* *131.881* *.* *3* old residue 62 adding: *736* *62* *Phe* *CD2* *C* *131.881* *.* *3* old residue 62 adding: *737* *62* *Phe* *CE1* *C* *131.469* *.* *3* old residue 62 adding: *738* *62* *Phe* *CE2* *C* *131.469* *.* *3* old residue 62 adding: *739* *62* *Phe* *CZ* *C* *129.751* *.* *1* old residue 62 adding: *740* *62* *Phe* *N* *N* *124.447* *.* *1* new residue 63 adding: *741* *63* *Glu* *H* *H* *7.929* *.* *1* old residue 63 adding: *742* *63* *Glu* *HA* *H* *4.166* *.* *1* old residue 63 adding: *743* *63* *Glu* *HB2* *H* *1.745* *.* *2* old residue 63 adding: *744* *63* *Glu* *HB3* *H* *1.680* *.* *2* old residue 63 adding: *745* *63* *Glu* *HG2* *H* *2.080* *.* *2* old residue 63 adding: *746* *63* *Glu* *HG3* *H* *2.056* *.* *2* old residue 63 adding: *747* *63* *Glu* *C* *C* *173.517* *.* *1* old residue 63 adding: *748* *63* *Glu* *CA* *C* *56.734* *.* *1* old residue 63 adding: *749* *63* *Glu* *CB* *C* *28.718* *.* *1* old residue 63 adding: *750* *63* *Glu* *CG* *C* *35.928* *.* *1* old residue 63 adding: *751* *63* *Glu* *N* *N* *129.551* *.* *1* new residue 64 adding: *752* *64* *Val* *H* *H* *7.492* *.* *1* old residue 64 adding: *753* *64* *Val* *HA* *H* *4.550* *.* *1* old residue 64 adding: *754* *64* *Val* *HB* *H* *2.176* *.* *1* old residue 64 adding: *755* *64* *Val* *HG1* *H* *0.954* *.* *1* old residue 64 adding: *756* *64* *Val* *HG2* *H* *1.071* *.* *1* old residue 64 adding: *757* *64* *Val* *C* *C* *171.874* *.* *1* old residue 64 adding: *758* *64* *Val* *CA* *C* *59.449* *.* *1* old residue 64 adding: *759* *64* *Val* *CB* *C* *33.838* *.* *1* old residue 64 adding: *760* *64* *Val* *CG1* *C* *19.873* *.* *1* old residue 64 adding: *761* *64* *Val* *CG2* *C* *22.813* *.* *1* old residue 64 adding: *762* *64* *Val* *N* *N* *124.341* *.* *1* new residue 65 adding: *763* *65* *Lys* *H* *H* *9.121* *.* *1* old residue 65 adding: *764* *65* *Lys* *HA* *H* *4.612* *.* *1* old residue 65 adding: *765* *65* *Lys* *HB2* *H* *1.764* *.* *2* old residue 65 adding: *766* *65* *Lys* *HB3* *H* *1.711* *.* *2* old residue 65 adding: *767* *65* *Lys* *HG2* *H* *1.418* *.* *2* old residue 65 adding: *768* *65* *Lys* *HG3* *H* *1.182* *.* *2* old residue 65 adding: *769* *65* *Lys* *HD2* *H* *1.583* *.* *2* old residue 65 adding: *770* *65* *Lys* *HD3* *H* *1.583* *.* *2* old residue 65 adding: *771* *65* *Lys* *HE2* *H* *2.953* *.* *2* old residue 65 adding: *772* *65* *Lys* *HE3* *H* *2.953* *.* *2* old residue 65 adding: *773* *65* *Lys* *C* *C* *174.785* *.* *1* old residue 65 adding: *774* *65* *Lys* *CA* *C* *53.915* *.* *1* old residue 65 adding: *775* *65* *Lys* *CB* *C* *36.222* *.* *1* old residue 65 adding: *776* *65* *Lys* *CG* *C* *23.530* *.* *1* old residue 65 adding: *777* *65* *Lys* *CD* *C* *29.049* *.* *1* old residue 65 adding: *778* *65* *Lys* *CE* *C* *42.320* *.* *1* old residue 65 adding: *779* *65* *Lys* *N* *N* *126.710* *.* *1* new residue 66 adding: *780* *66* *Lys* *H* *H* *8.380* *.* *1* old residue 66 adding: *781* *66* *Lys* *HA* *H* *3.751* *.* *1* old residue 66 adding: *782* *66* *Lys* *HB2* *H* *1.716* *.* *2* old residue 66 adding: *783* *66* *Lys* *HB3* *H* *1.655* *.* *2* old residue 66 adding: *784* *66* *Lys* *HG2* *H* *1.442* *.* *2* old residue 66 adding: *785* *66* *Lys* *HG3* *H* *1.263* *.* *2* old residue 66 adding: *786* *66* *Lys* *HD2* *H* *1.758* *.* *2* old residue 66 adding: *787* *66* *Lys* *HD3* *H* *1.672* *.* *2* old residue 66 adding: *788* *66* *Lys* *HE2* *H* *3.064* *.* *2* old residue 66 adding: *789* *66* *Lys* *HE3* *H* *3.064* *.* *2* old residue 66 adding: *790* *66* *Lys* *C* *C* *177.105* *.* *1* old residue 66 adding: *791* *66* *Lys* *CA* *C* *58.171* *.* *1* old residue 66 adding: *792* *66* *Lys* *CB* *C* *32.373* *.* *1* old residue 66 adding: *793* *66* *Lys* *CG* *C* *24.590* *.* *1* old residue 66 adding: *794* *66* *Lys* *CD* *C* *29.645* *.* *1* old residue 66 adding: *795* *66* *Lys* *CE* *C* *42.108* *.* *1* old residue 66 adding: *796* *66* *Lys* *N* *N* *119.894* *.* *1* new residue 67 adding: *797* *67* *Gly* *H* *H* *9.371* *.* *1* old residue 67 adding: *798* *67* *Gly* *HA2* *H* *4.482* *.* *2* old residue 67 adding: *799* *67* *Gly* *HA3* *H* *3.710* *.* *2* old residue 67 adding: *800* *67* *Gly* *C* *C* *174.736* *.* *1* old residue 67 adding: *801* *67* *Gly* *CA* *C* *44.756* *.* *1* old residue 67 adding: *802* *67* *Gly* *N* *N* *116.379* *.* *1* new residue 68 adding: *803* *68* *Asp* *H* *H* *8.119* *.* *1* old residue 68 adding: *804* *68* *Asp* *HA* *H* *4.625* *.* *1* old residue 68 adding: *805* *68* *Asp* *HB2* *H* *2.859* *.* *2* old residue 68 adding: *806* *68* *Asp* *HB3* *H* *2.535* *.* *2* old residue 68 adding: *807* *68* *Asp* *C* *C* *174.625* *.* *1* old residue 68 adding: *808* *68* *Asp* *CA* *C* *55.655* *.* *1* old residue 68 adding: *809* *68* *Asp* *CB* *C* *41.495* *.* *1* old residue 68 adding: *810* *68* *Asp* *N* *N* *121.994* *.* *1* new residue 69 adding: *811* *69* *Ile* *H* *H* *8.835* *.* *1* old residue 69 adding: *812* *69* *Ile* *HA* *H* *4.687* *.* *1* old residue 69 adding: *813* *69* *Ile* *HB* *H* *1.962* *.* *1* old residue 69 adding: *814* *69* *Ile* *HG12* *H* *1.476* *.* *2* old residue 69 adding: *815* *69* *Ile* *HG13* *H* *1.375* *.* *2* old residue 69 adding: *816* *69* *Ile* *HG2* *H* *0.771* *.* *1* old residue 69 adding: *817* *69* *Ile* *HD1* *H* *0.746* *.* *1* old residue 69 adding: *818* *69* *Ile* *C* *C* *175.067* *.* *1* old residue 69 adding: *819* *69* *Ile* *CA* *C* *59.650* *.* *1* old residue 69 adding: *820* *69* *Ile* *CB* *C* *36.810* *.* *1* old residue 69 adding: *821* *69* *Ile* *CG1* *C* *27.030* *.* *1* old residue 69 adding: *822* *69* *Ile* *CG2* *C* *17.237* *.* *1* old residue 69 adding: *823* *69* *Ile* *CD1* *C* *10.646* *.* *1* old residue 69 adding: *824* *69* *Ile* *N* *N* *120.662* *.* *1* new residue 70 adding: *825* *70* *Ala* *H* *H* *9.433* *.* *1* old residue 70 adding: *826* *70* *Ala* *HA* *H* *5.368* *.* *1* old residue 70 adding: *827* *70* *Ala* *HB* *H* *1.076* *.* *1* old residue 70 adding: *828* *70* *Ala* *C* *C* *174.999* *.* *1* old residue 70 adding: *829* *70* *Ala* *CA* *C* *50.109* *.* *1* old residue 70 adding: *830* *70* *Ala* *CB* *C* *22.381* *.* *1* old residue 70 adding: *831* *70* *Ala* *N* *N* *129.320* *.* *1* new residue 71 adding: *832* *71* *Glu* *H* *H* *8.997* *.* *1* old residue 71 adding: *833* *71* *Glu* *HA* *H* *5.076* *.* *1* old residue 71 adding: *834* *71* *Glu* *HB2* *H* *1.935* *.* *2* old residue 71 adding: *835* *71* *Glu* *HB3* *H* *1.806* *.* *2* old residue 71 adding: *836* *71* *Glu* *HG2* *H* *2.043* *.* *2* old residue 71 adding: *837* *71* *Glu* *HG3* *H* *1.902* *.* *2* old residue 71 adding: *838* *71* *Glu* *C* *C* *176.067* *.* *1* old residue 71 adding: *839* *71* *Glu* *CA* *C* *55.278* *.* *1* old residue 71 adding: *840* *71* *Glu* *CB* *C* *31.130* *.* *1* old residue 71 adding: *841* *71* *Glu* *CG* *C* *37.021* *.* *1* old residue 71 adding: *842* *71* *Glu* *N* *N* *122.821* *.* *1* new residue 72 adding: *843* *72* *Val* *H* *H* *9.012* *.* *1* old residue 72 adding: *844* *72* *Val* *HA* *H* *4.681* *.* *1* old residue 72 adding: *845* *72* *Val* *HB* *H* *1.910* *.* *1* old residue 72 adding: *846* *72* *Val* *HG1* *H* *0.789* *.* *1* old residue 72 adding: *847* *72* *Val* *HG2* *H* *0.773* *.* *1* old residue 72 adding: *848* *72* *Val* *C* *C* *173.882* *.* *1* old residue 72 adding: *849* *72* *Val* *CA* *C* *61.146* *.* *1* old residue 72 adding: *850* *72* *Val* *CB* *C* *34.700* *.* *1* old residue 72 adding: *851* *72* *Val* *CG1* *C* *23.099* *.* *1* old residue 72 adding: *852* *72* *Val* *CG2* *C* *20.897* *.* *1* old residue 72 adding: *853* *72* *Val* *N* *N* *127.424* *.* *1* new residue 73 adding: *854* *73* *Ser* *H* *H* *8.887* *.* *1* old residue 73 adding: *855* *73* *Ser* *HA* *H* *5.937* *.* *1* old residue 73 adding: *856* *73* *Ser* *HB2* *H* *3.891* *.* *2* old residue 73 adding: *857* *73* *Ser* *HB3* *H* *3.692* *.* *2* old residue 73 adding: *858* *73* *Ser* *C* *C* *174.400* *.* *1* old residue 73 adding: *859* *73* *Ser* *CA* *C* *55.945* *.* *1* old residue 73 adding: *860* *73* *Ser* *CB* *C* *65.366* *.* *1* old residue 73 adding: *861* *73* *Ser* *N* *N* *120.976* *.* *1* new residue 74 adding: *862* *74* *Gly* *H* *H* *8.809* *.* *1* old residue 74 adding: *863* *74* *Gly* *HA2* *H* *4.609* *.* *2* old residue 74 adding: *864* *74* *Gly* *HA3* *H* *4.337* *.* *2* old residue 74 adding: *865* *74* *Gly* *C* *C* *169.953* *.* *1* old residue 74 adding: *866* *74* *Gly* *CA* *C* *46.653* *.* *1* old residue 74 adding: *867* *74* *Gly* *N* *N* *112.020* *.* *1* new residue 75 adding: *868* *75* *Tyr* *H* *H* *8.069* *.* *1* old residue 75 adding: *869* *75* *Tyr* *HA* *H* *5.088* *.* *1* old residue 75 adding: *870* *75* *Tyr* *HB2* *H* *3.062* *.* *2* old residue 75 adding: *871* *75* *Tyr* *HB3* *H* *2.931* *.* *2* old residue 75 adding: *872* *75* *Tyr* *HD1* *H* *7.009* *.* *3* old residue 75 adding: *873* *75* *Tyr* *HD2* *H* *7.009* *.* *3* old residue 75 adding: *874* *75* *Tyr* *HE1* *H* *6.762* *.* *3* old residue 75 adding: *875* *75* *Tyr* *HE2* *H* *6.762* *.* *3* old residue 75 adding: *876* *75* *Tyr* *C* *C* *174.928* *.* *1* old residue 75 adding: *877* *75* *Tyr* *CA* *C* *56.788* *.* *1* old residue 75 adding: *878* *75* *Tyr* *CB* *C* *41.534* *.* *1* old residue 75 adding: *879* *75* *Tyr* *CD1* *C* *133.337* *.* *3* old residue 75 adding: *880* *75* *Tyr* *CD2* *C* *133.337* *.* *3* old residue 75 adding: *881* *75* *Tyr* *CE1* *C* *118.018* *.* *3* old residue 75 adding: *882* *75* *Tyr* *CE2* *C* *118.018* *.* *3* old residue 75 adding: *883* *75* *Tyr* *N* *N* *119.656* *.* *1* new residue 76 adding: *884* *76* *Val* *H* *H* *8.558* *.* *1* old residue 76 adding: *885* *76* *Val* *HA* *H* *4.535* *.* *1* old residue 76 adding: *886* *76* *Val* *HB* *H* *2.185* *.* *1* old residue 76 adding: *887* *76* *Val* *HG1* *H* *0.580* *.* *1* old residue 76 adding: *888* *76* *Val* *HG2* *H* *0.759* *.* *1* old residue 76 adding: *889* *76* *Val* *C* *C* *174.788* *.* *1* old residue 76 adding: *890* *76* *Val* *CA* *C* *62.060* *.* *1* old residue 76 adding: *891* *76* *Val* *CB* *C* *31.587* *.* *1* old residue 76 adding: *892* *76* *Val* *CG1* *C* *23.686* *.* *1* old residue 76 adding: *893* *76* *Val* *CG2* *C* *22.959* *.* *1* old residue 76 adding: *894* *76* *Val* *N* *N* *128.209* *.* *1* new residue 77 adding: *895* *77* *Lys* *H* *H* *9.098* *.* *1* old residue 77 adding: *896* *77* *Lys* *HA* *H* *4.732* *.* *1* old residue 77 adding: *897* *77* *Lys* *HB2* *H* *1.851* *.* *2* old residue 77 adding: *898* *77* *Lys* *HB3* *H* *1.777* *.* *2* old residue 77 adding: *899* *77* *Lys* *HG2* *H* *1.511* *.* *2* old residue 77 adding: *900* *77* *Lys* *HG3* *H* *1.342* *.* *2* old residue 77 adding: *901* *77* *Lys* *HD2* *H* *1.742* *.* *2* old residue 77 adding: *902* *77* *Lys* *HD3* *H* *1.742* *.* *2* old residue 77 adding: *903* *77* *Lys* *HE2* *H* *2.975* *.* *2* old residue 77 adding: *904* *77* *Lys* *HE3* *H* *2.975* *.* *2* old residue 77 adding: *905* *77* *Lys* *C* *C* *174.668* *.* *1* old residue 77 adding: *906* *77* *Lys* *CA* *C* *53.979* *.* *1* old residue 77 adding: *907* *77* *Lys* *CB* *C* *36.130* *.* *1* old residue 77 adding: *908* *77* *Lys* *CG* *C* *24.243* *.* *1* old residue 77 adding: *909* *77* *Lys* *CD* *C* *29.269* *.* *1* old residue 77 adding: *910* *77* *Lys* *CE* *C* *42.172* *.* *1* old residue 77 adding: *911* *77* *Lys* *N* *N* *125.377* *.* *1* new residue 78 adding: *912* *78* *Gln* *H* *H* *8.833* *.* *1* old residue 78 adding: *913* *78* *Gln* *HA* *H* *4.307* *.* *1* old residue 78 adding: *914* *78* *Gln* *HB2* *H* *2.074* *.* *2* old residue 78 adding: *915* *78* *Gln* *HB3* *H* *1.854* *.* *2* old residue 78 adding: *916* *78* *Gln* *HG2* *H* *2.335* *.* *2* old residue 78 adding: *917* *78* *Gln* *HG3* *H* *2.240* *.* *2* old residue 78 adding: *918* *78* *Gln* *HE21* *H* *7.559* *.* *1* old residue 78 adding: *919* *78* *Gln* *HE22* *H* *6.799* *.* *1* old residue 78 adding: *920* *78* *Gln* *C* *C* *175.747* *.* *1* old residue 78 adding: *921* *78* *Gln* *CA* *C* *56.109* *.* *1* old residue 78 adding: *922* *78* *Gln* *CB* *C* *29.190* *.* *1* old residue 78 adding: *923* *78* *Gln* *CG* *C* *33.511* *.* *1* old residue 78 adding: *924* *78* *Gln* *CD* *C* *179.673* *.* *1* old residue 78 adding: *925* *78* *Gln* *N* *N* *120.665* *.* *1* old residue 78 adding: *926* *78* *Gln* *NE2* *N* *111.825* *.* *1* new residue 79 adding: *927* *79* *Gly* *H* *H* *8.136* *.* *1* old residue 79 adding: *928* *79* *Gly* *HA2* *H* *4.526* *.* *2* old residue 79 adding: *929* *79* *Gly* *HA3* *H* *3.862* *.* *2* old residue 79 adding: *930* *79* *Gly* *C* *C* *174.500* *.* *1* old residue 79 adding: *931* *79* *Gly* *CA* *C* *44.045* *.* *1* old residue 79 adding: *932* *79* *Gly* *N* *N* *116.268* *.* *1* new residue 80 adding: *933* *80* *Tyr* *H* *H* *8.725* *.* *1* old residue 80 adding: *934* *80* *Tyr* *HA* *H* *4.310* *.* *1* old residue 80 adding: *935* *80* *Tyr* *HB2* *H* *3.071* *.* *2* old residue 80 adding: *936* *80* *Tyr* *HB3* *H* *3.035* *.* *2* old residue 80 adding: *937* *80* *Tyr* *HD1* *H* *7.164* *.* *3* old residue 80 adding: *938* *80* *Tyr* *HD2* *H* *7.164* *.* *3* old residue 80 adding: *939* *80* *Tyr* *HE1* *H* *6.834* *.* *3* old residue 80 adding: *940* *80* *Tyr* *HE2* *H* *6.834* *.* *3* old residue 80 adding: *941* *80* *Tyr* *C* *C* *177.335* *.* *1* old residue 80 adding: *942* *80* *Tyr* *CA* *C* *60.703* *.* *1* old residue 80 adding: *943* *80* *Tyr* *CB* *C* *38.140* *.* *1* old residue 80 adding: *944* *80* *Tyr* *CD1* *C* *133.142* *.* *3* old residue 80 adding: *945* *80* *Tyr* *CD2* *C* *133.142* *.* *3* old residue 80 adding: *946* *80* *Tyr* *CE1* *C* *118.288* *.* *3* old residue 80 adding: *947* *80* *Tyr* *CE2* *C* *118.288* *.* *3* old residue 80 adding: *948* *80* *Tyr* *N* *N* *120.862* *.* *1* new residue 81 adding: *949* *81* *Ser* *H* *H* *8.488* *.* *1* old residue 81 adding: *950* *81* *Ser* *HA* *H* *4.550* *.* *1* old residue 81 adding: *951* *81* *Ser* *HB2* *H* *3.771* *.* *2* old residue 81 adding: *952* *81* *Ser* *HB3* *H* *3.771* *.* *2* old residue 81 adding: *953* *81* *Ser* *C* *C* *173.695* *.* *1* old residue 81 adding: *954* *81* *Ser* *CA* *C* *57.288* *.* *1* old residue 81 adding: *955* *81* *Ser* *CB* *C* *63.680* *.* *1* old residue 81 adding: *956* *81* *Ser* *N* *N* *112.931* *.* *1* new residue 82 adding: *957* *82* *Gly* *H* *H* *7.466* *.* *1* old residue 82 adding: *958* *82* *Gly* *HA2* *H* *4.416* *.* *2* old residue 82 adding: *959* *82* *Gly* *HA3* *H* *3.843* *.* *2* old residue 82 adding: *960* *82* *Gly* *C* *C* *173.660* *.* *1* old residue 82 adding: *961* *82* *Gly* *CA* *C* *44.078* *.* *1* old residue 82 adding: *962* *82* *Gly* *N* *N* *109.262* *.* *1* new residue 83 adding: *963* *83* *Leu* *H* *H* *8.687* *.* *1* old residue 83 adding: *964* *83* *Leu* *HA* *H* *4.641* *.* *1* old residue 83 adding: *965* *83* *Leu* *HB2* *H* *1.752* *.* *2* old residue 83 adding: *966* *83* *Leu* *HB3* *H* *1.146* *.* *2* old residue 83 adding: *967* *83* *Leu* *HG* *H* *1.688* *.* *1* old residue 83 adding: *968* *83* *Leu* *HD1* *H* *0.652* *.* *1* old residue 83 adding: *969* *83* *Leu* *HD2* *H* *0.611* *.* *1* old residue 83 adding: *970* *83* *Leu* *C* *C* *176.476* *.* *1* old residue 83 adding: *971* *83* *Leu* *CA* *C* *55.344* *.* *1* old residue 83 adding: *972* *83* *Leu* *CB* *C* *42.773* *.* *1* old residue 83 adding: *973* *83* *Leu* *CG* *C* *26.613* *.* *1* old residue 83 adding: *974* *83* *Leu* *CD1* *C* *25.333* *.* *1* old residue 83 adding: *975* *83* *Leu* *CD2* *C* *22.938* *.* *1* old residue 83 adding: *976* *83* *Leu* *N* *N* *121.184* *.* *1* new residue 84 adding: *977* *84* *Glu* *H* *H* *8.803* *.* *1* old residue 84 adding: *978* *84* *Glu* *HA* *H* *5.086* *.* *1* old residue 84 adding: *979* *84* *Glu* *HB2* *H* *1.903* *.* *2* old residue 84 adding: *980* *84* *Glu* *HB3* *H* *1.741* *.* *2* old residue 84 adding: *981* *84* *Glu* *HG2* *H* *2.041* *.* *2* old residue 84 adding: *982* *84* *Glu* *HG3* *H* *1.983* *.* *2* old residue 84 adding: *983* *84* *Glu* *C* *C* *174.397* *.* *1* old residue 84 adding: *984* *84* *Glu* *CA* *C* *54.322* *.* *1* old residue 84 adding: *985* *84* *Glu* *CB* *C* *33.894* *.* *1* old residue 84 adding: *986* *84* *Glu* *CG* *C* *36.038* *.* *1* old residue 84 adding: *987* *84* *Glu* *N* *N* *118.732* *.* *1* new residue 85 adding: *988* *85* *Ile* *H* *H* *9.042* *.* *1* old residue 85 adding: *989* *85* *Ile* *HA* *H* *4.921* *.* *1* old residue 85 adding: *990* *85* *Ile* *HB* *H* *1.396* *.* *1* old residue 85 adding: *991* *85* *Ile* *HG12* *H* *1.368* *.* *2* old residue 85 adding: *992* *85* *Ile* *HG13* *H* *0.567* *.* *2* old residue 85 adding: *993* *85* *Ile* *HG2* *H* *0.723* *.* *1* old residue 85 adding: *994* *85* *Ile* *HD1* *H* *0.563* *.* *1* old residue 85 adding: *995* *85* *Ile* *C* *C* *174.364* *.* *1* old residue 85 adding: *996* *85* *Ile* *CA* *C* *59.082* *.* *1* old residue 85 adding: *997* *85* *Ile* *CB* *C* *41.988* *.* *1* old residue 85 adding: *998* *85* *Ile* *CG1* *C* *28.708* *.* *1* old residue 85 adding: *999* *85* *Ile* *CG2* *C* *15.639* *.* *1* old residue 85 adding: *1000* *85* *Ile* *CD1* *C* *13.482* *.* *1* old residue 85 adding: *1001* *85* *Ile* *N* *N* *120.723* *.* *1* new residue 86 adding: *1002* *86* *Ser* *H* *H* *9.290* *.* *1* old residue 86 adding: *1003* *86* *Ser* *HA* *H* *4.872* *.* *1* old residue 86 adding: *1004* *86* *Ser* *HB2* *H* *4.172* *.* *2* old residue 86 adding: *1005* *86* *Ser* *HB3* *H* *3.913* *.* *2* old residue 86 adding: *1006* *86* *Ser* *C* *C* *175.147* *.* *1* old residue 86 adding: *1007* *86* *Ser* *CA* *C* *57.421* *.* *1* old residue 86 adding: *1008* *86* *Ser* *CB* *C* *62.971* *.* *1* old residue 86 adding: *1009* *86* *Ser* *N* *N* *126.066* *.* *1* new residue 87 adding: *1010* *87* *Val* *H* *H* *8.553* *.* *1* old residue 87 adding: *1011* *87* *Val* *HA* *H* *3.786* *.* *1* old residue 87 adding: *1012* *87* *Val* *HB* *H* *2.157* *.* *1* old residue 87 adding: *1013* *87* *Val* *HG1* *H* *0.841* *.* *1* old residue 87 adding: *1014* *87* *Val* *HG2* *H* *0.721* *.* *1* old residue 87 adding: *1015* *87* *Val* *C* *C* *175.294* *.* *1* old residue 87 adding: *1016* *87* *Val* *CA* *C* *65.296* *.* *1* old residue 87 adding: *1017* *87* *Val* *CB* *C* *32.493* *.* *1* old residue 87 adding: *1018* *87* *Val* *CG1* *C* *22.632* *.* *1* old residue 87 adding: *1019* *87* *Val* *CG2* *C* *22.299* *.* *1* old residue 87 adding: *1020* *87* *Val* *N* *N* *129.298* *.* *1* new residue 88 adding: *1021* *88* *Asp* *H* *H* *9.780* *.* *1* old residue 88 adding: *1022* *88* *Asp* *HA* *H* *4.950* *.* *1* old residue 88 adding: *1023* *88* *Asp* *HB2* *H* *2.656* *.* *2* old residue 88 adding: *1024* *88* *Asp* *HB3* *H* *2.656* *.* *2* old residue 88 adding: *1025* *88* *Asp* *C* *C* *175.959* *.* *1* old residue 88 adding: *1026* *88* *Asp* *CA* *C* *55.067* *.* *1* old residue 88 adding: *1027* *88* *Asp* *CB* *C* *43.020* *.* *1* old residue 88 adding: *1028* *88* *Asp* *N* *N* *127.212* *.* *1* new residue 89 adding: *1029* *89* *Asn* *H* *H* *7.860* *.* *1* old residue 89 adding: *1030* *89* *Asn* *HA* *H* *4.770* *.* *1* old residue 89 adding: *1031* *89* *Asn* *HB2* *H* *2.647* *.* *2* old residue 89 adding: *1032* *89* *Asn* *HB3* *H* *2.595* *.* *2* old residue 89 adding: *1033* *89* *Asn* *HD21* *H* *7.634* *.* *1* old residue 89 adding: *1034* *89* *Asn* *HD22* *H* *6.844* *.* *1* old residue 89 adding: *1035* *89* *Asn* *C* *C* *171.529* *.* *1* old residue 89 adding: *1036* *89* *Asn* *CA* *C* *53.480* *.* *1* old residue 89 adding: *1037* *89* *Asn* *CB* *C* *42.212* *.* *1* old residue 89 adding: *1038* *89* *Asn* *CG* *C* *176.738* *.* *1* old residue 89 adding: *1039* *89* *Asn* *N* *N* *116.698* *.* *1* old residue 89 adding: *1040* *89* *Asn* *ND2* *N* *113.449* *.* *1* new residue 90 adding: *1041* *90* *Ile* *H* *H* *8.127* *.* *1* old residue 90 adding: *1042* *90* *Ile* *HA* *H* *5.236* *.* *1* old residue 90 adding: *1043* *90* *Ile* *HB* *H* *1.397* *.* *1* old residue 90 adding: *1044* *90* *Ile* *HG12* *H* *1.446* *.* *2* old residue 90 adding: *1045* *90* *Ile* *HG13* *H* *0.569* *.* *2* old residue 90 adding: *1046* *90* *Ile* *HG2* *H* *-0.097* *.* *1* old residue 90 adding: *1047* *90* *Ile* *HD1* *H* *0.565* *.* *1* old residue 90 adding: *1048* *90* *Ile* *C* *C* *171.546* *.* *1* old residue 90 adding: *1049* *90* *Ile* *CA* *C* *58.599* *.* *1* old residue 90 adding: *1050* *90* *Ile* *CB* *C* *41.019* *.* *1* old residue 90 adding: *1051* *90* *Ile* *CG1* *C* *28.550* *.* *1* old residue 90 adding: *1052* *90* *Ile* *CG2* *C* *12.581* *.* *1* old residue 90 adding: *1053* *90* *Ile* *CD1* *C* *14.375* *.* *1* old residue 90 adding: *1054* *90* *Ile* *N* *N* *121.454* *.* *1* new residue 91 adding: *1055* *91* *Gly* *H* *H* *8.357* *.* *1* old residue 91 adding: *1056* *91* *Gly* *HA2* *H* *4.518* *.* *2* old residue 91 adding: *1057* *91* *Gly* *HA3* *H* *3.805* *.* *2* old residue 91 adding: *1058* *91* *Gly* *C* *C* *171.989* *.* *1* old residue 91 adding: *1059* *91* *Gly* *CA* *C* *44.328* *.* *1* old residue 91 adding: *1060* *91* *Gly* *N* *N* *112.280* *.* *1* new residue 92 adding: *1061* *92* *Ile* *H* *H* *9.023* *.* *1* old residue 92 adding: *1062* *92* *Ile* *HA* *H* *4.595* *.* *1* old residue 92 adding: *1063* *92* *Ile* *HB* *H* *2.076* *.* *1* old residue 92 adding: *1064* *92* *Ile* *HG12* *H* *1.695* *.* *2* old residue 92 adding: *1065* *92* *Ile* *HG13* *H* *1.652* *.* *2* old residue 92 adding: *1066* *92* *Ile* *HG2* *H* *0.916* *.* *1* old residue 92 adding: *1067* *92* *Ile* *HD1* *H* *0.957* *.* *1* old residue 92 adding: *1068* *92* *Ile* *C* *C* *176.634* *.* *1* old residue 92 adding: *1069* *92* *Ile* *CA* *C* *59.505* *.* *1* old residue 92 adding: *1070* *92* *Ile* *CB* *C* *36.938* *.* *1* old residue 92 adding: *1071* *92* *Ile* *CG1* *C* *27.365* *.* *1* old residue 92 adding: *1072* *92* *Ile* *CG2* *C* *17.806* *.* *1* old residue 92 adding: *1073* *92* *Ile* *CD1* *C* *10.753* *.* *1* old residue 92 adding: *1074* *92* *Ile* *N* *N* *122.874* *.* *1* new residue 93 adding: *1075* *93* *Ile* *H* *H* *9.047* *.* *1* old residue 93 adding: *1076* *93* *Ile* *HA* *H* *4.181* *.* *1* old residue 93 adding: *1077* *93* *Ile* *HB* *H* *1.690* *.* *1* old residue 93 adding: *1078* *93* *Ile* *HG12* *H* *1.394* *.* *2* old residue 93 adding: *1079* *93* *Ile* *HG13* *H* *1.095* *.* *2* old residue 93 adding: *1080* *93* *Ile* *HG2* *H* *0.869* *.* *1* old residue 93 adding: *1081* *93* *Ile* *HD1* *H* *0.730* *.* *1* old residue 93 adding: *1082* *93* *Ile* *C* *C* *175.930* *.* *1* old residue 93 adding: *1083* *93* *Ile* *CA* *C* *61.196* *.* *1* old residue 93 adding: *1084* *93* *Ile* *CB* *C* *38.474* *.* *1* old residue 93 adding: *1085* *93* *Ile* *CG1* *C* *27.237* *.* *1* old residue 93 adding: *1086* *93* *Ile* *CG2* *C* *17.384* *.* *1* old residue 93 adding: *1087* *93* *Ile* *CD1* *C* *12.223* *.* *1* old residue 93 adding: *1088* *93* *Ile* *N* *N* *129.183* *.* *1* new residue 94 adding: *1089* *94* *Glu* *H* *H* *8.137* *.* *1* old residue 94 adding: *1090* *94* *Glu* *HA* *H* *4.422* *.* *1* old residue 94 adding: *1091* *94* *Glu* *HB2* *H* *1.988* *.* *2* old residue 94 adding: *1092* *94* *Glu* *HB3* *H* *1.911* *.* *2* old residue 94 adding: *1093* *94* *Glu* *HG2* *H* *2.234* *.* *2* old residue 94 adding: *1094* *94* *Glu* *HG3* *H* *2.237* *.* *2* old residue 94 adding: *1095* *94* *Glu* *C* *C* *175.557* *.* *1* old residue 94 adding: *1096* *94* *Glu* *CA* *C* *56.065* *.* *1* old residue 94 adding: *1097* *94* *Glu* *CB* *C* *31.725* *.* *1* old residue 94 adding: *1098* *94* *Glu* *CG* *C* *36.222* *.* *1* old residue 94 adding: *1099* *94* *Glu* *N* *N* *122.628* *.* *1* new residue 95 adding: *1100* *95* *Lys* *H* *H* *8.632* *.* *1* old residue 95 adding: *1101* *95* *Lys* *HA* *H* *4.344* *.* *1* old residue 95 adding: *1102* *95* *Lys* *HB2* *H* *1.818* *.* *2* old residue 95 adding: *1103* *95* *Lys* *HB3* *H* *1.706* *.* *2* old residue 95 adding: *1104* *95* *Lys* *HG2* *H* *1.461* *.* *2* old residue 95 adding: *1105* *95* *Lys* *HG3* *H* *1.370* *.* *2* old residue 95 adding: *1106* *95* *Lys* *HD2* *H* *1.656* *.* *2* old residue 95 adding: *1107* *95* *Lys* *HD3* *H* *1.656* *.* *2* old residue 95 adding: *1108* *95* *Lys* *HE2* *H* *2.974* *.* *2* old residue 95 adding: *1109* *95* *Lys* *HE3* *H* *2.975* *.* *2* old residue 95 adding: *1110* *95* *Lys* *C* *C* *176.990* *.* *1* old residue 95 adding: *1111* *95* *Lys* *CA* *C* *56.276* *.* *1* old residue 95 adding: *1112* *95* *Lys* *CB* *C* *33.345* *.* *1* old residue 95 adding: *1113* *95* *Lys* *CG* *C* *25.061* *.* *1* old residue 95 adding: *1114* *95* *Lys* *CD* *C* *29.199* *.* *1* old residue 95 adding: *1115* *95* *Lys* *CE* *C* *42.046* *.* *1* old residue 95 adding: *1116* *95* *Lys* *N* *N* *124.835* *.* *1* new residue 96 adding: *1117* *96* *Ser* *H* *H* *8.896* *.* *1* old residue 96 adding: *1118* *96* *Ser* *HA* *H* *4.311* *.* *1* old residue 96 adding: *1119* *96* *Ser* *HB2* *H* *3.930* *.* *2* old residue 96 adding: *1120* *96* *Ser* *HB3* *H* *3.806* *.* *2* old residue 96 adding: *1121* *96* *Ser* *C* *C* *175.425* *.* *1* old residue 96 adding: *1122* *96* *Ser* *CA* *C* *58.696* *.* *1* old residue 96 adding: *1123* *96* *Ser* *CB* *C* *63.785* *.* *1* old residue 96 adding: *1124* *96* *Ser* *N* *N* *117.785* *.* *1* new residue 97 adding: *1125* *97* *Leu* *H* *H* *8.433* *.* *1* old residue 97 adding: *1126* *97* *Leu* *HA* *H* *4.286* *.* *1* old residue 97 adding: *1127* *97* *Leu* *HB2* *H* *1.621* *.* *2* old residue 97 adding: *1128* *97* *Leu* *HB3* *H* *1.549* *.* *2* old residue 97 adding: *1129* *97* *Leu* *HG* *H* *1.627* *.* *1* old residue 97 adding: *1130* *97* *Leu* *HD1* *H* *0.901* *.* *1* old residue 97 adding: *1131* *97* *Leu* *HD2* *H* *0.842* *.* *1* old residue 97 adding: *1132* *97* *Leu* *C* *C* *177.584* *.* *1* old residue 97 adding: *1133* *97* *Leu* *CA* *C* *55.657* *.* *1* old residue 97 adding: *1134* *97* *Leu* *CB* *C* *42.137* *.* *1* old residue 97 adding: *1135* *97* *Leu* *CG* *C* *26.956* *.* *1* old residue 97 adding: *1136* *97* *Leu* *CD1* *C* *25.023* *.* *1* old residue 97 adding: *1137* *97* *Leu* *CD2* *C* *23.451* *.* *1* old residue 97 adding: *1138* *97* *Leu* *N* *N* *123.920* *.* *1* new residue 98 adding: *1139* *98* *Glu* *H* *H* *8.183* *.* *1* old residue 98 adding: *1140* *98* *Glu* *HA* *H* *4.133* *.* *1* old residue 98 adding: *1141* *98* *Glu* *HB2* *H* *1.894* *.* *2* old residue 98 adding: *1142* *98* *Glu* *HB3* *H* *1.857* *.* *2* old residue 98 adding: *1143* *98* *Glu* *HG2* *H* *2.200* *.* *2* old residue 98 adding: *1144* *98* *Glu* *HG3* *H* *2.123* *.* *2* old residue 98 adding: *1145* *98* *Glu* *C* *C* *176.501* *.* *1* old residue 98 adding: *1146* *98* *Glu* *CA* *C* *56.919* *.* *1* old residue 98 adding: *1147* *98* *Glu* *CB* *C* *30.093* *.* *1* old residue 98 adding: *1148* *98* *Glu* *CG* *C* *36.171* *.* *1* old residue 98 adding: *1149* *98* *Glu* *N* *N* *120.326* *.* *1* seqcode size is : 98 seqcode: 33 shift counts are : 8 seqcode: 32 shift counts are : 17 seqcode: 90 shift counts are : 14 seqcode: 63 shift counts are : 11 seqcode: 21 shift counts are : 11 seqcode: 71 shift counts are : 11 seqcode: 7 shift counts are : 11 seqcode: 80 shift counts are : 16 seqcode: 26 shift counts are : 17 seqcode: 18 shift counts are : 7 seqcode: 72 shift counts are : 11 seqcode: 16 shift counts are : 14 seqcode: 44 shift counts are : 14 seqcode: 55 shift counts are : 14 seqcode: 74 shift counts are : 6 seqcode: 27 shift counts are : 17 seqcode: 84 shift counts are : 11 seqcode: 95 shift counts are : 17 seqcode: 57 shift counts are : 12 seqcode: 61 shift counts are : 8 seqcode: 20 shift counts are : 11 seqcode: 92 shift counts are : 14 seqcode: 89 shift counts are : 12 seqcode: 10 shift counts are : 12 seqcode: 31 shift counts are : 16 seqcode: 35 shift counts are : 9 seqcode: 11 shift counts are : 12 seqcode: 91 shift counts are : 6 seqcode: 78 shift counts are : 15 seqcode: 48 shift counts are : 9 seqcode: 87 shift counts are : 11 seqcode: 93 shift counts are : 14 seqcode: 77 shift counts are : 17 seqcode: 65 shift counts are : 17 seqcode: 29 shift counts are : 18 seqcode: 50 shift counts are : 8 seqcode: 39 shift counts are : 14 seqcode: 64 shift counts are : 11 seqcode: 97 shift counts are : 14 seqcode: 58 shift counts are : 11 seqcode: 41 shift counts are : 8 seqcode: 12 shift counts are : 14 seqcode: 15 shift counts are : 9 seqcode: 81 shift counts are : 8 seqcode: 52 shift counts are : 16 seqcode: 60 shift counts are : 7 seqcode: 56 shift counts are : 20 seqcode: 73 shift counts are : 8 seqcode: 66 shift counts are : 17 seqcode: 45 shift counts are : 17 seqcode: 86 shift counts are : 8 seqcode: 76 shift counts are : 11 seqcode: 19 shift counts are : 11 seqcode: 62 shift counts are : 18 seqcode: 54 shift counts are : 9 seqcode: 67 shift counts are : 6 seqcode: 70 shift counts are : 7 seqcode: 68 shift counts are : 8 seqcode: 2 shift counts are : 12 seqcode: 17 shift counts are : 12 seqcode: 1 shift counts are : 11 seqcode: 88 shift counts are : 8 seqcode: 30 shift counts are : 8 seqcode: 82 shift counts are : 6 seqcode: 25 shift counts are : 12 seqcode: 28 shift counts are : 11 seqcode: 83 shift counts are : 14 seqcode: 75 shift counts are : 16 seqcode: 40 shift counts are : 17 seqcode: 14 shift counts are : 6 seqcode: 69 shift counts are : 14 seqcode: 59 shift counts are : 14 seqcode: 49 shift counts are : 6 seqcode: 24 shift counts are : 16 seqcode: 53 shift counts are : 6 seqcode: 79 shift counts are : 6 seqcode: 22 shift counts are : 7 seqcode: 42 shift counts are : 14 seqcode: 46 shift counts are : 8 seqcode: 23 shift counts are : 7 seqcode: 13 shift counts are : 8 seqcode: 96 shift counts are : 8 seqcode: 6 shift counts are : 8 seqcode: 85 shift counts are : 14 seqcode: 3 shift counts are : 16 seqcode: 36 shift counts are : 17 seqcode: 94 shift counts are : 11 seqcode: 9 shift counts are : 13 seqcode: 51 shift counts are : 14 seqcode: 47 shift counts are : 8 seqcode: 8 shift counts are : 14 seqcode: 38 shift counts are : 15 seqcode: 98 shift counts are : 11 seqcode: 4 shift counts are : 17 seqcode: 34 shift counts are : 6 seqcode: 37 shift counts are : 6 seqcode: 43 shift counts are : 18 seqcode: 5 shift counts are : 14 setting ambig code at 242 for HG2 to 2 setting ambig code at 241 for HG1 to 2 setting ambig code at 852 for HG2 to 2 setting ambig code at 851 for HG1 to 2 setting ambig code at 534 for HD2 to 2 setting ambig code at 533 for HD1 to 2 setting ambig code at 649 for HD2 to 2 setting ambig code at 648 for HD1 to 2 setting ambig code at 231 for HG2 to 2 setting ambig code at 230 for HG1 to 2 setting ambig code at 1019 for HG2 to 2 setting ambig code at 1018 for HG1 to 2 setting ambig code at 463 for HD2 to 2 setting ambig code at 462 for HD1 to 2 setting ambig code at 761 for HG2 to 2 setting ambig code at 760 for HG1 to 2 setting ambig code at 1137 for HD2 to 2 setting ambig code at 1136 for HD1 to 2 setting ambig code at 153 for HD2 to 2 setting ambig code at 152 for HD1 to 2 setting ambig code at 893 for HG2 to 2 setting ambig code at 892 for HG1 to 2 setting ambig code at 975 for HD2 to 2 setting ambig code at 974 for HD1 to 2 setting ambig code at 706 for HD2 to 2 setting ambig code at 705 for HD1 to 2 setting ambig code at 502 for HD2 to 2 setting ambig code at 501 for HD1 to 2 setting ambig code at 102 for HD2 to 2 setting ambig code at 101 for HD1 to 2 1 1 MET HA H 4.017 . 1 2 1 MET HB2 H 2.062 . 2 3 1 MET HB3 H 1.985 . 2 4 1 MET HG2 H 2.456 . 2 5 1 MET HG3 H 2.170 . 2 6 1 MET HE H 2.011 . 1 7 1 MET C C 171.197 . 1 8 1 MET CA C 54.771 . 1 9 1 MET CB C 32.726 . 1 10 1 MET CG C 31.029 . 1 11 1 MET CE C 16.794 . 1 12 2 ASN H H 8.463 . 1 13 2 ASN HA H 5.267 . 1 14 2 ASN HB2 H 2.632 . 2 15 2 ASN HB3 H 2.536 . 2 16 2 ASN HD21 H 7.476 . 1 17 2 ASN HD22 H 6.855 . 1 18 2 ASN C C 174.227 . 1 19 2 ASN CA C 52.632 . 1 20 2 ASN CB C 39.376 . 1 21 2 ASN CG C 176.802 . 1 22 2 ASN N N 123.179 . 1 23 2 ASN ND2 N 112.342 . 1 24 3 TYR H H 8.841 . 1 25 3 TYR HA H 4.761 . 1 26 3 TYR HB2 H 3.183 . 2 27 3 TYR HB3 H 2.121 . 2 28 3 TYR HD1 H 6.917 . 3 29 3 TYR HD2 H 6.917 . 3 30 3 TYR HE1 H 6.800 . 3 31 3 TYR HE2 H 6.800 . 3 32 3 TYR C C 176.995 . 1 33 3 TYR CA C 57.652 . 1 34 3 TYR CB C 42.984 . 1 35 3 TYR CD1 C 132.912 . 3 36 3 TYR CD2 C 132.912 . 3 37 3 TYR CE1 C 117.910 . 3 38 3 TYR CE2 C 117.910 . 3 39 3 TYR N N 120.086 . 1 40 4 LYS H H 8.789 . 1 41 4 LYS HA H 4.550 . 1 42 4 LYS HB2 H 2.407 . 2 43 4 LYS HB3 H 1.562 . 2 44 4 LYS HG2 H 1.547 . 2 45 4 LYS HG3 H 1.547 . 2 46 4 LYS HD2 H 1.798 . 2 47 4 LYS HD3 H 1.609 . 2 48 4 LYS HE2 H 2.999 . 2 49 4 LYS HE3 H 3.000 . 2 50 4 LYS C C 179.049 . 1 51 4 LYS CA C 53.898 . 1 52 4 LYS CB C 32.017 . 1 53 4 LYS CG C 24.489 . 1 54 4 LYS CD C 27.930 . 1 55 4 LYS CE C 42.170 . 1 56 4 LYS N N 120.118 . 1 57 5 ILE H H 10.387 . 1 58 5 ILE HA H 3.306 . 1 59 5 ILE HB H 1.636 . 1 60 5 ILE HG12 H 1.703 . 2 61 5 ILE HG13 H 0.553 . 2 62 5 ILE HG2 H 0.490 . 1 63 5 ILE HD1 H 0.666 . 1 64 5 ILE C C 179.084 . 1 65 5 ILE CA C 66.840 . 1 66 5 ILE CB C 36.598 . 1 67 5 ILE CG1 C 32.516 . 1 68 5 ILE CG2 C 17.612 . 1 69 5 ILE CD1 C 13.853 . 1 70 5 ILE N N 126.013 . 1 71 6 SER H H 8.986 . 1 72 6 SER HA H 4.087 . 1 73 6 SER HB2 H 4.072 . 2 74 6 SER HB3 H 3.731 . 2 75 6 SER C C 175.744 . 1 76 6 SER CA C 60.449 . 1 77 6 SER CB C 62.537 . 1 78 6 SER N N 115.336 . 1 79 7 GLU H H 7.790 . 1 80 7 GLU HA H 4.254 . 1 81 7 GLU HB2 H 2.486 . 2 82 7 GLU HB3 H 2.262 . 2 83 7 GLU HG2 H 2.286 . 2 84 7 GLU HG3 H 2.286 . 2 85 7 GLU C C 176.407 . 1 86 7 GLU CA C 56.032 . 1 87 7 GLU CB C 31.225 . 1 88 7 GLU CG C 37.223 . 1 89 7 GLU N N 120.530 . 1 90 8 LEU H H 7.258 . 1 91 8 LEU HA H 3.595 . 1 92 8 LEU HB2 H 1.772 . 2 93 8 LEU HB3 H 0.956 . 2 94 8 LEU HG H 1.839 . 1 95 8 LEU HD1 H 0.681 . 2 96 8 LEU HD2 H 0.240 . 2 97 8 LEU C C 175.074 . 1 98 8 LEU CA C 55.412 . 1 99 8 LEU CB C 41.939 . 1 100 8 LEU CG C 25.764 . 1 101 8 LEU CD1 C 26.660 . 2 102 8 LEU CD2 C 21.357 . 2 103 8 LEU N N 116.521 . 1 104 9 MET H H 6.468 . 1 105 9 MET HA H 4.734 . 1 106 9 MET HB2 H 2.047 . 2 107 9 MET HB3 H 1.691 . 2 108 9 MET HG2 H 2.470 . 2 109 9 MET HG3 H 2.399 . 2 110 9 MET HE H 2.084 . 1 111 9 MET C C 171.512 . 1 112 9 MET CA C 52.425 . 1 113 9 MET CB C 34.417 . 1 114 9 MET CG C 31.409 . 1 115 9 MET CE C 17.197 . 1 116 9 MET N N 116.450 . 1 117 10 PRO HA H 3.771 . 1 118 10 PRO HB2 H 2.153 . 2 119 10 PRO HB3 H 1.870 . 2 120 10 PRO HG2 H 2.145 . 2 121 10 PRO HG3 H 1.737 . 2 122 10 PRO HD2 H 3.695 . 2 123 10 PRO HD3 H 3.572 . 2 124 10 PRO C C 175.996 . 1 125 10 PRO CA C 63.680 . 1 126 10 PRO CB C 31.982 . 1 127 10 PRO CG C 28.056 . 1 128 10 PRO CD C 50.234 . 1 129 11 ASN H H 8.810 . 1 130 11 ASN HA H 4.203 . 1 131 11 ASN HB2 H 3.181 . 2 132 11 ASN HB3 H 3.117 . 2 133 11 ASN HD21 H 7.687 . 1 134 11 ASN HD22 H 7.076 . 1 135 11 ASN C C 173.628 . 1 136 11 ASN CA C 54.925 . 1 137 11 ASN CB C 36.745 . 1 138 11 ASN CG C 178.798 . 1 139 11 ASN N N 114.771 . 1 140 11 ASN ND2 N 114.671 . 1 141 12 LEU H H 7.161 . 1 142 12 LEU HA H 4.535 . 1 143 12 LEU HB2 H 1.481 . 2 144 12 LEU HB3 H 1.384 . 2 145 12 LEU HG H 1.470 . 1 146 12 LEU HD1 H 0.708 . 2 147 12 LEU HD2 H 0.571 . 2 148 12 LEU C C 175.160 . 1 149 12 LEU CA C 54.404 . 1 150 12 LEU CB C 45.093 . 1 151 12 LEU CG C 26.428 . 1 152 12 LEU CD1 C 24.787 . 2 153 12 LEU CD2 C 24.811 . 2 154 12 LEU N N 119.367 . 1 155 13 SER H H 8.245 . 1 156 13 SER HA H 5.543 . 1 157 13 SER HB2 H 3.767 . 2 158 13 SER HB3 H 3.705 . 2 159 13 SER C C 174.446 . 1 160 13 SER CA C 56.434 . 1 161 13 SER CB C 64.900 . 1 162 13 SER N N 116.161 . 1 163 14 GLY H H 8.559 . 1 164 14 GLY HA2 H 4.574 . 2 165 14 GLY HA3 H 4.107 . 2 166 14 GLY C C 170.848 . 1 167 14 GLY CA C 45.998 . 1 168 14 GLY N N 110.197 . 1 169 15 THR H H 8.296 . 1 170 15 THR HA H 5.536 . 1 171 15 THR HB H 3.835 . 1 172 15 THR HG2 H 1.078 . 1 173 15 THR C C 173.498 . 1 174 15 THR CA C 61.739 . 1 175 15 THR CB C 71.682 . 1 176 15 THR CG2 C 22.350 . 1 177 15 THR N N 116.140 . 1 178 16 ILE H H 9.269 . 1 179 16 ILE HA H 5.055 . 1 180 16 ILE HB H 1.903 . 1 181 16 ILE HG12 H 1.307 . 2 182 16 ILE HG13 H 1.065 . 2 183 16 ILE HG2 H 0.776 . 1 184 16 ILE HD1 H 0.553 . 1 185 16 ILE C C 174.191 . 1 186 16 ILE CA C 59.046 . 1 187 16 ILE CB C 41.625 . 1 188 16 ILE CG1 C 26.197 . 1 189 16 ILE CG2 C 17.508 . 1 190 16 ILE CD1 C 14.331 . 1 191 16 ILE N N 118.939 . 1 192 17 ASN H H 8.962 . 1 193 17 ASN HA H 5.554 . 1 194 17 ASN HB2 H 2.682 . 2 195 17 ASN HB3 H 2.486 . 2 196 17 ASN HD21 H 7.302 . 1 197 17 ASN HD22 H 6.848 . 1 198 17 ASN C C 173.926 . 1 199 17 ASN CA C 52.512 . 1 200 17 ASN CB C 40.602 . 1 201 17 ASN CG C 176.690 . 1 202 17 ASN N N 122.622 . 1 203 17 ASN ND2 N 109.841 . 1 204 18 ALA H H 9.124 . 1 205 18 ALA HA H 4.908 . 1 206 18 ALA HB H 1.189 . 1 207 18 ALA C C 174.207 . 1 208 18 ALA CA C 50.697 . 1 209 18 ALA CB C 24.641 . 1 210 18 ALA N N 124.290 . 1 211 19 GLU H H 9.039 . 1 212 19 GLU HA H 4.814 . 1 213 19 GLU HB2 H 1.942 . 2 214 19 GLU HB3 H 1.935 . 2 215 19 GLU HG2 H 2.052 . 2 216 19 GLU HG3 H 2.052 . 2 217 19 GLU C C 176.585 . 1 218 19 GLU CA C 54.930 . 1 219 19 GLU CB C 31.588 . 1 220 19 GLU CG C 36.133 . 1 221 19 GLU N N 121.340 . 1 222 20 VAL H H 9.261 . 1 223 20 VAL HA H 4.170 . 1 224 20 VAL HB H 2.433 . 1 225 20 VAL HG1 H 0.692 . 2 226 20 VAL HG2 H 0.821 . 2 227 20 VAL C C 176.244 . 1 228 20 VAL CA C 62.905 . 1 229 20 VAL CB C 30.719 . 1 230 20 VAL CG1 C 22.153 . 2 231 20 VAL CG2 C 20.574 . 2 232 20 VAL N N 126.296 . 1 233 21 VAL H H 9.145 . 1 234 21 VAL HA H 4.149 . 1 235 21 VAL HB H 1.999 . 1 236 21 VAL HG1 H 0.959 . 2 237 21 VAL HG2 H 0.871 . 2 238 21 VAL C C 175.818 . 1 239 21 VAL CA C 63.590 . 1 240 21 VAL CB C 32.532 . 1 241 21 VAL CG1 C 21.689 . 2 242 21 VAL CG2 C 21.608 . 2 243 21 VAL N N 130.990 . 1 244 22 ALA H H 7.767 . 1 245 22 ALA HA H 4.358 . 1 246 22 ALA HB H 1.205 . 1 247 22 ALA C C 174.363 . 1 248 22 ALA CA C 52.283 . 1 249 22 ALA CB C 22.673 . 1 250 22 ALA N N 118.623 . 1 251 23 ALA H H 8.497 . 1 252 23 ALA HA H 4.758 . 1 253 23 ALA HB H 1.119 . 1 254 23 ALA C C 175.197 . 1 255 23 ALA CA C 51.244 . 1 256 23 ALA CB C 21.158 . 1 257 23 ALA N N 124.528 . 1 258 24 TYR H H 8.102 . 1 259 24 TYR HA H 4.787 . 1 260 24 TYR HB2 H 3.233 . 2 261 24 TYR HB3 H 3.023 . 2 262 24 TYR HD1 H 7.092 . 3 263 24 TYR HD2 H 7.092 . 3 264 24 TYR HE1 H 6.664 . 3 265 24 TYR HE2 H 6.664 . 3 266 24 TYR C C 173.124 . 1 267 24 TYR CA C 57.008 . 1 268 24 TYR CB C 37.376 . 1 269 24 TYR CD1 C 132.659 . 3 270 24 TYR CD2 C 132.659 . 3 271 24 TYR CE1 C 118.138 . 3 272 24 TYR CE2 C 118.138 . 3 273 24 TYR N N 124.067 . 1 274 25 PRO HA H 4.504 . 1 275 25 PRO HB2 H 2.455 . 2 276 25 PRO HB3 H 1.887 . 2 277 25 PRO HG2 H 2.200 . 2 278 25 PRO HG3 H 2.102 . 2 279 25 PRO HD2 H 4.019 . 2 280 25 PRO HD3 H 3.829 . 2 281 25 PRO C C 177.481 . 1 282 25 PRO CA C 62.781 . 1 283 25 PRO CB C 32.106 . 1 284 25 PRO CG C 28.139 . 1 285 25 PRO CD C 50.612 . 1 286 26 LYS H H 8.728 . 1 287 26 LYS HA H 4.570 . 1 288 26 LYS HB2 H 1.761 . 2 289 26 LYS HB3 H 1.761 . 2 290 26 LYS HG2 H 1.328 . 2 291 26 LYS HG3 H 1.328 . 2 292 26 LYS HD2 H 1.542 . 2 293 26 LYS HD3 H 1.276 . 2 294 26 LYS HE2 H 2.919 . 2 295 26 LYS HE3 H 2.739 . 2 296 26 LYS C C 175.320 . 1 297 26 LYS CA C 57.293 . 1 298 26 LYS CB C 33.355 . 1 299 26 LYS CG C 25.073 . 1 300 26 LYS CD C 29.604 . 1 301 26 LYS CE C 42.004 . 1 302 26 LYS N N 122.955 . 1 303 27 LYS H H 9.241 . 1 304 27 LYS HA H 4.795 . 1 305 27 LYS HB2 H 1.888 . 2 306 27 LYS HB3 H 1.742 . 2 307 27 LYS HG2 H 1.495 . 2 308 27 LYS HG3 H 1.495 . 2 309 27 LYS HD2 H 1.712 . 2 310 27 LYS HD3 H 1.712 . 2 311 27 LYS HE2 H 2.989 . 2 312 27 LYS HE3 H 2.989 . 2 313 27 LYS C C 175.096 . 1 314 27 LYS CA C 54.728 . 1 315 27 LYS CB C 36.069 . 1 316 27 LYS CG C 24.544 . 1 317 27 LYS CD C 29.169 . 1 318 27 LYS CE C 42.182 . 1 319 27 LYS N N 124.071 . 1 320 28 GLU H H 8.547 . 1 321 28 GLU HA H 5.151 . 1 322 28 GLU HB2 H 2.020 . 2 323 28 GLU HB3 H 2.020 . 2 324 28 GLU HG2 H 2.294 . 2 325 28 GLU HG3 H 2.243 . 2 326 28 GLU C C 175.978 . 1 327 28 GLU CA C 55.179 . 1 328 28 GLU CB C 32.453 . 1 329 28 GLU CG C 37.240 . 1 330 28 GLU N N 121.689 . 1 331 29 PHE H H 8.174 . 1 332 29 PHE HA H 5.053 . 1 333 29 PHE HB2 H 3.174 . 2 334 29 PHE HB3 H 2.967 . 2 335 29 PHE HD1 H 6.933 . 3 336 29 PHE HD2 H 6.933 . 3 337 29 PHE HE1 H 7.341 . 3 338 29 PHE HE2 H 7.341 . 3 339 29 PHE HZ H 7.561 . 1 340 29 PHE C C 173.242 . 1 341 29 PHE CA C 56.071 . 1 342 29 PHE CB C 41.617 . 1 343 29 PHE CD1 C 132.509 . 3 344 29 PHE CD2 C 132.509 . 3 345 29 PHE CE1 C 131.108 . 3 346 29 PHE CE2 C 131.108 . 3 347 29 PHE CZ C 129.952 . 1 348 29 PHE N N 119.486 . 1 349 30 SER H H 8.793 . 1 350 30 SER HA H 4.938 . 1 351 30 SER HB2 H 3.837 . 2 352 30 SER HB3 H 3.767 . 2 353 30 SER C C 174.676 . 1 354 30 SER CA C 57.827 . 1 355 30 SER CB C 64.459 . 1 356 30 SER N N 116.274 . 1 357 31 ARG H H 8.913 . 1 358 31 ARG HA H 4.633 . 1 359 31 ARG HB2 H 1.963 . 2 360 31 ARG HB3 H 1.963 . 2 361 31 ARG HG2 H 1.657 . 2 362 31 ARG HG3 H 1.500 . 2 363 31 ARG HD2 H 3.160 . 2 364 31 ARG HD3 H 3.105 . 2 365 31 ARG HE H 7.184 . 1 366 31 ARG C C 178.573 . 1 367 31 ARG CA C 55.863 . 1 368 31 ARG CB C 31.642 . 1 369 31 ARG CG C 28.724 . 1 370 31 ARG CD C 43.392 . 1 371 31 ARG N N 123.734 . 1 372 31 ARG NE N 84.776 . 1 373 32 LYS H H 8.896 . 1 374 32 LYS HA H 4.095 . 1 375 32 LYS HB2 H 1.890 . 2 376 32 LYS HB3 H 1.890 . 2 377 32 LYS HG2 H 1.546 . 2 378 32 LYS HG3 H 1.520 . 2 379 32 LYS HD2 H 1.712 . 2 380 32 LYS HD3 H 1.712 . 2 381 32 LYS HE2 H 3.012 . 2 382 32 LYS HE3 H 3.012 . 2 383 32 LYS C C 176.962 . 1 384 32 LYS CA C 59.147 . 1 385 32 LYS CB C 31.898 . 1 386 32 LYS CG C 24.799 . 1 387 32 LYS CD C 28.986 . 1 388 32 LYS CE C 42.166 . 1 389 32 LYS N N 122.362 . 1 390 33 ASP H H 7.634 . 1 391 33 ASP HA H 4.516 . 1 392 33 ASP HB2 H 3.129 . 2 393 33 ASP HB3 H 2.591 . 2 394 33 ASP C C 177.093 . 1 395 33 ASP CA C 53.321 . 1 396 33 ASP CB C 40.064 . 1 397 33 ASP N N 115.529 . 1 398 34 GLY H H 8.084 . 1 399 34 GLY HA2 H 4.347 . 2 400 34 GLY HA3 H 3.723 . 2 401 34 GLY C C 175.294 . 1 402 34 GLY CA C 45.321 . 1 403 34 GLY N N 107.892 . 1 404 35 THR H H 8.020 . 1 405 35 THR HA H 4.384 . 1 406 35 THR HB H 4.261 . 1 407 35 THR HG2 H 1.178 . 1 408 35 THR C C 173.396 . 1 409 35 THR CA C 62.077 . 1 410 35 THR CB C 70.956 . 1 411 35 THR CG2 C 21.744 . 1 412 35 THR N N 113.323 . 1 413 36 LYS H H 8.420 . 1 414 36 LYS HA H 4.888 . 1 415 36 LYS HB2 H 1.710 . 2 416 36 LYS HB3 H 1.710 . 2 417 36 LYS HG2 H 1.437 . 2 418 36 LYS HG3 H 1.350 . 2 419 36 LYS HD2 H 1.564 . 2 420 36 LYS HD3 H 1.537 . 2 421 36 LYS HE2 H 2.896 . 2 422 36 LYS HE3 H 2.896 . 2 423 36 LYS C C 176.808 . 1 424 36 LYS CA C 55.519 . 1 425 36 LYS CB C 34.393 . 1 426 36 LYS CG C 24.708 . 1 427 36 LYS CD C 28.981 . 1 428 36 LYS CE C 42.106 . 1 429 36 LYS N N 119.442 . 1 430 37 GLY H H 8.225 . 1 431 37 GLY HA2 H 4.424 . 2 432 37 GLY HA3 H 3.076 . 2 433 37 GLY C C 172.281 . 1 434 37 GLY CA C 43.812 . 1 435 37 GLY N N 111.135 . 1 436 38 GLN H H 7.997 . 1 437 38 GLN HA H 5.590 . 1 438 38 GLN HB2 H 2.455 . 2 439 38 GLN HB3 H 2.222 . 2 440 38 GLN HG2 H 2.301 . 2 441 38 GLN HG3 H 1.639 . 2 442 38 GLN HE21 H 7.276 . 1 443 38 GLN HE22 H 7.017 . 1 444 38 GLN C C 173.846 . 1 445 38 GLN CA C 54.040 . 1 446 38 GLN CB C 31.994 . 1 447 38 GLN CG C 32.046 . 1 448 38 GLN CD C 180.064 . 1 449 38 GLN N N 113.711 . 1 450 38 GLN NE2 N 112.841 . 1 451 39 LEU H H 9.058 . 1 452 39 LEU HA H 5.239 . 1 453 39 LEU HB2 H 1.382 . 2 454 39 LEU HB3 H 0.790 . 2 455 39 LEU HG H 1.413 . 1 456 39 LEU HD1 H 0.332 . 2 457 39 LEU HD2 H 0.472 . 2 458 39 LEU C C 174.377 . 1 459 39 LEU CA C 54.402 . 1 460 39 LEU CB C 44.492 . 1 461 39 LEU CG C 26.012 . 1 462 39 LEU CD1 C 24.649 . 2 463 39 LEU CD2 C 26.883 . 2 464 39 LEU N N 119.380 . 1 465 40 LYS H H 8.903 . 1 466 40 LYS HA H 4.681 . 1 467 40 LYS HB2 H 1.780 . 2 468 40 LYS HB3 H 1.736 . 2 469 40 LYS HG2 H 1.846 . 2 470 40 LYS HG3 H 1.200 . 2 471 40 LYS HD2 H 1.896 . 2 472 40 LYS HD3 H 1.718 . 2 473 40 LYS HE2 H 3.154 . 2 474 40 LYS HE3 H 2.873 . 2 475 40 LYS C C 174.338 . 1 476 40 LYS CA C 56.268 . 1 477 40 LYS CB C 37.139 . 1 478 40 LYS CG C 24.559 . 1 479 40 LYS CD C 30.617 . 1 480 40 LYS CE C 42.329 . 1 481 40 LYS N N 122.261 . 1 482 41 SER H H 8.988 . 1 483 41 SER HA H 5.088 . 1 484 41 SER HB2 H 3.718 . 2 485 41 SER HB3 H 3.586 . 2 486 41 SER C C 172.356 . 1 487 41 SER CA C 58.525 . 1 488 41 SER CB C 64.486 . 1 489 41 SER N N 123.588 . 1 490 42 LEU H H 9.005 . 1 491 42 LEU HA H 5.178 . 1 492 42 LEU HB2 H 1.560 . 2 493 42 LEU HB3 H 1.459 . 2 494 42 LEU HG H 1.627 . 1 495 42 LEU HD1 H 0.751 . 2 496 42 LEU HD2 H 0.894 . 2 497 42 LEU C C 175.920 . 1 498 42 LEU CA C 52.926 . 1 499 42 LEU CB C 46.681 . 1 500 42 LEU CG C 27.122 . 1 501 42 LEU CD1 C 26.183 . 2 502 42 LEU CD2 C 23.840 . 2 503 42 LEU N N 120.695 . 1 504 43 PHE H H 9.053 . 1 505 43 PHE HA H 5.253 . 1 506 43 PHE HB2 H 3.108 . 2 507 43 PHE HB3 H 3.046 . 2 508 43 PHE HD1 H 7.123 . 3 509 43 PHE HD2 H 7.123 . 3 510 43 PHE HE1 H 7.255 . 3 511 43 PHE HE2 H 7.255 . 3 512 43 PHE HZ H 7.295 . 1 513 43 PHE C C 174.488 . 1 514 43 PHE CA C 57.407 . 1 515 43 PHE CB C 41.838 . 1 516 43 PHE CD1 C 130.766 . 3 517 43 PHE CD2 C 130.766 . 3 518 43 PHE CE1 C 131.457 . 3 519 43 PHE CE2 C 131.457 . 3 520 43 PHE CZ C 129.963 . 1 521 43 PHE N N 123.160 . 1 522 44 LEU H H 8.802 . 1 523 44 LEU HA H 5.352 . 1 524 44 LEU HB2 H 1.762 . 2 525 44 LEU HB3 H 1.141 . 2 526 44 LEU HG H 1.473 . 1 527 44 LEU HD1 H 0.639 . 2 528 44 LEU HD2 H 0.776 . 2 529 44 LEU C C 174.881 . 1 530 44 LEU CA C 53.700 . 1 531 44 LEU CB C 44.689 . 1 532 44 LEU CG C 27.137 . 1 533 44 LEU CD1 C 25.806 . 2 534 44 LEU CD2 C 24.938 . 2 535 44 LEU N N 127.768 . 1 536 45 LYS H H 9.209 . 1 537 45 LYS HA H 5.247 . 1 538 45 LYS HB2 H 1.777 . 2 539 45 LYS HB3 H 1.588 . 2 540 45 LYS HG2 H 1.392 . 2 541 45 LYS HG3 H 1.358 . 2 542 45 LYS HD2 H 1.573 . 2 543 45 LYS HD3 H 1.519 . 2 544 45 LYS HE2 H 2.857 . 2 545 45 LYS HE3 H 2.857 . 2 546 45 LYS C C 174.858 . 1 547 45 LYS CA C 55.625 . 1 548 45 LYS CB C 37.681 . 1 549 45 LYS CG C 24.310 . 1 550 45 LYS CD C 29.700 . 1 551 45 LYS CE C 42.108 . 1 552 45 LYS N N 120.149 . 1 553 46 ASP H H 8.910 . 1 554 46 ASP HA H 5.145 . 1 555 46 ASP HB2 H 3.474 . 2 556 46 ASP HB3 H 3.080 . 2 557 46 ASP C C 175.664 . 1 558 46 ASP CA C 52.599 . 1 559 46 ASP CB C 41.838 . 1 560 46 ASP N N 126.536 . 1 561 47 ASP H H 8.995 . 1 562 47 ASP HA H 4.503 . 1 563 47 ASP HB2 H 2.794 . 2 564 47 ASP HB3 H 2.794 . 2 565 47 ASP C C 176.517 . 1 566 47 ASP CA C 55.822 . 1 567 47 ASP CB C 39.384 . 1 568 47 ASP N N 114.512 . 1 569 48 THR H H 9.629 . 1 570 48 THR HA H 4.655 . 1 571 48 THR HB H 4.363 . 1 572 48 THR HG2 H 1.138 . 1 573 48 THR C C 174.998 . 1 574 48 THR CA C 62.095 . 1 575 48 THR CB C 70.642 . 1 576 48 THR CG2 C 22.538 . 1 577 48 THR N N 111.625 . 1 578 49 GLY H H 7.672 . 1 579 49 GLY HA2 H 4.086 . 2 580 49 GLY HA3 H 4.086 . 2 581 49 GLY C C 169.709 . 1 582 49 GLY CA C 45.846 . 1 583 49 GLY N N 110.638 . 1 584 50 SER H H 8.255 . 1 585 50 SER HA H 5.658 . 1 586 50 SER HB2 H 3.679 . 2 587 50 SER HB3 H 3.679 . 2 588 50 SER C C 172.854 . 1 589 50 SER CA C 56.809 . 1 590 50 SER CB C 67.002 . 1 591 50 SER N N 111.880 . 1 592 51 ILE H H 9.231 . 1 593 51 ILE HA H 4.556 . 1 594 51 ILE HB H 1.581 . 1 595 51 ILE HG12 H 1.586 . 2 596 51 ILE HG13 H 1.476 . 2 597 51 ILE HG2 H 0.508 . 1 598 51 ILE HD1 H 0.581 . 1 599 51 ILE C C 171.664 . 1 600 51 ILE CA C 61.205 . 1 601 51 ILE CB C 41.997 . 1 602 51 ILE CG1 C 29.000 . 1 603 51 ILE CG2 C 15.339 . 1 604 51 ILE CD1 C 15.949 . 1 605 51 ILE N N 120.991 . 1 606 52 ARG H H 7.513 . 1 607 52 ARG HA H 4.923 . 1 608 52 ARG HB2 H 1.875 . 2 609 52 ARG HB3 H 1.741 . 2 610 52 ARG HG2 H 1.548 . 2 611 52 ARG HG3 H 1.466 . 2 612 52 ARG HD2 H 3.080 . 2 613 52 ARG HD3 H 3.080 . 2 614 52 ARG HE H 7.118 . 1 615 52 ARG C C 175.613 . 1 616 52 ARG CA C 55.652 . 1 617 52 ARG CB C 32.022 . 1 618 52 ARG CG C 28.021 . 1 619 52 ARG CD C 43.423 . 1 620 52 ARG N N 125.893 . 1 621 52 ARG NE N 84.268 . 1 622 53 GLY H H 9.053 . 1 623 53 GLY HA2 H 5.493 . 2 624 53 GLY HA3 H 3.031 . 2 625 53 GLY C C 172.146 . 1 626 53 GLY CA C 44.264 . 1 627 53 GLY N N 109.869 . 1 628 54 THR H H 8.516 . 1 629 54 THR HA H 4.629 . 1 630 54 THR HB H 3.673 . 1 631 54 THR HG2 H 0.145 . 1 632 54 THR C C 172.139 . 1 633 54 THR CA C 62.000 . 1 634 54 THR CB C 70.681 . 1 635 54 THR CG2 C 22.729 . 1 636 54 THR N N 116.809 . 1 637 55 LEU H H 8.804 . 1 638 55 LEU HA H 4.467 . 1 639 55 LEU HB2 H 1.820 . 2 640 55 LEU HB3 H 1.098 . 2 641 55 LEU HG H 1.537 . 1 642 55 LEU HD1 H 0.922 . 2 643 55 LEU HD2 H 0.779 . 2 644 55 LEU C C 175.109 . 1 645 55 LEU CA C 53.468 . 1 646 55 LEU CB C 42.053 . 1 647 55 LEU CG C 27.133 . 1 648 55 LEU CD1 C 25.764 . 2 649 55 LEU CD2 C 24.522 . 2 650 55 LEU N N 126.567 . 1 651 56 TRP H H 9.440 . 1 652 56 TRP HA H 5.033 . 1 653 56 TRP HB2 H 3.345 . 2 654 56 TRP HB3 H 3.224 . 2 655 56 TRP HD1 H 7.340 . 1 656 56 TRP HE1 H 9.976 . 1 657 56 TRP HE3 H 7.683 . 1 658 56 TRP HZ2 H 7.423 . 1 659 56 TRP HZ3 H 6.521 . 1 660 56 TRP HH2 H 6.939 . 1 661 56 TRP C C 177.678 . 1 662 56 TRP CA C 56.493 . 1 663 56 TRP CB C 32.242 . 1 664 56 TRP CD1 C 128.102 . 1 665 56 TRP CE3 C 120.219 . 1 666 56 TRP CZ2 C 114.580 . 1 667 56 TRP CZ3 C 122.440 . 1 668 56 TRP CH2 C 124.431 . 1 669 56 TRP N N 122.317 . 1 670 56 TRP NE1 N 129.108 . 1 671 57 ASN H H 9.413 . 1 672 57 ASN HA H 4.539 . 1 673 57 ASN HB2 H 3.318 . 2 674 57 ASN HB3 H 3.065 . 2 675 57 ASN HD21 H 8.104 . 1 676 57 ASN HD22 H 7.150 . 1 677 57 ASN C C 177.810 . 1 678 57 ASN CA C 55.159 . 1 679 57 ASN CB C 36.898 . 1 680 57 ASN CG C 176.924 . 1 681 57 ASN N N 119.168 . 1 682 57 ASN ND2 N 115.283 . 1 683 58 GLU H H 10.032 . 1 684 58 GLU HA H 4.225 . 1 685 58 GLU HB2 H 2.202 . 2 686 58 GLU HB3 H 2.202 . 2 687 58 GLU HG2 H 2.510 . 2 688 58 GLU HG3 H 2.510 . 2 689 58 GLU C C 179.208 . 1 690 58 GLU CA C 60.654 . 1 691 58 GLU CB C 28.259 . 1 692 58 GLU CG C 36.553 . 1 693 58 GLU N N 127.238 . 1 694 59 LEU H H 7.931 . 1 695 59 LEU HA H 4.339 . 1 696 59 LEU HB2 H 1.951 . 2 697 59 LEU HB3 H 1.647 . 2 698 59 LEU HG H 1.899 . 1 699 59 LEU HD1 H 0.984 . 2 700 59 LEU HD2 H 0.895 . 2 701 59 LEU C C 177.812 . 1 702 59 LEU CA C 56.194 . 1 703 59 LEU CB C 41.686 . 1 704 59 LEU CG C 27.818 . 1 705 59 LEU CD1 C 24.999 . 2 706 59 LEU CD2 C 23.959 . 2 707 59 LEU N N 118.982 . 1 708 60 ALA H H 7.812 . 1 709 60 ALA HA H 3.955 . 1 710 60 ALA HB H 1.215 . 1 711 60 ALA C C 176.441 . 1 712 60 ALA CA C 53.722 . 1 713 60 ALA CB C 17.436 . 1 714 60 ALA N N 119.898 . 1 715 61 ASP H H 6.997 . 1 716 61 ASP HA H 4.796 . 1 717 61 ASP HB2 H 2.954 . 2 718 61 ASP HB3 H 2.476 . 2 719 61 ASP C C 175.661 . 1 720 61 ASP CA C 54.728 . 1 721 61 ASP CB C 41.769 . 1 722 61 ASP N N 112.739 . 1 723 62 PHE H H 7.851 . 1 724 62 PHE HA H 4.099 . 1 725 62 PHE HB2 H 3.302 . 2 726 62 PHE HB3 H 2.935 . 2 727 62 PHE HD1 H 7.024 . 3 728 62 PHE HD2 H 7.024 . 3 729 62 PHE HE1 H 7.193 . 3 730 62 PHE HE2 H 7.191 . 3 731 62 PHE HZ H 7.264 . 1 732 62 PHE C C 175.543 . 1 733 62 PHE CA C 59.847 . 1 734 62 PHE CB C 40.472 . 1 735 62 PHE CD1 C 131.881 . 3 736 62 PHE CD2 C 131.881 . 3 737 62 PHE CE1 C 131.469 . 3 738 62 PHE CE2 C 131.469 . 3 739 62 PHE CZ C 129.751 . 1 740 62 PHE N N 124.447 . 1 741 63 GLU H H 7.929 . 1 742 63 GLU HA H 4.166 . 1 743 63 GLU HB2 H 1.745 . 2 744 63 GLU HB3 H 1.680 . 2 745 63 GLU HG2 H 2.080 . 2 746 63 GLU HG3 H 2.056 . 2 747 63 GLU C C 173.517 . 1 748 63 GLU CA C 56.734 . 1 749 63 GLU CB C 28.718 . 1 750 63 GLU CG C 35.928 . 1 751 63 GLU N N 129.551 . 1 752 64 VAL H H 7.492 . 1 753 64 VAL HA H 4.550 . 1 754 64 VAL HB H 2.176 . 1 755 64 VAL HG1 H 0.954 . 2 756 64 VAL HG2 H 1.071 . 2 757 64 VAL C C 171.874 . 1 758 64 VAL CA C 59.449 . 1 759 64 VAL CB C 33.838 . 1 760 64 VAL CG1 C 19.873 . 2 761 64 VAL CG2 C 22.813 . 2 762 64 VAL N N 124.341 . 1 763 65 LYS H H 9.121 . 1 764 65 LYS HA H 4.612 . 1 765 65 LYS HB2 H 1.764 . 2 766 65 LYS HB3 H 1.711 . 2 767 65 LYS HG2 H 1.418 . 2 768 65 LYS HG3 H 1.182 . 2 769 65 LYS HD2 H 1.583 . 2 770 65 LYS HD3 H 1.583 . 2 771 65 LYS HE2 H 2.953 . 2 772 65 LYS HE3 H 2.953 . 2 773 65 LYS C C 174.785 . 1 774 65 LYS CA C 53.915 . 1 775 65 LYS CB C 36.222 . 1 776 65 LYS CG C 23.530 . 1 777 65 LYS CD C 29.049 . 1 778 65 LYS CE C 42.320 . 1 779 65 LYS N N 126.710 . 1 780 66 LYS H H 8.380 . 1 781 66 LYS HA H 3.751 . 1 782 66 LYS HB2 H 1.716 . 2 783 66 LYS HB3 H 1.655 . 2 784 66 LYS HG2 H 1.442 . 2 785 66 LYS HG3 H 1.263 . 2 786 66 LYS HD2 H 1.758 . 2 787 66 LYS HD3 H 1.672 . 2 788 66 LYS HE2 H 3.064 . 2 789 66 LYS HE3 H 3.064 . 2 790 66 LYS C C 177.105 . 1 791 66 LYS CA C 58.171 . 1 792 66 LYS CB C 32.373 . 1 793 66 LYS CG C 24.590 . 1 794 66 LYS CD C 29.645 . 1 795 66 LYS CE C 42.108 . 1 796 66 LYS N N 119.894 . 1 797 67 GLY H H 9.371 . 1 798 67 GLY HA2 H 4.482 . 2 799 67 GLY HA3 H 3.710 . 2 800 67 GLY C C 174.736 . 1 801 67 GLY CA C 44.756 . 1 802 67 GLY N N 116.379 . 1 803 68 ASP H H 8.119 . 1 804 68 ASP HA H 4.625 . 1 805 68 ASP HB2 H 2.859 . 2 806 68 ASP HB3 H 2.535 . 2 807 68 ASP C C 174.625 . 1 808 68 ASP CA C 55.655 . 1 809 68 ASP CB C 41.495 . 1 810 68 ASP N N 121.994 . 1 811 69 ILE H H 8.835 . 1 812 69 ILE HA H 4.687 . 1 813 69 ILE HB H 1.962 . 1 814 69 ILE HG12 H 1.476 . 2 815 69 ILE HG13 H 1.375 . 2 816 69 ILE HG2 H 0.771 . 1 817 69 ILE HD1 H 0.746 . 1 818 69 ILE C C 175.067 . 1 819 69 ILE CA C 59.650 . 1 820 69 ILE CB C 36.810 . 1 821 69 ILE CG1 C 27.030 . 1 822 69 ILE CG2 C 17.237 . 1 823 69 ILE CD1 C 10.646 . 1 824 69 ILE N N 120.662 . 1 825 70 ALA H H 9.433 . 1 826 70 ALA HA H 5.368 . 1 827 70 ALA HB H 1.076 . 1 828 70 ALA C C 174.999 . 1 829 70 ALA CA C 50.109 . 1 830 70 ALA CB C 22.381 . 1 831 70 ALA N N 129.320 . 1 832 71 GLU H H 8.997 . 1 833 71 GLU HA H 5.076 . 1 834 71 GLU HB2 H 1.935 . 2 835 71 GLU HB3 H 1.806 . 2 836 71 GLU HG2 H 2.043 . 2 837 71 GLU HG3 H 1.902 . 2 838 71 GLU C C 176.067 . 1 839 71 GLU CA C 55.278 . 1 840 71 GLU CB C 31.130 . 1 841 71 GLU CG C 37.021 . 1 842 71 GLU N N 122.821 . 1 843 72 VAL H H 9.012 . 1 844 72 VAL HA H 4.681 . 1 845 72 VAL HB H 1.910 . 1 846 72 VAL HG1 H 0.789 . 2 847 72 VAL HG2 H 0.773 . 2 848 72 VAL C C 173.882 . 1 849 72 VAL CA C 61.146 . 1 850 72 VAL CB C 34.700 . 1 851 72 VAL CG1 C 23.099 . 2 852 72 VAL CG2 C 20.897 . 2 853 72 VAL N N 127.424 . 1 854 73 SER H H 8.887 . 1 855 73 SER HA H 5.937 . 1 856 73 SER HB2 H 3.891 . 2 857 73 SER HB3 H 3.692 . 2 858 73 SER C C 174.400 . 1 859 73 SER CA C 55.945 . 1 860 73 SER CB C 65.366 . 1 861 73 SER N N 120.976 . 1 862 74 GLY H H 8.809 . 1 863 74 GLY HA2 H 4.609 . 2 864 74 GLY HA3 H 4.337 . 2 865 74 GLY C C 169.953 . 1 866 74 GLY CA C 46.653 . 1 867 74 GLY N N 112.020 . 1 868 75 TYR H H 8.069 . 1 869 75 TYR HA H 5.088 . 1 870 75 TYR HB2 H 3.062 . 2 871 75 TYR HB3 H 2.931 . 2 872 75 TYR HD1 H 7.009 . 3 873 75 TYR HD2 H 7.009 . 3 874 75 TYR HE1 H 6.762 . 3 875 75 TYR HE2 H 6.762 . 3 876 75 TYR C C 174.928 . 1 877 75 TYR CA C 56.788 . 1 878 75 TYR CB C 41.534 . 1 879 75 TYR CD1 C 133.337 . 3 880 75 TYR CD2 C 133.337 . 3 881 75 TYR CE1 C 118.018 . 3 882 75 TYR CE2 C 118.018 . 3 883 75 TYR N N 119.656 . 1 884 76 VAL H H 8.558 . 1 885 76 VAL HA H 4.535 . 1 886 76 VAL HB H 2.185 . 1 887 76 VAL HG1 H 0.580 . 2 888 76 VAL HG2 H 0.759 . 2 889 76 VAL C C 174.788 . 1 890 76 VAL CA C 62.060 . 1 891 76 VAL CB C 31.587 . 1 892 76 VAL CG1 C 23.686 . 2 893 76 VAL CG2 C 22.959 . 2 894 76 VAL N N 128.209 . 1 895 77 LYS H H 9.098 . 1 896 77 LYS HA H 4.732 . 1 897 77 LYS HB2 H 1.851 . 2 898 77 LYS HB3 H 1.777 . 2 899 77 LYS HG2 H 1.511 . 2 900 77 LYS HG3 H 1.342 . 2 901 77 LYS HD2 H 1.742 . 2 902 77 LYS HD3 H 1.742 . 2 903 77 LYS HE2 H 2.975 . 2 904 77 LYS HE3 H 2.975 . 2 905 77 LYS C C 174.668 . 1 906 77 LYS CA C 53.979 . 1 907 77 LYS CB C 36.130 . 1 908 77 LYS CG C 24.243 . 1 909 77 LYS CD C 29.269 . 1 910 77 LYS CE C 42.172 . 1 911 77 LYS N N 125.377 . 1 912 78 GLN H H 8.833 . 1 913 78 GLN HA H 4.307 . 1 914 78 GLN HB2 H 2.074 . 2 915 78 GLN HB3 H 1.854 . 2 916 78 GLN HG2 H 2.335 . 2 917 78 GLN HG3 H 2.240 . 2 918 78 GLN HE21 H 7.559 . 1 919 78 GLN HE22 H 6.799 . 1 920 78 GLN C C 175.747 . 1 921 78 GLN CA C 56.109 . 1 922 78 GLN CB C 29.190 . 1 923 78 GLN CG C 33.511 . 1 924 78 GLN CD C 179.673 . 1 925 78 GLN N N 120.665 . 1 926 78 GLN NE2 N 111.825 . 1 927 79 GLY H H 8.136 . 1 928 79 GLY HA2 H 4.526 . 2 929 79 GLY HA3 H 3.862 . 2 930 79 GLY C C 174.500 . 1 931 79 GLY CA C 44.045 . 1 932 79 GLY N N 116.268 . 1 933 80 TYR H H 8.725 . 1 934 80 TYR HA H 4.310 . 1 935 80 TYR HB2 H 3.071 . 2 936 80 TYR HB3 H 3.035 . 2 937 80 TYR HD1 H 7.164 . 3 938 80 TYR HD2 H 7.164 . 3 939 80 TYR HE1 H 6.834 . 3 940 80 TYR HE2 H 6.834 . 3 941 80 TYR C C 177.335 . 1 942 80 TYR CA C 60.703 . 1 943 80 TYR CB C 38.140 . 1 944 80 TYR CD1 C 133.142 . 3 945 80 TYR CD2 C 133.142 . 3 946 80 TYR CE1 C 118.288 . 3 947 80 TYR CE2 C 118.288 . 3 948 80 TYR N N 120.862 . 1 949 81 SER H H 8.488 . 1 950 81 SER HA H 4.550 . 1 951 81 SER HB2 H 3.771 . 2 952 81 SER HB3 H 3.771 . 2 953 81 SER C C 173.695 . 1 954 81 SER CA C 57.288 . 1 955 81 SER CB C 63.680 . 1 956 81 SER N N 112.931 . 1 957 82 GLY H H 7.466 . 1 958 82 GLY HA2 H 4.416 . 2 959 82 GLY HA3 H 3.843 . 2 960 82 GLY C C 173.660 . 1 961 82 GLY CA C 44.078 . 1 962 82 GLY N N 109.262 . 1 963 83 LEU H H 8.687 . 1 964 83 LEU HA H 4.641 . 1 965 83 LEU HB2 H 1.752 . 2 966 83 LEU HB3 H 1.146 . 2 967 83 LEU HG H 1.688 . 1 968 83 LEU HD1 H 0.652 . 2 969 83 LEU HD2 H 0.611 . 2 970 83 LEU C C 176.476 . 1 971 83 LEU CA C 55.344 . 1 972 83 LEU CB C 42.773 . 1 973 83 LEU CG C 26.613 . 1 974 83 LEU CD1 C 25.333 . 2 975 83 LEU CD2 C 22.938 . 2 976 83 LEU N N 121.184 . 1 977 84 GLU H H 8.803 . 1 978 84 GLU HA H 5.086 . 1 979 84 GLU HB2 H 1.903 . 2 980 84 GLU HB3 H 1.741 . 2 981 84 GLU HG2 H 2.041 . 2 982 84 GLU HG3 H 1.983 . 2 983 84 GLU C C 174.397 . 1 984 84 GLU CA C 54.322 . 1 985 84 GLU CB C 33.894 . 1 986 84 GLU CG C 36.038 . 1 987 84 GLU N N 118.732 . 1 988 85 ILE H H 9.042 . 1 989 85 ILE HA H 4.921 . 1 990 85 ILE HB H 1.396 . 1 991 85 ILE HG12 H 1.368 . 2 992 85 ILE HG13 H 0.567 . 2 993 85 ILE HG2 H 0.723 . 1 994 85 ILE HD1 H 0.563 . 1 995 85 ILE C C 174.364 . 1 996 85 ILE CA C 59.082 . 1 997 85 ILE CB C 41.988 . 1 998 85 ILE CG1 C 28.708 . 1 999 85 ILE CG2 C 15.639 . 1 1000 85 ILE CD1 C 13.482 . 1 1001 85 ILE N N 120.723 . 1 1002 86 SER H H 9.290 . 1 1003 86 SER HA H 4.872 . 1 1004 86 SER HB2 H 4.172 . 2 1005 86 SER HB3 H 3.913 . 2 1006 86 SER C C 175.147 . 1 1007 86 SER CA C 57.421 . 1 1008 86 SER CB C 62.971 . 1 1009 86 SER N N 126.066 . 1 1010 87 VAL H H 8.553 . 1 1011 87 VAL HA H 3.786 . 1 1012 87 VAL HB H 2.157 . 1 1013 87 VAL HG1 H 0.841 . 2 1014 87 VAL HG2 H 0.721 . 2 1015 87 VAL C C 175.294 . 1 1016 87 VAL CA C 65.296 . 1 1017 87 VAL CB C 32.493 . 1 1018 87 VAL CG1 C 22.632 . 2 1019 87 VAL CG2 C 22.299 . 2 1020 87 VAL N N 129.298 . 1 1021 88 ASP H H 9.780 . 1 1022 88 ASP HA H 4.950 . 1 1023 88 ASP HB2 H 2.656 . 2 1024 88 ASP HB3 H 2.656 . 2 1025 88 ASP C C 175.959 . 1 1026 88 ASP CA C 55.067 . 1 1027 88 ASP CB C 43.020 . 1 1028 88 ASP N N 127.212 . 1 1029 89 ASN H H 7.860 . 1 1030 89 ASN HA H 4.770 . 1 1031 89 ASN HB2 H 2.647 . 2 1032 89 ASN HB3 H 2.595 . 2 1033 89 ASN HD21 H 7.634 . 1 1034 89 ASN HD22 H 6.844 . 1 1035 89 ASN C C 171.529 . 1 1036 89 ASN CA C 53.480 . 1 1037 89 ASN CB C 42.212 . 1 1038 89 ASN CG C 176.738 . 1 1039 89 ASN N N 116.698 . 1 1040 89 ASN ND2 N 113.449 . 1 1041 90 ILE H H 8.127 . 1 1042 90 ILE HA H 5.236 . 1 1043 90 ILE HB H 1.397 . 1 1044 90 ILE HG12 H 1.446 . 2 1045 90 ILE HG13 H 0.569 . 2 1046 90 ILE HG2 H -0.097 . 1 1047 90 ILE HD1 H 0.565 . 1 1048 90 ILE C C 171.546 . 1 1049 90 ILE CA C 58.599 . 1 1050 90 ILE CB C 41.019 . 1 1051 90 ILE CG1 C 28.550 . 1 1052 90 ILE CG2 C 12.581 . 1 1053 90 ILE CD1 C 14.375 . 1 1054 90 ILE N N 121.454 . 1 1055 91 GLY H H 8.357 . 1 1056 91 GLY HA2 H 4.518 . 2 1057 91 GLY HA3 H 3.805 . 2 1058 91 GLY C C 171.989 . 1 1059 91 GLY CA C 44.328 . 1 1060 91 GLY N N 112.280 . 1 1061 92 ILE H H 9.023 . 1 1062 92 ILE HA H 4.595 . 1 1063 92 ILE HB H 2.076 . 1 1064 92 ILE HG12 H 1.695 . 2 1065 92 ILE HG13 H 1.652 . 2 1066 92 ILE HG2 H 0.916 . 1 1067 92 ILE HD1 H 0.957 . 1 1068 92 ILE C C 176.634 . 1 1069 92 ILE CA C 59.505 . 1 1070 92 ILE CB C 36.938 . 1 1071 92 ILE CG1 C 27.365 . 1 1072 92 ILE CG2 C 17.806 . 1 1073 92 ILE CD1 C 10.753 . 1 1074 92 ILE N N 122.874 . 1 1075 93 ILE H H 9.047 . 1 1076 93 ILE HA H 4.181 . 1 1077 93 ILE HB H 1.690 . 1 1078 93 ILE HG12 H 1.394 . 2 1079 93 ILE HG13 H 1.095 . 2 1080 93 ILE HG2 H 0.869 . 1 1081 93 ILE HD1 H 0.730 . 1 1082 93 ILE C C 175.930 . 1 1083 93 ILE CA C 61.196 . 1 1084 93 ILE CB C 38.474 . 1 1085 93 ILE CG1 C 27.237 . 1 1086 93 ILE CG2 C 17.384 . 1 1087 93 ILE CD1 C 12.223 . 1 1088 93 ILE N N 129.183 . 1 1089 94 GLU H H 8.137 . 1 1090 94 GLU HA H 4.422 . 1 1091 94 GLU HB2 H 1.988 . 2 1092 94 GLU HB3 H 1.911 . 2 1093 94 GLU HG2 H 2.234 . 2 1094 94 GLU HG3 H 2.237 . 2 1095 94 GLU C C 175.557 . 1 1096 94 GLU CA C 56.065 . 1 1097 94 GLU CB C 31.725 . 1 1098 94 GLU CG C 36.222 . 1 1099 94 GLU N N 122.628 . 1 1100 95 LYS H H 8.632 . 1 1101 95 LYS HA H 4.344 . 1 1102 95 LYS HB2 H 1.818 . 2 1103 95 LYS HB3 H 1.706 . 2 1104 95 LYS HG2 H 1.461 . 2 1105 95 LYS HG3 H 1.370 . 2 1106 95 LYS HD2 H 1.656 . 2 1107 95 LYS HD3 H 1.656 . 2 1108 95 LYS HE2 H 2.974 . 2 1109 95 LYS HE3 H 2.975 . 2 1110 95 LYS C C 176.990 . 1 1111 95 LYS CA C 56.276 . 1 1112 95 LYS CB C 33.345 . 1 1113 95 LYS CG C 25.061 . 1 1114 95 LYS CD C 29.199 . 1 1115 95 LYS CE C 42.046 . 1 1116 95 LYS N N 124.835 . 1 1117 96 SER H H 8.896 . 1 1118 96 SER HA H 4.311 . 1 1119 96 SER HB2 H 3.930 . 2 1120 96 SER HB3 H 3.806 . 2 1121 96 SER C C 175.425 . 1 1122 96 SER CA C 58.696 . 1 1123 96 SER CB C 63.785 . 1 1124 96 SER N N 117.785 . 1 1125 97 LEU H H 8.433 . 1 1126 97 LEU HA H 4.286 . 1 1127 97 LEU HB2 H 1.621 . 2 1128 97 LEU HB3 H 1.549 . 2 1129 97 LEU HG H 1.627 . 1 1130 97 LEU HD1 H 0.901 . 2 1131 97 LEU HD2 H 0.842 . 2 1132 97 LEU C C 177.584 . 1 1133 97 LEU CA C 55.657 . 1 1134 97 LEU CB C 42.137 . 1 1135 97 LEU CG C 26.956 . 1 1136 97 LEU CD1 C 25.023 . 2 1137 97 LEU CD2 C 23.451 . 2 1138 97 LEU N N 123.920 . 1 1139 98 GLU H H 8.183 . 1 1140 98 GLU HA H 4.133 . 1 1141 98 GLU HB2 H 1.894 . 2 1142 98 GLU HB3 H 1.857 . 2 1143 98 GLU HG2 H 2.200 . 2 1144 98 GLU HG3 H 2.123 . 2 1145 98 GLU C C 176.501 . 1 1146 98 GLU CA C 56.919 . 1 1147 98 GLU CB C 30.093 . 1 1148 98 GLU CG C 36.171 . 1 1149 98 GLU N N 120.326 . 1 cwd: /data/PSVS/PSVS-v1.4-dev/results/MRR110B_NMR_em_bcr3 command to execute is: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign -c /data/PSVS/PSVS-v1.4-dev/results/MRR110B_NMR_em_bcr3/rpf_calc/input/ctrl_file -o rpf_calc -q MRR110B_NMR_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: MRR110B_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: MRR110B_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: MRR110B_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: MRR110B_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: MRR110B_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: MRR110B_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: MRR110B_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: MRR110B_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: MRR110B_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: MRR110B_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: MRR110B_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: MRR110B_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: MRR110B_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: MRR110B_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: MRR110B_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: MRR110B_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: MRR110B_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: MRR110B_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: MRR110B_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: MRR110B_NMR_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 ...