AS object created. control filepath is: /data/PSVS/PSVS-v1.4-dev/results/ZR18_R3_em_bcr3/rpf_calc/input/ctrl_file bmrb: chem_shift.bmrb sequence: ZR18_R3_em_bcr3_seq.bmrb parsing bmrb: /data/PSVS/PSVS-v1.4-dev/results/ZR18_R3_em_bcr3/rpf_calc/input/chem_shift.bmrb new residue 1 adding: *1* *1* *Met* *HA* *H* *3.823* *.* *1* old residue 1 adding: *2* *1* *Met* *HB2* *H* *1.956* *.* *2* old residue 1 adding: *3* *1* *Met* *HB3* *H* *1.976* *.* *2* old residue 1 adding: *4* *1* *Met* *HG2* *H* *2.151* *.* *2* old residue 1 adding: *5* *1* *Met* *HG3* *H* *2.036* *.* *2* old residue 1 adding: *6* *1* *Met* *C* *C* *170.978* *.* *1* old residue 1 adding: *7* *1* *Met* *CA* *C* *55.193* *.* *1* old residue 1 adding: *8* *1* *Met* *CB* *C* *34.019* *.* *1* old residue 1 adding: *9* *1* *Met* *CG* *C* *31.136* *.* *1* new residue 2 adding: *10* *2* *Lys* *H* *H* *8.560* *.* *1* old residue 2 adding: *11* *2* *Lys* *HA* *H* *4.620* *.* *1* old residue 2 adding: *12* *2* *Lys* *HB2* *H* *1.494* *.* *2* old residue 2 adding: *13* *2* *Lys* *HB3* *H* *1.329* *.* *2* old residue 2 adding: *14* *2* *Lys* *HG2* *H* *1.384* *.* *2* old residue 2 adding: *15* *2* *Lys* *HG3* *H* *1.223* *.* *2* old residue 2 adding: *16* *2* *Lys* *HD2* *H* *1.604* *.* *2* old residue 2 adding: *17* *2* *Lys* *HD3* *H* *1.651* *.* *2* old residue 2 adding: *18* *2* *Lys* *HE2* *H* *2.909* *.* *2* old residue 2 adding: *19* *2* *Lys* *C* *C* *174.608* *.* *1* old residue 2 adding: *20* *2* *Lys* *CA* *C* *54.206* *.* *1* old residue 2 adding: *21* *2* *Lys* *CB* *C* *35.916* *.* *1* old residue 2 adding: *22* *2* *Lys* *CG* *C* *24.011* *.* *1* old residue 2 adding: *23* *2* *Lys* *CD* *C* *29.373* *.* *1* old residue 2 adding: *24* *2* *Lys* *CE* *C* *42.086* *.* *1* old residue 2 adding: *25* *2* *Lys* *N* *N* *122.783* *.* *1* new residue 3 adding: *26* *3* *Ile* *H* *H* *8.373* *.* *1* old residue 3 adding: *27* *3* *Ile* *HA* *H* *3.659* *.* *1* old residue 3 adding: *28* *3* *Ile* *HB* *H* *1.486* *.* *1* old residue 3 adding: *29* *3* *Ile* *HG12* *H* *0.781* *.* *2* old residue 3 adding: *30* *3* *Ile* *HG13* *H* *0.060* *.* *2* old residue 3 adding: *31* *3* *Ile* *HG2* *H* *0.595* *.* *1* old residue 3 adding: *32* *3* *Ile* *HD1* *H* *0.775* *.* *1* old residue 3 adding: *33* *3* *Ile* *C* *C* *176.569* *.* *1* old residue 3 adding: *34* *3* *Ile* *CA* *C* *62.565* *.* *1* old residue 3 adding: *35* *3* *Ile* *CB* *C* *38.792* *.* *1* old residue 3 adding: *36* *3* *Ile* *CG1* *C* *27.255* *.* *1* old residue 3 adding: *37* *3* *Ile* *CG2* *C* *17.200* *.* *1* old residue 3 adding: *38* *3* *Ile* *CD1* *C* *14.332* *.* *1* old residue 3 adding: *39* *3* *Ile* *N* *N* *120.076* *.* *1* new residue 4 adding: *40* *4* *Ile* *H* *H* *9.159* *.* *1* old residue 4 adding: *41* *4* *Ile* *HA* *H* *4.135* *.* *1* old residue 4 adding: *42* *4* *Ile* *HB* *H* *1.613* *.* *1* old residue 4 adding: *43* *4* *Ile* *HG12* *H* *1.164* *.* *2* old residue 4 adding: *44* *4* *Ile* *HG13* *H* *1.025* *.* *2* old residue 4 adding: *45* *4* *Ile* *HG2* *H* *0.802* *.* *1* old residue 4 adding: *46* *4* *Ile* *HD1* *H* *0.640* *.* *1* old residue 4 adding: *47* *4* *Ile* *C* *C* *176.194* *.* *1* old residue 4 adding: *48* *4* *Ile* *CA* *C* *60.586* *.* *1* old residue 4 adding: *49* *4* *Ile* *CB* *C* *37.466* *.* *1* old residue 4 adding: *50* *4* *Ile* *CG1* *C* *26.368* *.* *1* old residue 4 adding: *51* *4* *Ile* *CG2* *C* *16.570* *.* *1* old residue 4 adding: *52* *4* *Ile* *CD1* *C* *10.304* *.* *1* old residue 4 adding: *53* *4* *Ile* *N* *N* *127.239* *.* *1* new residue 5 adding: *54* *5* *Ser* *H* *H* *7.482* *.* *1* old residue 5 adding: *55* *5* *Ser* *HA* *H* *4.545* *.* *1* old residue 5 adding: *56* *5* *Ser* *HB2* *H* *3.784* *.* *2* old residue 5 adding: *57* *5* *Ser* *HB3* *H* *3.784* *.* *2* old residue 5 adding: *58* *5* *Ser* *C* *C* *171.580* *.* *1* old residue 5 adding: *59* *5* *Ser* *CA* *C* *57.655* *.* *1* old residue 5 adding: *60* *5* *Ser* *CB* *C* *65.178* *.* *1* old residue 5 adding: *61* *5* *Ser* *N* *N* *112.465* *.* *1* new residue 6 adding: *62* *6* *Ile* *H* *H* *8.402* *.* *1* old residue 6 adding: *63* *6* *Ile* *HA* *H* *4.683* *.* *1* old residue 6 adding: *64* *6* *Ile* *HB* *H* *1.604* *.* *1* old residue 6 adding: *65* *6* *Ile* *HG12* *H* *1.557* *.* *2* old residue 6 adding: *66* *6* *Ile* *HG13* *H* *0.890* *.* *2* old residue 6 adding: *67* *6* *Ile* *HG2* *H* *0.702* *.* *1* old residue 6 adding: *68* *6* *Ile* *HD1* *H* *0.829* *.* *1* old residue 6 adding: *69* *6* *Ile* *C* *C* *175.289* *.* *1* old residue 6 adding: *70* *6* *Ile* *CA* *C* *61.373* *.* *1* old residue 6 adding: *71* *6* *Ile* *CB* *C* *40.612* *.* *1* old residue 6 adding: *72* *6* *Ile* *CG1* *C* *28.113* *.* *1* old residue 6 adding: *73* *6* *Ile* *CG2* *C* *17.923* *.* *1* old residue 6 adding: *74* *6* *Ile* *CD1* *C* *13.730* *.* *1* old residue 6 adding: *75* *6* *Ile* *N* *N* *122.071* *.* *1* new residue 7 adding: *76* *7* *Ser* *H* *H* *9.201* *.* *1* old residue 7 adding: *77* *7* *Ser* *HA* *H* *4.814* *.* *1* old residue 7 adding: *78* *7* *Ser* *HB2* *H* *3.622* *.* *2* old residue 7 adding: *79* *7* *Ser* *HB3* *H* *3.744* *.* *2* old residue 7 adding: *80* *7* *Ser* *C* *C* *172.681* *.* *1* old residue 7 adding: *81* *7* *Ser* *CA* *C* *56.896* *.* *1* old residue 7 adding: *82* *7* *Ser* *CB* *C* *66.053* *.* *1* old residue 7 adding: *83* *7* *Ser* *N* *N* *121.348* *.* *1* new residue 8 adding: *84* *8* *Glu* *H* *H* *8.542* *.* *1* old residue 8 adding: *85* *8* *Glu* *HA* *H* *4.669* *.* *1* old residue 8 adding: *86* *8* *Glu* *HB2* *H* *2.113* *.* *2* old residue 8 adding: *87* *8* *Glu* *HB3* *H* *1.938* *.* *2* old residue 8 adding: *88* *8* *Glu* *HG2* *H* *2.241* *.* *2* old residue 8 adding: *89* *8* *Glu* *HG3* *H* *2.241* *.* *2* old residue 8 adding: *90* *8* *Glu* *C* *C* *176.388* *.* *1* old residue 8 adding: *91* *8* *Glu* *CA* *C* *56.702* *.* *1* old residue 8 adding: *92* *8* *Glu* *CB* *C* *30.736* *.* *1* old residue 8 adding: *93* *8* *Glu* *CG* *C* *36.787* *.* *1* old residue 8 adding: *94* *8* *Glu* *N* *N* *123.371* *.* *1* new residue 9 adding: *95* *9* *Thr* *H* *H* *8.663* *.* *1* old residue 9 adding: *96* *9* *Thr* *HA* *H* *4.958* *.* *1* old residue 9 adding: *97* *9* *Thr* *HB* *H* *4.516* *.* *1* old residue 9 adding: *98* *9* *Thr* *HG2* *H* *1.108* *.* *1* old residue 9 adding: *99* *9* *Thr* *CA* *C* *60.316* *.* *1* old residue 9 adding: *100* *9* *Thr* *CB* *C* *69.478* *.* *1* old residue 9 adding: *101* *9* *Thr* *CG2* *C* *21.130* *.* *1* old residue 9 adding: *102* *9* *Thr* *N* *N* *112.855* *.* *1* new residue 10 adding: *103* *10* *Pro* *HA* *H* *4.376* *.* *1* old residue 10 adding: *104* *10* *Pro* *HB2* *H* *2.465* *.* *2* old residue 10 adding: *105* *10* *Pro* *HB3* *H* *1.842* *.* *2* old residue 10 adding: *106* *10* *Pro* *HG2* *H* *2.072* *.* *2* old residue 10 adding: *107* *10* *Pro* *HG3* *H* *1.915* *.* *2* old residue 10 adding: *108* *10* *Pro* *HD2* *H* *3.839* *.* *2* old residue 10 adding: *109* *10* *Pro* *HD3* *H* *3.643* *.* *2* old residue 10 adding: *110* *10* *Pro* *C* *C* *176.126* *.* *1* old residue 10 adding: *111* *10* *Pro* *CA* *C* *64.454* *.* *1* old residue 10 adding: *112* *10* *Pro* *CB* *C* *32.008* *.* *1* old residue 10 adding: *113* *10* *Pro* *CG* *C* *27.971* *.* *1* old residue 10 adding: *114* *10* *Pro* *CD* *C* *51.341* *.* *1* new residue 11 adding: *115* *11* *Asn* *H* *H* *7.621* *.* *1* old residue 11 adding: *116* *11* *Asn* *HA* *H* *4.933* *.* *1* old residue 11 adding: *117* *11* *Asn* *HB2* *H* *2.860* *.* *2* old residue 11 adding: *118* *11* *Asn* *HB3* *H* *2.663* *.* *2* old residue 11 adding: *119* *11* *Asn* *HD21* *H* *7.634* *.* *1* old residue 11 adding: *120* *11* *Asn* *HD22* *H* *6.983* *.* *1* old residue 11 adding: *121* *11* *Asn* *CA* *C* *51.559* *.* *1* old residue 11 adding: *122* *11* *Asn* *CB* *C* *39.809* *.* *1* old residue 11 adding: *123* *11* *Asn* *N* *N* *114.720* *.* *1* old residue 11 adding: *124* *11* *Asn* *ND2* *N* *113.599* *.* *1* new residue 12 adding: *125* *12* *His* *HA* *H* *4.702* *.* *1* old residue 12 adding: *126* *12* *His* *HB2* *H* *3.491* *.* *2* old residue 12 adding: *127* *12* *His* *HB3* *H* *3.409* *.* *2* old residue 12 adding: *1271* *12* *His* *HD2* *H* *7.311* *.* *1* old residue 12 adding: *128* *12* *His* *C* *C* *175.663* *.* *1* old residue 12 adding: *129* *12* *His* *CA* *C* *58.463* *.* *1* old residue 12 adding: *130* *12* *His* *CB* *C* *28.533* *.* *1* old residue 12 adding: *1301* *12* *His* *CD2* *C* *120.513* *.* *1* new residue 13 adding: *131* *13* *Asn* *H* *H* *8.511* *.* *1* old residue 13 adding: *132* *13* *Asn* *HA* *H* *5.018* *.* *1* old residue 13 adding: *133* *13* *Asn* *HB2* *H* *2.723* *.* *2* old residue 13 adding: *134* *13* *Asn* *HB3* *H* *3.330* *.* *2* old residue 13 adding: *135* *13* *Asn* *HD21* *H* *7.375* *.* *1* old residue 13 adding: *136* *13* *Asn* *HD22* *H* *7.222* *.* *1* old residue 13 adding: *137* *13* *Asn* *C* *C* *174.367* *.* *1* old residue 13 adding: *138* *13* *Asn* *CA* *C* *53.890* *.* *1* old residue 13 adding: *139* *13* *Asn* *CB* *C* *38.854* *.* *1* old residue 13 adding: *140* *13* *Asn* *N* *N* *115.359* *.* *1* old residue 13 adding: *141* *13* *Asn* *ND2* *N* *113.227* *.* *1* new residue 14 adding: *142* *14* *Thr* *H* *H* *8.234* *.* *1* old residue 14 adding: *143* *14* *Thr* *HA* *H* *5.980* *.* *1* old residue 14 adding: *144* *14* *Thr* *HB* *H* *3.824* *.* *1* old residue 14 adding: *145* *14* *Thr* *HG2* *H* *1.213* *.* *1* old residue 14 adding: *146* *14* *Thr* *C* *C* *174.278* *.* *1* old residue 14 adding: *147* *14* *Thr* *CA* *C* *62.729* *.* *1* old residue 14 adding: *148* *14* *Thr* *CB* *C* *71.595* *.* *1* old residue 14 adding: *149* *14* *Thr* *CG2* *C* *22.584* *.* *1* old residue 14 adding: *150* *14* *Thr* *N* *N* *117.676* *.* *1* new residue 15 adding: *151* *15* *Met* *H* *H* *8.994* *.* *1* old residue 15 adding: *152* *15* *Met* *HA* *H* *4.868* *.* *1* old residue 15 adding: *153* *15* *Met* *HB2* *H* *1.282* *.* *2* old residue 15 adding: *154* *15* *Met* *HB3* *H* *0.912* *.* *2* old residue 15 adding: *155* *15* *Met* *HG2* *H* *1.282* *.* *2* old residue 15 adding: *156* *15* *Met* *HG3* *H* *1.252* *.* *2* old residue 15 adding: *1561* *15* *Met* *HE* *H* *1.149* *.* *1* old residue 15 adding: *157* *15* *Met* *C* *C* *173.748* *.* *1* old residue 15 adding: *158* *15* *Met* *CA* *C* *53.076* *.* *1* old residue 15 adding: *159* *15* *Met* *CB* *C* *34.692* *.* *1* old residue 15 adding: *160* *15* *Met* *CG* *C* *31.698* *.* *1* old residue 15 adding: *1601* *15* *Met* *CE* *C* *15.886* *.* *1* old residue 15 adding: *161* *15* *Met* *N* *N* *127.785* *.* *1* new residue 16 adding: *162* *16* *Lys* *H* *H* *8.740* *.* *1* old residue 16 adding: *163* *16* *Lys* *HA* *H* *5.017* *.* *1* old residue 16 adding: *164* *16* *Lys* *HB2* *H* *1.347* *.* *2* old residue 16 adding: *165* *16* *Lys* *HB3* *H* *1.672* *.* *2* old residue 16 adding: *166* *16* *Lys* *HG2* *H* *1.058* *.* *2* old residue 16 adding: *167* *16* *Lys* *HG3* *H* *0.877* *.* *2* old residue 16 adding: *168* *16* *Lys* *HD2* *H* *1.087* *.* *2* old residue 16 adding: *169* *16* *Lys* *HD3* *H* *1.087* *.* *2* old residue 16 adding: *170* *16* *Lys* *HE2* *H* *2.033* *.* *2* old residue 16 adding: *171* *16* *Lys* *HE3* *H* *1.431* *.* *2* old residue 16 adding: *172* *16* *Lys* *C* *C* *175.183* *.* *1* old residue 16 adding: *173* *16* *Lys* *CA* *C* *55.840* *.* *1* old residue 16 adding: *174* *16* *Lys* *CB* *C* *34.524* *.* *1* old residue 16 adding: *175* *16* *Lys* *CG* *C* *25.371* *.* *1* old residue 16 adding: *176* *16* *Lys* *CD* *C* *29.625* *.* *1* old residue 16 adding: *177* *16* *Lys* *CE* *C* *41.036* *.* *1* old residue 16 adding: *178* *16* *Lys* *N* *N* *125.158* *.* *1* new residue 17 adding: *179* *17* *Ile* *H* *H* *9.821* *.* *1* old residue 17 adding: *180* *17* *Ile* *HA* *H* *4.738* *.* *1* old residue 17 adding: *181* *17* *Ile* *HB* *H* *2.089* *.* *1* old residue 17 adding: *182* *17* *Ile* *HG12* *H* *0.993* *.* *2* old residue 17 adding: *183* *17* *Ile* *HG13* *H* *1.552* *.* *2* old residue 17 adding: *184* *17* *Ile* *HG2* *H* *0.706* *.* *1* old residue 17 adding: *185* *17* *Ile* *HD1* *H* *0.796* *.* *1* old residue 17 adding: *186* *17* *Ile* *C* *C* *175.153* *.* *1* old residue 17 adding: *187* *17* *Ile* *CA* *C* *60.903* *.* *1* old residue 17 adding: *188* *17* *Ile* *CB* *C* *39.202* *.* *1* old residue 17 adding: *189* *17* *Ile* *CG1* *C* *27.425* *.* *1* old residue 17 adding: *190* *17* *Ile* *CG2* *C* *18.505* *.* *1* old residue 17 adding: *191* *17* *Ile* *CD1* *C* *13.630* *.* *1* old residue 17 adding: *192* *17* *Ile* *N* *N* *131.726* *.* *1* new residue 18 adding: *193* *18* *Thr* *H* *H* *9.005* *.* *1* old residue 18 adding: *194* *18* *Thr* *HA* *H* *4.707* *.* *1* old residue 18 adding: *195* *18* *Thr* *HB* *H* *4.056* *.* *1* old residue 18 adding: *196* *18* *Thr* *HG2* *H* *1.303* *.* *1* old residue 18 adding: *197* *18* *Thr* *C* *C* *174.158* *.* *1* old residue 18 adding: *198* *18* *Thr* *CA* *C* *63.777* *.* *1* old residue 18 adding: *199* *18* *Thr* *CB* *C* *68.945* *.* *1* old residue 18 adding: *200* *18* *Thr* *CG2* *C* *21.426* *.* *1* old residue 18 adding: *201* *18* *Thr* *N* *N* *124.752* *.* *1* new residue 19 adding: *202* *19* *Leu* *H* *H* *9.640* *.* *1* old residue 19 adding: *203* *19* *Leu* *HA* *H* *5.008* *.* *1* old residue 19 adding: *204* *19* *Leu* *HB2* *H* *1.870* *.* *2* old residue 19 adding: *205* *19* *Leu* *HB3* *H* *1.622* *.* *2* old residue 19 adding: *206* *19* *Leu* *HG* *H* *1.816* *.* *1* old residue 19 adding: *207* *19* *Leu* *HD1* *H* *0.871* *.* *1* old residue 19 adding: *208* *19* *Leu* *HD2* *H* *0.339* *.* *1* old residue 19 adding: *209* *19* *Leu* *C* *C* *177.145* *.* *1* old residue 19 adding: *210* *19* *Leu* *CA* *C* *53.302* *.* *1* old residue 19 adding: *211* *19* *Leu* *CB* *C* *45.236* *.* *1* old residue 19 adding: *212* *19* *Leu* *CG* *C* *27.274* *.* *1* old residue 19 adding: *213* *19* *Leu* *CD1* *C* *25.636* *.* *1* old residue 19 adding: *214* *19* *Leu* *CD2* *C* *23.644* *.* *1* old residue 19 adding: *215* *19* *Leu* *N* *N* *128.781* *.* *1* new residue 20 adding: *216* *20* *Ser* *H* *H* *8.121* *.* *1* old residue 20 adding: *217* *20* *Ser* *HA* *H* *4.033* *.* *1* old residue 20 adding: *218* *20* *Ser* *HB2* *H* *4.268* *.* *2* old residue 20 adding: *219* *20* *Ser* *HB3* *H* *3.584* *.* *2* old residue 20 adding: *220* *20* *Ser* *C* *C* *173.483* *.* *1* old residue 20 adding: *221* *20* *Ser* *CA* *C* *59.557* *.* *1* old residue 20 adding: *222* *20* *Ser* *CB* *C* *63.159* *.* *1* old residue 20 adding: *223* *20* *Ser* *N* *N* *110.268* *.* *1* new residue 21 adding: *224* *21* *Glu* *H* *H* *6.961* *.* *1* old residue 21 adding: *225* *21* *Glu* *HA* *H* *4.734* *.* *1* old residue 21 adding: *226* *21* *Glu* *HB2* *H* *1.735* *.* *2* old residue 21 adding: *227* *21* *Glu* *HB3* *H* *2.082* *.* *2* old residue 21 adding: *228* *21* *Glu* *HG2* *H* *2.227* *.* *2* old residue 21 adding: *229* *21* *Glu* *HG3* *H* *2.265* *.* *2* old residue 21 adding: *230* *21* *Glu* *C* *C* *174.805* *.* *1* old residue 21 adding: *231* *21* *Glu* *CA* *C* *54.655* *.* *1* old residue 21 adding: *232* *21* *Glu* *CB* *C* *33.366* *.* *1* old residue 21 adding: *233* *21* *Glu* *CG* *C* *36.076* *.* *1* old residue 21 adding: *234* *21* *Glu* *N* *N* *118.393* *.* *1* new residue 22 adding: *235* *22* *Ser* *H* *H* *8.623* *.* *1* old residue 22 adding: *236* *22* *Ser* *HA* *H* *4.670* *.* *1* old residue 22 adding: *237* *22* *Ser* *HB2* *H* *3.678* *.* *2* old residue 22 adding: *238* *22* *Ser* *HB3* *H* *3.679* *.* *2* old residue 22 adding: *239* *22* *Ser* *C* *C* *175.260* *.* *1* old residue 22 adding: *240* *22* *Ser* *CA* *C* *57.137* *.* *1* old residue 22 adding: *241* *22* *Ser* *CB* *C* *65.168* *.* *1* old residue 22 adding: *242* *22* *Ser* *N* *N* *115.935* *.* *1* new residue 23 adding: *243* *23* *Arg* *H* *H* *8.191* *.* *1* old residue 23 adding: *244* *23* *Arg* *HA* *H* *4.188* *.* *1* old residue 23 adding: *245* *23* *Arg* *HB2* *H* *1.625* *.* *2* old residue 23 adding: *246* *23* *Arg* *HB3* *H* *1.804* *.* *2* old residue 23 adding: *247* *23* *Arg* *HG2* *H* *1.535* *.* *2* old residue 23 adding: *248* *23* *Arg* *HG3* *H* *1.282* *.* *2* old residue 23 adding: *249* *23* *Arg* *HD2* *H* *2.422* *.* *2* old residue 23 adding: *250* *23* *Arg* *HD3* *H* *2.421* *.* *2* old residue 23 adding: *251* *23* *Arg* *C* *C* *176.502* *.* *1* old residue 23 adding: *252* *23* *Arg* *CA* *C* *56.683* *.* *1* old residue 23 adding: *253* *23* *Arg* *CB* *C* *31.369* *.* *1* old residue 23 adding: *254* *23* *Arg* *CG* *C* *27.264* *.* *1* old residue 23 adding: *255* *23* *Arg* *CD* *C* *41.989* *.* *1* old residue 23 adding: *256* *23* *Arg* *N* *N* *123.783* *.* *1* new residue 24 adding: *257* *24* *Glu* *H* *H* *8.661* *.* *1* old residue 24 adding: *258* *24* *Glu* *HA* *H* *4.203* *.* *1* old residue 24 adding: *259* *24* *Glu* *HB2* *H* *2.084* *.* *2* old residue 24 adding: *260* *24* *Glu* *HB3* *H* *1.987* *.* *2* old residue 24 adding: *261* *24* *Glu* *HG2* *H* *2.269* *.* *2* old residue 24 adding: *262* *24* *Glu* *HG3* *H* *2.269* *.* *2* old residue 24 adding: *263* *24* *Glu* *C* *C* *177.273* *.* *1* old residue 24 adding: *264* *24* *Glu* *CA* *C* *56.863* *.* *1* old residue 24 adding: *265* *24* *Glu* *CB* *C* *29.913* *.* *1* old residue 24 adding: *266* *24* *Glu* *CG* *C* *36.206* *.* *1* old residue 24 adding: *267* *24* *Glu* *N* *N* *122.151* *.* *1* new residue 25 adding: *268* *25* *Gly* *H* *H* *8.463* *.* *1* old residue 25 adding: *269* *25* *Gly* *HA2* *H* *3.981* *.* *2* old residue 25 adding: *270* *25* *Gly* *HA3* *H* *3.989* *.* *2* old residue 25 adding: *271* *25* *Gly* *C* *C* *174.562* *.* *1* old residue 25 adding: *272* *25* *Gly* *CA* *C* *45.348* *.* *1* old residue 25 adding: *273* *25* *Gly* *N* *N* *111.861* *.* *1* new residue 26 adding: *274* *26* *Met* *H* *H* *8.661* *.* *1* old residue 26 adding: *275* *26* *Met* *HA* *H* *4.681* *.* *1* old residue 26 adding: *276* *26* *Met* *HB2* *H* *2.272* *.* *2* old residue 26 adding: *277* *26* *Met* *HB3* *H* *1.913* *.* *2* old residue 26 adding: *278* *26* *Met* *HG2* *H* *2.646* *.* *2* old residue 26 adding: *279* *26* *Met* *HG3* *H* *2.621* *.* *2* old residue 26 adding: *2791* *26* *Met* *HE* *H* *1.723* *.* *1* old residue 26 adding: *280* *26* *Met* *C* *C* *176.411* *.* *1* old residue 26 adding: *281* *26* *Met* *CA* *C* *54.635* *.* *1* old residue 26 adding: *282* *26* *Met* *CB* *C* *32.103* *.* *1* old residue 26 adding: *283* *26* *Met* *CG* *C* *32.262* *.* *1* old residue 26 adding: *2831* *26* *Met* *CE* *C* *17.385* *.* *1* old residue 26 adding: *284* *26* *Met* *N* *N* *118.985* *.* *1* new residue 27 adding: *285* *27* *Thr* *H* *H* *7.601* *.* *1* old residue 27 adding: *286* *27* *Thr* *HA* *H* *4.276* *.* *1* old residue 27 adding: *287* *27* *Thr* *HB* *H* *4.234* *.* *1* old residue 27 adding: *288* *27* *Thr* *HG2* *H* *1.233* *.* *1* old residue 27 adding: *289* *27* *Thr* *C* *C* *173.646* *.* *1* old residue 27 adding: *290* *27* *Thr* *CA* *C* *62.137* *.* *1* old residue 27 adding: *291* *27* *Thr* *CB* *C* *70.256* *.* *1* old residue 27 adding: *292* *27* *Thr* *CG2* *C* *21.838* *.* *1* old residue 27 adding: *293* *27* *Thr* *N* *N* *112.356* *.* *1* new residue 28 adding: *294* *28* *Ser* *H* *H* *8.370* *.* *1* old residue 28 adding: *295* *28* *Ser* *HA* *H* *4.937* *.* *1* old residue 28 adding: *296* *28* *Ser* *HB2* *H* *3.473* *.* *2* old residue 28 adding: *297* *28* *Ser* *HB3* *H* *3.530* *.* *2* old residue 28 adding: *298* *28* *Ser* *C* *C* *172.911* *.* *1* old residue 28 adding: *299* *28* *Ser* *CA* *C* *56.309* *.* *1* old residue 28 adding: *300* *28* *Ser* *CB* *C* *67.031* *.* *1* old residue 28 adding: *301* *28* *Ser* *N* *N* *116.874* *.* *1* new residue 29 adding: *302* *29* *Asp* *H* *H* *7.885* *.* *1* old residue 29 adding: *303* *29* *Asp* *HA* *H* *4.823* *.* *1* old residue 29 adding: *304* *29* *Asp* *HB2* *H* *1.969* *.* *2* old residue 29 adding: *305* *29* *Asp* *HB3* *H* *1.723* *.* *2* old residue 29 adding: *306* *29* *Asp* *C* *C* *173.762* *.* *1* old residue 29 adding: *307* *29* *Asp* *CA* *C* *54.208* *.* *1* old residue 29 adding: *308* *29* *Asp* *CB* *C* *47.234* *.* *1* old residue 29 adding: *309* *29* *Asp* *N* *N* *117.074* *.* *1* new residue 30 adding: *310* *30* *Thr* *H* *H* *8.189* *.* *1* old residue 30 adding: *311* *30* *Thr* *HA* *H* *5.123* *.* *1* old residue 30 adding: *312* *30* *Thr* *HB* *H* *3.917* *.* *1* old residue 30 adding: *313* *30* *Thr* *HG2* *H* *1.145* *.* *1* old residue 30 adding: *314* *30* *Thr* *C* *C* *173.612* *.* *1* old residue 30 adding: *315* *30* *Thr* *CA* *C* *61.941* *.* *1* old residue 30 adding: *316* *30* *Thr* *CB* *C* *70.143* *.* *1* old residue 30 adding: *317* *30* *Thr* *CG2* *C* *21.130* *.* *1* old residue 30 adding: *318* *30* *Thr* *N* *N* *115.249* *.* *1* new residue 31 adding: *319* *31* *Tyr* *H* *H* *9.791* *.* *1* old residue 31 adding: *320* *31* *Tyr* *HA* *H* *5.153* *.* *1* old residue 31 adding: *321* *31* *Tyr* *HB2* *H* *2.881* *.* *2* old residue 31 adding: *322* *31* *Tyr* *HB3* *H* *2.635* *.* *2* old residue 31 adding: *323* *31* *Tyr* *HD1* *H* *6.928* *.* *2* old residue 31 adding: *324* *31* *Tyr* *HE1* *H* *6.727* *.* *2* old residue 31 adding: *3231* *31* *Tyr* *HD2* *H* *6.928* *.* *2* old residue 31 adding: *3241* *31* *Tyr* *HE2* *H* *6.727* *.* *2* old residue 31 adding: *325* *31* *Tyr* *C* *C* *175.531* *.* *1* old residue 31 adding: *326* *31* *Tyr* *CA* *C* *55.813* *.* *1* old residue 31 adding: *327* *31* *Tyr* *CB* *C* *41.157* *.* *1* old residue 31 adding: *328* *31* *Tyr* *CD1* *C* *133.633* *.* *2* old residue 31 adding: *329* *31* *Tyr* *CE1* *C* *117.584* *.* *2* old residue 31 adding: *3281* *31* *Tyr* *CD2* *C* *133.633* *.* *2* old residue 31 adding: *3291* *31* *Tyr* *CE2* *C* *117.584* *.* *2* old residue 31 adding: *330* *31* *Tyr* *N* *N* *127.894* *.* *1* new residue 32 adding: *331* *32* *Thr* *H* *H* *9.143* *.* *1* old residue 32 adding: *332* *32* *Thr* *HA* *H* *4.593* *.* *1* old residue 32 adding: *333* *32* *Thr* *HB* *H* *4.460* *.* *1* old residue 32 adding: *334* *32* *Thr* *HG2* *H* *1.179* *.* *1* old residue 32 adding: *335* *32* *Thr* *C* *C* *173.565* *.* *1* old residue 32 adding: *336* *32* *Thr* *CA* *C* *61.611* *.* *1* old residue 32 adding: *337* *32* *Thr* *CB* *C* *71.109* *.* *1* old residue 32 adding: *338* *32* *Thr* *CG2* *C* *22.032* *.* *1* old residue 32 adding: *339* *32* *Thr* *N* *N* *111.101* *.* *1* new residue 33 adding: *340* *33* *Lys* *H* *H* *8.351* *.* *1* old residue 33 adding: *341* *33* *Lys* *HA* *H* *4.717* *.* *1* old residue 33 adding: *342* *33* *Lys* *HB2* *H* *1.657* *.* *2* old residue 33 adding: *343* *33* *Lys* *HB3* *H* *1.337* *.* *2* old residue 33 adding: *344* *33* *Lys* *HG2* *H* *1.514* *.* *2* old residue 33 adding: *345* *33* *Lys* *HD2* *H* *1.677* *.* *2* old residue 33 adding: *346* *33* *Lys* *HD3* *H* *1.775* *.* *2* old residue 33 adding: *347* *33* *Lys* *HE2* *H* *2.966* *.* *2* old residue 33 adding: *348* *33* *Lys* *C* *C* *174.595* *.* *1* old residue 33 adding: *349* *33* *Lys* *CA* *C* *54.424* *.* *1* old residue 33 adding: *350* *33* *Lys* *CB* *C* *35.335* *.* *1* old residue 33 adding: *351* *33* *Lys* *CG* *C* *23.313* *.* *1* old residue 33 adding: *352* *33* *Lys* *CD* *C* *29.126* *.* *1* old residue 33 adding: *353* *33* *Lys* *CE* *C* *42.253* *.* *1* old residue 33 adding: *354* *33* *Lys* *N* *N* *122.475* *.* *1* new residue 34 adding: *355* *34* *Val* *H* *H* *8.480* *.* *1* old residue 34 adding: *356* *34* *Val* *HA* *H* *3.618* *.* *1* old residue 34 adding: *357* *34* *Val* *HB* *H* *1.799* *.* *1* old residue 34 adding: *358* *34* *Val* *HG1* *H* *0.714* *.* *1* old residue 34 adding: *359* *34* *Val* *HG2* *H* *0.914* *.* *1* old residue 34 adding: *360* *34* *Val* *C* *C* *175.796* *.* *1* old residue 34 adding: *361* *34* *Val* *CA* *C* *63.644* *.* *1* old residue 34 adding: *362* *34* *Val* *CB* *C* *31.891* *.* *1* old residue 34 adding: *363* *34* *Val* *CG1* *C* *21.249* *.* *1* old residue 34 adding: *364* *34* *Val* *CG2* *C* *22.395* *.* *1* old residue 34 adding: *365* *34* *Val* *N* *N* *122.663* *.* *1* new residue 35 adding: *366* *35* *Asp* *H* *H* *7.714* *.* *1* old residue 35 adding: *367* *35* *Asp* *HA* *H* *4.705* *.* *1* old residue 35 adding: *368* *35* *Asp* *HB2* *H* *2.535* *.* *2* old residue 35 adding: *369* *35* *Asp* *HB3* *H* *2.194* *.* *2* old residue 35 adding: *370* *35* *Asp* *C* *C* *176.718* *.* *1* old residue 35 adding: *371* *35* *Asp* *CA* *C* *54.310* *.* *1* old residue 35 adding: *372* *35* *Asp* *CB* *C* *46.385* *.* *1* old residue 35 adding: *373* *35* *Asp* *N* *N* *125.352* *.* *1* new residue 36 adding: *374* *36* *Asp* *H* *H* *9.090* *.* *1* old residue 36 adding: *375* *36* *Asp* *HA* *H* *4.341* *.* *1* old residue 36 adding: *376* *36* *Asp* *HB2* *H* *2.686* *.* *2* old residue 36 adding: *377* *36* *Asp* *HB3* *H* *2.684* *.* *2* old residue 36 adding: *378* *36* *Asp* *C* *C* *176.050* *.* *1* old residue 36 adding: *379* *36* *Asp* *CA* *C* *57.092* *.* *1* old residue 36 adding: *380* *36* *Asp* *CB* *C* *40.630* *.* *1* old residue 36 adding: *381* *36* *Asp* *N* *N* *128.363* *.* *1* new residue 37 adding: *382* *37* *Ser* *H* *H* *8.950* *.* *1* old residue 37 adding: *383* *37* *Ser* *HA* *H* *4.370* *.* *1* old residue 37 adding: *384* *37* *Ser* *HB2* *H* *3.945* *.* *2* old residue 37 adding: *385* *37* *Ser* *HB3* *H* *4.008* *.* *2* old residue 37 adding: *386* *37* *Ser* *C* *C* *174.959* *.* *1* old residue 37 adding: *387* *37* *Ser* *CA* *C* *59.738* *.* *1* old residue 37 adding: *388* *37* *Ser* *CB* *C* *63.838* *.* *1* old residue 37 adding: *389* *37* *Ser* *N* *N* *114.863* *.* *1* new residue 38 adding: *390* *38* *Gln* *H* *H* *7.631* *.* *1* old residue 38 adding: *391* *38* *Gln* *HA* *H* *4.519* *.* *1* old residue 38 adding: *392* *38* *Gln* *HB2* *H* *2.012* *.* *2* old residue 38 adding: *393* *38* *Gln* *HB3* *H* *1.311* *.* *2* old residue 38 adding: *394* *38* *Gln* *HG2* *H* *2.390* *.* *2* old residue 38 adding: *395* *38* *Gln* *HG3* *H* *2.398* *.* *2* old residue 38 adding: *396* *38* *Gln* *HE21* *H* *7.284* *.* *1* old residue 38 adding: *397* *38* *Gln* *HE22* *H* *8.204* *.* *1* old residue 38 adding: *398* *38* *Gln* *CA* *C* *53.582* *.* *1* old residue 38 adding: *399* *38* *Gln* *CB* *C* *26.372* *.* *1* old residue 38 adding: *400* *38* *Gln* *CG* *C* *35.863* *.* *1* old residue 38 adding: *401* *38* *Gln* *N* *N* *121.850* *.* *1* old residue 38 adding: *402* *38* *Gln* *NE2* *N* *112.222* *.* *1* new residue 39 adding: *403* *39* *Pro* *HA* *H* *4.310* *.* *1* old residue 39 adding: *404* *39* *Pro* *HB2* *H* *2.474* *.* *2* old residue 39 adding: *405* *39* *Pro* *HB3* *H* *1.134* *.* *2* old residue 39 adding: *406* *39* *Pro* *HG2* *H* *2.051* *.* *2* old residue 39 adding: *407* *39* *Pro* *HG3* *H* *1.956* *.* *2* old residue 39 adding: *408* *39* *Pro* *HD2* *H* *3.895* *.* *2* old residue 39 adding: *409* *39* *Pro* *HD3* *H* *2.667* *.* *2* old residue 39 adding: *410* *39* *Pro* *C* *C* *177.152* *.* *1* old residue 39 adding: *411* *39* *Pro* *CA* *C* *62.492* *.* *1* old residue 39 adding: *412* *39* *Pro* *CB* *C* *32.913* *.* *1* old residue 39 adding: *413* *39* *Pro* *CG* *C* *27.862* *.* *1* old residue 39 adding: *414* *39* *Pro* *CD* *C* *50.001* *.* *1* new residue 40 adding: *415* *40* *Ala* *H* *H* *8.729* *.* *1* old residue 40 adding: *416* *40* *Ala* *HA* *H* *3.972* *.* *1* old residue 40 adding: *417* *40* *Ala* *HB* *H* *1.426* *.* *1* old residue 40 adding: *418* *40* *Ala* *C* *C* *179.843* *.* *1* old residue 40 adding: *419* *40* *Ala* *CA* *C* *56.013* *.* *1* old residue 40 adding: *420* *40* *Ala* *CB* *C* *17.680* *.* *1* old residue 40 adding: *421* *40* *Ala* *N* *N* *127.083* *.* *1* new residue 41 adding: *422* *41* *Phe* *H* *H* *8.059* *.* *1* old residue 41 adding: *423* *41* *Phe* *HA* *H* *4.129* *.* *1* old residue 41 adding: *424* *41* *Phe* *HB2* *H* *2.491* *.* *2* old residue 41 adding: *425* *41* *Phe* *HB3* *H* *2.847* *.* *2* old residue 41 adding: *426* *41* *Phe* *HD1* *H* *7.092* *.* *2* old residue 41 adding: *4261* *41* *Phe* *HD2* *H* *7.092* *.* *2* old residue 41 adding: *4262* *41* *Phe* *HE1* *H* *6.749* *.* *2* old residue 41 adding: *4263* *41* *Phe* *HE2* *H* *6.749* *.* *2* old residue 41 adding: *4626* *41* *Phe* *HZ* *H* *7.108* *.* *1* old residue 41 adding: *427* *41* *Phe* *C* *C* *175.662* *.* *1* old residue 41 adding: *428* *41* *Phe* *CA* *C* *59.819* *.* *1* old residue 41 adding: *429* *41* *Phe* *CB* *C* *36.834* *.* *1* old residue 41 adding: *430* *41* *Phe* *CD1* *C* *132.191* *.* *2* old residue 41 adding: *4301* *41* *Phe* *CD2* *C* *132.191* *.* *2* old residue 41 adding: *4302* *41* *Phe* *CE1* *C* *128.727* *.* *2* old residue 41 adding: *4303* *41* *Phe* *CE2* *C* *128.727* *.* *2* old residue 41 adding: *4304* *41* *Phe* *CZ* *C* *131.398* *.* *1* old residue 41 adding: *431* *41* *Phe* *N* *N* *112.471* *.* *1* new residue 42 adding: *432* *42* *Ile* *H* *H* *5.614* *.* *1* old residue 42 adding: *433* *42* *Ile* *HA* *H* *3.098* *.* *1* old residue 42 adding: *434* *42* *Ile* *HB* *H* *1.563* *.* *1* old residue 42 adding: *435* *42* *Ile* *HG12* *H* *0.310* *.* *2* old residue 42 adding: *436* *42* *Ile* *HG13* *H* *-0.078* *.* *2* old residue 42 adding: *437* *42* *Ile* *HG2* *H* *-0.131* *.* *1* old residue 42 adding: *438* *42* *Ile* *HD1* *H* *0.166* *.* *1* old residue 42 adding: *439* *42* *Ile* *C* *C* *177.110* *.* *1* old residue 42 adding: *440* *42* *Ile* *CA* *C* *59.822* *.* *1* old residue 42 adding: *441* *42* *Ile* *CB* *C* *34.539* *.* *1* old residue 42 adding: *442* *42* *Ile* *CG1* *C* *24.886* *.* *1* old residue 42 adding: *443* *42* *Ile* *CG2* *C* *16.343* *.* *1* old residue 42 adding: *444* *42* *Ile* *CD1* *C* *9.941* *.* *1* old residue 42 adding: *445* *42* *Ile* *N* *N* *120.594* *.* *1* new residue 43 adding: *446* *43* *Asn* *H* *H* *7.082* *.* *1* old residue 43 adding: *447* *43* *Asn* *HA* *H* *4.223* *.* *1* old residue 43 adding: *448* *43* *Asn* *HB2* *H* *2.484* *.* *2* old residue 43 adding: *449* *43* *Asn* *HB3* *H* *2.761* *.* *2* old residue 43 adding: *450* *43* *Asn* *HD21* *H* *7.386* *.* *1* old residue 43 adding: *451* *43* *Asn* *HD22* *H* *6.898* *.* *1* old residue 43 adding: *452* *43* *Asn* *C* *C* *176.972* *.* *1* old residue 43 adding: *453* *43* *Asn* *CA* *C* *55.562* *.* *1* old residue 43 adding: *454* *43* *Asn* *CB* *C* *37.808* *.* *1* old residue 43 adding: *455* *43* *Asn* *N* *N* *117.481* *.* *1* old residue 43 adding: *456* *43* *Asn* *ND2* *N* *114.020* *.* *1* new residue 44 adding: *457* *44* *Asp* *H* *H* *8.379* *.* *1* old residue 44 adding: *458* *44* *Asp* *HA* *H* *4.247* *.* *1* old residue 44 adding: *459* *44* *Asp* *HB2* *H* *2.500* *.* *2* old residue 44 adding: *460* *44* *Asp* *HB3* *H* *2.567* *.* *2* old residue 44 adding: *461* *44* *Asp* *C* *C* *179.368* *.* *1* old residue 44 adding: *462* *44* *Asp* *CA* *C* *57.538* *.* *1* old residue 44 adding: *463* *44* *Asp* *CB* *C* *40.670* *.* *1* old residue 44 adding: *464* *44* *Asp* *N* *N* *117.588* *.* *1* new residue 45 adding: *465* *45* *Ile* *H* *H* *7.604* *.* *1* old residue 45 adding: *466* *45* *Ile* *HA* *H* *3.687* *.* *1* old residue 45 adding: *467* *45* *Ile* *HB* *H* *1.872* *.* *1* old residue 45 adding: *468* *45* *Ile* *HG12* *H* *2.358* *.* *2* old residue 45 adding: *469* *45* *Ile* *HG13* *H* *0.845* *.* *2* old residue 45 adding: *470* *45* *Ile* *HG2* *H* *0.974* *.* *1* old residue 45 adding: *471* *45* *Ile* *HD1* *H* *0.941* *.* *1* old residue 45 adding: *472* *45* *Ile* *C* *C* *177.480* *.* *1* old residue 45 adding: *473* *45* *Ile* *CA* *C* *65.907* *.* *1* old residue 45 adding: *474* *45* *Ile* *CB* *C* *37.886* *.* *1* old residue 45 adding: *475* *45* *Ile* *CG1* *C* *30.284* *.* *1* old residue 45 adding: *476* *45* *Ile* *CG2* *C* *19.491* *.* *1* old residue 45 adding: *477* *45* *Ile* *CD1* *C* *14.733* *.* *1* old residue 45 adding: *478* *45* *Ile* *N* *N* *121.473* *.* *1* new residue 46 adding: *479* *46* *Leu* *H* *H* *7.863* *.* *1* old residue 46 adding: *480* *46* *Leu* *HA* *H* *3.833* *.* *1* old residue 46 adding: *481* *46* *Leu* *HB2* *H* *1.838* *.* *2* old residue 46 adding: *482* *46* *Leu* *HB3* *H* *1.215* *.* *2* old residue 46 adding: *483* *46* *Leu* *HG* *H* *1.632* *.* *1* old residue 46 adding: *484* *46* *Leu* *HD1* *H* *0.454* *.* *1* old residue 46 adding: *485* *46* *Leu* *HD2* *H* *0.550* *.* *1* old residue 46 adding: *486* *46* *Leu* *C* *C* *178.165* *.* *1* old residue 46 adding: *487* *46* *Leu* *CA* *C* *57.080* *.* *1* old residue 46 adding: *488* *46* *Leu* *CB* *C* *41.967* *.* *1* old residue 46 adding: *489* *46* *Leu* *CG* *C* *26.699* *.* *1* old residue 46 adding: *490* *46* *Leu* *CD1* *C* *27.035* *.* *1* old residue 46 adding: *491* *46* *Leu* *CD2* *C* *22.131* *.* *1* old residue 46 adding: *492* *46* *Leu* *N* *N* *118.055* *.* *1* new residue 47 adding: *493* *47* *Lys* *H* *H* *7.161* *.* *1* old residue 47 adding: *494* *47* *Lys* *HA* *H* *4.044* *.* *1* old residue 47 adding: *495* *47* *Lys* *HB2* *H* *1.987* *.* *2* old residue 47 adding: *496* *47* *Lys* *HB3* *H* *1.732* *.* *2* old residue 47 adding: *497* *47* *Lys* *HG2* *H* *1.725* *.* *2* old residue 47 adding: *498* *47* *Lys* *HG3* *H* *1.357* *.* *2* old residue 47 adding: *499* *47* *Lys* *HD2* *H* *1.581* *.* *2* old residue 47 adding: *500* *47* *Lys* *HD3* *H* *1.709* *.* *2* old residue 47 adding: *501* *47* *Lys* *HE2* *H* *2.803* *.* *2* old residue 47 adding: *502* *47* *Lys* *HE3* *H* *2.792* *.* *2* old residue 47 adding: *503* *47* *Lys* *C* *C* *177.017* *.* *1* old residue 47 adding: *504* *47* *Lys* *CA* *C* *57.174* *.* *1* old residue 47 adding: *505* *47* *Lys* *CB* *C* *33.031* *.* *1* old residue 47 adding: *506* *47* *Lys* *CG* *C* *25.683* *.* *1* old residue 47 adding: *507* *47* *Lys* *CD* *C* *29.714* *.* *1* old residue 47 adding: *508* *47* *Lys* *CE* *C* *42.290* *.* *1* old residue 47 adding: *509* *47* *Lys* *N* *N* *116.384* *.* *1* new residue 48 adding: *510* *48* *Val* *H* *H* *7.791* *.* *1* old residue 48 adding: *511* *48* *Val* *HA* *H* *3.626* *.* *1* old residue 48 adding: *512* *48* *Val* *HB* *H* *2.524* *.* *1* old residue 48 adding: *513* *48* *Val* *HG1* *H* *1.011* *.* *1* old residue 48 adding: *514* *48* *Val* *HG2* *H* *0.994* *.* *1* old residue 48 adding: *515* *48* *Val* *C* *C* *176.014* *.* *1* old residue 48 adding: *516* *48* *Val* *CA* *C* *63.747* *.* *1* old residue 48 adding: *517* *48* *Val* *CB* *C* *30.987* *.* *1* old residue 48 adding: *518* *48* *Val* *CG1* *C* *22.915* *.* *1* old residue 48 adding: *519* *48* *Val* *CG2* *C* *22.383* *.* *1* old residue 48 adding: *520* *48* *Val* *N* *N* *124.655* *.* *1* new residue 49 adding: *521* *49* *Glu* *H* *H* *8.569* *.* *1* old residue 49 adding: *522* *49* *Glu* *HA* *H* *3.941* *.* *1* old residue 49 adding: *523* *49* *Glu* *HB2* *H* *1.996* *.* *2* old residue 49 adding: *524* *49* *Glu* *HB3* *H* *1.911* *.* *2* old residue 49 adding: *525* *49* *Glu* *HG2* *H* *2.253* *.* *2* old residue 49 adding: *526* *49* *Glu* *HG3* *H* *2.253* *.* *2* old residue 49 adding: *527* *49* *Glu* *C* *C* *176.461* *.* *1* old residue 49 adding: *528* *49* *Glu* *CA* *C* *58.393* *.* *1* old residue 49 adding: *529* *49* *Glu* *CB* *C* *29.169* *.* *1* old residue 49 adding: *530* *49* *Glu* *CG* *C* *36.101* *.* *1* old residue 49 adding: *531* *49* *Glu* *N* *N* *130.358* *.* *1* new residue 50 adding: *532* *50* *Gly* *H* *H* *8.768* *.* *1* old residue 50 adding: *533* *50* *Gly* *HA2* *H* *4.185* *.* *2* old residue 50 adding: *534* *50* *Gly* *HA3* *H* *3.384* *.* *2* old residue 50 adding: *535* *50* *Gly* *C* *C* *173.991* *.* *1* old residue 50 adding: *536* *50* *Gly* *CA* *C* *44.705* *.* *1* old residue 50 adding: *537* *50* *Gly* *N* *N* *114.068* *.* *1* new residue 51 adding: *538* *51* *Val* *H* *H* *7.751* *.* *1* old residue 51 adding: *539* *51* *Val* *HA* *H* *3.768* *.* *1* old residue 51 adding: *540* *51* *Val* *HB* *H* *2.306* *.* *1* old residue 51 adding: *541* *51* *Val* *HG1* *H* *0.806* *.* *1* old residue 51 adding: *542* *51* *Val* *HG2* *H* *0.754* *.* *1* old residue 51 adding: *543* *51* *Val* *C* *C* *175.262* *.* *1* old residue 51 adding: *544* *51* *Val* *CA* *C* *64.610* *.* *1* old residue 51 adding: *545* *51* *Val* *CB* *C* *31.534* *.* *1* old residue 51 adding: *546* *51* *Val* *CG1* *C* *21.719* *.* *1* old residue 51 adding: *547* *51* *Val* *CG2* *C* *22.636* *.* *1* old residue 51 adding: *548* *51* *Val* *N* *N* *120.498* *.* *1* new residue 52 adding: *549* *52* *Lys* *H* *H* *9.379* *.* *1* old residue 52 adding: *550* *52* *Lys* *HA* *H* *4.481* *.* *1* old residue 52 adding: *551* *52* *Lys* *HB2* *H* *1.512* *.* *2* old residue 52 adding: *552* *52* *Lys* *HB3* *H* *1.341* *.* *2* old residue 52 adding: *553* *52* *Lys* *HG2* *H* *1.434* *.* *2* old residue 52 adding: *554* *52* *Lys* *HG3* *H* *1.238* *.* *2* old residue 52 adding: *555* *52* *Lys* *HD2* *H* *1.666* *.* *2* old residue 52 adding: *556* *52* *Lys* *HE2* *H* *2.993* *.* *2* old residue 52 adding: *557* *52* *Lys* *C* *C* *175.385* *.* *1* old residue 52 adding: *558* *52* *Lys* *CA* *C* *57.163* *.* *1* old residue 52 adding: *559* *52* *Lys* *CB* *C* *35.786* *.* *1* old residue 52 adding: *560* *52* *Lys* *CG* *C* *24.515* *.* *1* old residue 52 adding: *561* *52* *Lys* *CD* *C* *29.438* *.* *1* old residue 52 adding: *562* *52* *Lys* *CE* *C* *41.825* *.* *1* old residue 52 adding: *563* *52* *Lys* *N* *N* *129.475* *.* *1* new residue 53 adding: *564* *53* *Ser* *H* *H* *7.655* *.* *1* old residue 53 adding: *565* *53* *Ser* *HA* *H* *4.903* *.* *1* old residue 53 adding: *566* *53* *Ser* *HB2* *H* *3.881* *.* *2* old residue 53 adding: *567* *53* *Ser* *HB3* *H* *3.767* *.* *2* old residue 53 adding: *568* *53* *Ser* *C* *C* *172.396* *.* *1* old residue 53 adding: *569* *53* *Ser* *CA* *C* *57.730* *.* *1* old residue 53 adding: *570* *53* *Ser* *CB* *C* *64.653* *.* *1* old residue 53 adding: *571* *53* *Ser* *N* *N* *108.885* *.* *1* new residue 54 adding: *572* *54* *Ile* *H* *H* *8.783* *.* *1* old residue 54 adding: *573* *54* *Ile* *HA* *H* *5.054* *.* *1* old residue 54 adding: *574* *54* *Ile* *HB* *H* *1.846* *.* *1* old residue 54 adding: *575* *54* *Ile* *HG12* *H* *1.660* *.* *2* old residue 54 adding: *576* *54* *Ile* *HG13* *H* *1.062* *.* *2* old residue 54 adding: *577* *54* *Ile* *HG2* *H* *1.021* *.* *1* old residue 54 adding: *578* *54* *Ile* *HD1* *H* *0.886* *.* *1* old residue 54 adding: *579* *54* *Ile* *C* *C* *173.244* *.* *1* old residue 54 adding: *580* *54* *Ile* *CA* *C* *60.602* *.* *1* old residue 54 adding: *581* *54* *Ile* *CB* *C* *44.277* *.* *1* old residue 54 adding: *582* *54* *Ile* *CG1* *C* *27.818* *.* *1* old residue 54 adding: *583* *54* *Ile* *CG2* *C* *18.616* *.* *1* old residue 54 adding: *584* *54* *Ile* *CD1* *C* *18.297* *.* *1* old residue 54 adding: *585* *54* *Ile* *N* *N* *119.458* *.* *1* new residue 55 adding: *586* *55* *Phe* *H* *H* *9.142* *.* *1* old residue 55 adding: *587* *55* *Phe* *HA* *H* *5.598* *.* *1* old residue 55 adding: *588* *55* *Phe* *HB2* *H* *3.256* *.* *2* old residue 55 adding: *589* *55* *Phe* *HB3* *H* *3.159* *.* *2* old residue 55 adding: *590* *55* *Phe* *HD1* *H* *7.333* *.* *2* old residue 55 adding: *5901* *55* *Phe* *HD2* *H* *7.333* *.* *2* old residue 55 adding: *5902* *55* *Phe* *HE1* *H* *7.264* *.* *2* old residue 55 adding: *5903* *55* *Phe* *HE2* *H* *7.264* *.* *2* old residue 55 adding: *5904* *55* *Phe* *HZ* *H* *6.775* *.* *1* old residue 55 adding: *591* *55* *Phe* *C* *C* *173.761* *.* *1* old residue 55 adding: *592* *55* *Phe* *CA* *C* *55.938* *.* *1* old residue 55 adding: *593* *55* *Phe* *CB* *C* *41.641* *.* *1* old residue 55 adding: *594* *55* *Phe* *CD1* *C* *131.916* *.* *2* old residue 55 adding: *5941* *55* *Phe* *CD2* *C* *131.916* *.* *2* old residue 55 adding: *5942* *55* *Phe* *CE1* *C* *131.172* *.* *2* old residue 55 adding: *5943* *55* *Phe* *CE2* *C* *131.172* *.* *2* old residue 55 adding: *5944* *55* *Phe* *CZ* *C* *130.724* *.* *1* old residue 55 adding: *595* *55* *Phe* *N* *N* *129.664* *.* *1* new residue 56 adding: *596* *56* *His* *H* *H* *8.824* *.* *1* old residue 56 adding: *597* *56* *His* *HA* *H* *5.531* *.* *1* old residue 56 adding: *598* *56* *His* *HB2* *H* *3.239* *.* *2* old residue 56 adding: *599* *56* *His* *HB3* *H* *2.670* *.* *2* old residue 56 adding: *600* *56* *His* *HD2* *H* *7.256* *.* *1* old residue 56 adding: *601* *56* *His* *C* *C* *172.379* *.* *1* old residue 56 adding: *602* *56* *His* *CA* *C* *52.836* *.* *1* old residue 56 adding: *603* *56* *His* *CB* *C* *37.218* *.* *1* old residue 56 adding: *604* *56* *His* *CD2* *C* *118.543* *.* *1* old residue 56 adding: *605* *56* *His* *N* *N* *129.160* *.* *1* new residue 57 adding: *606* *57* *Val* *H* *H* *8.072* *.* *1* old residue 57 adding: *607* *57* *Val* *HA* *H* *3.774* *.* *1* old residue 57 adding: *608* *57* *Val* *HB* *H* *1.217* *.* *1* old residue 57 adding: *609* *57* *Val* *HG1* *H* *0.278* *.* *1* old residue 57 adding: *610* *57* *Val* *HG2* *H* *0.787* *.* *1* old residue 57 adding: *611* *57* *Val* *C* *C* *169.848* *.* *1* old residue 57 adding: *612* *57* *Val* *CA* *C* *60.176* *.* *1* old residue 57 adding: *613* *57* *Val* *CB* *C* *34.140* *.* *1* old residue 57 adding: *614* *57* *Val* *CG1* *C* *21.368* *.* *1* old residue 57 adding: *615* *57* *Val* *CG2* *C* *22.132* *.* *1* old residue 57 adding: *616* *57* *Val* *N* *N* *127.671* *.* *1* new residue 58 adding: *617* *58* *Met* *H* *H* *9.140* *.* *1* old residue 58 adding: *618* *58* *Met* *HA* *H* *3.804* *.* *1* old residue 58 adding: *619* *58* *Met* *HB2* *H* *2.136* *.* *2* old residue 58 adding: *620* *58* *Met* *HB3* *H* *2.212* *.* *2* old residue 58 adding: *621* *58* *Met* *HG2* *H* *2.666* *.* *2* old residue 58 adding: *622* *58* *Met* *HG3* *H* *2.668* *.* *2* old residue 58 adding: *623* *58* *Met* *C* *C* *175.156* *.* *1* old residue 58 adding: *624* *58* *Met* *CA* *C* *57.730* *.* *1* old residue 58 adding: *625* *58* *Met* *CB* *C* *31.555* *.* *1* old residue 58 adding: *626* *58* *Met* *CG* *C* *32.834* *.* *1* old residue 58 adding: *627* *58* *Met* *N* *N* *119.988* *.* *1* new residue 59 adding: *628* *59* *Asp* *H* *H* *8.751* *.* *1* old residue 59 adding: *629* *59* *Asp* *HA* *H* *4.938* *.* *1* old residue 59 adding: *630* *59* *Asp* *HB2* *H* *2.431* *.* *2* old residue 59 adding: *631* *59* *Asp* *HB3* *H* *3.354* *.* *2* old residue 59 adding: *632* *59* *Asp* *C* *C* *174.038* *.* *1* old residue 59 adding: *633* *59* *Asp* *CA* *C* *52.397* *.* *1* old residue 59 adding: *634* *59* *Asp* *CB* *C* *39.908* *.* *1* old residue 59 adding: *635* *59* *Asp* *N* *N* *122.637* *.* *1* new residue 60 adding: *636* *60* *Phe* *H* *H* *8.971* *.* *1* old residue 60 adding: *637* *60* *Phe* *HA* *H* *5.885* *.* *1* old residue 60 adding: *638* *60* *Phe* *HB2* *H* *2.981* *.* *2* old residue 60 adding: *639* *60* *Phe* *HB3* *H* *2.938* *.* *2* old residue 60 adding: *640* *60* *Phe* *HD1* *H* *7.217* *.* *2* old residue 60 adding: *6401* *60* *Phe* *HD2* *H* *7.217* *.* *2* old residue 60 adding: *6402* *60* *Phe* *HE1* *H* *7.320* *.* *2* old residue 60 adding: *6403* *60* *Phe* *HE2* *H* *7.320* *.* *2* old residue 60 adding: *6404* *60* *Phe* *HZ* *H* *7.181* *.* *2* old residue 60 adding: *641* *60* *Phe* *C* *C* *173.686* *.* *1* old residue 60 adding: *642* *60* *Phe* *CA* *C* *56.469* *.* *1* old residue 60 adding: *643* *60* *Phe* *CB* *C* *42.851* *.* *1* old residue 60 adding: *644* *60* *Phe* *CD1* *C* *133.198* *.* *2* old residue 60 adding: *6441* *60* *Phe* *CD2* *C* *133.198* *.* *2* old residue 60 adding: *6442* *60* *Phe* *CE1* *C* *130.678* *.* *2* old residue 60 adding: *6443* *60* *Phe* *CE2* *C* *130.678* *.* *2* old residue 60 adding: *6444* *60* *Phe* *CZ* *C* *129.380* *.* *1* old residue 60 adding: *645* *60* *Phe* *N* *N* *115.459* *.* *1* new residue 61 adding: *646* *61* *Ile* *H* *H* *8.965* *.* *1* old residue 61 adding: *647* *61* *Ile* *HA* *H* *5.780* *.* *1* old residue 61 adding: *648* *61* *Ile* *HB* *H* *1.766* *.* *1* old residue 61 adding: *649* *61* *Ile* *HG12* *H* *2.033* *.* *2* old residue 61 adding: *650* *61* *Ile* *HG13* *H* *1.270* *.* *2* old residue 61 adding: *651* *61* *Ile* *HG2* *H* *0.792* *.* *1* old residue 61 adding: *652* *61* *Ile* *HD1* *H* *0.923* *.* *1* old residue 61 adding: *653* *61* *Ile* *C* *C* *175.675* *.* *1* old residue 61 adding: *654* *61* *Ile* *CA* *C* *58.280* *.* *1* old residue 61 adding: *655* *61* *Ile* *CB* *C* *41.093* *.* *1* old residue 61 adding: *656* *61* *Ile* *CG1* *C* *25.725* *.* *1* old residue 61 adding: *657* *61* *Ile* *CG2* *C* *18.323* *.* *1* old residue 61 adding: *658* *61* *Ile* *CD1* *C* *14.183* *.* *1* old residue 61 adding: *659* *61* *Ile* *N* *N* *109.286* *.* *1* new residue 62 adding: *660* *62* *Ser* *H* *H* *9.952* *.* *1* old residue 62 adding: *661* *62* *Ser* *HA* *H* *5.645* *.* *1* old residue 62 adding: *662* *62* *Ser* *HB2* *H* *4.036* *.* *2* old residue 62 adding: *663* *62* *Ser* *HB3* *H* *4.036* *.* *2* old residue 62 adding: *664* *62* *Ser* *C* *C* *175.117* *.* *1* old residue 62 adding: *665* *62* *Ser* *CA* *C* *56.894* *.* *1* old residue 62 adding: *666* *62* *Ser* *CB* *C* *64.262* *.* *1* old residue 62 adding: *667* *62* *Ser* *N* *N* *121.046* *.* *1* new residue 63 adding: *668* *63* *Val* *H* *H* *9.529* *.* *1* old residue 63 adding: *669* *63* *Val* *HA* *H* *4.699* *.* *1* old residue 63 adding: *670* *63* *Val* *HB* *H* *2.243* *.* *1* old residue 63 adding: *671* *63* *Val* *HG1* *H* *1.170* *.* *1* old residue 63 adding: *672* *63* *Val* *HG2* *H* *1.139* *.* *1* old residue 63 adding: *673* *63* *Val* *C* *C* *173.893* *.* *1* old residue 63 adding: *674* *63* *Val* *CA* *C* *61.707* *.* *1* old residue 63 adding: *675* *63* *Val* *CB* *C* *34.447* *.* *1* old residue 63 adding: *676* *63* *Val* *CG1* *C* *22.012* *.* *1* old residue 63 adding: *677* *63* *Val* *CG2* *C* *22.190* *.* *1* old residue 63 adding: *678* *63* *Val* *N* *N* *129.348* *.* *1* new residue 64 adding: *679* *64* *Asp* *H* *H* *9.093* *.* *1* old residue 64 adding: *680* *64* *Asp* *HA* *H* *6.215* *.* *1* old residue 64 adding: *681* *64* *Asp* *HB2* *H* *2.429* *.* *2* old residue 64 adding: *682* *64* *Asp* *HB3* *H* *2.828* *.* *2* old residue 64 adding: *683* *64* *Asp* *C* *C* *176.649* *.* *1* old residue 64 adding: *684* *64* *Asp* *CA* *C* *52.125* *.* *1* old residue 64 adding: *685* *64* *Asp* *CB* *C* *41.773* *.* *1* old residue 64 adding: *686* *64* *Asp* *N* *N* *127.869* *.* *1* new residue 65 adding: *687* *65* *Lys* *H* *H* *9.071* *.* *1* old residue 65 adding: *688* *65* *Lys* *HA* *H* *5.210* *.* *1* old residue 65 adding: *689* *65* *Lys* *HB2* *H* *1.118* *.* *2* old residue 65 adding: *690* *65* *Lys* *HB3* *H* *0.449* *.* *2* old residue 65 adding: *691* *65* *Lys* *HG2* *H* *0.968* *.* *2* old residue 65 adding: *692* *65* *Lys* *HG3* *H* *0.746* *.* *2* old residue 65 adding: *693* *65* *Lys* *HD2* *H* *0.173* *.* *2* old residue 65 adding: *694* *65* *Lys* *HD3* *H* *-1.016* *.* *2* old residue 65 adding: *695* *65* *Lys* *HE2* *H* *2.639* *.* *2* old residue 65 adding: *696* *65* *Lys* *HE3* *H* *2.643* *.* *2* old residue 65 adding: *697* *65* *Lys* *C* *C* *175.936* *.* *1* old residue 65 adding: *698* *65* *Lys* *CA* *C* *52.981* *.* *1* old residue 65 adding: *699* *65* *Lys* *CB* *C* *34.777* *.* *1* old residue 65 adding: *700* *65* *Lys* *CG* *C* *22.321* *.* *1* old residue 65 adding: *701* *65* *Lys* *CD* *C* *28.363* *.* *1* old residue 65 adding: *702* *65* *Lys* *CE* *C* *42.792* *.* *1* old residue 65 adding: *703* *65* *Lys* *N* *N* *120.964* *.* *1* new residue 66 adding: *704* *66* *Glu* *H* *H* *8.282* *.* *1* old residue 66 adding: *705* *66* *Glu* *HA* *H* *4.143* *.* *1* old residue 66 adding: *706* *66* *Glu* *HB2* *H* *2.186* *.* *2* old residue 66 adding: *707* *66* *Glu* *HB3* *H* *1.609* *.* *2* old residue 66 adding: *708* *66* *Glu* *HG2* *H* *2.300* *.* *2* old residue 66 adding: *709* *66* *Glu* *HG3* *H* *2.051* *.* *2* old residue 66 adding: *710* *66* *Glu* *C* *C* *178.756* *.* *1* old residue 66 adding: *711* *66* *Glu* *CA* *C* *55.751* *.* *1* old residue 66 adding: *712* *66* *Glu* *CB* *C* *30.121* *.* *1* old residue 66 adding: *713* *66* *Glu* *CG* *C* *35.198* *.* *1* old residue 66 adding: *714* *66* *Glu* *N* *N* *118.741* *.* *1* new residue 67 adding: *715* *67* *Asn* *H* *H* *9.071* *.* *1* old residue 67 adding: *716* *67* *Asn* *HA* *H* *4.385* *.* *1* old residue 67 adding: *717* *67* *Asn* *HB2* *H* *2.780* *.* *2* old residue 67 adding: *718* *67* *Asn* *HB3* *H* *2.778* *.* *2* old residue 67 adding: *719* *67* *Asn* *HD21* *H* *7.719* *.* *1* old residue 67 adding: *720* *67* *Asn* *HD22* *H* *6.991* *.* *1* old residue 67 adding: *721* *67* *Asn* *C* *C* *176.421* *.* *1* old residue 67 adding: *722* *67* *Asn* *CA* *C* *56.903* *.* *1* old residue 67 adding: *723* *67* *Asn* *CB* *C* *39.018* *.* *1* old residue 67 adding: *724* *67* *Asn* *N* *N* *122.060* *.* *1* old residue 67 adding: *725* *67* *Asn* *ND2* *N* *114.356* *.* *1* new residue 68 adding: *726* *68* *Asp* *H* *H* *8.322* *.* *1* old residue 68 adding: *727* *68* *Asp* *HA* *H* *4.527* *.* *1* old residue 68 adding: *728* *68* *Asp* *HB2* *H* *2.660* *.* *2* old residue 68 adding: *729* *68* *Asp* *HB3* *H* *2.672* *.* *2* old residue 68 adding: *730* *68* *Asp* *C* *C* *176.143* *.* *1* old residue 68 adding: *731* *68* *Asp* *CA* *C* *53.915* *.* *1* old residue 68 adding: *732* *68* *Asp* *CB* *C* *40.124* *.* *1* old residue 68 adding: *733* *68* *Asp* *N* *N* *112.268* *.* *1* new residue 69 adding: *734* *69* *Ala* *H* *H* *7.131* *.* *1* old residue 69 adding: *735* *69* *Ala* *HA* *H* *4.433* *.* *1* old residue 69 adding: *736* *69* *Ala* *HB* *H* *1.282* *.* *1* old residue 69 adding: *737* *69* *Ala* *C* *C* *175.954* *.* *1* old residue 69 adding: *738* *69* *Ala* *CA* *C* *51.014* *.* *1* old residue 69 adding: *739* *69* *Ala* *CB* *C* *20.183* *.* *1* old residue 69 adding: *740* *69* *Ala* *N* *N* *122.269* *.* *1* new residue 70 adding: *741* *70* *Asn* *H* *H* *9.052* *.* *1* old residue 70 adding: *742* *70* *Asn* *HA* *H* *5.067* *.* *1* old residue 70 adding: *743* *70* *Asn* *HB2* *H* *2.861* *.* *2* old residue 70 adding: *744* *70* *Asn* *HB3* *H* *2.952* *.* *2* old residue 70 adding: *745* *70* *Asn* *HD21* *H* *7.759* *.* *1* old residue 70 adding: *746* *70* *Asn* *HD22* *H* *7.019* *.* *1* old residue 70 adding: *747* *70* *Asn* *C* *C* *176.728* *.* *1* old residue 70 adding: *748* *70* *Asn* *CA* *C* *51.256* *.* *1* old residue 70 adding: *749* *70* *Asn* *CB* *C* *41.143* *.* *1* old residue 70 adding: *750* *70* *Asn* *N* *N* *118.796* *.* *1* old residue 70 adding: *751* *70* *Asn* *ND2* *N* *114.632* *.* *1* new residue 71 adding: *752* *71* *Trp* *H* *H* *9.490* *.* *1* old residue 71 adding: *753* *71* *Trp* *HA* *H* *4.647* *.* *1* old residue 71 adding: *754* *71* *Trp* *HB2* *H* *3.356* *.* *2* old residue 71 adding: *755* *71* *Trp* *HB3* *H* *3.273* *.* *2* old residue 71 adding: *756* *71* *Trp* *HD1* *H* *7.431* *.* *1* old residue 71 adding: *757* *71* *Trp* *HE1* *H* *9.956* *.* *1* old residue 71 adding: *7571* *71* *Trp* *HZ2* *H* *7.494* *.* *1* old residue 71 adding: *7572* *71* *Trp* *HH2* *H* *7.224* *.* *1* old residue 71 adding: *7573* *71* *Trp* *HZ3* *H* *6.690* *.* *1* old residue 71 adding: *7574* *71* *Trp* *HE3* *H* *7.477* *.* *1* old residue 71 adding: *7575* *71* *Trp* *CZ2* *C* *115.95* *.* *1* old residue 71 adding: *7576* *71* *Trp* *CH2* *C* *125.27* *.* *1* old residue 71 adding: *7577* *71* *Trp* *CZ3* *C* *120.358* *.* *1* old residue 71 adding: *7578* *71* *Trp* *CE3* *C* *120.27* *.* *1* old residue 71 adding: *758* *71* *Trp* *C* *C* *177.891* *.* *1* old residue 71 adding: *759* *71* *Trp* *CA* *C* *60.624* *.* *1* old residue 71 adding: *760* *71* *Trp* *CB* *C* *30.141* *.* *1* old residue 71 adding: *761* *71* *Trp* *CD1* *C* *128.442* *.* *1* old residue 71 adding: *762* *71* *Trp* *N* *N* *125.989* *.* *1* old residue 71 adding: *763* *71* *Trp* *NE1* *N* *127.607* *.* *1* new residue 72 adding: *764* *72* *Glu* *H* *H* *9.323* *.* *1* old residue 72 adding: *765* *72* *Glu* *HA* *H* *4.171* *.* *1* old residue 72 adding: *766* *72* *Glu* *HB2* *H* *2.135* *.* *2* old residue 72 adding: *767* *72* *Glu* *HB3* *H* *2.058* *.* *2* old residue 72 adding: *768* *72* *Glu* *HG2* *H* *2.416* *.* *2* old residue 72 adding: *769* *72* *Glu* *HG3* *H* *2.416* *.* *2* old residue 72 adding: *770* *72* *Glu* *C* *C* *177.775* *.* *1* old residue 72 adding: *771* *72* *Glu* *CA* *C* *59.758* *.* *1* old residue 72 adding: *772* *72* *Glu* *CB* *C* *29.002* *.* *1* old residue 72 adding: *773* *72* *Glu* *CG* *C* *36.943* *.* *1* old residue 72 adding: *774* *72* *Glu* *N* *N* *117.581* *.* *1* new residue 73 adding: *775* *73* *Thr* *H* *H* *7.481* *.* *1* old residue 73 adding: *776* *73* *Thr* *HA* *H* *4.344* *.* *1* old residue 73 adding: *777* *73* *Thr* *HB* *H* *4.352* *.* *1* old residue 73 adding: *778* *73* *Thr* *HG2* *H* *1.274* *.* *1* old residue 73 adding: *779* *73* *Thr* *C* *C* *176.175* *.* *1* old residue 73 adding: *780* *73* *Thr* *CA* *C* *63.769* *.* *1* old residue 73 adding: *781* *73* *Thr* *CB* *C* *69.156* *.* *1* old residue 73 adding: *782* *73* *Thr* *CG2* *C* *22.043* *.* *1* old residue 73 adding: *783* *73* *Thr* *N* *N* *111.273* *.* *1* new residue 74 adding: *784* *74* *Val* *H* *H* *8.012* *.* *1* old residue 74 adding: *785* *74* *Val* *HA* *H* *3.707* *.* *1* old residue 74 adding: *786* *74* *Val* *HB* *H* *1.887* *.* *1* old residue 74 adding: *787* *74* *Val* *HG1* *H* *0.862* *.* *1* old residue 74 adding: *788* *74* *Val* *HG2* *H* *0.970* *.* *1* old residue 74 adding: *789* *74* *Val* *C* *C* *177.933* *.* *1* old residue 74 adding: *790* *74* *Val* *CA* *C* *66.293* *.* *1* old residue 74 adding: *791* *74* *Val* *CB* *C* *34.587* *.* *1* old residue 74 adding: *792* *74* *Val* *CG1* *C* *22.438* *.* *1* old residue 74 adding: *793* *74* *Val* *CG2* *C* *22.447* *.* *1* old residue 74 adding: *794* *74* *Val* *N* *N* *121.666* *.* *1* new residue 75 adding: *795* *75* *Leu* *H* *H* *9.422* *.* *1* old residue 75 adding: *796* *75* *Leu* *HA* *H* *4.364* *.* *1* old residue 75 adding: *797* *75* *Leu* *HB2* *H* *2.040* *.* *2* old residue 75 adding: *798* *75* *Leu* *HB3* *H* *2.040* *.* *2* old residue 75 adding: *799* *75* *Leu* *HG* *H* *2.041* *.* *1* old residue 75 adding: *800* *75* *Leu* *HD1* *H* *0.868* *.* *1* old residue 75 adding: *801* *75* *Leu* *HD2* *H* *0.845* *.* *1* old residue 75 adding: *802* *75* *Leu* *CA* *C* *60.234* *.* *1* old residue 75 adding: *803* *75* *Leu* *CB* *C* *39.556* *.* *1* old residue 75 adding: *804* *75* *Leu* *CG* *C* *27.248* *.* *1* old residue 75 adding: *805* *75* *Leu* *CD1* *C* *23.644* *.* *1* old residue 75 adding: *806* *75* *Leu* *CD2* *C* *24.254* *.* *1* old residue 75 adding: *807* *75* *Leu* *N* *N* *118.983* *.* *1* new residue 76 adding: *808* *76* *Pro* *HA* *H* *4.518* *.* *1* old residue 76 adding: *809* *76* *Pro* *HB2* *H* *2.434* *.* *2* old residue 76 adding: *810* *76* *Pro* *HB3* *H* *1.823* *.* *2* old residue 76 adding: *811* *76* *Pro* *HG2* *H* *2.235* *.* *2* old residue 76 adding: *812* *76* *Pro* *HG3* *H* *2.067* *.* *2* old residue 76 adding: *813* *76* *Pro* *HD2* *H* *3.771* *.* *2* old residue 76 adding: *814* *76* *Pro* *HD3* *H* *3.487* *.* *2* old residue 76 adding: *815* *76* *Pro* *C* *C* *180.268* *.* *1* old residue 76 adding: *816* *76* *Pro* *CA* *C* *66.204* *.* *1* old residue 76 adding: *817* *76* *Pro* *CB* *C* *31.224* *.* *1* old residue 76 adding: *818* *76* *Pro* *CG* *C* *28.727* *.* *1* old residue 76 adding: *819* *76* *Pro* *CD* *C* *50.483* *.* *1* new residue 77 adding: *820* *77* *Lys* *H* *H* *6.904* *.* *1* old residue 77 adding: *821* *77* *Lys* *HA* *H* *4.158* *.* *1* old residue 77 adding: *822* *77* *Lys* *HB2* *H* *2.237* *.* *2* old residue 77 adding: *823* *77* *Lys* *HB3* *H* *1.970* *.* *2* old residue 77 adding: *824* *77* *Lys* *HG2* *H* *1.756* *.* *2* old residue 77 adding: *825* *77* *Lys* *HG3* *H* *1.512* *.* *2* old residue 77 adding: *826* *77* *Lys* *HD2* *H* *1.824* *.* *2* old residue 77 adding: *827* *77* *Lys* *HD3* *H* *1.835* *.* *2* old residue 77 adding: *828* *77* *Lys* *HE2* *H* *3.062* *.* *2* old residue 77 adding: *829* *77* *Lys* *HE3* *H* *3.059* *.* *2* old residue 77 adding: *830* *77* *Lys* *C* *C* *178.997* *.* *1* old residue 77 adding: *831* *77* *Lys* *CA* *C* *58.950* *.* *1* old residue 77 adding: *832* *77* *Lys* *CB* *C* *33.671* *.* *1* old residue 77 adding: *833* *77* *Lys* *CG* *C* *25.967* *.* *1* old residue 77 adding: *834* *77* *Lys* *CD* *C* *29.728* *.* *1* old residue 77 adding: *835* *77* *Lys* *CE* *C* *42.395* *.* *1* old residue 77 adding: *836* *77* *Lys* *N* *N* *115.740* *.* *1* new residue 78 adding: *837* *78* *Val* *H* *H* *8.054* *.* *1* old residue 78 adding: *838* *78* *Val* *HA* *H* *3.664* *.* *1* old residue 78 adding: *839* *78* *Val* *HB* *H* *2.570* *.* *1* old residue 78 adding: *840* *78* *Val* *HG1* *H* *1.060* *.* *1* old residue 78 adding: *841* *78* *Val* *HG2* *H* *1.174* *.* *1* old residue 78 adding: *842* *78* *Val* *C* *C* *177.851* *.* *1* old residue 78 adding: *843* *78* *Val* *CA* *C* *66.980* *.* *1* old residue 78 adding: *844* *78* *Val* *CB* *C* *31.618* *.* *1* old residue 78 adding: *845* *78* *Val* *CG1* *C* *21.172* *.* *1* old residue 78 adding: *846* *78* *Val* *CG2* *C* *23.651* *.* *1* old residue 78 adding: *847* *78* *Val* *N* *N* *121.351* *.* *1* new residue 79 adding: *848* *79* *Glu* *H* *H* *8.853* *.* *1* old residue 79 adding: *849* *79* *Glu* *HA* *H* *3.968* *.* *1* old residue 79 adding: *850* *79* *Glu* *HB2* *H* *2.095* *.* *2* old residue 79 adding: *851* *79* *Glu* *HB3* *H* *2.126* *.* *2* old residue 79 adding: *852* *79* *Glu* *HG2* *H* *2.446* *.* *2* old residue 79 adding: *853* *79* *Glu* *HG3* *H* *2.040* *.* *2* old residue 79 adding: *854* *79* *Glu* *C* *C* *179.769* *.* *1* old residue 79 adding: *855* *79* *Glu* *CA* *C* *60.369* *.* *1* old residue 79 adding: *856* *79* *Glu* *CB* *C* *29.786* *.* *1* old residue 79 adding: *857* *79* *Glu* *CG* *C* *36.953* *.* *1* old residue 79 adding: *858* *79* *Glu* *N* *N* *117.081* *.* *1* new residue 80 adding: *859* *80* *Ala* *H* *H* *7.603* *.* *1* old residue 80 adding: *860* *80* *Ala* *HA* *H* *4.192* *.* *1* old residue 80 adding: *861* *80* *Ala* *HB* *H* *1.537* *.* *1* old residue 80 adding: *862* *80* *Ala* *C* *C* *179.560* *.* *1* old residue 80 adding: *863* *80* *Ala* *CA* *C* *54.425* *.* *1* old residue 80 adding: *864* *80* *Ala* *CB* *C* *18.257* *.* *1* old residue 80 adding: *865* *80* *Ala* *N* *N* *119.149* *.* *1* new residue 81 adding: *866* *81* *Val* *H* *H* *7.413* *.* *1* old residue 81 adding: *867* *81* *Val* *HA* *H* *3.604* *.* *1* old residue 81 adding: *868* *81* *Val* *HB* *H* *2.179* *.* *1* old residue 81 adding: *869* *81* *Val* *HG1* *H* *0.654* *.* *1* old residue 81 adding: *870* *81* *Val* *HG2* *H* *0.862* *.* *1* old residue 81 adding: *871* *81* *Val* *C* *C* *177.465* *.* *1* old residue 81 adding: *872* *81* *Val* *CA* *C* *65.286* *.* *1* old residue 81 adding: *873* *81* *Val* *CB* *C* *31.278* *.* *1* old residue 81 adding: *874* *81* *Val* *CG1* *C* *21.069* *.* *1* old residue 81 adding: *875* *81* *Val* *CG2* *C* *21.805* *.* *1* old residue 81 adding: *876* *81* *Val* *N* *N* *117.374* *.* *1* new residue 82 adding: *877* *82* *Phe* *H* *H* *7.266* *.* *1* old residue 82 adding: *878* *82* *Phe* *HA* *H* *4.310* *.* *1* old residue 82 adding: *879* *82* *Phe* *HB2* *H* *3.450* *.* *2* old residue 82 adding: *880* *82* *Phe* *HB3* *H* *2.908* *.* *2* old residue 82 adding: *881* *82* *Phe* *HD1* *H* *7.214* *.* *2* old residue 82 adding: *8811* *82* *Phe* *HD2* *H* *7.214* *.* *2* old residue 82 adding: *8812* *82* *Phe* *HE1* *H* *6.767* *.* *2* old residue 82 adding: *8813* *82* *Phe* *HE2* *H* *6.767* *.* *2* old residue 82 adding: *8814* *82* *Phe* *HZ* *H* *6.915* *.* *1* old residue 82 adding: *882* *82* *Phe* *C* *C* *176.057* *.* *1* old residue 82 adding: *883* *82* *Phe* *CA* *C* *59.395* *.* *1* old residue 82 adding: *884* *82* *Phe* *CB* *C* *39.404* *.* *1* old residue 82 adding: *885* *82* *Phe* *CD1* *C* *131.909* *.* *2* old residue 82 adding: *8851* *82* *Phe* *CD2* *C* *131.909* *.* *2* old residue 82 adding: *8852* *82* *Phe* *CE1* *C* *130.240* *.* *2* old residue 82 adding: *8853* *82* *Phe* *CE2* *C* *130.240* *.* *2* old residue 82 adding: *8854* *82* *Phe* *CZ* *C* *128.924* *.* *1* old residue 82 adding: *886* *82* *Phe* *N* *N* *115.771* *.* *1* new residue 83 adding: *887* *83* *Glu* *H* *H* *7.681* *.* *1* old residue 83 adding: *888* *83* *Glu* *HA* *H* *4.321* *.* *1* old residue 83 adding: *889* *83* *Glu* *HB2* *H* *2.187* *.* *2* old residue 83 adding: *890* *83* *Glu* *HB3* *H* *2.050* *.* *2* old residue 83 adding: *891* *83* *Glu* *HG2* *H* *2.350* *.* *2* old residue 83 adding: *892* *83* *Glu* *HG3* *H* *2.350* *.* *2* old residue 83 adding: *893* *83* *Glu* *C* *C* *176.796* *.* *1* old residue 83 adding: *894* *83* *Glu* *CA* *C* *56.783* *.* *1* old residue 83 adding: *895* *83* *Glu* *CB* *C* *30.241* *.* *1* old residue 83 adding: *896* *83* *Glu* *CG* *C* *36.147* *.* *1* old residue 83 adding: *897* *83* *Glu* *N* *N* *119.191* *.* *1* new residue 84 adding: *898* *84* *Leu* *H* *H* *7.903* *.* *1* old residue 84 adding: *899* *84* *Leu* *HA* *H* *4.237* *.* *1* old residue 84 adding: *900* *84* *Leu* *HB2* *H* *1.657* *.* *2* old residue 84 adding: *901* *84* *Leu* *HB3* *H* *1.450* *.* *2* old residue 84 adding: *902* *84* *Leu* *HG* *H* *1.680* *.* *1* old residue 84 adding: *903* *84* *Leu* *HD1* *H* *0.904* *.* *1* old residue 84 adding: *904* *84* *Leu* *HD2* *H* *0.861* *.* *1* old residue 84 adding: *905* *84* *Leu* *C* *C* *177.692* *.* *1* old residue 84 adding: *906* *84* *Leu* *CA* *C* *55.723* *.* *1* old residue 84 adding: *907* *84* *Leu* *CB* *C* *42.338* *.* *1* old residue 84 adding: *908* *84* *Leu* *CG* *C* *26.948* *.* *1* old residue 84 adding: *909* *84* *Leu* *CD1* *C* *24.950* *.* *1* old residue 84 adding: *910* *84* *Leu* *CD2* *C* *23.501* *.* *1* old residue 84 adding: *911* *84* *Leu* *N* *N* *121.583* *.* *1* new residue 85 adding: *912* *85* *Glu* *H* *H* *8.252* *.* *1* old residue 85 adding: *913* *85* *Glu* *HA* *H* *4.123* *.* *1* old residue 85 adding: *914* *85* *Glu* *HB2* *H* *1.934* *.* *2* old residue 85 adding: *915* *85* *Glu* *HB3* *H* *1.934* *.* *2* old residue 85 adding: *916* *85* *Glu* *HG2* *H* *2.175* *.* *2* old residue 85 adding: *917* *85* *Glu* *HG3* *H* *2.175* *.* *2* old residue 85 adding: *918* *85* *Glu* *C* *C* *176.561* *.* *1* old residue 85 adding: *919* *85* *Glu* *CA* *C* *56.980* *.* *1* old residue 85 adding: *920* *85* *Glu* *CB* *C* *30.050* *.* *1* old residue 85 adding: *921* *85* *Glu* *CG* *C* *36.093* *.* *1* old residue 85 adding: *922* *85* *Glu* *N* *N* *120.473* *.* *1* new residue 86 adding: *923* *86* *His* *H* *H* *8.230* *.* *1* old residue 86 adding: *924* *86* *His* *HA* *H* *4.587* *.* *1* old residue 86 adding: *925* *86* *His* *HB2* *H* *3.122* *.* *2* old residue 86 adding: *926* *86* *His* *HB3* *H* *3.127* *.* *2* old residue 86 adding: *927* *86* *His* *C* *C* *173.902* *.* *1* old residue 86 adding: *928* *86* *His* *CA* *C* *56.036* *.* *1* old residue 86 adding: *929* *86* *His* *CB* *C* *29.924* *.* *1* old residue 86 adding: *930* *86* *His* *N* *N* *118.888* *.* *1* new residue 87 adding: *931* *87* *His* *H* *H* *8.163* *.* *1* old residue 87 adding: *932* *87* *His* *HA* *H* *4.412* *.* *1* old residue 87 adding: *933* *87* *His* *CA* *C* *57.230* *.* *1* old residue 87 adding: *934* *87* *His* *CB* *C* *27.970* *.* *1* old residue 87 adding: *935* *87* *His* *N* *N* *125.354* *.* *1* seqcode size is : 87 seqcode: 33 shift counts are : 15 seqcode: 32 shift counts are : 9 seqcode: 63 shift counts are : 11 seqcode: 21 shift counts are : 11 seqcode: 71 shift counts are : 20 seqcode: 7 shift counts are : 8 seqcode: 80 shift counts are : 7 seqcode: 26 shift counts are : 13 seqcode: 18 shift counts are : 9 seqcode: 72 shift counts are : 11 seqcode: 16 shift counts are : 17 seqcode: 44 shift counts are : 8 seqcode: 55 shift counts are : 18 seqcode: 84 shift counts are : 14 seqcode: 74 shift counts are : 11 seqcode: 27 shift counts are : 9 seqcode: 57 shift counts are : 11 seqcode: 61 shift counts are : 14 seqcode: 20 shift counts are : 8 seqcode: 10 shift counts are : 12 seqcode: 31 shift counts are : 16 seqcode: 35 shift counts are : 8 seqcode: 11 shift counts are : 10 seqcode: 78 shift counts are : 11 seqcode: 48 shift counts are : 11 seqcode: 87 shift counts are : 5 seqcode: 77 shift counts are : 17 seqcode: 65 shift counts are : 17 seqcode: 29 shift counts are : 8 seqcode: 50 shift counts are : 6 seqcode: 39 shift counts are : 12 seqcode: 64 shift counts are : 8 seqcode: 58 shift counts are : 11 seqcode: 41 shift counts are : 18 seqcode: 12 shift counts are : 8 seqcode: 15 shift counts are : 13 seqcode: 81 shift counts are : 11 seqcode: 52 shift counts are : 15 seqcode: 60 shift counts are : 18 seqcode: 56 shift counts are : 10 seqcode: 73 shift counts are : 9 seqcode: 66 shift counts are : 11 seqcode: 45 shift counts are : 14 seqcode: 86 shift counts are : 8 seqcode: 76 shift counts are : 12 seqcode: 19 shift counts are : 14 seqcode: 62 shift counts are : 8 seqcode: 54 shift counts are : 14 seqcode: 67 shift counts are : 11 seqcode: 70 shift counts are : 11 seqcode: 68 shift counts are : 8 seqcode: 2 shift counts are : 16 seqcode: 17 shift counts are : 14 seqcode: 1 shift counts are : 9 seqcode: 30 shift counts are : 9 seqcode: 82 shift counts are : 18 seqcode: 25 shift counts are : 6 seqcode: 28 shift counts are : 8 seqcode: 83 shift counts are : 11 seqcode: 75 shift counts are : 13 seqcode: 40 shift counts are : 7 seqcode: 14 shift counts are : 9 seqcode: 69 shift counts are : 7 seqcode: 59 shift counts are : 8 seqcode: 49 shift counts are : 11 seqcode: 24 shift counts are : 11 seqcode: 53 shift counts are : 8 seqcode: 79 shift counts are : 11 seqcode: 22 shift counts are : 8 seqcode: 42 shift counts are : 14 seqcode: 46 shift counts are : 14 seqcode: 23 shift counts are : 14 seqcode: 13 shift counts are : 11 seqcode: 6 shift counts are : 14 seqcode: 85 shift counts are : 11 seqcode: 3 shift counts are : 14 seqcode: 36 shift counts are : 8 seqcode: 9 shift counts are : 8 seqcode: 51 shift counts are : 11 seqcode: 47 shift counts are : 17 seqcode: 8 shift counts are : 11 seqcode: 38 shift counts are : 13 seqcode: 4 shift counts are : 14 seqcode: 34 shift counts are : 11 seqcode: 37 shift counts are : 8 seqcode: 43 shift counts are : 11 seqcode: 5 shift counts are : 8 setting ambig code at 677 for HG2 to 2 setting ambig code at 676 for HG1 to 2 setting ambig code at 910 for HD2 to 2 setting ambig code at 909 for HD1 to 2 setting ambig code at 793 for HG2 to 2 setting ambig code at 792 for HG1 to 2 setting ambig code at 615 for HG2 to 2 setting ambig code at 614 for HG1 to 2 setting ambig code at 846 for HG2 to 2 setting ambig code at 845 for HG1 to 2 setting ambig code at 519 for HG2 to 2 setting ambig code at 518 for HG1 to 2 setting ambig code at 875 for HG2 to 2 setting ambig code at 874 for HG1 to 2 setting ambig code at 214 for HD2 to 2 setting ambig code at 213 for HD1 to 2 setting ambig code at 806 for HD2 to 2 setting ambig code at 805 for HD1 to 2 setting ambig code at 491 for HD2 to 2 setting ambig code at 490 for HD1 to 2 setting ambig code at 547 for HG2 to 2 setting ambig code at 546 for HG1 to 2 setting ambig code at 364 for HG2 to 2 setting ambig code at 363 for HG1 to 2 1 1 MET HA H 3.823 . 1 2 1 MET HB2 H 1.956 . 2 3 1 MET HB3 H 1.976 . 2 4 1 MET HG2 H 2.151 . 2 5 1 MET HG3 H 2.036 . 2 6 1 MET C C 170.978 . 1 7 1 MET CA C 55.193 . 1 8 1 MET CB C 34.019 . 1 9 1 MET CG C 31.136 . 1 10 2 LYS H H 8.560 . 1 11 2 LYS HA H 4.620 . 1 12 2 LYS HB2 H 1.494 . 2 13 2 LYS HB3 H 1.329 . 2 14 2 LYS HG2 H 1.384 . 2 15 2 LYS HG3 H 1.223 . 2 16 2 LYS HD2 H 1.604 . 2 17 2 LYS HD3 H 1.651 . 2 18 2 LYS HE2 H 2.909 . 2 19 2 LYS C C 174.608 . 1 20 2 LYS CA C 54.206 . 1 21 2 LYS CB C 35.916 . 1 22 2 LYS CG C 24.011 . 1 23 2 LYS CD C 29.373 . 1 24 2 LYS CE C 42.086 . 1 25 2 LYS N N 122.783 . 1 26 3 ILE H H 8.373 . 1 27 3 ILE HA H 3.659 . 1 28 3 ILE HB H 1.486 . 1 29 3 ILE HG12 H 0.781 . 2 30 3 ILE HG13 H 0.060 . 2 31 3 ILE HG2 H 0.595 . 1 32 3 ILE HD1 H 0.775 . 1 33 3 ILE C C 176.569 . 1 34 3 ILE CA C 62.565 . 1 35 3 ILE CB C 38.792 . 1 36 3 ILE CG1 C 27.255 . 1 37 3 ILE CG2 C 17.200 . 1 38 3 ILE CD1 C 14.332 . 1 39 3 ILE N N 120.076 . 1 40 4 ILE H H 9.159 . 1 41 4 ILE HA H 4.135 . 1 42 4 ILE HB H 1.613 . 1 43 4 ILE HG12 H 1.164 . 2 44 4 ILE HG13 H 1.025 . 2 45 4 ILE HG2 H 0.802 . 1 46 4 ILE HD1 H 0.640 . 1 47 4 ILE C C 176.194 . 1 48 4 ILE CA C 60.586 . 1 49 4 ILE CB C 37.466 . 1 50 4 ILE CG1 C 26.368 . 1 51 4 ILE CG2 C 16.570 . 1 52 4 ILE CD1 C 10.304 . 1 53 4 ILE N N 127.239 . 1 54 5 SER H H 7.482 . 1 55 5 SER HA H 4.545 . 1 56 5 SER HB2 H 3.784 . 2 57 5 SER HB3 H 3.784 . 2 58 5 SER C C 171.580 . 1 59 5 SER CA C 57.655 . 1 60 5 SER CB C 65.178 . 1 61 5 SER N N 112.465 . 1 62 6 ILE H H 8.402 . 1 63 6 ILE HA H 4.683 . 1 64 6 ILE HB H 1.604 . 1 65 6 ILE HG12 H 1.557 . 2 66 6 ILE HG13 H 0.890 . 2 67 6 ILE HG2 H 0.702 . 1 68 6 ILE HD1 H 0.829 . 1 69 6 ILE C C 175.289 . 1 70 6 ILE CA C 61.373 . 1 71 6 ILE CB C 40.612 . 1 72 6 ILE CG1 C 28.113 . 1 73 6 ILE CG2 C 17.923 . 1 74 6 ILE CD1 C 13.730 . 1 75 6 ILE N N 122.071 . 1 76 7 SER H H 9.201 . 1 77 7 SER HA H 4.814 . 1 78 7 SER HB2 H 3.622 . 2 79 7 SER HB3 H 3.744 . 2 80 7 SER C C 172.681 . 1 81 7 SER CA C 56.896 . 1 82 7 SER CB C 66.053 . 1 83 7 SER N N 121.348 . 1 84 8 GLU H H 8.542 . 1 85 8 GLU HA H 4.669 . 1 86 8 GLU HB2 H 2.113 . 2 87 8 GLU HB3 H 1.938 . 2 88 8 GLU HG2 H 2.241 . 2 89 8 GLU HG3 H 2.241 . 2 90 8 GLU C C 176.388 . 1 91 8 GLU CA C 56.702 . 1 92 8 GLU CB C 30.736 . 1 93 8 GLU CG C 36.787 . 1 94 8 GLU N N 123.371 . 1 95 9 THR H H 8.663 . 1 96 9 THR HA H 4.958 . 1 97 9 THR HB H 4.516 . 1 98 9 THR HG2 H 1.108 . 1 99 9 THR CA C 60.316 . 1 100 9 THR CB C 69.478 . 1 101 9 THR CG2 C 21.130 . 1 102 9 THR N N 112.855 . 1 103 10 PRO HA H 4.376 . 1 104 10 PRO HB2 H 2.465 . 2 105 10 PRO HB3 H 1.842 . 2 106 10 PRO HG2 H 2.072 . 2 107 10 PRO HG3 H 1.915 . 2 108 10 PRO HD2 H 3.839 . 2 109 10 PRO HD3 H 3.643 . 2 110 10 PRO C C 176.126 . 1 111 10 PRO CA C 64.454 . 1 112 10 PRO CB C 32.008 . 1 113 10 PRO CG C 27.971 . 1 114 10 PRO CD C 51.341 . 1 115 11 ASN H H 7.621 . 1 116 11 ASN HA H 4.933 . 1 117 11 ASN HB2 H 2.860 . 2 118 11 ASN HB3 H 2.663 . 2 119 11 ASN HD21 H 7.634 . 1 120 11 ASN HD22 H 6.983 . 1 121 11 ASN CA C 51.559 . 1 122 11 ASN CB C 39.809 . 1 123 11 ASN N N 114.720 . 1 124 11 ASN ND2 N 113.599 . 1 125 12 HIS HA H 4.702 . 1 126 12 HIS HB2 H 3.491 . 2 127 12 HIS HB3 H 3.409 . 2 128 12 HIS C C 175.663 . 1 129 12 HIS CA C 58.463 . 1 130 12 HIS CB C 28.533 . 1 1271 12 HIS HD2 H 7.311 . 1 1301 12 HIS CD2 C 120.513 . 1 131 13 ASN H H 8.511 . 1 132 13 ASN HA H 5.018 . 1 133 13 ASN HB2 H 2.723 . 2 134 13 ASN HB3 H 3.330 . 2 135 13 ASN HD21 H 7.375 . 1 136 13 ASN HD22 H 7.222 . 1 137 13 ASN C C 174.367 . 1 138 13 ASN CA C 53.890 . 1 139 13 ASN CB C 38.854 . 1 140 13 ASN N N 115.359 . 1 141 13 ASN ND2 N 113.227 . 1 142 14 THR H H 8.234 . 1 143 14 THR HA H 5.980 . 1 144 14 THR HB H 3.824 . 1 145 14 THR HG2 H 1.213 . 1 146 14 THR C C 174.278 . 1 147 14 THR CA C 62.729 . 1 148 14 THR CB C 71.595 . 1 149 14 THR CG2 C 22.584 . 1 150 14 THR N N 117.676 . 1 151 15 MET H H 8.994 . 1 152 15 MET HA H 4.868 . 1 153 15 MET HB2 H 1.282 . 2 154 15 MET HB3 H 0.912 . 2 155 15 MET HG2 H 1.282 . 2 156 15 MET HG3 H 1.252 . 2 157 15 MET C C 173.748 . 1 158 15 MET CA C 53.076 . 1 159 15 MET CB C 34.692 . 1 160 15 MET CG C 31.698 . 1 161 15 MET N N 127.785 . 1 1561 15 MET HE H 1.149 . 1 1601 15 MET CE C 15.886 . 1 162 16 LYS H H 8.740 . 1 163 16 LYS HA H 5.017 . 1 164 16 LYS HB2 H 1.347 . 2 165 16 LYS HB3 H 1.672 . 2 166 16 LYS HG2 H 1.058 . 2 167 16 LYS HG3 H 0.877 . 2 168 16 LYS HD2 H 1.087 . 2 169 16 LYS HD3 H 1.087 . 2 170 16 LYS HE2 H 2.033 . 2 171 16 LYS HE3 H 1.431 . 2 172 16 LYS C C 175.183 . 1 173 16 LYS CA C 55.840 . 1 174 16 LYS CB C 34.524 . 1 175 16 LYS CG C 25.371 . 1 176 16 LYS CD C 29.625 . 1 177 16 LYS CE C 41.036 . 1 178 16 LYS N N 125.158 . 1 179 17 ILE H H 9.821 . 1 180 17 ILE HA H 4.738 . 1 181 17 ILE HB H 2.089 . 1 182 17 ILE HG12 H 0.993 . 2 183 17 ILE HG13 H 1.552 . 2 184 17 ILE HG2 H 0.706 . 1 185 17 ILE HD1 H 0.796 . 1 186 17 ILE C C 175.153 . 1 187 17 ILE CA C 60.903 . 1 188 17 ILE CB C 39.202 . 1 189 17 ILE CG1 C 27.425 . 1 190 17 ILE CG2 C 18.505 . 1 191 17 ILE CD1 C 13.630 . 1 192 17 ILE N N 131.726 . 1 193 18 THR H H 9.005 . 1 194 18 THR HA H 4.707 . 1 195 18 THR HB H 4.056 . 1 196 18 THR HG2 H 1.303 . 1 197 18 THR C C 174.158 . 1 198 18 THR CA C 63.777 . 1 199 18 THR CB C 68.945 . 1 200 18 THR CG2 C 21.426 . 1 201 18 THR N N 124.752 . 1 202 19 LEU H H 9.640 . 1 203 19 LEU HA H 5.008 . 1 204 19 LEU HB2 H 1.870 . 2 205 19 LEU HB3 H 1.622 . 2 206 19 LEU HG H 1.816 . 1 207 19 LEU HD1 H 0.871 . 2 208 19 LEU HD2 H 0.339 . 2 209 19 LEU C C 177.145 . 1 210 19 LEU CA C 53.302 . 1 211 19 LEU CB C 45.236 . 1 212 19 LEU CG C 27.274 . 1 213 19 LEU CD1 C 25.636 . 2 214 19 LEU CD2 C 23.644 . 2 215 19 LEU N N 128.781 . 1 216 20 SER H H 8.121 . 1 217 20 SER HA H 4.033 . 1 218 20 SER HB2 H 4.268 . 2 219 20 SER HB3 H 3.584 . 2 220 20 SER C C 173.483 . 1 221 20 SER CA C 59.557 . 1 222 20 SER CB C 63.159 . 1 223 20 SER N N 110.268 . 1 224 21 GLU H H 6.961 . 1 225 21 GLU HA H 4.734 . 1 226 21 GLU HB2 H 1.735 . 2 227 21 GLU HB3 H 2.082 . 2 228 21 GLU HG2 H 2.227 . 2 229 21 GLU HG3 H 2.265 . 2 230 21 GLU C C 174.805 . 1 231 21 GLU CA C 54.655 . 1 232 21 GLU CB C 33.366 . 1 233 21 GLU CG C 36.076 . 1 234 21 GLU N N 118.393 . 1 235 22 SER H H 8.623 . 1 236 22 SER HA H 4.670 . 1 237 22 SER HB2 H 3.678 . 2 238 22 SER HB3 H 3.679 . 2 239 22 SER C C 175.260 . 1 240 22 SER CA C 57.137 . 1 241 22 SER CB C 65.168 . 1 242 22 SER N N 115.935 . 1 243 23 ARG H H 8.191 . 1 244 23 ARG HA H 4.188 . 1 245 23 ARG HB2 H 1.625 . 2 246 23 ARG HB3 H 1.804 . 2 247 23 ARG HG2 H 1.535 . 2 248 23 ARG HG3 H 1.282 . 2 249 23 ARG HD2 H 2.422 . 2 250 23 ARG HD3 H 2.421 . 2 251 23 ARG C C 176.502 . 1 252 23 ARG CA C 56.683 . 1 253 23 ARG CB C 31.369 . 1 254 23 ARG CG C 27.264 . 1 255 23 ARG CD C 41.989 . 1 256 23 ARG N N 123.783 . 1 257 24 GLU H H 8.661 . 1 258 24 GLU HA H 4.203 . 1 259 24 GLU HB2 H 2.084 . 2 260 24 GLU HB3 H 1.987 . 2 261 24 GLU HG2 H 2.269 . 2 262 24 GLU HG3 H 2.269 . 2 263 24 GLU C C 177.273 . 1 264 24 GLU CA C 56.863 . 1 265 24 GLU CB C 29.913 . 1 266 24 GLU CG C 36.206 . 1 267 24 GLU N N 122.151 . 1 268 25 GLY H H 8.463 . 1 269 25 GLY HA2 H 3.981 . 2 270 25 GLY HA3 H 3.989 . 2 271 25 GLY C C 174.562 . 1 272 25 GLY CA C 45.348 . 1 273 25 GLY N N 111.861 . 1 274 26 MET H H 8.661 . 1 275 26 MET HA H 4.681 . 1 276 26 MET HB2 H 2.272 . 2 277 26 MET HB3 H 1.913 . 2 278 26 MET HG2 H 2.646 . 2 279 26 MET HG3 H 2.621 . 2 280 26 MET C C 176.411 . 1 281 26 MET CA C 54.635 . 1 282 26 MET CB C 32.103 . 1 283 26 MET CG C 32.262 . 1 284 26 MET N N 118.985 . 1 2791 26 MET HE H 1.723 . 1 2831 26 MET CE C 17.385 . 1 285 27 THR H H 7.601 . 1 286 27 THR HA H 4.276 . 1 287 27 THR HB H 4.234 . 1 288 27 THR HG2 H 1.233 . 1 289 27 THR C C 173.646 . 1 290 27 THR CA C 62.137 . 1 291 27 THR CB C 70.256 . 1 292 27 THR CG2 C 21.838 . 1 293 27 THR N N 112.356 . 1 294 28 SER H H 8.370 . 1 295 28 SER HA H 4.937 . 1 296 28 SER HB2 H 3.473 . 2 297 28 SER HB3 H 3.530 . 2 298 28 SER C C 172.911 . 1 299 28 SER CA C 56.309 . 1 300 28 SER CB C 67.031 . 1 301 28 SER N N 116.874 . 1 302 29 ASP H H 7.885 . 1 303 29 ASP HA H 4.823 . 1 304 29 ASP HB2 H 1.969 . 2 305 29 ASP HB3 H 1.723 . 2 306 29 ASP C C 173.762 . 1 307 29 ASP CA C 54.208 . 1 308 29 ASP CB C 47.234 . 1 309 29 ASP N N 117.074 . 1 310 30 THR H H 8.189 . 1 311 30 THR HA H 5.123 . 1 312 30 THR HB H 3.917 . 1 313 30 THR HG2 H 1.145 . 1 314 30 THR C C 173.612 . 1 315 30 THR CA C 61.941 . 1 316 30 THR CB C 70.143 . 1 317 30 THR CG2 C 21.130 . 1 318 30 THR N N 115.249 . 1 319 31 TYR H H 9.791 . 1 320 31 TYR HA H 5.153 . 1 321 31 TYR HB2 H 2.881 . 2 322 31 TYR HB3 H 2.635 . 2 323 31 TYR HD1 H 6.928 . 2 324 31 TYR HE1 H 6.727 . 2 325 31 TYR C C 175.531 . 1 326 31 TYR CA C 55.813 . 1 327 31 TYR CB C 41.157 . 1 328 31 TYR CD1 C 133.633 . 2 329 31 TYR CE1 C 117.584 . 2 330 31 TYR N N 127.894 . 1 3231 31 TYR HD2 H 6.928 . 2 3241 31 TYR HE2 H 6.727 . 2 3281 31 TYR CD2 C 133.633 . 2 3291 31 TYR CE2 C 117.584 . 2 331 32 THR H H 9.143 . 1 332 32 THR HA H 4.593 . 1 333 32 THR HB H 4.460 . 1 334 32 THR HG2 H 1.179 . 1 335 32 THR C C 173.565 . 1 336 32 THR CA C 61.611 . 1 337 32 THR CB C 71.109 . 1 338 32 THR CG2 C 22.032 . 1 339 32 THR N N 111.101 . 1 340 33 LYS H H 8.351 . 1 341 33 LYS HA H 4.717 . 1 342 33 LYS HB2 H 1.657 . 2 343 33 LYS HB3 H 1.337 . 2 344 33 LYS HG2 H 1.514 . 2 345 33 LYS HD2 H 1.677 . 2 346 33 LYS HD3 H 1.775 . 2 347 33 LYS HE2 H 2.966 . 2 348 33 LYS C C 174.595 . 1 349 33 LYS CA C 54.424 . 1 350 33 LYS CB C 35.335 . 1 351 33 LYS CG C 23.313 . 1 352 33 LYS CD C 29.126 . 1 353 33 LYS CE C 42.253 . 1 354 33 LYS N N 122.475 . 1 355 34 VAL H H 8.480 . 1 356 34 VAL HA H 3.618 . 1 357 34 VAL HB H 1.799 . 1 358 34 VAL HG1 H 0.714 . 2 359 34 VAL HG2 H 0.914 . 2 360 34 VAL C C 175.796 . 1 361 34 VAL CA C 63.644 . 1 362 34 VAL CB C 31.891 . 1 363 34 VAL CG1 C 21.249 . 2 364 34 VAL CG2 C 22.395 . 2 365 34 VAL N N 122.663 . 1 366 35 ASP H H 7.714 . 1 367 35 ASP HA H 4.705 . 1 368 35 ASP HB2 H 2.535 . 2 369 35 ASP HB3 H 2.194 . 2 370 35 ASP C C 176.718 . 1 371 35 ASP CA C 54.310 . 1 372 35 ASP CB C 46.385 . 1 373 35 ASP N N 125.352 . 1 374 36 ASP H H 9.090 . 1 375 36 ASP HA H 4.341 . 1 376 36 ASP HB2 H 2.686 . 2 377 36 ASP HB3 H 2.684 . 2 378 36 ASP C C 176.050 . 1 379 36 ASP CA C 57.092 . 1 380 36 ASP CB C 40.630 . 1 381 36 ASP N N 128.363 . 1 382 37 SER H H 8.950 . 1 383 37 SER HA H 4.370 . 1 384 37 SER HB2 H 3.945 . 2 385 37 SER HB3 H 4.008 . 2 386 37 SER C C 174.959 . 1 387 37 SER CA C 59.738 . 1 388 37 SER CB C 63.838 . 1 389 37 SER N N 114.863 . 1 390 38 GLN H H 7.631 . 1 391 38 GLN HA H 4.519 . 1 392 38 GLN HB2 H 2.012 . 2 393 38 GLN HB3 H 1.311 . 2 394 38 GLN HG2 H 2.390 . 2 395 38 GLN HG3 H 2.398 . 2 396 38 GLN HE21 H 7.284 . 1 397 38 GLN HE22 H 8.204 . 1 398 38 GLN CA C 53.582 . 1 399 38 GLN CB C 26.372 . 1 400 38 GLN CG C 35.863 . 1 401 38 GLN N N 121.850 . 1 402 38 GLN NE2 N 112.222 . 1 403 39 PRO HA H 4.310 . 1 404 39 PRO HB2 H 2.474 . 2 405 39 PRO HB3 H 1.134 . 2 406 39 PRO HG2 H 2.051 . 2 407 39 PRO HG3 H 1.956 . 2 408 39 PRO HD2 H 3.895 . 2 409 39 PRO HD3 H 2.667 . 2 410 39 PRO C C 177.152 . 1 411 39 PRO CA C 62.492 . 1 412 39 PRO CB C 32.913 . 1 413 39 PRO CG C 27.862 . 1 414 39 PRO CD C 50.001 . 1 415 40 ALA H H 8.729 . 1 416 40 ALA HA H 3.972 . 1 417 40 ALA HB H 1.426 . 1 418 40 ALA C C 179.843 . 1 419 40 ALA CA C 56.013 . 1 420 40 ALA CB C 17.680 . 1 421 40 ALA N N 127.083 . 1 422 41 PHE H H 8.059 . 1 423 41 PHE HA H 4.129 . 1 424 41 PHE HB2 H 2.491 . 2 425 41 PHE HB3 H 2.847 . 2 426 41 PHE HD1 H 7.092 . 2 427 41 PHE C C 175.662 . 1 428 41 PHE CA C 59.819 . 1 429 41 PHE CB C 36.834 . 1 430 41 PHE CD1 C 132.191 . 2 431 41 PHE N N 112.471 . 1 4261 41 PHE HD2 H 7.092 . 2 4262 41 PHE HE1 H 6.749 . 2 4263 41 PHE HE2 H 6.749 . 2 4301 41 PHE CD2 C 132.191 . 2 4302 41 PHE CE1 C 128.727 . 2 4303 41 PHE CE2 C 128.727 . 2 4304 41 PHE CZ C 131.398 . 1 4626 41 PHE HZ H 7.108 . 1 432 42 ILE H H 5.614 . 1 433 42 ILE HA H 3.098 . 1 434 42 ILE HB H 1.563 . 1 435 42 ILE HG12 H 0.310 . 2 436 42 ILE HG13 H -0.078 . 2 437 42 ILE HG2 H -0.131 . 1 438 42 ILE HD1 H 0.166 . 1 439 42 ILE C C 177.110 . 1 440 42 ILE CA C 59.822 . 1 441 42 ILE CB C 34.539 . 1 442 42 ILE CG1 C 24.886 . 1 443 42 ILE CG2 C 16.343 . 1 444 42 ILE CD1 C 9.941 . 1 445 42 ILE N N 120.594 . 1 446 43 ASN H H 7.082 . 1 447 43 ASN HA H 4.223 . 1 448 43 ASN HB2 H 2.484 . 2 449 43 ASN HB3 H 2.761 . 2 450 43 ASN HD21 H 7.386 . 1 451 43 ASN HD22 H 6.898 . 1 452 43 ASN C C 176.972 . 1 453 43 ASN CA C 55.562 . 1 454 43 ASN CB C 37.808 . 1 455 43 ASN N N 117.481 . 1 456 43 ASN ND2 N 114.020 . 1 457 44 ASP H H 8.379 . 1 458 44 ASP HA H 4.247 . 1 459 44 ASP HB2 H 2.500 . 2 460 44 ASP HB3 H 2.567 . 2 461 44 ASP C C 179.368 . 1 462 44 ASP CA C 57.538 . 1 463 44 ASP CB C 40.670 . 1 464 44 ASP N N 117.588 . 1 465 45 ILE H H 7.604 . 1 466 45 ILE HA H 3.687 . 1 467 45 ILE HB H 1.872 . 1 468 45 ILE HG12 H 2.358 . 2 469 45 ILE HG13 H 0.845 . 2 470 45 ILE HG2 H 0.974 . 1 471 45 ILE HD1 H 0.941 . 1 472 45 ILE C C 177.480 . 1 473 45 ILE CA C 65.907 . 1 474 45 ILE CB C 37.886 . 1 475 45 ILE CG1 C 30.284 . 1 476 45 ILE CG2 C 19.491 . 1 477 45 ILE CD1 C 14.733 . 1 478 45 ILE N N 121.473 . 1 479 46 LEU H H 7.863 . 1 480 46 LEU HA H 3.833 . 1 481 46 LEU HB2 H 1.838 . 2 482 46 LEU HB3 H 1.215 . 2 483 46 LEU HG H 1.632 . 1 484 46 LEU HD1 H 0.454 . 2 485 46 LEU HD2 H 0.550 . 2 486 46 LEU C C 178.165 . 1 487 46 LEU CA C 57.080 . 1 488 46 LEU CB C 41.967 . 1 489 46 LEU CG C 26.699 . 1 490 46 LEU CD1 C 27.035 . 2 491 46 LEU CD2 C 22.131 . 2 492 46 LEU N N 118.055 . 1 493 47 LYS H H 7.161 . 1 494 47 LYS HA H 4.044 . 1 495 47 LYS HB2 H 1.987 . 2 496 47 LYS HB3 H 1.732 . 2 497 47 LYS HG2 H 1.725 . 2 498 47 LYS HG3 H 1.357 . 2 499 47 LYS HD2 H 1.581 . 2 500 47 LYS HD3 H 1.709 . 2 501 47 LYS HE2 H 2.803 . 2 502 47 LYS HE3 H 2.792 . 2 503 47 LYS C C 177.017 . 1 504 47 LYS CA C 57.174 . 1 505 47 LYS CB C 33.031 . 1 506 47 LYS CG C 25.683 . 1 507 47 LYS CD C 29.714 . 1 508 47 LYS CE C 42.290 . 1 509 47 LYS N N 116.384 . 1 510 48 VAL H H 7.791 . 1 511 48 VAL HA H 3.626 . 1 512 48 VAL HB H 2.524 . 1 513 48 VAL HG1 H 1.011 . 2 514 48 VAL HG2 H 0.994 . 2 515 48 VAL C C 176.014 . 1 516 48 VAL CA C 63.747 . 1 517 48 VAL CB C 30.987 . 1 518 48 VAL CG1 C 22.915 . 2 519 48 VAL CG2 C 22.383 . 2 520 48 VAL N N 124.655 . 1 521 49 GLU H H 8.569 . 1 522 49 GLU HA H 3.941 . 1 523 49 GLU HB2 H 1.996 . 2 524 49 GLU HB3 H 1.911 . 2 525 49 GLU HG2 H 2.253 . 2 526 49 GLU HG3 H 2.253 . 2 527 49 GLU C C 176.461 . 1 528 49 GLU CA C 58.393 . 1 529 49 GLU CB C 29.169 . 1 530 49 GLU CG C 36.101 . 1 531 49 GLU N N 130.358 . 1 532 50 GLY H H 8.768 . 1 533 50 GLY HA2 H 4.185 . 2 534 50 GLY HA3 H 3.384 . 2 535 50 GLY C C 173.991 . 1 536 50 GLY CA C 44.705 . 1 537 50 GLY N N 114.068 . 1 538 51 VAL H H 7.751 . 1 539 51 VAL HA H 3.768 . 1 540 51 VAL HB H 2.306 . 1 541 51 VAL HG1 H 0.806 . 2 542 51 VAL HG2 H 0.754 . 2 543 51 VAL C C 175.262 . 1 544 51 VAL CA C 64.610 . 1 545 51 VAL CB C 31.534 . 1 546 51 VAL CG1 C 21.719 . 2 547 51 VAL CG2 C 22.636 . 2 548 51 VAL N N 120.498 . 1 549 52 LYS H H 9.379 . 1 550 52 LYS HA H 4.481 . 1 551 52 LYS HB2 H 1.512 . 2 552 52 LYS HB3 H 1.341 . 2 553 52 LYS HG2 H 1.434 . 2 554 52 LYS HG3 H 1.238 . 2 555 52 LYS HD2 H 1.666 . 2 556 52 LYS HE2 H 2.993 . 2 557 52 LYS C C 175.385 . 1 558 52 LYS CA C 57.163 . 1 559 52 LYS CB C 35.786 . 1 560 52 LYS CG C 24.515 . 1 561 52 LYS CD C 29.438 . 1 562 52 LYS CE C 41.825 . 1 563 52 LYS N N 129.475 . 1 564 53 SER H H 7.655 . 1 565 53 SER HA H 4.903 . 1 566 53 SER HB2 H 3.881 . 2 567 53 SER HB3 H 3.767 . 2 568 53 SER C C 172.396 . 1 569 53 SER CA C 57.730 . 1 570 53 SER CB C 64.653 . 1 571 53 SER N N 108.885 . 1 572 54 ILE H H 8.783 . 1 573 54 ILE HA H 5.054 . 1 574 54 ILE HB H 1.846 . 1 575 54 ILE HG12 H 1.660 . 2 576 54 ILE HG13 H 1.062 . 2 577 54 ILE HG2 H 1.021 . 1 578 54 ILE HD1 H 0.886 . 1 579 54 ILE C C 173.244 . 1 580 54 ILE CA C 60.602 . 1 581 54 ILE CB C 44.277 . 1 582 54 ILE CG1 C 27.818 . 1 583 54 ILE CG2 C 18.616 . 1 584 54 ILE CD1 C 18.297 . 1 585 54 ILE N N 119.458 . 1 586 55 PHE H H 9.142 . 1 587 55 PHE HA H 5.598 . 1 588 55 PHE HB2 H 3.256 . 2 589 55 PHE HB3 H 3.159 . 2 590 55 PHE HD1 H 7.333 . 2 591 55 PHE C C 173.761 . 1 592 55 PHE CA C 55.938 . 1 593 55 PHE CB C 41.641 . 1 594 55 PHE CD1 C 131.916 . 2 595 55 PHE N N 129.664 . 1 5901 55 PHE HD2 H 7.333 . 2 5902 55 PHE HE1 H 7.264 . 2 5903 55 PHE HE2 H 7.264 . 2 5904 55 PHE HZ H 6.775 . 1 5941 55 PHE CD2 C 131.916 . 2 5942 55 PHE CE1 C 131.172 . 2 5943 55 PHE CE2 C 131.172 . 2 5944 55 PHE CZ C 130.724 . 1 596 56 HIS H H 8.824 . 1 597 56 HIS HA H 5.531 . 1 598 56 HIS HB2 H 3.239 . 2 599 56 HIS HB3 H 2.670 . 2 600 56 HIS HD2 H 7.256 . 1 601 56 HIS C C 172.379 . 1 602 56 HIS CA C 52.836 . 1 603 56 HIS CB C 37.218 . 1 604 56 HIS CD2 C 118.543 . 1 605 56 HIS N N 129.160 . 1 606 57 VAL H H 8.072 . 1 607 57 VAL HA H 3.774 . 1 608 57 VAL HB H 1.217 . 1 609 57 VAL HG1 H 0.278 . 2 610 57 VAL HG2 H 0.787 . 2 611 57 VAL C C 169.848 . 1 612 57 VAL CA C 60.176 . 1 613 57 VAL CB C 34.140 . 1 614 57 VAL CG1 C 21.368 . 2 615 57 VAL CG2 C 22.132 . 2 616 57 VAL N N 127.671 . 1 617 58 MET H H 9.140 . 1 618 58 MET HA H 3.804 . 1 619 58 MET HB2 H 2.136 . 2 620 58 MET HB3 H 2.212 . 2 621 58 MET HG2 H 2.666 . 2 622 58 MET HG3 H 2.668 . 2 623 58 MET C C 175.156 . 1 624 58 MET CA C 57.730 . 1 625 58 MET CB C 31.555 . 1 626 58 MET CG C 32.834 . 1 627 58 MET N N 119.988 . 1 628 59 ASP H H 8.751 . 1 629 59 ASP HA H 4.938 . 1 630 59 ASP HB2 H 2.431 . 2 631 59 ASP HB3 H 3.354 . 2 632 59 ASP C C 174.038 . 1 633 59 ASP CA C 52.397 . 1 634 59 ASP CB C 39.908 . 1 635 59 ASP N N 122.637 . 1 636 60 PHE H H 8.971 . 1 637 60 PHE HA H 5.885 . 1 638 60 PHE HB2 H 2.981 . 2 639 60 PHE HB3 H 2.938 . 2 640 60 PHE HD1 H 7.217 . 2 641 60 PHE C C 173.686 . 1 642 60 PHE CA C 56.469 . 1 643 60 PHE CB C 42.851 . 1 644 60 PHE CD1 C 133.198 . 2 645 60 PHE N N 115.459 . 1 6401 60 PHE HD2 H 7.217 . 2 6402 60 PHE HE1 H 7.320 . 2 6403 60 PHE HE2 H 7.320 . 2 6404 60 PHE HZ H 7.181 . 2 6441 60 PHE CD2 C 133.198 . 2 6442 60 PHE CE1 C 130.678 . 2 6443 60 PHE CE2 C 130.678 . 2 6444 60 PHE CZ C 129.380 . 1 646 61 ILE H H 8.965 . 1 647 61 ILE HA H 5.780 . 1 648 61 ILE HB H 1.766 . 1 649 61 ILE HG12 H 2.033 . 2 650 61 ILE HG13 H 1.270 . 2 651 61 ILE HG2 H 0.792 . 1 652 61 ILE HD1 H 0.923 . 1 653 61 ILE C C 175.675 . 1 654 61 ILE CA C 58.280 . 1 655 61 ILE CB C 41.093 . 1 656 61 ILE CG1 C 25.725 . 1 657 61 ILE CG2 C 18.323 . 1 658 61 ILE CD1 C 14.183 . 1 659 61 ILE N N 109.286 . 1 660 62 SER H H 9.952 . 1 661 62 SER HA H 5.645 . 1 662 62 SER HB2 H 4.036 . 2 663 62 SER HB3 H 4.036 . 2 664 62 SER C C 175.117 . 1 665 62 SER CA C 56.894 . 1 666 62 SER CB C 64.262 . 1 667 62 SER N N 121.046 . 1 668 63 VAL H H 9.529 . 1 669 63 VAL HA H 4.699 . 1 670 63 VAL HB H 2.243 . 1 671 63 VAL HG1 H 1.170 . 2 672 63 VAL HG2 H 1.139 . 2 673 63 VAL C C 173.893 . 1 674 63 VAL CA C 61.707 . 1 675 63 VAL CB C 34.447 . 1 676 63 VAL CG1 C 22.012 . 2 677 63 VAL CG2 C 22.190 . 2 678 63 VAL N N 129.348 . 1 679 64 ASP H H 9.093 . 1 680 64 ASP HA H 6.215 . 1 681 64 ASP HB2 H 2.429 . 2 682 64 ASP HB3 H 2.828 . 2 683 64 ASP C C 176.649 . 1 684 64 ASP CA C 52.125 . 1 685 64 ASP CB C 41.773 . 1 686 64 ASP N N 127.869 . 1 687 65 LYS H H 9.071 . 1 688 65 LYS HA H 5.210 . 1 689 65 LYS HB2 H 1.118 . 2 690 65 LYS HB3 H 0.449 . 2 691 65 LYS HG2 H 0.968 . 2 692 65 LYS HG3 H 0.746 . 2 693 65 LYS HD2 H 0.173 . 2 694 65 LYS HD3 H -1.016 . 2 695 65 LYS HE2 H 2.639 . 2 696 65 LYS HE3 H 2.643 . 2 697 65 LYS C C 175.936 . 1 698 65 LYS CA C 52.981 . 1 699 65 LYS CB C 34.777 . 1 700 65 LYS CG C 22.321 . 1 701 65 LYS CD C 28.363 . 1 702 65 LYS CE C 42.792 . 1 703 65 LYS N N 120.964 . 1 704 66 GLU H H 8.282 . 1 705 66 GLU HA H 4.143 . 1 706 66 GLU HB2 H 2.186 . 2 707 66 GLU HB3 H 1.609 . 2 708 66 GLU HG2 H 2.300 . 2 709 66 GLU HG3 H 2.051 . 2 710 66 GLU C C 178.756 . 1 711 66 GLU CA C 55.751 . 1 712 66 GLU CB C 30.121 . 1 713 66 GLU CG C 35.198 . 1 714 66 GLU N N 118.741 . 1 715 67 ASN H H 9.071 . 1 716 67 ASN HA H 4.385 . 1 717 67 ASN HB2 H 2.780 . 2 718 67 ASN HB3 H 2.778 . 2 719 67 ASN HD21 H 7.719 . 1 720 67 ASN HD22 H 6.991 . 1 721 67 ASN C C 176.421 . 1 722 67 ASN CA C 56.903 . 1 723 67 ASN CB C 39.018 . 1 724 67 ASN N N 122.060 . 1 725 67 ASN ND2 N 114.356 . 1 726 68 ASP H H 8.322 . 1 727 68 ASP HA H 4.527 . 1 728 68 ASP HB2 H 2.660 . 2 729 68 ASP HB3 H 2.672 . 2 730 68 ASP C C 176.143 . 1 731 68 ASP CA C 53.915 . 1 732 68 ASP CB C 40.124 . 1 733 68 ASP N N 112.268 . 1 734 69 ALA H H 7.131 . 1 735 69 ALA HA H 4.433 . 1 736 69 ALA HB H 1.282 . 1 737 69 ALA C C 175.954 . 1 738 69 ALA CA C 51.014 . 1 739 69 ALA CB C 20.183 . 1 740 69 ALA N N 122.269 . 1 741 70 ASN H H 9.052 . 1 742 70 ASN HA H 5.067 . 1 743 70 ASN HB2 H 2.861 . 2 744 70 ASN HB3 H 2.952 . 2 745 70 ASN HD21 H 7.759 . 1 746 70 ASN HD22 H 7.019 . 1 747 70 ASN C C 176.728 . 1 748 70 ASN CA C 51.256 . 1 749 70 ASN CB C 41.143 . 1 750 70 ASN N N 118.796 . 1 751 70 ASN ND2 N 114.632 . 1 752 71 TRP H H 9.490 . 1 753 71 TRP HA H 4.647 . 1 754 71 TRP HB2 H 3.356 . 2 755 71 TRP HB3 H 3.273 . 2 756 71 TRP HD1 H 7.431 . 1 757 71 TRP HE1 H 9.956 . 1 758 71 TRP C C 177.891 . 1 759 71 TRP CA C 60.624 . 1 760 71 TRP CB C 30.141 . 1 761 71 TRP CD1 C 128.442 . 1 762 71 TRP N N 125.989 . 1 763 71 TRP NE1 N 127.607 . 1 7571 71 TRP HZ2 H 7.494 . 1 7572 71 TRP HH2 H 7.224 . 1 7573 71 TRP HZ3 H 6.690 . 1 7574 71 TRP HE3 H 7.477 . 1 7575 71 TRP CZ2 C 115.95 . 1 7576 71 TRP CH2 C 125.27 . 1 7577 71 TRP CZ3 C 120.358 . 1 7578 71 TRP CE3 C 120.27 . 1 764 72 GLU H H 9.323 . 1 765 72 GLU HA H 4.171 . 1 766 72 GLU HB2 H 2.135 . 2 767 72 GLU HB3 H 2.058 . 2 768 72 GLU HG2 H 2.416 . 2 769 72 GLU HG3 H 2.416 . 2 770 72 GLU C C 177.775 . 1 771 72 GLU CA C 59.758 . 1 772 72 GLU CB C 29.002 . 1 773 72 GLU CG C 36.943 . 1 774 72 GLU N N 117.581 . 1 775 73 THR H H 7.481 . 1 776 73 THR HA H 4.344 . 1 777 73 THR HB H 4.352 . 1 778 73 THR HG2 H 1.274 . 1 779 73 THR C C 176.175 . 1 780 73 THR CA C 63.769 . 1 781 73 THR CB C 69.156 . 1 782 73 THR CG2 C 22.043 . 1 783 73 THR N N 111.273 . 1 784 74 VAL H H 8.012 . 1 785 74 VAL HA H 3.707 . 1 786 74 VAL HB H 1.887 . 1 787 74 VAL HG1 H 0.862 . 2 788 74 VAL HG2 H 0.970 . 2 789 74 VAL C C 177.933 . 1 790 74 VAL CA C 66.293 . 1 791 74 VAL CB C 34.587 . 1 792 74 VAL CG1 C 22.438 . 2 793 74 VAL CG2 C 22.447 . 2 794 74 VAL N N 121.666 . 1 795 75 LEU H H 9.422 . 1 796 75 LEU HA H 4.364 . 1 797 75 LEU HB2 H 2.040 . 2 798 75 LEU HB3 H 2.040 . 2 799 75 LEU HG H 2.041 . 1 800 75 LEU HD1 H 0.868 . 2 801 75 LEU HD2 H 0.845 . 2 802 75 LEU CA C 60.234 . 1 803 75 LEU CB C 39.556 . 1 804 75 LEU CG C 27.248 . 1 805 75 LEU CD1 C 23.644 . 2 806 75 LEU CD2 C 24.254 . 2 807 75 LEU N N 118.983 . 1 808 76 PRO HA H 4.518 . 1 809 76 PRO HB2 H 2.434 . 2 810 76 PRO HB3 H 1.823 . 2 811 76 PRO HG2 H 2.235 . 2 812 76 PRO HG3 H 2.067 . 2 813 76 PRO HD2 H 3.771 . 2 814 76 PRO HD3 H 3.487 . 2 815 76 PRO C C 180.268 . 1 816 76 PRO CA C 66.204 . 1 817 76 PRO CB C 31.224 . 1 818 76 PRO CG C 28.727 . 1 819 76 PRO CD C 50.483 . 1 820 77 LYS H H 6.904 . 1 821 77 LYS HA H 4.158 . 1 822 77 LYS HB2 H 2.237 . 2 823 77 LYS HB3 H 1.970 . 2 824 77 LYS HG2 H 1.756 . 2 825 77 LYS HG3 H 1.512 . 2 826 77 LYS HD2 H 1.824 . 2 827 77 LYS HD3 H 1.835 . 2 828 77 LYS HE2 H 3.062 . 2 829 77 LYS HE3 H 3.059 . 2 830 77 LYS C C 178.997 . 1 831 77 LYS CA C 58.950 . 1 832 77 LYS CB C 33.671 . 1 833 77 LYS CG C 25.967 . 1 834 77 LYS CD C 29.728 . 1 835 77 LYS CE C 42.395 . 1 836 77 LYS N N 115.740 . 1 837 78 VAL H H 8.054 . 1 838 78 VAL HA H 3.664 . 1 839 78 VAL HB H 2.570 . 1 840 78 VAL HG1 H 1.060 . 2 841 78 VAL HG2 H 1.174 . 2 842 78 VAL C C 177.851 . 1 843 78 VAL CA C 66.980 . 1 844 78 VAL CB C 31.618 . 1 845 78 VAL CG1 C 21.172 . 2 846 78 VAL CG2 C 23.651 . 2 847 78 VAL N N 121.351 . 1 848 79 GLU H H 8.853 . 1 849 79 GLU HA H 3.968 . 1 850 79 GLU HB2 H 2.095 . 2 851 79 GLU HB3 H 2.126 . 2 852 79 GLU HG2 H 2.446 . 2 853 79 GLU HG3 H 2.040 . 2 854 79 GLU C C 179.769 . 1 855 79 GLU CA C 60.369 . 1 856 79 GLU CB C 29.786 . 1 857 79 GLU CG C 36.953 . 1 858 79 GLU N N 117.081 . 1 859 80 ALA H H 7.603 . 1 860 80 ALA HA H 4.192 . 1 861 80 ALA HB H 1.537 . 1 862 80 ALA C C 179.560 . 1 863 80 ALA CA C 54.425 . 1 864 80 ALA CB C 18.257 . 1 865 80 ALA N N 119.149 . 1 866 81 VAL H H 7.413 . 1 867 81 VAL HA H 3.604 . 1 868 81 VAL HB H 2.179 . 1 869 81 VAL HG1 H 0.654 . 2 870 81 VAL HG2 H 0.862 . 2 871 81 VAL C C 177.465 . 1 872 81 VAL CA C 65.286 . 1 873 81 VAL CB C 31.278 . 1 874 81 VAL CG1 C 21.069 . 2 875 81 VAL CG2 C 21.805 . 2 876 81 VAL N N 117.374 . 1 877 82 PHE H H 7.266 . 1 878 82 PHE HA H 4.310 . 1 879 82 PHE HB2 H 3.450 . 2 880 82 PHE HB3 H 2.908 . 2 881 82 PHE HD1 H 7.214 . 2 882 82 PHE C C 176.057 . 1 883 82 PHE CA C 59.395 . 1 884 82 PHE CB C 39.404 . 1 885 82 PHE CD1 C 131.909 . 2 886 82 PHE N N 115.771 . 1 8811 82 PHE HD2 H 7.214 . 2 8812 82 PHE HE1 H 6.767 . 2 8813 82 PHE HE2 H 6.767 . 2 8814 82 PHE HZ H 6.915 . 1 8851 82 PHE CD2 C 131.909 . 2 8852 82 PHE CE1 C 130.240 . 2 8853 82 PHE CE2 C 130.240 . 2 8854 82 PHE CZ C 128.924 . 1 887 83 GLU H H 7.681 . 1 888 83 GLU HA H 4.321 . 1 889 83 GLU HB2 H 2.187 . 2 890 83 GLU HB3 H 2.050 . 2 891 83 GLU HG2 H 2.350 . 2 892 83 GLU HG3 H 2.350 . 2 893 83 GLU C C 176.796 . 1 894 83 GLU CA C 56.783 . 1 895 83 GLU CB C 30.241 . 1 896 83 GLU CG C 36.147 . 1 897 83 GLU N N 119.191 . 1 898 84 LEU H H 7.903 . 1 899 84 LEU HA H 4.237 . 1 900 84 LEU HB2 H 1.657 . 2 901 84 LEU HB3 H 1.450 . 2 902 84 LEU HG H 1.680 . 1 903 84 LEU HD1 H 0.904 . 2 904 84 LEU HD2 H 0.861 . 2 905 84 LEU C C 177.692 . 1 906 84 LEU CA C 55.723 . 1 907 84 LEU CB C 42.338 . 1 908 84 LEU CG C 26.948 . 1 909 84 LEU CD1 C 24.950 . 2 910 84 LEU CD2 C 23.501 . 2 911 84 LEU N N 121.583 . 1 912 85 GLU H H 8.252 . 1 913 85 GLU HA H 4.123 . 1 914 85 GLU HB2 H 1.934 . 2 915 85 GLU HB3 H 1.934 . 2 916 85 GLU HG2 H 2.175 . 2 917 85 GLU HG3 H 2.175 . 2 918 85 GLU C C 176.561 . 1 919 85 GLU CA C 56.980 . 1 920 85 GLU CB C 30.050 . 1 921 85 GLU CG C 36.093 . 1 922 85 GLU N N 120.473 . 1 923 86 HIS H H 8.230 . 1 924 86 HIS HA H 4.587 . 1 925 86 HIS HB2 H 3.122 . 2 926 86 HIS HB3 H 3.127 . 2 927 86 HIS C C 173.902 . 1 928 86 HIS CA C 56.036 . 1 929 86 HIS CB C 29.924 . 1 930 86 HIS N N 118.888 . 1 931 87 HIS H H 8.163 . 1 932 87 HIS HA H 4.412 . 1 933 87 HIS CA C 57.230 . 1 934 87 HIS CB C 27.970 . 1 935 87 HIS N N 125.354 . 1 cwd: /data/PSVS/PSVS-v1.4-dev/results/ZR18_R3_em_bcr3 command to execute is: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign -c /data/PSVS/PSVS-v1.4-dev/results/ZR18_R3_em_bcr3/rpf_calc/input/ctrl_file -o rpf_calc -q ZR18_R3_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 c.peaks ...   Doing SimpleMatch for n.peaks ...   Reading ComparePdbFile: ZR18_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: ZR18_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: ZR18_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: ZR18_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: ZR18_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: ZR18_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: ZR18_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: ZR18_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: ZR18_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: ZR18_R3_em_bcr3.pdb.iupac  quality-estimation for c.peaks ...   Doing Recall analysis for c.peaks ...  Doing Precision analysis for c.peaks ...  Doing Recall analysis for c.peaks ...  Doing Precision analysis for c.peaks ... prtSimleMatchPeakAtom for c.peaks ...   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 ...