AS object created. control filepath is: /data/PSVS/PSVS-v1.4-dev/results/HR4694F_NMR_em_bcr3/rpf_calc/input/ctrl_file bmrb: chem_shift.bmrb sequence: HR4694F_NMR_em_bcr3_seq.bmrb parsing bmrb: /data/PSVS/PSVS-v1.4-dev/results/HR4694F_NMR_em_bcr3/rpf_calc/input/chem_shift.bmrb new residue 2 adding: *1* *2* *Met* *H* *H* *8.491* *.* *1* old residue 2 adding: *2* *2* *Met* *HA* *H* *4.786* *.* *1* old residue 2 adding: *3* *2* *Met* *HB2* *H* *2.051* *.* *2* old residue 2 adding: *4* *2* *Met* *HB3* *H* *1.935* *.* *2* old residue 2 adding: *5* *2* *Met* *HG2* *H* *2.629* *.* *2* old residue 2 adding: *6* *2* *Met* *HG3* *H* *2.545* *.* *2* old residue 2 adding: *7* *2* *Met* *C* *C* *174.152* *.* *1* old residue 2 adding: *8* *2* *Met* *CA* *C* *53.578* *.* *1* old residue 2 adding: *9* *2* *Met* *CB* *C* *32.186* *.* *1* old residue 2 adding: *10* *2* *Met* *CG* *C* *32.054* *.* *1* old residue 2 adding: *11* *2* *Met* *N* *N* *123.602* *.* *1* new residue 3 adding: *12* *3* *Pro* *HA* *H* *4.441* *.* *1* old residue 3 adding: *13* *3* *Pro* *HB2* *H* *2.302* *.* *2* old residue 3 adding: *14* *3* *Pro* *HB3* *H* *1.913* *.* *2* old residue 3 adding: *15* *3* *Pro* *HG2* *H* *2.018* *.* *2* old residue 3 adding: *16* *3* *Pro* *HG3* *H* *2.018* *.* *2* old residue 3 adding: *17* *3* *Pro* *HD2* *H* *3.817* *.* *2* old residue 3 adding: *18* *3* *Pro* *HD3* *H* *3.687* *.* *2* old residue 3 adding: *19* *3* *Pro* *C* *C* *176.757* *.* *1* old residue 3 adding: *20* *3* *Pro* *CA* *C* *63.160* *.* *1* old residue 3 adding: *21* *3* *Pro* *CB* *C* *32.145* *.* *1* old residue 3 adding: *22* *3* *Pro* *CG* *C* *27.402* *.* *1* old residue 3 adding: *23* *3* *Pro* *CD* *C* *50.779* *.* *1* new residue 4 adding: *24* *4* *Lys* *H* *H* *8.470* *.* *1* old residue 4 adding: *25* *4* *Lys* *HA* *H* *4.291* *.* *1* old residue 4 adding: *26* *4* *Lys* *HB2* *H* *1.827* *.* *2* old residue 4 adding: *27* *4* *Lys* *HB3* *H* *1.762* *.* *2* old residue 4 adding: *28* *4* *Lys* *HG2* *H* *1.479* *.* *2* old residue 4 adding: *29* *4* *Lys* *HG3* *H* *1.436* *.* *2* old residue 4 adding: *30* *4* *Lys* *HD2* *H* *1.696* *.* *2* old residue 4 adding: *31* *4* *Lys* *HD3* *H* *1.696* *.* *2* old residue 4 adding: *32* *4* *Lys* *HE2* *H* *3.005* *.* *2* old residue 4 adding: *33* *4* *Lys* *HE3* *H* *3.005* *.* *2* old residue 4 adding: *34* *4* *Lys* *C* *C* *176.524* *.* *1* old residue 4 adding: *35* *4* *Lys* *CA* *C* *56.349* *.* *1* old residue 4 adding: *36* *4* *Lys* *CB* *C* *33.093* *.* *1* old residue 4 adding: *37* *4* *Lys* *CG* *C* *24.759* *.* *1* old residue 4 adding: *38* *4* *Lys* *CD* *C* *29.099* *.* *1* old residue 4 adding: *39* *4* *Lys* *CE* *C* *42.181* *.* *1* old residue 4 adding: *40* *4* *Lys* *N* *N* *121.873* *.* *1* new residue 5 adding: *41* *5* *Ser* *H* *H* *8.373* *.* *1* old residue 5 adding: *42* *5* *Ser* *HA* *H* *4.752* *.* *1* old residue 5 adding: *43* *5* *Ser* *HB2* *H* *3.873* *.* *2* old residue 5 adding: *44* *5* *Ser* *HB3* *H* *3.820* *.* *2* old residue 5 adding: *45* *5* *Ser* *C* *C* *172.643* *.* *1* old residue 5 adding: *46* *5* *Ser* *CA* *C* *56.342* *.* *1* old residue 5 adding: *47* *5* *Ser* *CB* *C* *63.368* *.* *1* old residue 5 adding: *48* *5* *Ser* *N* *N* *118.565* *.* *1* new residue 6 adding: *49* *6* *Pro* *HA* *H* *4.441* *.* *1* old residue 6 adding: *50* *6* *Pro* *HB2* *H* *2.302* *.* *2* old residue 6 adding: *51* *6* *Pro* *HB3* *H* *1.913* *.* *2* old residue 6 adding: *52* *6* *Pro* *HG2* *H* *2.018* *.* *2* old residue 6 adding: *53* *6* *Pro* *HG3* *H* *2.018* *.* *2* old residue 6 adding: *54* *6* *Pro* *HD2* *H* *3.829* *.* *2* old residue 6 adding: *55* *6* *Pro* *HD3* *H* *3.724* *.* *2* old residue 6 adding: *56* *6* *Pro* *CA* *C* *63.160* *.* *1* old residue 6 adding: *57* *6* *Pro* *CB* *C* *32.145* *.* *1* old residue 6 adding: *58* *6* *Pro* *CG* *C* *27.402* *.* *1* old residue 6 adding: *59* *6* *Pro* *CD* *C* *50.764* *.* *1* new residue 7 adding: *60* *7* *Gln* *H* *H* *8.467* *.* *1* old residue 7 adding: *61* *7* *Gln* *HA* *H* *4.321* *.* *1* old residue 7 adding: *62* *7* *Gln* *HB2* *H* *1.968* *.* *2* old residue 7 adding: *63* *7* *Gln* *HB3* *H* *2.071* *.* *2* old residue 7 adding: *64* *7* *Gln* *HG2* *H* *2.383* *.* *2* old residue 7 adding: *65* *7* *Gln* *HG3* *H* *2.383* *.* *2* old residue 7 adding: *66* *7* *Gln* *HE21* *H* *7.628* *.* *1* old residue 7 adding: *67* *7* *Gln* *HE22* *H* *6.923* *.* *1* old residue 7 adding: *68* *7* *Gln* *C* *C* *176.000* *.* *1* old residue 7 adding: *69* *7* *Gln* *CA* *C* *55.896* *.* *1* old residue 7 adding: *70* *7* *Gln* *CB* *C* *29.809* *.* *1* old residue 7 adding: *71* *7* *Gln* *CG* *C* *33.888* *.* *1* old residue 7 adding: *72* *7* *Gln* *CD* *C* *180.579* *.* *1* old residue 7 adding: *73* *7* *Gln* *N* *N* *121.100* *.* *1* old residue 7 adding: *74* *7* *Gln* *NE2* *N* *113.215* *.* *1* new residue 8 adding: *75* *8* *Lys* *H* *H* *8.449* *.* *1* old residue 8 adding: *76* *8* *Lys* *HA* *H* *4.571* *.* *1* old residue 8 adding: *77* *8* *Lys* *HB2* *H* *1.820* *.* *2* old residue 8 adding: *78* *8* *Lys* *HB3* *H* *1.697* *.* *2* old residue 8 adding: *79* *8* *Lys* *HG2* *H* *1.506* *.* *2* old residue 8 adding: *80* *8* *Lys* *HG3* *H* *1.418* *.* *2* old residue 8 adding: *81* *8* *Lys* *HD2* *H* *1.686* *.* *2* old residue 8 adding: *82* *8* *Lys* *HD3* *H* *1.686* *.* *2* old residue 8 adding: *83* *8* *Lys* *HE2* *H* *2.982* *.* *2* old residue 8 adding: *84* *8* *Lys* *HE3* *H* *2.982* *.* *2* old residue 8 adding: *85* *8* *Lys* *C* *C* *174.939* *.* *1* old residue 8 adding: *86* *8* *Lys* *CA* *C* *54.291* *.* *1* old residue 8 adding: *87* *8* *Lys* *CB* *C* *32.375* *.* *1* old residue 8 adding: *88* *8* *Lys* *CG* *C* *24.947* *.* *1* old residue 8 adding: *89* *8* *Lys* *CD* *C* *29.150* *.* *1* old residue 8 adding: *90* *8* *Lys* *CE* *C* *42.203* *.* *1* old residue 8 adding: *91* *8* *Lys* *N* *N* *124.303* *.* *1* new residue 9 adding: *92* *9* *Pro* *HA* *H* *4.613* *.* *1* old residue 9 adding: *93* *9* *Pro* *HB2* *H* *2.168* *.* *2* old residue 9 adding: *94* *9* *Pro* *HB3* *H* *2.168* *.* *2* old residue 9 adding: *95* *9* *Pro* *HG2* *H* *2.161* *.* *2* old residue 9 adding: *96* *9* *Pro* *HG3* *H* *2.083* *.* *2* old residue 9 adding: *97* *9* *Pro* *HD2* *H* *3.779* *.* *2* old residue 9 adding: *98* *9* *Pro* *HD3* *H* *3.679* *.* *2* old residue 9 adding: *99* *9* *Pro* *CA* *C* *62.863* *.* *1* old residue 9 adding: *100* *9* *Pro* *CB* *C* *31.149* *.* *1* old residue 9 adding: *101* *9* *Pro* *CG* *C* *27.738* *.* *1* old residue 9 adding: *102* *9* *Pro* *CD* *C* *50.604* *.* *1* new residue 10 adding: *103* *10* *Ile* *H* *H* *8.446* *.* *1* old residue 10 adding: *104* *10* *Ile* *HA* *H* *5.082* *.* *1* old residue 10 adding: *105* *10* *Ile* *HB* *H* *1.761* *.* *1* old residue 10 adding: *106* *10* *Ile* *HG12* *H* *1.327* *.* *2* old residue 10 adding: *107* *10* *Ile* *HG13* *H* *1.058* *.* *2* old residue 10 adding: *108* *10* *Ile* *HG2* *H* *0.748* *.* *1* old residue 10 adding: *109* *10* *Ile* *HD1* *H* *0.769* *.* *1* old residue 10 adding: *110* *10* *Ile* *C* *C* *175.268* *.* *1* old residue 10 adding: *111* *10* *Ile* *CA* *C* *59.453* *.* *1* old residue 10 adding: *112* *10* *Ile* *CB* *C* *44.150* *.* *1* old residue 10 adding: *113* *10* *Ile* *CG1* *C* *25.680* *.* *1* old residue 10 adding: *114* *10* *Ile* *CG2* *C* *19.468* *.* *1* old residue 10 adding: *115* *10* *Ile* *CD1* *C* *14.110* *.* *1* old residue 10 adding: *116* *10* *Ile* *N* *N* *120.376* *.* *1* new residue 11 adding: *117* *11* *Val* *H* *H* *8.857* *.* *1* old residue 11 adding: *118* *11* *Val* *HA* *H* *4.294* *.* *1* old residue 11 adding: *119* *11* *Val* *HB* *H* *1.729* *.* *1* old residue 11 adding: *120* *11* *Val* *HG1* *H* *0.825* *.* *1* old residue 11 adding: *121* *11* *Val* *HG2* *H* *0.774* *.* *1* old residue 11 adding: *122* *11* *Val* *C* *C* *174.969* *.* *1* old residue 11 adding: *123* *11* *Val* *CA* *C* *61.994* *.* *1* old residue 11 adding: *124* *11* *Val* *CB* *C* *35.008* *.* *1* old residue 11 adding: *125* *11* *Val* *CG1* *C* *21.599* *.* *1* old residue 11 adding: *126* *11* *Val* *CG2* *C* *22.143* *.* *1* old residue 11 adding: *127* *11* *Val* *N* *N* *120.623* *.* *1* new residue 12 adding: *128* *12* *Arg* *H* *H* *8.201* *.* *1* old residue 12 adding: *129* *12* *Arg* *HA* *H* *4.553* *.* *1* old residue 12 adding: *130* *12* *Arg* *HB2* *H* *1.790* *.* *2* old residue 12 adding: *131* *12* *Arg* *HB3* *H* *1.756* *.* *2* old residue 12 adding: *132* *12* *Arg* *HG2* *H* *1.607* *.* *2* old residue 12 adding: *133* *12* *Arg* *HG3* *H* *1.467* *.* *2* old residue 12 adding: *134* *12* *Arg* *HD2* *H* *3.176* *.* *2* old residue 12 adding: *135* *12* *Arg* *HD3* *H* *3.176* *.* *2* old residue 12 adding: *136* *12* *Arg* *HE* *H* *7.317* *.* *1* old residue 12 adding: *137* *12* *Arg* *C* *C* *174.582* *.* *1* old residue 12 adding: *138* *12* *Arg* *CA* *C* *56.316* *.* *1* old residue 12 adding: *139* *12* *Arg* *CB* *C* *31.470* *.* *1* old residue 12 adding: *140* *12* *Arg* *CG* *C* *27.999* *.* *1* old residue 12 adding: *141* *12* *Arg* *CD* *C* *43.307* *.* *1* old residue 12 adding: *142* *12* *Arg* *N* *N* *126.163* *.* *1* old residue 12 adding: *143* *12* *Arg* *NE* *N* *84.045* *.* *1* new residue 13 adding: *144* *13* *Val* *H* *H* *8.538* *.* *1* old residue 13 adding: *145* *13* *Val* *HA* *H* *4.636* *.* *1* old residue 13 adding: *146* *13* *Val* *HB* *H* *1.711* *.* *1* old residue 13 adding: *147* *13* *Val* *HG1* *H* *0.633* *.* *1* old residue 13 adding: *148* *13* *Val* *HG2* *H* *0.738* *.* *1* old residue 13 adding: *149* *13* *Val* *C* *C* *174.288* *.* *1* old residue 13 adding: *150* *13* *Val* *CA* *C* *60.982* *.* *1* old residue 13 adding: *151* *13* *Val* *CB* *C* *34.123* *.* *1* old residue 13 adding: *152* *13* *Val* *CG1* *C* *21.750* *.* *1* old residue 13 adding: *153* *13* *Val* *CG2* *C* *21.535* *.* *1* old residue 13 adding: *154* *13* *Val* *N* *N* *122.328* *.* *1* new residue 14 adding: *155* *14* *Phe* *H* *H* *9.131* *.* *1* old residue 14 adding: *156* *14* *Phe* *HA* *H* *4.643* *.* *1* old residue 14 adding: *157* *14* *Phe* *HB2* *H* *3.046* *.* *2* old residue 14 adding: *158* *14* *Phe* *HB3* *H* *2.338* *.* *2* old residue 14 adding: *159* *14* *Phe* *HD1* *H* *6.908* *.* *3* old residue 14 adding: *160* *14* *Phe* *HD2* *H* *6.908* *.* *3* old residue 14 adding: *161* *14* *Phe* *HE1* *H* *7.147* *.* *3* old residue 14 adding: *162* *14* *Phe* *HE2* *H* *7.147* *.* *3* old residue 14 adding: *163* *14* *Phe* *HZ* *H* *7.237* *.* *1* old residue 14 adding: *164* *14* *Phe* *C* *C* *174.495* *.* *1* old residue 14 adding: *165* *14* *Phe* *CA* *C* *57.644* *.* *1* old residue 14 adding: *166* *14* *Phe* *CB* *C* *39.458* *.* *1* old residue 14 adding: *167* *14* *Phe* *CD1* *C* *131.273* *.* *3* old residue 14 adding: *168* *14* *Phe* *CD2* *C* *131.273* *.* *3* old residue 14 adding: *169* *14* *Phe* *CE1* *C* *131.133* *.* *3* old residue 14 adding: *170* *14* *Phe* *CE2* *C* *131.133* *.* *3* old residue 14 adding: *171* *14* *Phe* *CZ* *C* *129.751* *.* *1* old residue 14 adding: *172* *14* *Phe* *N* *N* *127.959* *.* *1* new residue 15 adding: *173* *15* *Leu* *H* *H* *8.556* *.* *1* old residue 15 adding: *174* *15* *Leu* *HA* *H* *4.681* *.* *1* old residue 15 adding: *175* *15* *Leu* *HB2* *H* *1.558* *.* *2* old residue 15 adding: *176* *15* *Leu* *HB3* *H* *1.532* *.* *2* old residue 15 adding: *177* *15* *Leu* *HG* *H* *1.457* *.* *1* old residue 15 adding: *178* *15* *Leu* *HD1* *H* *0.641* *.* *1* old residue 15 adding: *179* *15* *Leu* *HD2* *H* *0.690* *.* *1* old residue 15 adding: *180* *15* *Leu* *CA* *C* *53.088* *.* *1* old residue 15 adding: *181* *15* *Leu* *CB* *C* *41.905* *.* *1* old residue 15 adding: *182* *15* *Leu* *CG* *C* *27.461* *.* *1* old residue 15 adding: *183* *15* *Leu* *CD1* *C* *25.294* *.* *1* old residue 15 adding: *184* *15* *Leu* *CD2* *C* *23.661* *.* *1* old residue 15 adding: *185* *15* *Leu* *N* *N* *124.479* *.* *1* new residue 16 adding: *186* *16* *Pro* *HA* *H* *4.619* *.* *1* old residue 16 adding: *187* *16* *Pro* *HB2* *H* *2.561* *.* *2* old residue 16 adding: *188* *16* *Pro* *HB3* *H* *1.833* *.* *2* old residue 16 adding: *189* *16* *Pro* *HG2* *H* *2.013* *.* *2* old residue 16 adding: *190* *16* *Pro* *HG3* *H* *1.960* *.* *2* old residue 16 adding: *191* *16* *Pro* *HD2* *H* *3.595* *.* *2* old residue 16 adding: *192* *16* *Pro* *HD3* *H* *3.411* *.* *2* old residue 16 adding: *193* *16* *Pro* *CA* *C* *63.772* *.* *1* old residue 16 adding: *194* *16* *Pro* *CB* *C* *32.025* *.* *1* old residue 16 adding: *195* *16* *Pro* *CG* *C* *28.421* *.* *1* old residue 16 adding: *196* *16* *Pro* *CD* *C* *50.255* *.* *1* new residue 17 adding: *197* *17* *Asn* *H* *H* *8.845* *.* *1* old residue 17 adding: *198* *17* *Asn* *HA* *H* *4.482* *.* *1* old residue 17 adding: *199* *17* *Asn* *HB2* *H* *3.010* *.* *2* old residue 17 adding: *200* *17* *Asn* *HB3* *H* *2.956* *.* *2* old residue 17 adding: *201* *17* *Asn* *HD21* *H* *7.624* *.* *1* old residue 17 adding: *202* *17* *Asn* *HD22* *H* *6.905* *.* *1* old residue 17 adding: *203* *17* *Asn* *C* *C* *174.892* *.* *1* old residue 17 adding: *204* *17* *Asn* *CA* *C* *53.998* *.* *1* old residue 17 adding: *205* *17* *Asn* *CB* *C* *37.046* *.* *1* old residue 17 adding: *206* *17* *Asn* *CG* *C* *178.447* *.* *1* old residue 17 adding: *207* *17* *Asn* *ND2* *N* *112.386* *.* *1* new residue 18 adding: *208* *18* *Lys* *H* *H* *8.721* *.* *1* old residue 18 adding: *209* *18* *Lys* *HA* *H* *3.975* *.* *1* old residue 18 adding: *210* *18* *Lys* *HB2* *H* *2.128* *.* *2* old residue 18 adding: *211* *18* *Lys* *HB3* *H* *2.057* *.* *2* old residue 18 adding: *212* *18* *Lys* *HG2* *H* *1.432* *.* *2* old residue 18 adding: *213* *18* *Lys* *HG3* *H* *1.432* *.* *2* old residue 18 adding: *214* *18* *Lys* *HD2* *H* *1.758* *.* *2* old residue 18 adding: *215* *18* *Lys* *HD3* *H* *1.697* *.* *2* old residue 18 adding: *216* *18* *Lys* *HE2* *H* *3.034* *.* *2* old residue 18 adding: *217* *18* *Lys* *HE3* *H* *3.034* *.* *2* old residue 18 adding: *218* *18* *Lys* *C* *C* *175.999* *.* *1* old residue 18 adding: *219* *18* *Lys* *CA* *C* *57.861* *.* *1* old residue 18 adding: *220* *18* *Lys* *CB* *C* *29.331* *.* *1* old residue 18 adding: *221* *18* *Lys* *CG* *C* *25.587* *.* *1* old residue 18 adding: *222* *18* *Lys* *CD* *C* *29.412* *.* *1* old residue 18 adding: *223* *18* *Lys* *CE* *C* *42.343* *.* *1* old residue 18 adding: *224* *18* *Lys* *N* *N* *111.363* *.* *1* new residue 19 adding: *225* *19* *Gln* *H* *H* *7.013* *.* *1* old residue 19 adding: *226* *19* *Gln* *HA* *H* *4.519* *.* *1* old residue 19 adding: *227* *19* *Gln* *HB2* *H* *2.048* *.* *2* old residue 19 adding: *228* *19* *Gln* *HB3* *H* *1.876* *.* *2* old residue 19 adding: *229* *19* *Gln* *HG2* *H* *2.446* *.* *2* old residue 19 adding: *230* *19* *Gln* *HG3* *H* *2.381* *.* *2* old residue 19 adding: *231* *19* *Gln* *HE21* *H* *7.545* *.* *1* old residue 19 adding: *232* *19* *Gln* *HE22* *H* *6.992* *.* *1* old residue 19 adding: *233* *19* *Gln* *C* *C* *175.036* *.* *1* old residue 19 adding: *234* *19* *Gln* *CA* *C* *55.153* *.* *1* old residue 19 adding: *235* *19* *Gln* *CB* *C* *30.170* *.* *1* old residue 19 adding: *236* *19* *Gln* *CG* *C* *34.132* *.* *1* old residue 19 adding: *237* *19* *Gln* *CD* *C* *180.539* *.* *1* old residue 19 adding: *238* *19* *Gln* *N* *N* *117.906* *.* *1* old residue 19 adding: *239* *19* *Gln* *NE2* *N* *113.037* *.* *1* new residue 20 adding: *240* *20* *Arg* *H* *H* *8.649* *.* *1* old residue 20 adding: *241* *20* *Arg* *HA* *H* *5.081* *.* *1* old residue 20 adding: *242* *20* *Arg* *HB2* *H* *1.662* *.* *2* old residue 20 adding: *243* *20* *Arg* *HB3* *H* *1.455* *.* *2* old residue 20 adding: *244* *20* *Arg* *HG2* *H* *1.246* *.* *2* old residue 20 adding: *245* *20* *Arg* *HG3* *H* *1.226* *.* *2* old residue 20 adding: *246* *20* *Arg* *HD2* *H* *2.887* *.* *2* old residue 20 adding: *247* *20* *Arg* *HD3* *H* *2.869* *.* *2* old residue 20 adding: *248* *20* *Arg* *HE* *H* *7.024* *.* *1* old residue 20 adding: *249* *20* *Arg* *C* *C* *175.221* *.* *1* old residue 20 adding: *250* *20* *Arg* *CA* *C* *54.905* *.* *1* old residue 20 adding: *251* *20* *Arg* *CB* *C* *33.543* *.* *1* old residue 20 adding: *252* *20* *Arg* *CG* *C* *26.507* *.* *1* old residue 20 adding: *253* *20* *Arg* *CD* *C* *43.532* *.* *1* old residue 20 adding: *254* *20* *Arg* *N* *N* *121.115* *.* *1* old residue 20 adding: *255* *20* *Arg* *NE* *N* *85.118* *.* *1* new residue 21 adding: *256* *21* *Thr* *H* *H* *8.842* *.* *1* old residue 21 adding: *257* *21* *Thr* *HA* *H* *4.679* *.* *1* old residue 21 adding: *258* *21* *Thr* *HB* *H* *3.980* *.* *1* old residue 21 adding: *259* *21* *Thr* *HG2* *H* *0.843* *.* *1* old residue 21 adding: *260* *21* *Thr* *C* *C* *171.661* *.* *1* old residue 21 adding: *261* *21* *Thr* *CA* *C* *60.211* *.* *1* old residue 21 adding: *262* *21* *Thr* *CB* *C* *69.789* *.* *1* old residue 21 adding: *263* *21* *Thr* *CG2* *C* *18.252* *.* *1* old residue 21 adding: *264* *21* *Thr* *N* *N* *115.825* *.* *1* new residue 22 adding: *265* *22* *Val* *H* *H* *8.222* *.* *1* old residue 22 adding: *266* *22* *Val* *HA* *H* *5.014* *.* *1* old residue 22 adding: *267* *22* *Val* *HB* *H* *1.909* *.* *1* old residue 22 adding: *268* *22* *Val* *HG1* *H* *0.875* *.* *1* old residue 22 adding: *269* *22* *Val* *HG2* *H* *0.854* *.* *1* old residue 22 adding: *270* *22* *Val* *C* *C* *175.212* *.* *1* old residue 22 adding: *271* *22* *Val* *CA* *C* *60.556* *.* *1* old residue 22 adding: *272* *22* *Val* *CB* *C* *35.056* *.* *1* old residue 22 adding: *273* *22* *Val* *CG1* *C* *22.112* *.* *1* old residue 22 adding: *274* *22* *Val* *CG2* *C* *20.537* *.* *1* old residue 22 adding: *275* *22* *Val* *N* *N* *121.686* *.* *1* new residue 23 adding: *276* *23* *Val* *H* *H* *8.635* *.* *1* old residue 23 adding: *277* *23* *Val* *HA* *H* *5.023* *.* *1* old residue 23 adding: *278* *23* *Val* *HB* *H* *2.246* *.* *1* old residue 23 adding: *279* *23* *Val* *HG1* *H* *0.889* *.* *1* old residue 23 adding: *280* *23* *Val* *HG2* *H* *0.690* *.* *1* old residue 23 adding: *281* *23* *Val* *C* *C* *172.475* *.* *1* old residue 23 adding: *282* *23* *Val* *CA* *C* *57.386* *.* *1* old residue 23 adding: *283* *23* *Val* *CB* *C* *33.372* *.* *1* old residue 23 adding: *284* *23* *Val* *CG1* *C* *21.779* *.* *1* old residue 23 adding: *285* *23* *Val* *CG2* *C* *19.020* *.* *1* old residue 23 adding: *286* *23* *Val* *N* *N* *118.521* *.* *1* new residue 24 adding: *287* *24* *Pro* *HA* *H* *4.624* *.* *1* old residue 24 adding: *288* *24* *Pro* *HB2* *H* *2.369* *.* *2* old residue 24 adding: *289* *24* *Pro* *HB3* *H* *1.810* *.* *2* old residue 24 adding: *290* *24* *Pro* *HG2* *H* *2.128* *.* *2* old residue 24 adding: *291* *24* *Pro* *HG3* *H* *2.029* *.* *2* old residue 24 adding: *292* *24* *Pro* *HD2* *H* *3.835* *.* *2* old residue 24 adding: *293* *24* *Pro* *HD3* *H* *3.835* *.* *2* old residue 24 adding: *294* *24* *Pro* *C* *C* *176.404* *.* *1* old residue 24 adding: *295* *24* *Pro* *CA* *C* *62.395* *.* *1* old residue 24 adding: *296* *24* *Pro* *CB* *C* *32.365* *.* *1* old residue 24 adding: *297* *24* *Pro* *CG* *C* *27.602* *.* *1* old residue 24 adding: *298* *24* *Pro* *CD* *C* *50.838* *.* *1* new residue 25 adding: *299* *25* *Ala* *H* *H* *8.135* *.* *1* old residue 25 adding: *300* *25* *Ala* *HA* *H* *4.359* *.* *1* old residue 25 adding: *301* *25* *Ala* *HB* *H* *0.991* *.* *1* old residue 25 adding: *302* *25* *Ala* *C* *C* *174.828* *.* *1* old residue 25 adding: *303* *25* *Ala* *CA* *C* *49.920* *.* *1* old residue 25 adding: *304* *25* *Ala* *CB* *C* *18.831* *.* *1* old residue 25 adding: *305* *25* *Ala* *N* *N* *127.629* *.* *1* new residue 26 adding: *306* *26* *Arg* *H* *H* *6.764* *.* *1* old residue 26 adding: *307* *26* *Arg* *HA* *H* *4.286* *.* *1* old residue 26 adding: *308* *26* *Arg* *HB2* *H* *1.746* *.* *2* old residue 26 adding: *309* *26* *Arg* *HB3* *H* *1.541* *.* *2* old residue 26 adding: *310* *26* *Arg* *HG2* *H* *1.586* *.* *2* old residue 26 adding: *311* *26* *Arg* *HG3* *H* *1.547* *.* *2* old residue 26 adding: *312* *26* *Arg* *HD2* *H* *3.193* *.* *2* old residue 26 adding: *313* *26* *Arg* *HD3* *H* *3.193* *.* *2* old residue 26 adding: *314* *26* *Arg* *HE* *H* *7.229* *.* *1* old residue 26 adding: *315* *26* *Arg* *C* *C* *174.255* *.* *1* old residue 26 adding: *316* *26* *Arg* *CA* *C* *55.289* *.* *1* old residue 26 adding: *317* *26* *Arg* *CB* *C* *31.741* *.* *1* old residue 26 adding: *318* *26* *Arg* *CG* *C* *27.256* *.* *1* old residue 26 adding: *319* *26* *Arg* *CD* *C* *43.433* *.* *1* old residue 26 adding: *320* *26* *Arg* *N* *N* *122.703* *.* *1* old residue 26 adding: *321* *26* *Arg* *NE* *N* *84.704* *.* *1* new residue 27 adding: *322* *27* *Cys* *H* *H* *8.394* *.* *1* old residue 27 adding: *323* *27* *Cys* *HA* *H* *4.465* *.* *1* old residue 27 adding: *324* *27* *Cys* *HB2* *H* *2.928* *.* *2* old residue 27 adding: *325* *27* *Cys* *HB3* *H* *2.879* *.* *2* old residue 27 adding: *326* *27* *Cys* *C* *C* *175.947* *.* *1* old residue 27 adding: *327* *27* *Cys* *CA* *C* *59.603* *.* *1* old residue 27 adding: *328* *27* *Cys* *CB* *C* *27.145* *.* *1* old residue 27 adding: *329* *27* *Cys* *N* *N* *121.473* *.* *1* new residue 28 adding: *330* *28* *Gly* *H* *H* *9.708* *.* *1* old residue 28 adding: *331* *28* *Gly* *HA2* *H* *4.184* *.* *2* old residue 28 adding: *332* *28* *Gly* *HA3* *H* *3.566* *.* *2* old residue 28 adding: *333* *28* *Gly* *C* *C* *173.477* *.* *1* old residue 28 adding: *334* *28* *Gly* *CA* *C* *45.150* *.* *1* old residue 28 adding: *335* *28* *Gly* *N* *N* *115.769* *.* *1* new residue 29 adding: *336* *29* *Val* *H* *H* *7.422* *.* *1* old residue 29 adding: *337* *29* *Val* *HA* *H* *4.493* *.* *1* old residue 29 adding: *338* *29* *Val* *HB* *H* *2.009* *.* *1* old residue 29 adding: *339* *29* *Val* *HG1* *H* *1.097* *.* *1* old residue 29 adding: *340* *29* *Val* *HG2* *H* *0.789* *.* *1* old residue 29 adding: *341* *29* *Val* *C* *C* *175.393* *.* *1* old residue 29 adding: *342* *29* *Val* *CA* *C* *60.718* *.* *1* old residue 29 adding: *343* *29* *Val* *CB* *C* *33.122* *.* *1* old residue 29 adding: *344* *29* *Val* *CG1* *C* *21.627* *.* *1* old residue 29 adding: *345* *29* *Val* *CG2* *C* *21.789* *.* *1* old residue 29 adding: *346* *29* *Val* *N* *N* *122.075* *.* *1* new residue 30 adding: *347* *30* *Thr* *H* *H* *8.853* *.* *1* old residue 30 adding: *348* *30* *Thr* *HA* *H* *4.823* *.* *1* old residue 30 adding: *349* *30* *Thr* *HB* *H* *4.905* *.* *1* old residue 30 adding: *350* *30* *Thr* *HG2* *H* *1.335* *.* *1* old residue 30 adding: *351* *30* *Thr* *C* *C* *178.293* *.* *1* old residue 30 adding: *352* *30* *Thr* *CA* *C* *61.519* *.* *1* old residue 30 adding: *353* *30* *Thr* *CB* *C* *72.284* *.* *1* old residue 30 adding: *354* *30* *Thr* *CG2* *C* *22.305* *.* *1* old residue 30 adding: *355* *30* *Thr* *N* *N* *116.161* *.* *1* new residue 31 adding: *356* *31* *Val* *H* *H* *8.840* *.* *1* old residue 31 adding: *357* *31* *Val* *HA* *H* *3.520* *.* *1* old residue 31 adding: *358* *31* *Val* *HB* *H* *2.333* *.* *1* old residue 31 adding: *359* *31* *Val* *HG1* *H* *0.832* *.* *1* old residue 31 adding: *360* *31* *Val* *HG2* *H* *0.835* *.* *1* old residue 31 adding: *361* *31* *Val* *C* *C* *178.082* *.* *1* old residue 31 adding: *362* *31* *Val* *CA* *C* *67.928* *.* *1* old residue 31 adding: *363* *31* *Val* *CB* *C* *31.665* *.* *1* old residue 31 adding: *364* *31* *Val* *CG1* *C* *22.329* *.* *1* old residue 31 adding: *365* *31* *Val* *CG2* *C* *23.534* *.* *1* old residue 31 adding: *366* *31* *Val* *N* *N* *124.622* *.* *1* new residue 32 adding: *367* *32* *Arg* *H* *H* *8.901* *.* *1* old residue 32 adding: *368* *32* *Arg* *HA* *H* *4.065* *.* *1* old residue 32 adding: *369* *32* *Arg* *HB2* *H* *1.834* *.* *2* old residue 32 adding: *370* *32* *Arg* *HB3* *H* *2.152* *.* *2* old residue 32 adding: *371* *32* *Arg* *HG2* *H* *1.295* *.* *2* old residue 32 adding: *372* *32* *Arg* *HG3* *H* *1.021* *.* *2* old residue 32 adding: *373* *32* *Arg* *HD2* *H* *3.149* *.* *2* old residue 32 adding: *374* *32* *Arg* *HD3* *H* *3.014* *.* *2* old residue 32 adding: *375* *32* *Arg* *HE* *H* *7.665* *.* *1* old residue 32 adding: *376* *32* *Arg* *C* *C* *177.717* *.* *1* old residue 32 adding: *377* *32* *Arg* *CA* *C* *60.633* *.* *1* old residue 32 adding: *378* *32* *Arg* *CB* *C* *30.855* *.* *1* old residue 32 adding: *379* *32* *Arg* *CG* *C* *26.916* *.* *1* old residue 32 adding: *380* *32* *Arg* *CD* *C* *43.155* *.* *1* old residue 32 adding: *381* *32* *Arg* *N* *N* *119.002* *.* *1* old residue 32 adding: *382* *32* *Arg* *NE* *N* *82.998* *.* *1* new residue 33 adding: *383* *33* *Asp* *H* *H* *8.173* *.* *1* old residue 33 adding: *384* *33* *Asp* *HA* *H* *4.453* *.* *1* old residue 33 adding: *385* *33* *Asp* *HB2* *H* *2.659* *.* *2* old residue 33 adding: *386* *33* *Asp* *HB3* *H* *2.766* *.* *2* old residue 33 adding: *387* *33* *Asp* *C* *C* *179.428* *.* *1* old residue 33 adding: *388* *33* *Asp* *CA* *C* *57.387* *.* *1* old residue 33 adding: *389* *33* *Asp* *CB* *C* *39.873* *.* *1* old residue 33 adding: *390* *33* *Asp* *N* *N* *118.300* *.* *1* new residue 34 adding: *391* *34* *Ser* *H* *H* *8.559* *.* *1* old residue 34 adding: *392* *34* *Ser* *HA* *H* *4.305* *.* *1* old residue 34 adding: *393* *34* *Ser* *HB2* *H* *3.711* *.* *2* old residue 34 adding: *394* *34* *Ser* *HB3* *H* *4.178* *.* *2* old residue 34 adding: *395* *34* *Ser* *C* *C* *175.403* *.* *1* old residue 34 adding: *396* *34* *Ser* *CA* *C* *61.740* *.* *1* old residue 34 adding: *397* *34* *Ser* *CB* *C* *63.328* *.* *1* old residue 34 adding: *398* *34* *Ser* *N* *N* *116.587* *.* *1* new residue 35 adding: *399* *35* *Leu* *H* *H* *7.855* *.* *1* old residue 35 adding: *400* *35* *Leu* *HA* *H* *4.506* *.* *1* old residue 35 adding: *401* *35* *Leu* *HB2* *H* *1.915* *.* *2* old residue 35 adding: *402* *35* *Leu* *HB3* *H* *1.699* *.* *2* old residue 35 adding: *403* *35* *Leu* *HG* *H* *1.801* *.* *1* old residue 35 adding: *404* *35* *Leu* *HD1* *H* *0.821* *.* *1* old residue 35 adding: *405* *35* *Leu* *HD2* *H* *0.770* *.* *1* old residue 35 adding: *406* *35* *Leu* *C* *C* *176.932* *.* *1* old residue 35 adding: *407* *35* *Leu* *CA* *C* *55.358* *.* *1* old residue 35 adding: *408* *35* *Leu* *CB* *C* *43.236* *.* *1* old residue 35 adding: *409* *35* *Leu* *CG* *C* *28.482* *.* *1* old residue 35 adding: *410* *35* *Leu* *CD1* *C* *25.278* *.* *1* old residue 35 adding: *411* *35* *Leu* *CD2* *C* *24.446* *.* *1* old residue 35 adding: *412* *35* *Leu* *N* *N* *118.396* *.* *1* new residue 36 adding: *413* *36* *Lys* *H* *H* *7.750* *.* *1* old residue 36 adding: *414* *36* *Lys* *HA* *H* *3.727* *.* *1* old residue 36 adding: *415* *36* *Lys* *HB2* *H* *2.027* *.* *2* old residue 36 adding: *416* *36* *Lys* *HB3* *H* *1.886* *.* *2* old residue 36 adding: *417* *36* *Lys* *HG2* *H* *1.463* *.* *2* old residue 36 adding: *418* *36* *Lys* *HG3* *H* *1.396* *.* *2* old residue 36 adding: *419* *36* *Lys* *HD2* *H* *1.674* *.* *2* old residue 36 adding: *420* *36* *Lys* *HD3* *H* *1.674* *.* *2* old residue 36 adding: *421* *36* *Lys* *HE2* *H* *2.971* *.* *2* old residue 36 adding: *422* *36* *Lys* *HE3* *H* *2.971* *.* *2* old residue 36 adding: *423* *36* *Lys* *C* *C* *177.764* *.* *1* old residue 36 adding: *424* *36* *Lys* *CA* *C* *61.723* *.* *1* old residue 36 adding: *425* *36* *Lys* *CB* *C* *32.110* *.* *1* old residue 36 adding: *426* *36* *Lys* *CG* *C* *24.512* *.* *1* old residue 36 adding: *427* *36* *Lys* *CD* *C* *29.799* *.* *1* old residue 36 adding: *428* *36* *Lys* *CE* *C* *42.115* *.* *1* old residue 36 adding: *429* *36* *Lys* *N* *N* *120.105* *.* *1* new residue 37 adding: *430* *37* *Lys* *H* *H* *8.619* *.* *1* old residue 37 adding: *431* *37* *Lys* *HA* *H* *4.074* *.* *1* old residue 37 adding: *432* *37* *Lys* *HB2* *H* *1.862* *.* *2* old residue 37 adding: *433* *37* *Lys* *HB3* *H* *1.862* *.* *2* old residue 37 adding: *434* *37* *Lys* *HG2* *H* *1.516* *.* *2* old residue 37 adding: *435* *37* *Lys* *HG3* *H* *1.420* *.* *2* old residue 37 adding: *436* *37* *Lys* *HD2* *H* *1.727* *.* *2* old residue 37 adding: *437* *37* *Lys* *HD3* *H* *1.727* *.* *2* old residue 37 adding: *438* *37* *Lys* *HE2* *H* *3.023* *.* *2* old residue 37 adding: *439* *37* *Lys* *HE3* *H* *3.022* *.* *2* old residue 37 adding: *440* *37* *Lys* *C* *C* *178.165* *.* *1* old residue 37 adding: *441* *37* *Lys* *CA* *C* *60.113* *.* *1* old residue 37 adding: *442* *37* *Lys* *CB* *C* *31.815* *.* *1* old residue 37 adding: *443* *37* *Lys* *CG* *C* *25.264* *.* *1* old residue 37 adding: *444* *37* *Lys* *CD* *C* *29.290* *.* *1* old residue 37 adding: *445* *37* *Lys* *CE* *C* *42.184* *.* *1* old residue 37 adding: *446* *37* *Lys* *N* *N* *120.459* *.* *1* new residue 38 adding: *447* *38* *Ala* *H* *H* *8.383* *.* *1* old residue 38 adding: *448* *38* *Ala* *HA* *H* *4.028* *.* *1* old residue 38 adding: *449* *38* *Ala* *HB* *H* *1.378* *.* *1* old residue 38 adding: *450* *38* *Ala* *C* *C* *180.924* *.* *1* old residue 38 adding: *451* *38* *Ala* *CA* *C* *54.775* *.* *1* old residue 38 adding: *452* *38* *Ala* *CB* *C* *17.523* *.* *1* old residue 38 adding: *453* *38* *Ala* *N* *N* *122.321* *.* *1* new residue 39 adding: *454* *39* *Leu* *H* *H* *8.176* *.* *1* old residue 39 adding: *455* *39* *Leu* *HA* *H* *3.956* *.* *1* old residue 39 adding: *456* *39* *Leu* *HB2* *H* *1.347* *.* *2* old residue 39 adding: *457* *39* *Leu* *HB3* *H* *1.690* *.* *2* old residue 39 adding: *458* *39* *Leu* *HG* *H* *1.839* *.* *1* old residue 39 adding: *459* *39* *Leu* *HD1* *H* *0.759* *.* *1* old residue 39 adding: *460* *39* *Leu* *HD2* *H* *0.763* *.* *1* old residue 39 adding: *461* *39* *Leu* *C* *C* *179.359* *.* *1* old residue 39 adding: *462* *39* *Leu* *CA* *C* *58.131* *.* *1* old residue 39 adding: *463* *39* *Leu* *CB* *C* *40.133* *.* *1* old residue 39 adding: *464* *39* *Leu* *CG* *C* *27.593* *.* *1* old residue 39 adding: *465* *39* *Leu* *CD1* *C* *25.778* *.* *1* old residue 39 adding: *466* *39* *Leu* *CD2* *C* *23.700* *.* *1* old residue 39 adding: *467* *39* *Leu* *N* *N* *115.747* *.* *1* new residue 40 adding: *468* *40* *Met* *H* *H* *8.535* *.* *1* old residue 40 adding: *469* *40* *Met* *HA* *H* *4.359* *.* *1* old residue 40 adding: *470* *40* *Met* *HB2* *H* *2.258* *.* *2* old residue 40 adding: *471* *40* *Met* *HB3* *H* *2.257* *.* *2* old residue 40 adding: *472* *40* *Met* *HG2* *H* *2.759* *.* *2* old residue 40 adding: *473* *40* *Met* *HG3* *H* *2.653* *.* *2* old residue 40 adding: *474* *40* *Met* *C* *C* *180.715* *.* *1* old residue 40 adding: *475* *40* *Met* *CA* *C* *59.081* *.* *1* old residue 40 adding: *476* *40* *Met* *CB* *C* *31.992* *.* *1* old residue 40 adding: *477* *40* *Met* *CG* *C* *32.180* *.* *1* old residue 40 adding: *478* *40* *Met* *N* *N* *121.675* *.* *1* new residue 41 adding: *479* *41* *Met* *H* *H* *8.228* *.* *1* old residue 41 adding: *480* *41* *Met* *HA* *H* *4.290* *.* *1* old residue 41 adding: *481* *41* *Met* *HB2* *H* *2.191* *.* *2* old residue 41 adding: *482* *41* *Met* *HB3* *H* *2.191* *.* *2* old residue 41 adding: *483* *41* *Met* *HG2* *H* *2.736* *.* *2* old residue 41 adding: *484* *41* *Met* *HG3* *H* *2.736* *.* *2* old residue 41 adding: *485* *41* *Met* *C* *C* *176.885* *.* *1* old residue 41 adding: *486* *41* *Met* *CA* *C* *57.999* *.* *1* old residue 41 adding: *487* *41* *Met* *CB* *C* *32.609* *.* *1* old residue 41 adding: *488* *41* *Met* *CG* *C* *31.984* *.* *1* old residue 41 adding: *489* *41* *Met* *N* *N* *118.534* *.* *1* new residue 42 adding: *490* *42* *Arg* *H* *H* *7.355* *.* *1* old residue 42 adding: *491* *42* *Arg* *HA* *H* *4.517* *.* *1* old residue 42 adding: *492* *42* *Arg* *HB2* *H* *2.254* *.* *2* old residue 42 adding: *493* *42* *Arg* *HB3* *H* *1.571* *.* *2* old residue 42 adding: *494* *42* *Arg* *HG2* *H* *1.716* *.* *2* old residue 42 adding: *495* *42* *Arg* *HG3* *H* *1.699* *.* *2* old residue 42 adding: *496* *42* *Arg* *HD2* *H* *3.184* *.* *2* old residue 42 adding: *497* *42* *Arg* *HD3* *H* *3.078* *.* *2* old residue 42 adding: *498* *42* *Arg* *HE* *H* *7.425* *.* *1* old residue 42 adding: *499* *42* *Arg* *C* *C* *175.797* *.* *1* old residue 42 adding: *500* *42* *Arg* *CA* *C* *54.857* *.* *1* old residue 42 adding: *501* *42* *Arg* *CB* *C* *30.349* *.* *1* old residue 42 adding: *502* *42* *Arg* *CG* *C* *27.829* *.* *1* old residue 42 adding: *503* *42* *Arg* *CD* *C* *43.198* *.* *1* old residue 42 adding: *504* *42* *Arg* *N* *N* *117.164* *.* *1* old residue 42 adding: *505* *42* *Arg* *NE* *N* *85.135* *.* *1* new residue 43 adding: *506* *43* *Gly* *H* *H* *7.891* *.* *1* old residue 43 adding: *507* *43* *Gly* *HA2* *H* *4.023* *.* *2* old residue 43 adding: *508* *43* *Gly* *HA3* *H* *3.822* *.* *2* old residue 43 adding: *509* *43* *Gly* *C* *C* *173.886* *.* *1* old residue 43 adding: *510* *43* *Gly* *CA* *C* *46.206* *.* *1* old residue 43 adding: *511* *43* *Gly* *N* *N* *108.207* *.* *1* new residue 44 adding: *512* *44* *Leu* *H* *H* *7.880* *.* *1* old residue 44 adding: *513* *44* *Leu* *HA* *H* *4.665* *.* *1* old residue 44 adding: *514* *44* *Leu* *HB2* *H* *1.030* *.* *2* old residue 44 adding: *515* *44* *Leu* *HB3* *H* *1.538* *.* *2* old residue 44 adding: *516* *44* *Leu* *HG* *H* *1.480* *.* *1* old residue 44 adding: *517* *44* *Leu* *HD1* *H* *0.790* *.* *1* old residue 44 adding: *518* *44* *Leu* *HD2* *H* *0.823* *.* *1* old residue 44 adding: *519* *44* *Leu* *C* *C* *175.231* *.* *1* old residue 44 adding: *520* *44* *Leu* *CA* *C* *53.087* *.* *1* old residue 44 adding: *521* *44* *Leu* *CB* *C* *44.999* *.* *1* old residue 44 adding: *522* *44* *Leu* *CG* *C* *26.754* *.* *1* old residue 44 adding: *523* *44* *Leu* *CD1* *C* *25.812* *.* *1* old residue 44 adding: *524* *44* *Leu* *CD2* *C* *23.174* *.* *1* old residue 44 adding: *525* *44* *Leu* *N* *N* *120.153* *.* *1* new residue 45 adding: *526* *45* *Ile* *H* *H* *7.645* *.* *1* old residue 45 adding: *527* *45* *Ile* *HA* *H* *4.642* *.* *1* old residue 45 adding: *528* *45* *Ile* *HB* *H* *1.975* *.* *1* old residue 45 adding: *529* *45* *Ile* *HG12* *H* *1.350* *.* *2* old residue 45 adding: *530* *45* *Ile* *HG13* *H* *1.186* *.* *2* old residue 45 adding: *531* *45* *Ile* *HG2* *H* *0.929* *.* *1* old residue 45 adding: *532* *45* *Ile* *HD1* *H* *0.875* *.* *1* old residue 45 adding: *533* *45* *Ile* *CA* *C* *57.842* *.* *1* old residue 45 adding: *534* *45* *Ile* *CB* *C* *39.348* *.* *1* old residue 45 adding: *535* *45* *Ile* *CG1* *C* *26.257* *.* *1* old residue 45 adding: *536* *45* *Ile* *CG2* *C* *18.172* *.* *1* old residue 45 adding: *537* *45* *Ile* *CD1* *C* *13.082* *.* *1* old residue 45 adding: *538* *45* *Ile* *N* *N* *115.941* *.* *1* new residue 46 adding: *539* *46* *Pro* *HA* *H* *3.394* *.* *1* old residue 46 adding: *540* *46* *Pro* *HB2* *H* *1.020* *.* *2* old residue 46 adding: *541* *46* *Pro* *HB3* *H* *0.316* *.* *2* old residue 46 adding: *542* *46* *Pro* *HG2* *H* *1.782* *.* *2* old residue 46 adding: *543* *46* *Pro* *HG3* *H* *1.225* *.* *2* old residue 46 adding: *544* *46* *Pro* *HD2* *H* *3.811* *.* *2* old residue 46 adding: *545* *46* *Pro* *HD3* *H* *3.692* *.* *2* old residue 46 adding: *546* *46* *Pro* *C* *C* *176.814* *.* *1* old residue 46 adding: *547* *46* *Pro* *CA* *C* *66.263* *.* *1* old residue 46 adding: *548* *46* *Pro* *CB* *C* *30.280* *.* *1* old residue 46 adding: *549* *46* *Pro* *CG* *C* *27.417* *.* *1* old residue 46 adding: *550* *46* *Pro* *CD* *C* *50.249* *.* *1* new residue 47 adding: *551* *47* *Glu* *H* *H* *8.708* *.* *1* old residue 47 adding: *552* *47* *Glu* *HA* *H* *4.018* *.* *1* old residue 47 adding: *553* *47* *Glu* *HB2* *H* *2.021* *.* *2* old residue 47 adding: *554* *47* *Glu* *HB3* *H* *1.951* *.* *2* old residue 47 adding: *555* *47* *Glu* *HG2* *H* *2.483* *.* *2* old residue 47 adding: *556* *47* *Glu* *HG3* *H* *2.206* *.* *2* old residue 47 adding: *557* *47* *Glu* *C* *C* *177.336* *.* *1* old residue 47 adding: *558* *47* *Glu* *CA* *C* *59.817* *.* *1* old residue 47 adding: *559* *47* *Glu* *CB* *C* *28.630* *.* *1* old residue 47 adding: *560* *47* *Glu* *CG* *C* *37.631* *.* *1* old residue 47 adding: *561* *47* *Glu* *N* *N* *112.294* *.* *1* new residue 48 adding: *562* *48* *Cys* *H* *H* *7.827* *.* *1* old residue 48 adding: *563* *48* *Cys* *HA* *H* *4.851* *.* *1* old residue 48 adding: *564* *48* *Cys* *HB2* *H* *3.154* *.* *2* old residue 48 adding: *565* *48* *Cys* *HB3* *H* *3.393* *.* *2* old residue 48 adding: *566* *48* *Cys* *C* *C* *173.349* *.* *1* old residue 48 adding: *567* *48* *Cys* *CA* *C* *58.467* *.* *1* old residue 48 adding: *568* *48* *Cys* *CB* *C* *29.102* *.* *1* old residue 48 adding: *569* *48* *Cys* *N* *N* *115.409* *.* *1* new residue 49 adding: *570* *49* *Cys* *H* *H* *8.165* *.* *1* old residue 49 adding: *571* *49* *Cys* *HA* *H* *5.538* *.* *1* old residue 49 adding: *572* *49* *Cys* *HB2* *H* *3.155* *.* *2* old residue 49 adding: *573* *49* *Cys* *HB3* *H* *2.985* *.* *2* old residue 49 adding: *574* *49* *Cys* *C* *C* *172.183* *.* *1* old residue 49 adding: *575* *49* *Cys* *CA* *C* *58.529* *.* *1* old residue 49 adding: *576* *49* *Cys* *CB* *C* *32.891* *.* *1* old residue 49 adding: *577* *49* *Cys* *N* *N* *117.460* *.* *1* new residue 50 adding: *578* *50* *Ala* *H* *H* *9.360* *.* *1* old residue 50 adding: *579* *50* *Ala* *HA* *H* *4.726* *.* *1* old residue 50 adding: *580* *50* *Ala* *HB* *H* *1.435* *.* *1* old residue 50 adding: *581* *50* *Ala* *C* *C* *174.972* *.* *1* old residue 50 adding: *582* *50* *Ala* *CA* *C* *51.161* *.* *1* old residue 50 adding: *583* *50* *Ala* *CB* *C* *22.940* *.* *1* old residue 50 adding: *584* *50* *Ala* *N* *N* *123.560* *.* *1* new residue 51 adding: *585* *51* *Val* *H* *H* *8.100* *.* *1* old residue 51 adding: *586* *51* *Val* *HA* *H* *5.076* *.* *1* old residue 51 adding: *587* *51* *Val* *HB* *H* *1.330* *.* *1* old residue 51 adding: *588* *51* *Val* *HG1* *H* *0.145* *.* *1* old residue 51 adding: *589* *51* *Val* *HG2* *H* *-0.046* *.* *1* old residue 51 adding: *590* *51* *Val* *C* *C* *174.489* *.* *1* old residue 51 adding: *591* *51* *Val* *CA* *C* *59.295* *.* *1* old residue 51 adding: *592* *51* *Val* *CB* *C* *33.390* *.* *1* old residue 51 adding: *593* *51* *Val* *CG1* *C* *20.876* *.* *1* old residue 51 adding: *594* *51* *Val* *CG2* *C* *21.090* *.* *1* old residue 51 adding: *595* *51* *Val* *N* *N* *118.193* *.* *1* new residue 52 adding: *596* *52* *Tyr* *H* *H* *8.821* *.* *1* old residue 52 adding: *597* *52* *Tyr* *HA* *H* *5.253* *.* *1* old residue 52 adding: *598* *52* *Tyr* *HB2* *H* *2.630* *.* *2* old residue 52 adding: *599* *52* *Tyr* *HB3* *H* *2.811* *.* *2* old residue 52 adding: *600* *52* *Tyr* *HD1* *H* *6.595* *.* *3* old residue 52 adding: *601* *52* *Tyr* *HD2* *H* *6.595* *.* *3* old residue 52 adding: *602* *52* *Tyr* *HE1* *H* *6.346* *.* *3* old residue 52 adding: *603* *52* *Tyr* *HE2* *H* *6.346* *.* *3* old residue 52 adding: *604* *52* *Tyr* *C* *C* *173.815* *.* *1* old residue 52 adding: *605* *52* *Tyr* *CA* *C* *56.295* *.* *1* old residue 52 adding: *606* *52* *Tyr* *CB* *C* *41.617* *.* *1* old residue 52 adding: *607* *52* *Tyr* *CD1* *C* *133.600* *.* *3* old residue 52 adding: *608* *52* *Tyr* *CD2* *C* *133.600* *.* *3* old residue 52 adding: *609* *52* *Tyr* *CE1* *C* *117.808* *.* *3* old residue 52 adding: *610* *52* *Tyr* *CE2* *C* *117.808* *.* *3* old residue 52 adding: *611* *52* *Tyr* *N* *N* *121.580* *.* *1* new residue 53 adding: *612* *53* *Arg* *H* *H* *8.955* *.* *1* old residue 53 adding: *613* *53* *Arg* *HA* *H* *5.117* *.* *1* old residue 53 adding: *614* *53* *Arg* *HB2* *H* *1.700* *.* *2* old residue 53 adding: *615* *53* *Arg* *HB3* *H* *2.040* *.* *2* old residue 53 adding: *616* *53* *Arg* *HG2* *H* *1.679* *.* *2* old residue 53 adding: *617* *53* *Arg* *HG3* *H* *1.518* *.* *2* old residue 53 adding: *618* *53* *Arg* *HD2* *H* *3.188* *.* *2* old residue 53 adding: *619* *53* *Arg* *HD3* *H* *2.973* *.* *2* old residue 53 adding: *620* *53* *Arg* *HE* *H* *7.546* *.* *1* old residue 53 adding: *621* *53* *Arg* *C* *C* *174.133* *.* *1* old residue 53 adding: *622* *53* *Arg* *CA* *C* *53.658* *.* *1* old residue 53 adding: *623* *53* *Arg* *CB* *C* *33.590* *.* *1* old residue 53 adding: *624* *53* *Arg* *CG* *C* *26.762* *.* *1* old residue 53 adding: *625* *53* *Arg* *CD* *C* *43.768* *.* *1* old residue 53 adding: *626* *53* *Arg* *N* *N* *118.371* *.* *1* old residue 53 adding: *627* *53* *Arg* *NE* *N* *83.740* *.* *1* new residue 54 adding: *628* *54* *Ile* *H* *H* *9.338* *.* *1* old residue 54 adding: *629* *54* *Ile* *HA* *H* *4.868* *.* *1* old residue 54 adding: *630* *54* *Ile* *HB* *H* *1.733* *.* *1* old residue 54 adding: *631* *54* *Ile* *HG12* *H* *1.216* *.* *2* old residue 54 adding: *632* *54* *Ile* *HG13* *H* *0.871* *.* *2* old residue 54 adding: *633* *54* *Ile* *HG2* *H* *0.635* *.* *1* old residue 54 adding: *634* *54* *Ile* *HD1* *H* *0.424* *.* *1* old residue 54 adding: *635* *54* *Ile* *C* *C* *176.013* *.* *1* old residue 54 adding: *636* *54* *Ile* *CA* *C* *59.844* *.* *1* old residue 54 adding: *637* *54* *Ile* *CB* *C* *37.715* *.* *1* old residue 54 adding: *638* *54* *Ile* *CG1* *C* *27.362* *.* *1* old residue 54 adding: *639* *54* *Ile* *CG2* *C* *16.993* *.* *1* old residue 54 adding: *640* *54* *Ile* *CD1* *C* *11.704* *.* *1* old residue 54 adding: *641* *54* *Ile* *N* *N* *123.486* *.* *1* new residue 55 adding: *642* *55* *Gln* *H* *H* *8.978* *.* *1* old residue 55 adding: *643* *55* *Gln* *HA* *H* *4.646* *.* *1* old residue 55 adding: *644* *55* *Gln* *HB2* *H* *1.885* *.* *2* old residue 55 adding: *645* *55* *Gln* *HB3* *H* *1.804* *.* *2* old residue 55 adding: *646* *55* *Gln* *HG2* *H* *2.279* *.* *2* old residue 55 adding: *647* *55* *Gln* *HG3* *H* *2.226* *.* *2* old residue 55 adding: *648* *55* *Gln* *HE21* *H* *7.657* *.* *1* old residue 55 adding: *649* *55* *Gln* *HE22* *H* *6.875* *.* *1* old residue 55 adding: *650* *55* *Gln* *C* *C* *175.115* *.* *1* old residue 55 adding: *651* *55* *Gln* *CA* *C* *54.800* *.* *1* old residue 55 adding: *652* *55* *Gln* *CB* *C* *31.822* *.* *1* old residue 55 adding: *653* *55* *Gln* *CG* *C* *33.645* *.* *1* old residue 55 adding: *654* *55* *Gln* *CD* *C* *179.709* *.* *1* old residue 55 adding: *655* *55* *Gln* *N* *N* *128.571* *.* *1* old residue 55 adding: *656* *55* *Gln* *NE2* *N* *112.459* *.* *1* new residue 56 adding: *657* *56* *Asp* *H* *H* *9.634* *.* *1* old residue 56 adding: *658* *56* *Asp* *HA* *H* *4.307* *.* *1* old residue 56 adding: *659* *56* *Asp* *HB2* *H* *2.723* *.* *2* old residue 56 adding: *660* *56* *Asp* *HB3* *H* *2.953* *.* *2* old residue 56 adding: *661* *56* *Asp* *C* *C* *175.857* *.* *1* old residue 56 adding: *662* *56* *Asp* *CA* *C* *55.657* *.* *1* old residue 56 adding: *663* *56* *Asp* *CB* *C* *39.421* *.* *1* old residue 56 adding: *664* *56* *Asp* *N* *N* *128.757* *.* *1* new residue 57 adding: *665* *57* *Gly* *H* *H* *8.291* *.* *1* old residue 57 adding: *666* *57* *Gly* *HA2* *H* *4.104* *.* *2* old residue 57 adding: *667* *57* *Gly* *HA3* *H* *3.472* *.* *2* old residue 57 adding: *668* *57* *Gly* *C* *C* *173.507* *.* *1* old residue 57 adding: *669* *57* *Gly* *CA* *C* *45.457* *.* *1* old residue 57 adding: *670* *57* *Gly* *N* *N* *102.770* *.* *1* new residue 58 adding: *671* *58* *Glu* *H* *H* *7.826* *.* *1* old residue 58 adding: *672* *58* *Glu* *HA* *H* *4.552* *.* *1* old residue 58 adding: *673* *58* *Glu* *HB2* *H* *2.026* *.* *2* old residue 58 adding: *674* *58* *Glu* *HB3* *H* *1.955* *.* *2* old residue 58 adding: *675* *58* *Glu* *HG2* *H* *2.321* *.* *2* old residue 58 adding: *676* *58* *Glu* *HG3* *H* *2.197* *.* *2* old residue 58 adding: *677* *58* *Glu* *C* *C* *174.719* *.* *1* old residue 58 adding: *678* *58* *Glu* *CA* *C* *54.379* *.* *1* old residue 58 adding: *679* *58* *Glu* *CB* *C* *31.977* *.* *1* old residue 58 adding: *680* *58* *Glu* *CG* *C* *35.073* *.* *1* old residue 58 adding: *681* *58* *Glu* *N* *N* *120.454* *.* *1* new residue 59 adding: *682* *59* *Lys* *H* *H* *8.585* *.* *1* old residue 59 adding: *683* *59* *Lys* *HA* *H* *4.322* *.* *1* old residue 59 adding: *684* *59* *Lys* *HB2* *H* *1.415* *.* *2* old residue 59 adding: *685* *59* *Lys* *HB3* *H* *1.149* *.* *2* old residue 59 adding: *686* *59* *Lys* *HG2* *H* *1.039* *.* *2* old residue 59 adding: *687* *59* *Lys* *HG3* *H* *0.646* *.* *2* old residue 59 adding: *688* *59* *Lys* *HD2* *H* *0.980* *.* *2* old residue 59 adding: *689* *59* *Lys* *HD3* *H* *0.837* *.* *2* old residue 59 adding: *690* *59* *Lys* *HE2* *H* *2.110* *.* *2* old residue 59 adding: *691* *59* *Lys* *HE3* *H* *2.043* *.* *2* old residue 59 adding: *692* *59* *Lys* *C* *C* *176.115* *.* *1* old residue 59 adding: *693* *59* *Lys* *CA* *C* *56.725* *.* *1* old residue 59 adding: *694* *59* *Lys* *CB* *C* *32.705* *.* *1* old residue 59 adding: *695* *59* *Lys* *CG* *C* *25.145* *.* *1* old residue 59 adding: *696* *59* *Lys* *CD* *C* *29.351* *.* *1* old residue 59 adding: *697* *59* *Lys* *CE* *C* *41.052* *.* *1* old residue 59 adding: *698* *59* *Lys* *N* *N* *123.389* *.* *1* new residue 60 adding: *699* *60* *Lys* *H* *H* *9.339* *.* *1* old residue 60 adding: *700* *60* *Lys* *HA* *H* *5.010* *.* *1* old residue 60 adding: *701* *60* *Lys* *HB2* *H* *1.852* *.* *2* old residue 60 adding: *702* *60* *Lys* *HB3* *H* *1.811* *.* *2* old residue 60 adding: *703* *60* *Lys* *HG2* *H* *1.429* *.* *2* old residue 60 adding: *704* *60* *Lys* *HG3* *H* *1.429* *.* *2* old residue 60 adding: *705* *60* *Lys* *HD2* *H* *1.687* *.* *2* old residue 60 adding: *706* *60* *Lys* *HD3* *H* *1.615* *.* *2* old residue 60 adding: *707* *60* *Lys* *HE2* *H* *2.971* *.* *2* old residue 60 adding: *708* *60* *Lys* *HE3* *H* *2.912* *.* *2* old residue 60 adding: *709* *60* *Lys* *C* *C* *173.578* *.* *1* old residue 60 adding: *710* *60* *Lys* *CA* *C* *51.925* *.* *1* old residue 60 adding: *711* *60* *Lys* *CB* *C* *32.916* *.* *1* old residue 60 adding: *712* *60* *Lys* *CG* *C* *24.255* *.* *1* old residue 60 adding: *713* *60* *Lys* *CD* *C* *28.771* *.* *1* old residue 60 adding: *714* *60* *Lys* *CE* *C* *42.321* *.* *1* old residue 60 adding: *715* *60* *Lys* *N* *N* *126.747* *.* *1* new residue 61 adding: *716* *61* *Pro* *HA* *H* *4.502* *.* *1* old residue 61 adding: *717* *61* *Pro* *HB2* *H* *2.320* *.* *2* old residue 61 adding: *718* *61* *Pro* *HB3* *H* *1.875* *.* *2* old residue 61 adding: *719* *61* *Pro* *HG2* *H* *2.124* *.* *2* old residue 61 adding: *720* *61* *Pro* *HG3* *H* *2.000* *.* *2* old residue 61 adding: *721* *61* *Pro* *HD2* *H* *3.900* *.* *2* old residue 61 adding: *722* *61* *Pro* *HD3* *H* *3.826* *.* *2* old residue 61 adding: *723* *61* *Pro* *C* *C* *176.284* *.* *1* old residue 61 adding: *724* *61* *Pro* *CA* *C* *63.189* *.* *1* old residue 61 adding: *725* *61* *Pro* *CB* *C* *32.725* *.* *1* old residue 61 adding: *726* *61* *Pro* *CG* *C* *27.435* *.* *1* old residue 61 adding: *727* *61* *Pro* *CD* *C* *51.309* *.* *1* new residue 62 adding: *728* *62* *Ile* *H* *H* *8.068* *.* *1* old residue 62 adding: *729* *62* *Ile* *HA* *H* *4.347* *.* *1* old residue 62 adding: *730* *62* *Ile* *HB* *H* *1.434* *.* *1* old residue 62 adding: *731* *62* *Ile* *HG12* *H* *1.258* *.* *2* old residue 62 adding: *732* *62* *Ile* *HG13* *H* *1.258* *.* *2* old residue 62 adding: *733* *62* *Ile* *HG2* *H* *0.738* *.* *1* old residue 62 adding: *734* *62* *Ile* *HD1* *H* *0.723* *.* *1* old residue 62 adding: *735* *62* *Ile* *C* *C* *174.924* *.* *1* old residue 62 adding: *736* *62* *Ile* *CA* *C* *57.629* *.* *1* old residue 62 adding: *737* *62* *Ile* *CB* *C* *40.139* *.* *1* old residue 62 adding: *738* *62* *Ile* *CG1* *C* *26.533* *.* *1* old residue 62 adding: *739* *62* *Ile* *CG2* *C* *17.448* *.* *1* old residue 62 adding: *740* *62* *Ile* *CD1* *C* *13.103* *.* *1* old residue 62 adding: *741* *62* *Ile* *N* *N* *122.723* *.* *1* new residue 63 adding: *742* *63* *Gly* *H* *H* *8.536* *.* *1* old residue 63 adding: *743* *63* *Gly* *HA2* *H* *4.109* *.* *2* old residue 63 adding: *744* *63* *Gly* *HA3* *H* *3.771* *.* *2* old residue 63 adding: *745* *63* *Gly* *C* *C* *176.340* *.* *1* old residue 63 adding: *746* *63* *Gly* *CA* *C* *45.451* *.* *1* old residue 63 adding: *747* *63* *Gly* *N* *N* *111.926* *.* *1* new residue 64 adding: *748* *64* *Trp* *H* *H* *8.971* *.* *1* old residue 64 adding: *749* *64* *Trp* *HA* *H* *4.247* *.* *1* old residue 64 adding: *750* *64* *Trp* *HB2* *H* *3.236* *.* *2* old residue 64 adding: *751* *64* *Trp* *HB3* *H* *3.161* *.* *2* old residue 64 adding: *752* *64* *Trp* *HD1* *H* *7.494* *.* *1* old residue 64 adding: *753* *64* *Trp* *HE1* *H* *9.807* *.* *1* old residue 64 adding: *754* *64* *Trp* *HE3* *H* *7.329* *.* *1* old residue 64 adding: *755* *64* *Trp* *HZ2* *H* *7.217* *.* *1* old residue 64 adding: *756* *64* *Trp* *HZ3* *H* *6.780* *.* *1* old residue 64 adding: *757* *64* *Trp* *HH2* *H* *6.696* *.* *1* old residue 64 adding: *758* *64* *Trp* *C* *C* *176.297* *.* *1* old residue 64 adding: *759* *64* *Trp* *CA* *C* *60.572* *.* *1* old residue 64 adding: *760* *64* *Trp* *CB* *C* *30.666* *.* *1* old residue 64 adding: *761* *64* *Trp* *CD1* *C* *127.977* *.* *1* old residue 64 adding: *762* *64* *Trp* *CE3* *C* *119.357* *.* *1* old residue 64 adding: *763* *64* *Trp* *CZ2* *C* *115.720* *.* *1* old residue 64 adding: *764* *64* *Trp* *CZ3* *C* *120.832* *.* *1* old residue 64 adding: *765* *64* *Trp* *CH2* *C* *122.561* *.* *1* old residue 64 adding: *766* *64* *Trp* *N* *N* *125.240* *.* *1* old residue 64 adding: *767* *64* *Trp* *NE1* *N* *129.161* *.* *1* new residue 65 adding: *768* *65* *Asp* *H* *H* *8.602* *.* *1* old residue 65 adding: *769* *65* *Asp* *HA* *H* *4.915* *.* *1* old residue 65 adding: *770* *65* *Asp* *HB2* *H* *2.926* *.* *2* old residue 65 adding: *771* *65* *Asp* *HB3* *H* *2.674* *.* *2* old residue 65 adding: *772* *65* *Asp* *C* *C* *175.072* *.* *1* old residue 65 adding: *773* *65* *Asp* *CA* *C* *54.044* *.* *1* old residue 65 adding: *774* *65* *Asp* *CB* *C* *40.309* *.* *1* old residue 65 adding: *775* *65* *Asp* *N* *N* *114.142* *.* *1* new residue 66 adding: *776* *66* *Thr* *H* *H* *7.277* *.* *1* old residue 66 adding: *777* *66* *Thr* *HA* *H* *3.893* *.* *1* old residue 66 adding: *778* *66* *Thr* *HB* *H* *3.963* *.* *1* old residue 66 adding: *779* *66* *Thr* *HG2* *H* *1.272* *.* *1* old residue 66 adding: *780* *66* *Thr* *C* *C* *172.855* *.* *1* old residue 66 adding: *781* *66* *Thr* *CA* *C* *63.213* *.* *1* old residue 66 adding: *782* *66* *Thr* *CB* *C* *70.027* *.* *1* old residue 66 adding: *783* *66* *Thr* *CG2* *C* *21.748* *.* *1* old residue 66 adding: *784* *66* *Thr* *N* *N* *115.433* *.* *1* new residue 67 adding: *785* *67* *Asp* *H* *H* *7.509* *.* *1* old residue 67 adding: *786* *67* *Asp* *HA* *H* *4.193* *.* *1* old residue 67 adding: *787* *67* *Asp* *HB2* *H* *1.678* *.* *2* old residue 67 adding: *788* *67* *Asp* *HB3* *H* *1.900* *.* *2* old residue 67 adding: *789* *67* *Asp* *C* *C* *177.302* *.* *1* old residue 67 adding: *790* *67* *Asp* *CA* *C* *54.518* *.* *1* old residue 67 adding: *791* *67* *Asp* *CB* *C* *41.684* *.* *1* old residue 67 adding: *792* *67* *Asp* *N* *N* *125.656* *.* *1* new residue 68 adding: *793* *68* *Ile* *H* *H* *9.133* *.* *1* old residue 68 adding: *794* *68* *Ile* *HA* *H* *3.847* *.* *1* old residue 68 adding: *795* *68* *Ile* *HB* *H* *1.407* *.* *1* old residue 68 adding: *796* *68* *Ile* *HG12* *H* *1.392* *.* *2* old residue 68 adding: *797* *68* *Ile* *HG13* *H* *1.373* *.* *2* old residue 68 adding: *798* *68* *Ile* *HG2* *H* *1.044* *.* *1* old residue 68 adding: *799* *68* *Ile* *HD1* *H* *0.801* *.* *1* old residue 68 adding: *800* *68* *Ile* *C* *C* *176.338* *.* *1* old residue 68 adding: *801* *68* *Ile* *CA* *C* *61.903* *.* *1* old residue 68 adding: *802* *68* *Ile* *CB* *C* *39.726* *.* *1* old residue 68 adding: *803* *68* *Ile* *CG1* *C* *29.375* *.* *1* old residue 68 adding: *804* *68* *Ile* *CG2* *C* *19.983* *.* *1* old residue 68 adding: *805* *68* *Ile* *CD1* *C* *15.301* *.* *1* old residue 68 adding: *806* *68* *Ile* *N* *N* *128.964* *.* *1* new residue 69 adding: *807* *69* *Ser* *H* *H* *8.991* *.* *1* old residue 69 adding: *808* *69* *Ser* *HA* *H* *3.891* *.* *1* old residue 69 adding: *809* *69* *Ser* *HB2* *H* *3.911* *.* *2* old residue 69 adding: *810* *69* *Ser* *HB3* *H* *3.525* *.* *2* old residue 69 adding: *811* *69* *Ser* *C* *C* *177.888* *.* *1* old residue 69 adding: *812* *69* *Ser* *CA* *C* *61.166* *.* *1* old residue 69 adding: *813* *69* *Ser* *CB* *C* *63.128* *.* *1* old residue 69 adding: *814* *69* *Ser* *N* *N* *118.157* *.* *1* new residue 70 adding: *815* *70* *Trp* *H* *H* *7.966* *.* *1* old residue 70 adding: *816* *70* *Trp* *HA* *H* *4.758* *.* *1* old residue 70 adding: *817* *70* *Trp* *HB2* *H* *3.273* *.* *2* old residue 70 adding: *818* *70* *Trp* *HB3* *H* *3.449* *.* *2* old residue 70 adding: *819* *70* *Trp* *HD1* *H* *7.237* *.* *1* old residue 70 adding: *820* *70* *Trp* *HE1* *H* *10.174* *.* *1* old residue 70 adding: *821* *70* *Trp* *HE3* *H* *7.689* *.* *1* old residue 70 adding: *822* *70* *Trp* *HZ2* *H* *7.539* *.* *1* old residue 70 adding: *823* *70* *Trp* *HZ3* *H* *7.200* *.* *1* old residue 70 adding: *824* *70* *Trp* *HH2* *H* *7.289* *.* *1* old residue 70 adding: *825* *70* *Trp* *C* *C* *176.689* *.* *1* old residue 70 adding: *826* *70* *Trp* *CA* *C* *57.611* *.* *1* old residue 70 adding: *827* *70* *Trp* *CB* *C* *28.548* *.* *1* old residue 70 adding: *828* *70* *Trp* *CD1* *C* *125.757* *.* *1* old residue 70 adding: *829* *70* *Trp* *CE3* *C* *121.303* *.* *1* old residue 70 adding: *830* *70* *Trp* *CZ2* *C* *114.902* *.* *1* old residue 70 adding: *831* *70* *Trp* *CZ3* *C* *121.377* *.* *1* old residue 70 adding: *832* *70* *Trp* *CH2* *C* *124.947* *.* *1* old residue 70 adding: *833* *70* *Trp* *N* *N* *124.315* *.* *1* old residue 70 adding: *834* *70* *Trp* *NE1* *N* *128.448* *.* *1* new residue 71 adding: *835* *71* *Leu* *H* *H* *7.877* *.* *1* old residue 71 adding: *836* *71* *Leu* *HA* *H* *4.496* *.* *1* old residue 71 adding: *837* *71* *Leu* *HB2* *H* *1.803* *.* *2* old residue 71 adding: *838* *71* *Leu* *HB3* *H* *1.761* *.* *2* old residue 71 adding: *839* *71* *Leu* *HG* *H* *1.559* *.* *1* old residue 71 adding: *840* *71* *Leu* *HD1* *H* *0.872* *.* *1* old residue 71 adding: *841* *71* *Leu* *HD2* *H* *0.835* *.* *1* old residue 71 adding: *842* *71* *Leu* *C* *C* *174.862* *.* *1* old residue 71 adding: *843* *71* *Leu* *CA* *C* *53.183* *.* *1* old residue 71 adding: *844* *71* *Leu* *CB* *C* *41.868* *.* *1* old residue 71 adding: *845* *71* *Leu* *CG* *C* *27.225* *.* *1* old residue 71 adding: *846* *71* *Leu* *CD1* *C* *27.215* *.* *1* old residue 71 adding: *847* *71* *Leu* *CD2* *C* *23.277* *.* *1* old residue 71 adding: *848* *71* *Leu* *N* *N* *118.855* *.* *1* new residue 72 adding: *849* *72* *Thr* *H* *H* *7.046* *.* *1* old residue 72 adding: *850* *72* *Thr* *HA* *H* *3.518* *.* *1* old residue 72 adding: *851* *72* *Thr* *HB* *H* *4.073* *.* *1* old residue 72 adding: *852* *72* *Thr* *HG2* *H* *1.263* *.* *1* old residue 72 adding: *853* *72* *Thr* *C* *C* *175.562* *.* *1* old residue 72 adding: *854* *72* *Thr* *CA* *C* *65.579* *.* *1* old residue 72 adding: *855* *72* *Thr* *CB* *C* *69.238* *.* *1* old residue 72 adding: *856* *72* *Thr* *CG2* *C* *22.046* *.* *1* old residue 72 adding: *857* *72* *Thr* *N* *N* *113.756* *.* *1* new residue 73 adding: *858* *73* *Gly* *H* *H* *9.043* *.* *1* old residue 73 adding: *859* *73* *Gly* *HA2* *H* *3.904* *.* *2* old residue 73 adding: *860* *73* *Gly* *HA3* *H* *4.289* *.* *2* old residue 73 adding: *861* *73* *Gly* *C* *C* *174.358* *.* *1* old residue 73 adding: *862* *73* *Gly* *CA* *C* *45.738* *.* *1* old residue 73 adding: *863* *73* *Gly* *N* *N* *114.559* *.* *1* new residue 74 adding: *864* *74* *Glu* *H* *H* *8.317* *.* *1* old residue 74 adding: *865* *74* *Glu* *HA* *H* *4.686* *.* *1* old residue 74 adding: *866* *74* *Glu* *HB2* *H* *2.136* *.* *2* old residue 74 adding: *867* *74* *Glu* *HB3* *H* *2.152* *.* *2* old residue 74 adding: *868* *74* *Glu* *HG2* *H* *2.215* *.* *2* old residue 74 adding: *869* *74* *Glu* *HG3* *H* *2.215* *.* *2* old residue 74 adding: *870* *74* *Glu* *C* *C* *174.541* *.* *1* old residue 74 adding: *871* *74* *Glu* *CA* *C* *55.169* *.* *1* old residue 74 adding: *872* *74* *Glu* *CB* *C* *30.446* *.* *1* old residue 74 adding: *873* *74* *Glu* *CG* *C* *35.283* *.* *1* old residue 74 adding: *874* *74* *Glu* *N* *N* *119.115* *.* *1* new residue 75 adding: *875* *75* *Glu* *H* *H* *8.461* *.* *1* old residue 75 adding: *876* *75* *Glu* *HA* *H* *5.174* *.* *1* old residue 75 adding: *877* *75* *Glu* *HB2* *H* *2.096* *.* *2* old residue 75 adding: *878* *75* *Glu* *HB3* *H* *1.868* *.* *2* old residue 75 adding: *879* *75* *Glu* *HG2* *H* *2.410* *.* *2* old residue 75 adding: *880* *75* *Glu* *HG3* *H* *2.094* *.* *2* old residue 75 adding: *881* *75* *Glu* *C* *C* *175.718* *.* *1* old residue 75 adding: *882* *75* *Glu* *CA* *C* *54.552* *.* *1* old residue 75 adding: *883* *75* *Glu* *CB* *C* *31.572* *.* *1* old residue 75 adding: *884* *75* *Glu* *CG* *C* *36.885* *.* *1* old residue 75 adding: *885* *75* *Glu* *N* *N* *118.216* *.* *1* new residue 76 adding: *886* *76* *Leu* *H* *H* *8.993* *.* *1* old residue 76 adding: *887* *76* *Leu* *HA* *H* *4.962* *.* *1* old residue 76 adding: *888* *76* *Leu* *HB2* *H* *1.233* *.* *2* old residue 76 adding: *889* *76* *Leu* *HB3* *H* *1.521* *.* *2* old residue 76 adding: *890* *76* *Leu* *HG* *H* *1.541* *.* *1* old residue 76 adding: *891* *76* *Leu* *HD1* *H* *0.665* *.* *1* old residue 76 adding: *892* *76* *Leu* *HD2* *H* *0.712* *.* *1* old residue 76 adding: *893* *76* *Leu* *C* *C* *175.693* *.* *1* old residue 76 adding: *894* *76* *Leu* *CA* *C* *52.950* *.* *1* old residue 76 adding: *895* *76* *Leu* *CB* *C* *44.692* *.* *1* old residue 76 adding: *896* *76* *Leu* *CG* *C* *26.990* *.* *1* old residue 76 adding: *897* *76* *Leu* *CD1* *C* *25.055* *.* *1* old residue 76 adding: *898* *76* *Leu* *CD2* *C* *23.709* *.* *1* old residue 76 adding: *899* *76* *Leu* *N* *N* *123.399* *.* *1* new residue 77 adding: *900* *77* *His* *H* *H* *9.181* *.* *1* old residue 77 adding: *901* *77* *His* *HA* *H* *5.078* *.* *1* old residue 77 adding: *902* *77* *His* *HB2* *H* *2.682* *.* *2* old residue 77 adding: *903* *77* *His* *HB3* *H* *1.830* *.* *2* old residue 77 adding: *904* *77* *His* *HD2* *H* *6.955* *.* *1* old residue 77 adding: *905* *77* *His* *HE1* *H* *8.019* *.* *1* old residue 77 adding: *906* *77* *His* *C* *C* *172.642* *.* *1* old residue 77 adding: *907* *77* *His* *CA* *C* *54.396* *.* *1* old residue 77 adding: *908* *77* *His* *CB* *C* *30.441* *.* *1* old residue 77 adding: *909* *77* *His* *CD2* *C* *118.364* *.* *1* old residue 77 adding: *910* *77* *His* *CE1* *C* *136.223* *.* *1* old residue 77 adding: *911* *77* *His* *N* *N* *120.029* *.* *1* new residue 78 adding: *912* *78* *Val* *H* *H* *8.553* *.* *1* old residue 78 adding: *913* *78* *Val* *HA* *H* *4.993* *.* *1* old residue 78 adding: *914* *78* *Val* *HB* *H* *2.013* *.* *1* old residue 78 adding: *915* *78* *Val* *HG1* *H* *0.990* *.* *1* old residue 78 adding: *916* *78* *Val* *HG2* *H* *0.780* *.* *1* old residue 78 adding: *917* *78* *Val* *C* *C* *174.856* *.* *1* old residue 78 adding: *918* *78* *Val* *CA* *C* *60.845* *.* *1* old residue 78 adding: *919* *78* *Val* *CB* *C* *33.829* *.* *1* old residue 78 adding: *920* *78* *Val* *CG1* *C* *21.513* *.* *1* old residue 78 adding: *921* *78* *Val* *CG2* *C* *21.866* *.* *1* old residue 78 adding: *922* *78* *Val* *N* *N* *122.192* *.* *1* new residue 79 adding: *923* *79* *Glu* *H* *H* *9.145* *.* *1* old residue 79 adding: *924* *79* *Glu* *HA* *H* *4.977* *.* *1* old residue 79 adding: *925* *79* *Glu* *HB2* *H* *2.024* *.* *2* old residue 79 adding: *926* *79* *Glu* *HB3* *H* *2.163* *.* *2* old residue 79 adding: *927* *79* *Glu* *HG2* *H* *2.368* *.* *2* old residue 79 adding: *928* *79* *Glu* *HG3* *H* *2.241* *.* *2* old residue 79 adding: *929* *79* *Glu* *C* *C* *174.938* *.* *1* old residue 79 adding: *930* *79* *Glu* *CA* *C* *53.453* *.* *1* old residue 79 adding: *931* *79* *Glu* *CB* *C* *33.759* *.* *1* old residue 79 adding: *932* *79* *Glu* *CG* *C* *35.486* *.* *1* old residue 79 adding: *933* *79* *Glu* *N* *N* *125.174* *.* *1* new residue 80 adding: *934* *80* *Val* *H* *H* *8.831* *.* *1* old residue 80 adding: *935* *80* *Val* *HA* *H* *4.450* *.* *1* old residue 80 adding: *936* *80* *Val* *HB* *H* *2.071* *.* *1* old residue 80 adding: *937* *80* *Val* *HG1* *H* *1.091* *.* *1* old residue 80 adding: *938* *80* *Val* *HG2* *H* *1.073* *.* *1* old residue 80 adding: *939* *80* *Val* *C* *C* *176.779* *.* *1* old residue 80 adding: *940* *80* *Val* *CA* *C* *63.078* *.* *1* old residue 80 adding: *941* *80* *Val* *CB* *C* *32.474* *.* *1* old residue 80 adding: *942* *80* *Val* *CG1* *C* *21.715* *.* *1* old residue 80 adding: *943* *80* *Val* *CG2* *C* *22.211* *.* *1* old residue 80 adding: *944* *80* *Val* *N* *N* *122.494* *.* *1* new residue 81 adding: *945* *81* *Leu* *H* *H* *8.707* *.* *1* old residue 81 adding: *946* *81* *Leu* *HA* *H* *4.358* *.* *1* old residue 81 adding: *947* *81* *Leu* *HB2* *H* *1.643* *.* *2* old residue 81 adding: *948* *81* *Leu* *HB3* *H* *1.487* *.* *2* old residue 81 adding: *949* *81* *Leu* *HG* *H* *1.460* *.* *1* old residue 81 adding: *950* *81* *Leu* *HD1* *H* *0.911* *.* *1* old residue 81 adding: *951* *81* *Leu* *HD2* *H* *0.909* *.* *1* old residue 81 adding: *952* *81* *Leu* *C* *C* *177.088* *.* *1* old residue 81 adding: *953* *81* *Leu* *CA* *C* *55.392* *.* *1* old residue 81 adding: *954* *81* *Leu* *CB* *C* *42.389* *.* *1* old residue 81 adding: *955* *81* *Leu* *CG* *C* *27.193* *.* *1* old residue 81 adding: *956* *81* *Leu* *CD1* *C* *25.518* *.* *1* old residue 81 adding: *957* *81* *Leu* *CD2* *C* *23.116* *.* *1* old residue 81 adding: *958* *81* *Leu* *N* *N* *127.888* *.* *1* new residue 82 adding: *959* *82* *Glu* *H* *H* *8.389* *.* *1* old residue 82 adding: *960* *82* *Glu* *HA* *H* *4.355* *.* *1* old residue 82 adding: *961* *82* *Glu* *HB2* *H* *2.075* *.* *2* old residue 82 adding: *962* *82* *Glu* *HB3* *H* *1.948* *.* *2* old residue 82 adding: *963* *82* *Glu* *HG2* *H* *2.379* *.* *2* old residue 82 adding: *964* *82* *Glu* *HG3* *H* *2.326* *.* *2* old residue 82 adding: *965* *82* *Glu* *C* *C* *175.787* *.* *1* old residue 82 adding: *966* *82* *Glu* *CA* *C* *56.107* *.* *1* old residue 82 adding: *967* *82* *Glu* *CB* *C* *30.144* *.* *1* old residue 82 adding: *968* *82* *Glu* *CG* *C* *35.066* *.* *1* old residue 82 adding: *969* *82* *Glu* *N* *N* *120.666* *.* *1* new residue 83 adding: *970* *83* *Asn* *H* *H* *8.496* *.* *1* old residue 83 adding: *971* *83* *Asn* *HA* *H* *4.696* *.* *1* old residue 83 adding: *972* *83* *Asn* *HB2* *H* *2.797* *.* *2* old residue 83 adding: *973* *83* *Asn* *HB3* *H* *2.753* *.* *2* old residue 83 adding: *974* *83* *Asn* *HD21* *H* *7.625* *.* *1* old residue 83 adding: *975* *83* *Asn* *HD22* *H* *6.915* *.* *1* old residue 83 adding: *976* *83* *Asn* *C* *C* *174.544* *.* *1* old residue 83 adding: *977* *83* *Asn* *CA* *C* *53.181* *.* *1* old residue 83 adding: *978* *83* *Asn* *CB* *C* *38.929* *.* *1* old residue 83 adding: *979* *83* *Asn* *CG* *C* *177.252* *.* *1* old residue 83 adding: *980* *83* *Asn* *N* *N* *119.027* *.* *1* old residue 83 adding: *981* *83* *Asn* *ND2* *N* *113.094* *.* *1* new residue 84 adding: *982* *84* *Val* *H* *H* *8.050* *.* *1* old residue 84 adding: *983* *84* *Val* *HA* *H* *4.422* *.* *1* old residue 84 adding: *984* *84* *Val* *HB* *H* *2.088* *.* *1* old residue 84 adding: *985* *84* *Val* *HG1* *H* *0.987* *.* *1* old residue 84 adding: *986* *84* *Val* *HG2* *H* *0.951* *.* *1* old residue 84 adding: *987* *84* *Val* *C* *C* *174.404* *.* *1* old residue 84 adding: *988* *84* *Val* *CA* *C* *59.948* *.* *1* old residue 84 adding: *989* *84* *Val* *CB* *C* *32.712* *.* *1* old residue 84 adding: *990* *84* *Val* *CG1* *C* *21.173* *.* *1* old residue 84 adding: *991* *84* *Val* *CG2* *C* *20.562* *.* *1* old residue 84 adding: *992* *84* *Val* *N* *N* *121.763* *.* *1* new residue 85 adding: *993* *85* *Pro* *HA* *H* *4.438* *.* *1* old residue 85 adding: *994* *85* *Pro* *HB2* *H* *2.259* *.* *2* old residue 85 adding: *995* *85* *Pro* *HB3* *H* *1.975* *.* *2* old residue 85 adding: *996* *85* *Pro* *HG2* *H* *2.064* *.* *2* old residue 85 adding: *997* *85* *Pro* *HG3* *H* *1.974* *.* *2* old residue 85 adding: *998* *85* *Pro* *HD2* *H* *3.860* *.* *2* old residue 85 adding: *999* *85* *Pro* *HD3* *H* *3.694* *.* *2* old residue 85 adding: *1000* *85* *Pro* *C* *C* *176.022* *.* *1* old residue 85 adding: *1001* *85* *Pro* *CA* *C* *63.457* *.* *1* old residue 85 adding: *1002* *85* *Pro* *CB* *C* *31.762* *.* *1* old residue 85 adding: *1003* *85* *Pro* *CG* *C* *27.401* *.* *1* old residue 85 adding: *1004* *85* *Pro* *CD* *C* *51.031* *.* *1* new residue 86 adding: *1005* *86* *Leu* *H* *H* *7.951* *.* *1* old residue 86 adding: *1006* *86* *Leu* *HA* *H* *4.183* *.* *1* old residue 86 adding: *1007* *86* *Leu* *HB2* *H* *1.580* *.* *2* old residue 86 adding: *1008* *86* *Leu* *HB3* *H* *1.580* *.* *2* old residue 86 adding: *1009* *86* *Leu* *HG* *H* *1.673* *.* *1* old residue 86 adding: *1010* *86* *Leu* *HD1* *H* *0.923* *.* *1* old residue 86 adding: *1011* *86* *Leu* *HD2* *H* *0.885* *.* *1* old residue 86 adding: *1012* *86* *Leu* *CA* *C* *56.568* *.* *1* old residue 86 adding: *1013* *86* *Leu* *CB* *C* *43.397* *.* *1* old residue 86 adding: *1014* *86* *Leu* *CG* *C* *27.217* *.* *1* old residue 86 adding: *1015* *86* *Leu* *CD1* *C* *25.282* *.* *1* old residue 86 adding: *1016* *86* *Leu* *CD2* *C* *23.678* *.* *1* old residue 86 adding: *1017* *86* *Leu* *N* *N* *128.140* *.* *1* seqcode size is : 85 seqcode: 33 shift counts are : 8 seqcode: 32 shift counts are : 16 seqcode: 63 shift counts are : 6 seqcode: 21 shift counts are : 9 seqcode: 71 shift counts are : 14 seqcode: 7 shift counts are : 15 seqcode: 80 shift counts are : 11 seqcode: 26 shift counts are : 16 seqcode: 18 shift counts are : 17 seqcode: 72 shift counts are : 9 seqcode: 16 shift counts are : 11 seqcode: 44 shift counts are : 14 seqcode: 55 shift counts are : 15 seqcode: 84 shift counts are : 11 seqcode: 74 shift counts are : 11 seqcode: 27 shift counts are : 8 seqcode: 57 shift counts are : 6 seqcode: 61 shift counts are : 12 seqcode: 20 shift counts are : 16 seqcode: 10 shift counts are : 14 seqcode: 31 shift counts are : 11 seqcode: 35 shift counts are : 14 seqcode: 11 shift counts are : 11 seqcode: 78 shift counts are : 11 seqcode: 48 shift counts are : 8 seqcode: 77 shift counts are : 12 seqcode: 65 shift counts are : 8 seqcode: 29 shift counts are : 11 seqcode: 50 shift counts are : 7 seqcode: 39 shift counts are : 14 seqcode: 64 shift counts are : 20 seqcode: 41 shift counts are : 11 seqcode: 12 shift counts are : 16 seqcode: 58 shift counts are : 11 seqcode: 15 shift counts are : 13 seqcode: 81 shift counts are : 14 seqcode: 52 shift counts are : 16 seqcode: 60 shift counts are : 17 seqcode: 56 shift counts are : 8 seqcode: 73 shift counts are : 6 seqcode: 66 shift counts are : 9 seqcode: 45 shift counts are : 13 seqcode: 86 shift counts are : 13 seqcode: 76 shift counts are : 14 seqcode: 19 shift counts are : 15 seqcode: 62 shift counts are : 14 seqcode: 54 shift counts are : 14 seqcode: 67 shift counts are : 8 seqcode: 70 shift counts are : 20 seqcode: 68 shift counts are : 14 seqcode: 2 shift counts are : 11 seqcode: 17 shift counts are : 11 seqcode: 30 shift counts are : 9 seqcode: 82 shift counts are : 11 seqcode: 25 shift counts are : 7 seqcode: 28 shift counts are : 6 seqcode: 83 shift counts are : 12 seqcode: 75 shift counts are : 11 seqcode: 40 shift counts are : 11 seqcode: 14 shift counts are : 18 seqcode: 69 shift counts are : 8 seqcode: 59 shift counts are : 17 seqcode: 49 shift counts are : 8 seqcode: 24 shift counts are : 12 seqcode: 53 shift counts are : 16 seqcode: 79 shift counts are : 11 seqcode: 22 shift counts are : 11 seqcode: 42 shift counts are : 16 seqcode: 46 shift counts are : 12 seqcode: 23 shift counts are : 11 seqcode: 13 shift counts are : 11 seqcode: 6 shift counts are : 11 seqcode: 85 shift counts are : 12 seqcode: 3 shift counts are : 12 seqcode: 36 shift counts are : 17 seqcode: 9 shift counts are : 11 seqcode: 51 shift counts are : 11 seqcode: 47 shift counts are : 11 seqcode: 8 shift counts are : 17 seqcode: 38 shift counts are : 7 seqcode: 4 shift counts are : 17 seqcode: 34 shift counts are : 8 seqcode: 37 shift counts are : 17 seqcode: 43 shift counts are : 6 seqcode: 5 shift counts are : 8 setting ambig code at 847 for HD2 to 2 setting ambig code at 846 for HD1 to 2 setting ambig code at 943 for HG2 to 2 setting ambig code at 942 for HG1 to 2 setting ambig code at 524 for HD2 to 2 setting ambig code at 523 for HD1 to 2 setting ambig code at 991 for HG2 to 2 setting ambig code at 990 for HG1 to 2 setting ambig code at 365 for HG2 to 2 setting ambig code at 364 for HG1 to 2 setting ambig code at 411 for HD2 to 2 setting ambig code at 410 for HD1 to 2 setting ambig code at 126 for HG2 to 2 setting ambig code at 125 for HG1 to 2 setting ambig code at 921 for HG2 to 2 setting ambig code at 920 for HG1 to 2 setting ambig code at 345 for HG2 to 2 setting ambig code at 344 for HG1 to 2 setting ambig code at 466 for HD2 to 2 setting ambig code at 465 for HD1 to 2 setting ambig code at 184 for HD2 to 2 setting ambig code at 183 for HD1 to 2 setting ambig code at 957 for HD2 to 2 setting ambig code at 956 for HD1 to 2 setting ambig code at 1016 for HD2 to 2 setting ambig code at 1015 for HD1 to 2 setting ambig code at 898 for HD2 to 2 setting ambig code at 897 for HD1 to 2 setting ambig code at 274 for HG2 to 2 setting ambig code at 273 for HG1 to 2 setting ambig code at 285 for HG2 to 2 setting ambig code at 284 for HG1 to 2 setting ambig code at 153 for HG2 to 2 setting ambig code at 152 for HG1 to 2 setting ambig code at 594 for HG2 to 2 setting ambig code at 593 for HG1 to 2 1 2 MET H H 8.491 . 1 2 2 MET HA H 4.786 . 1 3 2 MET HB2 H 2.051 . 2 4 2 MET HB3 H 1.935 . 2 5 2 MET HG2 H 2.629 . 2 6 2 MET HG3 H 2.545 . 2 7 2 MET C C 174.152 . 1 8 2 MET CA C 53.578 . 1 9 2 MET CB C 32.186 . 1 10 2 MET CG C 32.054 . 1 11 2 MET N N 123.602 . 1 12 3 PRO HA H 4.441 . 1 13 3 PRO HB2 H 2.302 . 2 14 3 PRO HB3 H 1.913 . 2 15 3 PRO HG2 H 2.018 . 2 16 3 PRO HG3 H 2.018 . 2 17 3 PRO HD2 H 3.817 . 2 18 3 PRO HD3 H 3.687 . 2 19 3 PRO C C 176.757 . 1 20 3 PRO CA C 63.160 . 1 21 3 PRO CB C 32.145 . 1 22 3 PRO CG C 27.402 . 1 23 3 PRO CD C 50.779 . 1 24 4 LYS H H 8.470 . 1 25 4 LYS HA H 4.291 . 1 26 4 LYS HB2 H 1.827 . 2 27 4 LYS HB3 H 1.762 . 2 28 4 LYS HG2 H 1.479 . 2 29 4 LYS HG3 H 1.436 . 2 30 4 LYS HD2 H 1.696 . 2 31 4 LYS HD3 H 1.696 . 2 32 4 LYS HE2 H 3.005 . 2 33 4 LYS HE3 H 3.005 . 2 34 4 LYS C C 176.524 . 1 35 4 LYS CA C 56.349 . 1 36 4 LYS CB C 33.093 . 1 37 4 LYS CG C 24.759 . 1 38 4 LYS CD C 29.099 . 1 39 4 LYS CE C 42.181 . 1 40 4 LYS N N 121.873 . 1 41 5 SER H H 8.373 . 1 42 5 SER HA H 4.752 . 1 43 5 SER HB2 H 3.873 . 2 44 5 SER HB3 H 3.820 . 2 45 5 SER C C 172.643 . 1 46 5 SER CA C 56.342 . 1 47 5 SER CB C 63.368 . 1 48 5 SER N N 118.565 . 1 49 6 PRO HA H 4.441 . 1 50 6 PRO HB2 H 2.302 . 2 51 6 PRO HB3 H 1.913 . 2 52 6 PRO HG2 H 2.018 . 2 53 6 PRO HG3 H 2.018 . 2 54 6 PRO HD2 H 3.829 . 2 55 6 PRO HD3 H 3.724 . 2 56 6 PRO CA C 63.160 . 1 57 6 PRO CB C 32.145 . 1 58 6 PRO CG C 27.402 . 1 59 6 PRO CD C 50.764 . 1 60 7 GLN H H 8.467 . 1 61 7 GLN HA H 4.321 . 1 62 7 GLN HB2 H 1.968 . 2 63 7 GLN HB3 H 2.071 . 2 64 7 GLN HG2 H 2.383 . 2 65 7 GLN HG3 H 2.383 . 2 66 7 GLN HE21 H 7.628 . 1 67 7 GLN HE22 H 6.923 . 1 68 7 GLN C C 176.000 . 1 69 7 GLN CA C 55.896 . 1 70 7 GLN CB C 29.809 . 1 71 7 GLN CG C 33.888 . 1 72 7 GLN CD C 180.579 . 1 73 7 GLN N N 121.100 . 1 74 7 GLN NE2 N 113.215 . 1 75 8 LYS H H 8.449 . 1 76 8 LYS HA H 4.571 . 1 77 8 LYS HB2 H 1.820 . 2 78 8 LYS HB3 H 1.697 . 2 79 8 LYS HG2 H 1.506 . 2 80 8 LYS HG3 H 1.418 . 2 81 8 LYS HD2 H 1.686 . 2 82 8 LYS HD3 H 1.686 . 2 83 8 LYS HE2 H 2.982 . 2 84 8 LYS HE3 H 2.982 . 2 85 8 LYS C C 174.939 . 1 86 8 LYS CA C 54.291 . 1 87 8 LYS CB C 32.375 . 1 88 8 LYS CG C 24.947 . 1 89 8 LYS CD C 29.150 . 1 90 8 LYS CE C 42.203 . 1 91 8 LYS N N 124.303 . 1 92 9 PRO HA H 4.613 . 1 93 9 PRO HB2 H 2.168 . 2 94 9 PRO HB3 H 2.168 . 2 95 9 PRO HG2 H 2.161 . 2 96 9 PRO HG3 H 2.083 . 2 97 9 PRO HD2 H 3.779 . 2 98 9 PRO HD3 H 3.679 . 2 99 9 PRO CA C 62.863 . 1 100 9 PRO CB C 31.149 . 1 101 9 PRO CG C 27.738 . 1 102 9 PRO CD C 50.604 . 1 103 10 ILE H H 8.446 . 1 104 10 ILE HA H 5.082 . 1 105 10 ILE HB H 1.761 . 1 106 10 ILE HG12 H 1.327 . 2 107 10 ILE HG13 H 1.058 . 2 108 10 ILE HG2 H 0.748 . 1 109 10 ILE HD1 H 0.769 . 1 110 10 ILE C C 175.268 . 1 111 10 ILE CA C 59.453 . 1 112 10 ILE CB C 44.150 . 1 113 10 ILE CG1 C 25.680 . 1 114 10 ILE CG2 C 19.468 . 1 115 10 ILE CD1 C 14.110 . 1 116 10 ILE N N 120.376 . 1 117 11 VAL H H 8.857 . 1 118 11 VAL HA H 4.294 . 1 119 11 VAL HB H 1.729 . 1 120 11 VAL HG1 H 0.825 . 2 121 11 VAL HG2 H 0.774 . 2 122 11 VAL C C 174.969 . 1 123 11 VAL CA C 61.994 . 1 124 11 VAL CB C 35.008 . 1 125 11 VAL CG1 C 21.599 . 2 126 11 VAL CG2 C 22.143 . 2 127 11 VAL N N 120.623 . 1 128 12 ARG H H 8.201 . 1 129 12 ARG HA H 4.553 . 1 130 12 ARG HB2 H 1.790 . 2 131 12 ARG HB3 H 1.756 . 2 132 12 ARG HG2 H 1.607 . 2 133 12 ARG HG3 H 1.467 . 2 134 12 ARG HD2 H 3.176 . 2 135 12 ARG HD3 H 3.176 . 2 136 12 ARG HE H 7.317 . 1 137 12 ARG C C 174.582 . 1 138 12 ARG CA C 56.316 . 1 139 12 ARG CB C 31.470 . 1 140 12 ARG CG C 27.999 . 1 141 12 ARG CD C 43.307 . 1 142 12 ARG N N 126.163 . 1 143 12 ARG NE N 84.045 . 1 144 13 VAL H H 8.538 . 1 145 13 VAL HA H 4.636 . 1 146 13 VAL HB H 1.711 . 1 147 13 VAL HG1 H 0.633 . 2 148 13 VAL HG2 H 0.738 . 2 149 13 VAL C C 174.288 . 1 150 13 VAL CA C 60.982 . 1 151 13 VAL CB C 34.123 . 1 152 13 VAL CG1 C 21.750 . 2 153 13 VAL CG2 C 21.535 . 2 154 13 VAL N N 122.328 . 1 155 14 PHE H H 9.131 . 1 156 14 PHE HA H 4.643 . 1 157 14 PHE HB2 H 3.046 . 2 158 14 PHE HB3 H 2.338 . 2 159 14 PHE HD1 H 6.908 . 3 160 14 PHE HD2 H 6.908 . 3 161 14 PHE HE1 H 7.147 . 3 162 14 PHE HE2 H 7.147 . 3 163 14 PHE HZ H 7.237 . 1 164 14 PHE C C 174.495 . 1 165 14 PHE CA C 57.644 . 1 166 14 PHE CB C 39.458 . 1 167 14 PHE CD1 C 131.273 . 3 168 14 PHE CD2 C 131.273 . 3 169 14 PHE CE1 C 131.133 . 3 170 14 PHE CE2 C 131.133 . 3 171 14 PHE CZ C 129.751 . 1 172 14 PHE N N 127.959 . 1 173 15 LEU H H 8.556 . 1 174 15 LEU HA H 4.681 . 1 175 15 LEU HB2 H 1.558 . 2 176 15 LEU HB3 H 1.532 . 2 177 15 LEU HG H 1.457 . 1 178 15 LEU HD1 H 0.641 . 2 179 15 LEU HD2 H 0.690 . 2 180 15 LEU CA C 53.088 . 1 181 15 LEU CB C 41.905 . 1 182 15 LEU CG C 27.461 . 1 183 15 LEU CD1 C 25.294 . 2 184 15 LEU CD2 C 23.661 . 2 185 15 LEU N N 124.479 . 1 186 16 PRO HA H 4.619 . 1 187 16 PRO HB2 H 2.561 . 2 188 16 PRO HB3 H 1.833 . 2 189 16 PRO HG2 H 2.013 . 2 190 16 PRO HG3 H 1.960 . 2 191 16 PRO HD2 H 3.595 . 2 192 16 PRO HD3 H 3.411 . 2 193 16 PRO CA C 63.772 . 1 194 16 PRO CB C 32.025 . 1 195 16 PRO CG C 28.421 . 1 196 16 PRO CD C 50.255 . 1 197 17 ASN H H 8.845 . 1 198 17 ASN HA H 4.482 . 1 199 17 ASN HB2 H 3.010 . 2 200 17 ASN HB3 H 2.956 . 2 201 17 ASN HD21 H 7.624 . 1 202 17 ASN HD22 H 6.905 . 1 203 17 ASN C C 174.892 . 1 204 17 ASN CA C 53.998 . 1 205 17 ASN CB C 37.046 . 1 206 17 ASN CG C 178.447 . 1 207 17 ASN ND2 N 112.386 . 1 208 18 LYS H H 8.721 . 1 209 18 LYS HA H 3.975 . 1 210 18 LYS HB2 H 2.128 . 2 211 18 LYS HB3 H 2.057 . 2 212 18 LYS HG2 H 1.432 . 2 213 18 LYS HG3 H 1.432 . 2 214 18 LYS HD2 H 1.758 . 2 215 18 LYS HD3 H 1.697 . 2 216 18 LYS HE2 H 3.034 . 2 217 18 LYS HE3 H 3.034 . 2 218 18 LYS C C 175.999 . 1 219 18 LYS CA C 57.861 . 1 220 18 LYS CB C 29.331 . 1 221 18 LYS CG C 25.587 . 1 222 18 LYS CD C 29.412 . 1 223 18 LYS CE C 42.343 . 1 224 18 LYS N N 111.363 . 1 225 19 GLN H H 7.013 . 1 226 19 GLN HA H 4.519 . 1 227 19 GLN HB2 H 2.048 . 2 228 19 GLN HB3 H 1.876 . 2 229 19 GLN HG2 H 2.446 . 2 230 19 GLN HG3 H 2.381 . 2 231 19 GLN HE21 H 7.545 . 1 232 19 GLN HE22 H 6.992 . 1 233 19 GLN C C 175.036 . 1 234 19 GLN CA C 55.153 . 1 235 19 GLN CB C 30.170 . 1 236 19 GLN CG C 34.132 . 1 237 19 GLN CD C 180.539 . 1 238 19 GLN N N 117.906 . 1 239 19 GLN NE2 N 113.037 . 1 240 20 ARG H H 8.649 . 1 241 20 ARG HA H 5.081 . 1 242 20 ARG HB2 H 1.662 . 2 243 20 ARG HB3 H 1.455 . 2 244 20 ARG HG2 H 1.246 . 2 245 20 ARG HG3 H 1.226 . 2 246 20 ARG HD2 H 2.887 . 2 247 20 ARG HD3 H 2.869 . 2 248 20 ARG HE H 7.024 . 1 249 20 ARG C C 175.221 . 1 250 20 ARG CA C 54.905 . 1 251 20 ARG CB C 33.543 . 1 252 20 ARG CG C 26.507 . 1 253 20 ARG CD C 43.532 . 1 254 20 ARG N N 121.115 . 1 255 20 ARG NE N 85.118 . 1 256 21 THR H H 8.842 . 1 257 21 THR HA H 4.679 . 1 258 21 THR HB H 3.980 . 1 259 21 THR HG2 H 0.843 . 1 260 21 THR C C 171.661 . 1 261 21 THR CA C 60.211 . 1 262 21 THR CB C 69.789 . 1 263 21 THR CG2 C 18.252 . 1 264 21 THR N N 115.825 . 1 265 22 VAL H H 8.222 . 1 266 22 VAL HA H 5.014 . 1 267 22 VAL HB H 1.909 . 1 268 22 VAL HG1 H 0.875 . 2 269 22 VAL HG2 H 0.854 . 2 270 22 VAL C C 175.212 . 1 271 22 VAL CA C 60.556 . 1 272 22 VAL CB C 35.056 . 1 273 22 VAL CG1 C 22.112 . 2 274 22 VAL CG2 C 20.537 . 2 275 22 VAL N N 121.686 . 1 276 23 VAL H H 8.635 . 1 277 23 VAL HA H 5.023 . 1 278 23 VAL HB H 2.246 . 1 279 23 VAL HG1 H 0.889 . 2 280 23 VAL HG2 H 0.690 . 2 281 23 VAL C C 172.475 . 1 282 23 VAL CA C 57.386 . 1 283 23 VAL CB C 33.372 . 1 284 23 VAL CG1 C 21.779 . 2 285 23 VAL CG2 C 19.020 . 2 286 23 VAL N N 118.521 . 1 287 24 PRO HA H 4.624 . 1 288 24 PRO HB2 H 2.369 . 2 289 24 PRO HB3 H 1.810 . 2 290 24 PRO HG2 H 2.128 . 2 291 24 PRO HG3 H 2.029 . 2 292 24 PRO HD2 H 3.835 . 2 293 24 PRO HD3 H 3.835 . 2 294 24 PRO C C 176.404 . 1 295 24 PRO CA C 62.395 . 1 296 24 PRO CB C 32.365 . 1 297 24 PRO CG C 27.602 . 1 298 24 PRO CD C 50.838 . 1 299 25 ALA H H 8.135 . 1 300 25 ALA HA H 4.359 . 1 301 25 ALA HB H 0.991 . 1 302 25 ALA C C 174.828 . 1 303 25 ALA CA C 49.920 . 1 304 25 ALA CB C 18.831 . 1 305 25 ALA N N 127.629 . 1 306 26 ARG H H 6.764 . 1 307 26 ARG HA H 4.286 . 1 308 26 ARG HB2 H 1.746 . 2 309 26 ARG HB3 H 1.541 . 2 310 26 ARG HG2 H 1.586 . 2 311 26 ARG HG3 H 1.547 . 2 312 26 ARG HD2 H 3.193 . 2 313 26 ARG HD3 H 3.193 . 2 314 26 ARG HE H 7.229 . 1 315 26 ARG C C 174.255 . 1 316 26 ARG CA C 55.289 . 1 317 26 ARG CB C 31.741 . 1 318 26 ARG CG C 27.256 . 1 319 26 ARG CD C 43.433 . 1 320 26 ARG N N 122.703 . 1 321 26 ARG NE N 84.704 . 1 322 27 CYS H H 8.394 . 1 323 27 CYS HA H 4.465 . 1 324 27 CYS HB2 H 2.928 . 2 325 27 CYS HB3 H 2.879 . 2 326 27 CYS C C 175.947 . 1 327 27 CYS CA C 59.603 . 1 328 27 CYS CB C 27.145 . 1 329 27 CYS N N 121.473 . 1 330 28 GLY H H 9.708 . 1 331 28 GLY HA2 H 4.184 . 2 332 28 GLY HA3 H 3.566 . 2 333 28 GLY C C 173.477 . 1 334 28 GLY CA C 45.150 . 1 335 28 GLY N N 115.769 . 1 336 29 VAL H H 7.422 . 1 337 29 VAL HA H 4.493 . 1 338 29 VAL HB H 2.009 . 1 339 29 VAL HG1 H 1.097 . 2 340 29 VAL HG2 H 0.789 . 2 341 29 VAL C C 175.393 . 1 342 29 VAL CA C 60.718 . 1 343 29 VAL CB C 33.122 . 1 344 29 VAL CG1 C 21.627 . 2 345 29 VAL CG2 C 21.789 . 2 346 29 VAL N N 122.075 . 1 347 30 THR H H 8.853 . 1 348 30 THR HA H 4.823 . 1 349 30 THR HB H 4.905 . 1 350 30 THR HG2 H 1.335 . 1 351 30 THR C C 178.293 . 1 352 30 THR CA C 61.519 . 1 353 30 THR CB C 72.284 . 1 354 30 THR CG2 C 22.305 . 1 355 30 THR N N 116.161 . 1 356 31 VAL H H 8.840 . 1 357 31 VAL HA H 3.520 . 1 358 31 VAL HB H 2.333 . 1 359 31 VAL HG1 H 0.832 . 2 360 31 VAL HG2 H 0.835 . 2 361 31 VAL C C 178.082 . 1 362 31 VAL CA C 67.928 . 1 363 31 VAL CB C 31.665 . 1 364 31 VAL CG1 C 22.329 . 2 365 31 VAL CG2 C 23.534 . 2 366 31 VAL N N 124.622 . 1 367 32 ARG H H 8.901 . 1 368 32 ARG HA H 4.065 . 1 369 32 ARG HB2 H 1.834 . 2 370 32 ARG HB3 H 2.152 . 2 371 32 ARG HG2 H 1.295 . 2 372 32 ARG HG3 H 1.021 . 2 373 32 ARG HD2 H 3.149 . 2 374 32 ARG HD3 H 3.014 . 2 375 32 ARG HE H 7.665 . 1 376 32 ARG C C 177.717 . 1 377 32 ARG CA C 60.633 . 1 378 32 ARG CB C 30.855 . 1 379 32 ARG CG C 26.916 . 1 380 32 ARG CD C 43.155 . 1 381 32 ARG N N 119.002 . 1 382 32 ARG NE N 82.998 . 1 383 33 ASP H H 8.173 . 1 384 33 ASP HA H 4.453 . 1 385 33 ASP HB2 H 2.659 . 2 386 33 ASP HB3 H 2.766 . 2 387 33 ASP C C 179.428 . 1 388 33 ASP CA C 57.387 . 1 389 33 ASP CB C 39.873 . 1 390 33 ASP N N 118.300 . 1 391 34 SER H H 8.559 . 1 392 34 SER HA H 4.305 . 1 393 34 SER HB2 H 3.711 . 2 394 34 SER HB3 H 4.178 . 2 395 34 SER C C 175.403 . 1 396 34 SER CA C 61.740 . 1 397 34 SER CB C 63.328 . 1 398 34 SER N N 116.587 . 1 399 35 LEU H H 7.855 . 1 400 35 LEU HA H 4.506 . 1 401 35 LEU HB2 H 1.915 . 2 402 35 LEU HB3 H 1.699 . 2 403 35 LEU HG H 1.801 . 1 404 35 LEU HD1 H 0.821 . 2 405 35 LEU HD2 H 0.770 . 2 406 35 LEU C C 176.932 . 1 407 35 LEU CA C 55.358 . 1 408 35 LEU CB C 43.236 . 1 409 35 LEU CG C 28.482 . 1 410 35 LEU CD1 C 25.278 . 2 411 35 LEU CD2 C 24.446 . 2 412 35 LEU N N 118.396 . 1 413 36 LYS H H 7.750 . 1 414 36 LYS HA H 3.727 . 1 415 36 LYS HB2 H 2.027 . 2 416 36 LYS HB3 H 1.886 . 2 417 36 LYS HG2 H 1.463 . 2 418 36 LYS HG3 H 1.396 . 2 419 36 LYS HD2 H 1.674 . 2 420 36 LYS HD3 H 1.674 . 2 421 36 LYS HE2 H 2.971 . 2 422 36 LYS HE3 H 2.971 . 2 423 36 LYS C C 177.764 . 1 424 36 LYS CA C 61.723 . 1 425 36 LYS CB C 32.110 . 1 426 36 LYS CG C 24.512 . 1 427 36 LYS CD C 29.799 . 1 428 36 LYS CE C 42.115 . 1 429 36 LYS N N 120.105 . 1 430 37 LYS H H 8.619 . 1 431 37 LYS HA H 4.074 . 1 432 37 LYS HB2 H 1.862 . 2 433 37 LYS HB3 H 1.862 . 2 434 37 LYS HG2 H 1.516 . 2 435 37 LYS HG3 H 1.420 . 2 436 37 LYS HD2 H 1.727 . 2 437 37 LYS HD3 H 1.727 . 2 438 37 LYS HE2 H 3.023 . 2 439 37 LYS HE3 H 3.022 . 2 440 37 LYS C C 178.165 . 1 441 37 LYS CA C 60.113 . 1 442 37 LYS CB C 31.815 . 1 443 37 LYS CG C 25.264 . 1 444 37 LYS CD C 29.290 . 1 445 37 LYS CE C 42.184 . 1 446 37 LYS N N 120.459 . 1 447 38 ALA H H 8.383 . 1 448 38 ALA HA H 4.028 . 1 449 38 ALA HB H 1.378 . 1 450 38 ALA C C 180.924 . 1 451 38 ALA CA C 54.775 . 1 452 38 ALA CB C 17.523 . 1 453 38 ALA N N 122.321 . 1 454 39 LEU H H 8.176 . 1 455 39 LEU HA H 3.956 . 1 456 39 LEU HB2 H 1.347 . 2 457 39 LEU HB3 H 1.690 . 2 458 39 LEU HG H 1.839 . 1 459 39 LEU HD1 H 0.759 . 2 460 39 LEU HD2 H 0.763 . 2 461 39 LEU C C 179.359 . 1 462 39 LEU CA C 58.131 . 1 463 39 LEU CB C 40.133 . 1 464 39 LEU CG C 27.593 . 1 465 39 LEU CD1 C 25.778 . 2 466 39 LEU CD2 C 23.700 . 2 467 39 LEU N N 115.747 . 1 468 40 MET H H 8.535 . 1 469 40 MET HA H 4.359 . 1 470 40 MET HB2 H 2.258 . 2 471 40 MET HB3 H 2.257 . 2 472 40 MET HG2 H 2.759 . 2 473 40 MET HG3 H 2.653 . 2 474 40 MET C C 180.715 . 1 475 40 MET CA C 59.081 . 1 476 40 MET CB C 31.992 . 1 477 40 MET CG C 32.180 . 1 478 40 MET N N 121.675 . 1 479 41 MET H H 8.228 . 1 480 41 MET HA H 4.290 . 1 481 41 MET HB2 H 2.191 . 2 482 41 MET HB3 H 2.191 . 2 483 41 MET HG2 H 2.736 . 2 484 41 MET HG3 H 2.736 . 2 485 41 MET C C 176.885 . 1 486 41 MET CA C 57.999 . 1 487 41 MET CB C 32.609 . 1 488 41 MET CG C 31.984 . 1 489 41 MET N N 118.534 . 1 490 42 ARG H H 7.355 . 1 491 42 ARG HA H 4.517 . 1 492 42 ARG HB2 H 2.254 . 2 493 42 ARG HB3 H 1.571 . 2 494 42 ARG HG2 H 1.716 . 2 495 42 ARG HG3 H 1.699 . 2 496 42 ARG HD2 H 3.184 . 2 497 42 ARG HD3 H 3.078 . 2 498 42 ARG HE H 7.425 . 1 499 42 ARG C C 175.797 . 1 500 42 ARG CA C 54.857 . 1 501 42 ARG CB C 30.349 . 1 502 42 ARG CG C 27.829 . 1 503 42 ARG CD C 43.198 . 1 504 42 ARG N N 117.164 . 1 505 42 ARG NE N 85.135 . 1 506 43 GLY H H 7.891 . 1 507 43 GLY HA2 H 4.023 . 2 508 43 GLY HA3 H 3.822 . 2 509 43 GLY C C 173.886 . 1 510 43 GLY CA C 46.206 . 1 511 43 GLY N N 108.207 . 1 512 44 LEU H H 7.880 . 1 513 44 LEU HA H 4.665 . 1 514 44 LEU HB2 H 1.030 . 2 515 44 LEU HB3 H 1.538 . 2 516 44 LEU HG H 1.480 . 1 517 44 LEU HD1 H 0.790 . 2 518 44 LEU HD2 H 0.823 . 2 519 44 LEU C C 175.231 . 1 520 44 LEU CA C 53.087 . 1 521 44 LEU CB C 44.999 . 1 522 44 LEU CG C 26.754 . 1 523 44 LEU CD1 C 25.812 . 2 524 44 LEU CD2 C 23.174 . 2 525 44 LEU N N 120.153 . 1 526 45 ILE H H 7.645 . 1 527 45 ILE HA H 4.642 . 1 528 45 ILE HB H 1.975 . 1 529 45 ILE HG12 H 1.350 . 2 530 45 ILE HG13 H 1.186 . 2 531 45 ILE HG2 H 0.929 . 1 532 45 ILE HD1 H 0.875 . 1 533 45 ILE CA C 57.842 . 1 534 45 ILE CB C 39.348 . 1 535 45 ILE CG1 C 26.257 . 1 536 45 ILE CG2 C 18.172 . 1 537 45 ILE CD1 C 13.082 . 1 538 45 ILE N N 115.941 . 1 539 46 PRO HA H 3.394 . 1 540 46 PRO HB2 H 1.020 . 2 541 46 PRO HB3 H 0.316 . 2 542 46 PRO HG2 H 1.782 . 2 543 46 PRO HG3 H 1.225 . 2 544 46 PRO HD2 H 3.811 . 2 545 46 PRO HD3 H 3.692 . 2 546 46 PRO C C 176.814 . 1 547 46 PRO CA C 66.263 . 1 548 46 PRO CB C 30.280 . 1 549 46 PRO CG C 27.417 . 1 550 46 PRO CD C 50.249 . 1 551 47 GLU H H 8.708 . 1 552 47 GLU HA H 4.018 . 1 553 47 GLU HB2 H 2.021 . 2 554 47 GLU HB3 H 1.951 . 2 555 47 GLU HG2 H 2.483 . 2 556 47 GLU HG3 H 2.206 . 2 557 47 GLU C C 177.336 . 1 558 47 GLU CA C 59.817 . 1 559 47 GLU CB C 28.630 . 1 560 47 GLU CG C 37.631 . 1 561 47 GLU N N 112.294 . 1 562 48 CYS H H 7.827 . 1 563 48 CYS HA H 4.851 . 1 564 48 CYS HB2 H 3.154 . 2 565 48 CYS HB3 H 3.393 . 2 566 48 CYS C C 173.349 . 1 567 48 CYS CA C 58.467 . 1 568 48 CYS CB C 29.102 . 1 569 48 CYS N N 115.409 . 1 570 49 CYS H H 8.165 . 1 571 49 CYS HA H 5.538 . 1 572 49 CYS HB2 H 3.155 . 2 573 49 CYS HB3 H 2.985 . 2 574 49 CYS C C 172.183 . 1 575 49 CYS CA C 58.529 . 1 576 49 CYS CB C 32.891 . 1 577 49 CYS N N 117.460 . 1 578 50 ALA H H 9.360 . 1 579 50 ALA HA H 4.726 . 1 580 50 ALA HB H 1.435 . 1 581 50 ALA C C 174.972 . 1 582 50 ALA CA C 51.161 . 1 583 50 ALA CB C 22.940 . 1 584 50 ALA N N 123.560 . 1 585 51 VAL H H 8.100 . 1 586 51 VAL HA H 5.076 . 1 587 51 VAL HB H 1.330 . 1 588 51 VAL HG1 H 0.145 . 2 589 51 VAL HG2 H -0.046 . 2 590 51 VAL C C 174.489 . 1 591 51 VAL CA C 59.295 . 1 592 51 VAL CB C 33.390 . 1 593 51 VAL CG1 C 20.876 . 2 594 51 VAL CG2 C 21.090 . 2 595 51 VAL N N 118.193 . 1 596 52 TYR H H 8.821 . 1 597 52 TYR HA H 5.253 . 1 598 52 TYR HB2 H 2.630 . 2 599 52 TYR HB3 H 2.811 . 2 600 52 TYR HD1 H 6.595 . 3 601 52 TYR HD2 H 6.595 . 3 602 52 TYR HE1 H 6.346 . 3 603 52 TYR HE2 H 6.346 . 3 604 52 TYR C C 173.815 . 1 605 52 TYR CA C 56.295 . 1 606 52 TYR CB C 41.617 . 1 607 52 TYR CD1 C 133.600 . 3 608 52 TYR CD2 C 133.600 . 3 609 52 TYR CE1 C 117.808 . 3 610 52 TYR CE2 C 117.808 . 3 611 52 TYR N N 121.580 . 1 612 53 ARG H H 8.955 . 1 613 53 ARG HA H 5.117 . 1 614 53 ARG HB2 H 1.700 . 2 615 53 ARG HB3 H 2.040 . 2 616 53 ARG HG2 H 1.679 . 2 617 53 ARG HG3 H 1.518 . 2 618 53 ARG HD2 H 3.188 . 2 619 53 ARG HD3 H 2.973 . 2 620 53 ARG HE H 7.546 . 1 621 53 ARG C C 174.133 . 1 622 53 ARG CA C 53.658 . 1 623 53 ARG CB C 33.590 . 1 624 53 ARG CG C 26.762 . 1 625 53 ARG CD C 43.768 . 1 626 53 ARG N N 118.371 . 1 627 53 ARG NE N 83.740 . 1 628 54 ILE H H 9.338 . 1 629 54 ILE HA H 4.868 . 1 630 54 ILE HB H 1.733 . 1 631 54 ILE HG12 H 1.216 . 2 632 54 ILE HG13 H 0.871 . 2 633 54 ILE HG2 H 0.635 . 1 634 54 ILE HD1 H 0.424 . 1 635 54 ILE C C 176.013 . 1 636 54 ILE CA C 59.844 . 1 637 54 ILE CB C 37.715 . 1 638 54 ILE CG1 C 27.362 . 1 639 54 ILE CG2 C 16.993 . 1 640 54 ILE CD1 C 11.704 . 1 641 54 ILE N N 123.486 . 1 642 55 GLN H H 8.978 . 1 643 55 GLN HA H 4.646 . 1 644 55 GLN HB2 H 1.885 . 2 645 55 GLN HB3 H 1.804 . 2 646 55 GLN HG2 H 2.279 . 2 647 55 GLN HG3 H 2.226 . 2 648 55 GLN HE21 H 7.657 . 1 649 55 GLN HE22 H 6.875 . 1 650 55 GLN C C 175.115 . 1 651 55 GLN CA C 54.800 . 1 652 55 GLN CB C 31.822 . 1 653 55 GLN CG C 33.645 . 1 654 55 GLN CD C 179.709 . 1 655 55 GLN N N 128.571 . 1 656 55 GLN NE2 N 112.459 . 1 657 56 ASP H H 9.634 . 1 658 56 ASP HA H 4.307 . 1 659 56 ASP HB2 H 2.723 . 2 660 56 ASP HB3 H 2.953 . 2 661 56 ASP C C 175.857 . 1 662 56 ASP CA C 55.657 . 1 663 56 ASP CB C 39.421 . 1 664 56 ASP N N 128.757 . 1 665 57 GLY H H 8.291 . 1 666 57 GLY HA2 H 4.104 . 2 667 57 GLY HA3 H 3.472 . 2 668 57 GLY C C 173.507 . 1 669 57 GLY CA C 45.457 . 1 670 57 GLY N N 102.770 . 1 671 58 GLU H H 7.826 . 1 672 58 GLU HA H 4.552 . 1 673 58 GLU HB2 H 2.026 . 2 674 58 GLU HB3 H 1.955 . 2 675 58 GLU HG2 H 2.321 . 2 676 58 GLU HG3 H 2.197 . 2 677 58 GLU C C 174.719 . 1 678 58 GLU CA C 54.379 . 1 679 58 GLU CB C 31.977 . 1 680 58 GLU CG C 35.073 . 1 681 58 GLU N N 120.454 . 1 682 59 LYS H H 8.585 . 1 683 59 LYS HA H 4.322 . 1 684 59 LYS HB2 H 1.415 . 2 685 59 LYS HB3 H 1.149 . 2 686 59 LYS HG2 H 1.039 . 2 687 59 LYS HG3 H 0.646 . 2 688 59 LYS HD2 H 0.980 . 2 689 59 LYS HD3 H 0.837 . 2 690 59 LYS HE2 H 2.110 . 2 691 59 LYS HE3 H 2.043 . 2 692 59 LYS C C 176.115 . 1 693 59 LYS CA C 56.725 . 1 694 59 LYS CB C 32.705 . 1 695 59 LYS CG C 25.145 . 1 696 59 LYS CD C 29.351 . 1 697 59 LYS CE C 41.052 . 1 698 59 LYS N N 123.389 . 1 699 60 LYS H H 9.339 . 1 700 60 LYS HA H 5.010 . 1 701 60 LYS HB2 H 1.852 . 2 702 60 LYS HB3 H 1.811 . 2 703 60 LYS HG2 H 1.429 . 2 704 60 LYS HG3 H 1.429 . 2 705 60 LYS HD2 H 1.687 . 2 706 60 LYS HD3 H 1.615 . 2 707 60 LYS HE2 H 2.971 . 2 708 60 LYS HE3 H 2.912 . 2 709 60 LYS C C 173.578 . 1 710 60 LYS CA C 51.925 . 1 711 60 LYS CB C 32.916 . 1 712 60 LYS CG C 24.255 . 1 713 60 LYS CD C 28.771 . 1 714 60 LYS CE C 42.321 . 1 715 60 LYS N N 126.747 . 1 716 61 PRO HA H 4.502 . 1 717 61 PRO HB2 H 2.320 . 2 718 61 PRO HB3 H 1.875 . 2 719 61 PRO HG2 H 2.124 . 2 720 61 PRO HG3 H 2.000 . 2 721 61 PRO HD2 H 3.900 . 2 722 61 PRO HD3 H 3.826 . 2 723 61 PRO C C 176.284 . 1 724 61 PRO CA C 63.189 . 1 725 61 PRO CB C 32.725 . 1 726 61 PRO CG C 27.435 . 1 727 61 PRO CD C 51.309 . 1 728 62 ILE H H 8.068 . 1 729 62 ILE HA H 4.347 . 1 730 62 ILE HB H 1.434 . 1 731 62 ILE HG12 H 1.258 . 2 732 62 ILE HG13 H 1.258 . 2 733 62 ILE HG2 H 0.738 . 1 734 62 ILE HD1 H 0.723 . 1 735 62 ILE C C 174.924 . 1 736 62 ILE CA C 57.629 . 1 737 62 ILE CB C 40.139 . 1 738 62 ILE CG1 C 26.533 . 1 739 62 ILE CG2 C 17.448 . 1 740 62 ILE CD1 C 13.103 . 1 741 62 ILE N N 122.723 . 1 742 63 GLY H H 8.536 . 1 743 63 GLY HA2 H 4.109 . 2 744 63 GLY HA3 H 3.771 . 2 745 63 GLY C C 176.340 . 1 746 63 GLY CA C 45.451 . 1 747 63 GLY N N 111.926 . 1 748 64 TRP H H 8.971 . 1 749 64 TRP HA H 4.247 . 1 750 64 TRP HB2 H 3.236 . 2 751 64 TRP HB3 H 3.161 . 2 752 64 TRP HD1 H 7.494 . 1 753 64 TRP HE1 H 9.807 . 1 754 64 TRP HE3 H 7.329 . 1 755 64 TRP HZ2 H 7.217 . 1 756 64 TRP HZ3 H 6.780 . 1 757 64 TRP HH2 H 6.696 . 1 758 64 TRP C C 176.297 . 1 759 64 TRP CA C 60.572 . 1 760 64 TRP CB C 30.666 . 1 761 64 TRP CD1 C 127.977 . 1 762 64 TRP CE3 C 119.357 . 1 763 64 TRP CZ2 C 115.720 . 1 764 64 TRP CZ3 C 120.832 . 1 765 64 TRP CH2 C 122.561 . 1 766 64 TRP N N 125.240 . 1 767 64 TRP NE1 N 129.161 . 1 768 65 ASP H H 8.602 . 1 769 65 ASP HA H 4.915 . 1 770 65 ASP HB2 H 2.926 . 2 771 65 ASP HB3 H 2.674 . 2 772 65 ASP C C 175.072 . 1 773 65 ASP CA C 54.044 . 1 774 65 ASP CB C 40.309 . 1 775 65 ASP N N 114.142 . 1 776 66 THR H H 7.277 . 1 777 66 THR HA H 3.893 . 1 778 66 THR HB H 3.963 . 1 779 66 THR HG2 H 1.272 . 1 780 66 THR C C 172.855 . 1 781 66 THR CA C 63.213 . 1 782 66 THR CB C 70.027 . 1 783 66 THR CG2 C 21.748 . 1 784 66 THR N N 115.433 . 1 785 67 ASP H H 7.509 . 1 786 67 ASP HA H 4.193 . 1 787 67 ASP HB2 H 1.678 . 2 788 67 ASP HB3 H 1.900 . 2 789 67 ASP C C 177.302 . 1 790 67 ASP CA C 54.518 . 1 791 67 ASP CB C 41.684 . 1 792 67 ASP N N 125.656 . 1 793 68 ILE H H 9.133 . 1 794 68 ILE HA H 3.847 . 1 795 68 ILE HB H 1.407 . 1 796 68 ILE HG12 H 1.392 . 2 797 68 ILE HG13 H 1.373 . 2 798 68 ILE HG2 H 1.044 . 1 799 68 ILE HD1 H 0.801 . 1 800 68 ILE C C 176.338 . 1 801 68 ILE CA C 61.903 . 1 802 68 ILE CB C 39.726 . 1 803 68 ILE CG1 C 29.375 . 1 804 68 ILE CG2 C 19.983 . 1 805 68 ILE CD1 C 15.301 . 1 806 68 ILE N N 128.964 . 1 807 69 SER H H 8.991 . 1 808 69 SER HA H 3.891 . 1 809 69 SER HB2 H 3.911 . 2 810 69 SER HB3 H 3.525 . 2 811 69 SER C C 177.888 . 1 812 69 SER CA C 61.166 . 1 813 69 SER CB C 63.128 . 1 814 69 SER N N 118.157 . 1 815 70 TRP H H 7.966 . 1 816 70 TRP HA H 4.758 . 1 817 70 TRP HB2 H 3.273 . 2 818 70 TRP HB3 H 3.449 . 2 819 70 TRP HD1 H 7.237 . 1 820 70 TRP HE1 H 10.174 . 1 821 70 TRP HE3 H 7.689 . 1 822 70 TRP HZ2 H 7.539 . 1 823 70 TRP HZ3 H 7.200 . 1 824 70 TRP HH2 H 7.289 . 1 825 70 TRP C C 176.689 . 1 826 70 TRP CA C 57.611 . 1 827 70 TRP CB C 28.548 . 1 828 70 TRP CD1 C 125.757 . 1 829 70 TRP CE3 C 121.303 . 1 830 70 TRP CZ2 C 114.902 . 1 831 70 TRP CZ3 C 121.377 . 1 832 70 TRP CH2 C 124.947 . 1 833 70 TRP N N 124.315 . 1 834 70 TRP NE1 N 128.448 . 1 835 71 LEU H H 7.877 . 1 836 71 LEU HA H 4.496 . 1 837 71 LEU HB2 H 1.803 . 2 838 71 LEU HB3 H 1.761 . 2 839 71 LEU HG H 1.559 . 1 840 71 LEU HD1 H 0.872 . 2 841 71 LEU HD2 H 0.835 . 2 842 71 LEU C C 174.862 . 1 843 71 LEU CA C 53.183 . 1 844 71 LEU CB C 41.868 . 1 845 71 LEU CG C 27.225 . 1 846 71 LEU CD1 C 27.215 . 2 847 71 LEU CD2 C 23.277 . 2 848 71 LEU N N 118.855 . 1 849 72 THR H H 7.046 . 1 850 72 THR HA H 3.518 . 1 851 72 THR HB H 4.073 . 1 852 72 THR HG2 H 1.263 . 1 853 72 THR C C 175.562 . 1 854 72 THR CA C 65.579 . 1 855 72 THR CB C 69.238 . 1 856 72 THR CG2 C 22.046 . 1 857 72 THR N N 113.756 . 1 858 73 GLY H H 9.043 . 1 859 73 GLY HA2 H 3.904 . 2 860 73 GLY HA3 H 4.289 . 2 861 73 GLY C C 174.358 . 1 862 73 GLY CA C 45.738 . 1 863 73 GLY N N 114.559 . 1 864 74 GLU H H 8.317 . 1 865 74 GLU HA H 4.686 . 1 866 74 GLU HB2 H 2.136 . 2 867 74 GLU HB3 H 2.152 . 2 868 74 GLU HG2 H 2.215 . 2 869 74 GLU HG3 H 2.215 . 2 870 74 GLU C C 174.541 . 1 871 74 GLU CA C 55.169 . 1 872 74 GLU CB C 30.446 . 1 873 74 GLU CG C 35.283 . 1 874 74 GLU N N 119.115 . 1 875 75 GLU H H 8.461 . 1 876 75 GLU HA H 5.174 . 1 877 75 GLU HB2 H 2.096 . 2 878 75 GLU HB3 H 1.868 . 2 879 75 GLU HG2 H 2.410 . 2 880 75 GLU HG3 H 2.094 . 2 881 75 GLU C C 175.718 . 1 882 75 GLU CA C 54.552 . 1 883 75 GLU CB C 31.572 . 1 884 75 GLU CG C 36.885 . 1 885 75 GLU N N 118.216 . 1 886 76 LEU H H 8.993 . 1 887 76 LEU HA H 4.962 . 1 888 76 LEU HB2 H 1.233 . 2 889 76 LEU HB3 H 1.521 . 2 890 76 LEU HG H 1.541 . 1 891 76 LEU HD1 H 0.665 . 2 892 76 LEU HD2 H 0.712 . 2 893 76 LEU C C 175.693 . 1 894 76 LEU CA C 52.950 . 1 895 76 LEU CB C 44.692 . 1 896 76 LEU CG C 26.990 . 1 897 76 LEU CD1 C 25.055 . 2 898 76 LEU CD2 C 23.709 . 2 899 76 LEU N N 123.399 . 1 900 77 HIS H H 9.181 . 1 901 77 HIS HA H 5.078 . 1 902 77 HIS HB2 H 2.682 . 2 903 77 HIS HB3 H 1.830 . 2 904 77 HIS HD2 H 6.955 . 1 905 77 HIS HE1 H 8.019 . 1 906 77 HIS C C 172.642 . 1 907 77 HIS CA C 54.396 . 1 908 77 HIS CB C 30.441 . 1 909 77 HIS CD2 C 118.364 . 1 910 77 HIS CE1 C 136.223 . 1 911 77 HIS N N 120.029 . 1 912 78 VAL H H 8.553 . 1 913 78 VAL HA H 4.993 . 1 914 78 VAL HB H 2.013 . 1 915 78 VAL HG1 H 0.990 . 2 916 78 VAL HG2 H 0.780 . 2 917 78 VAL C C 174.856 . 1 918 78 VAL CA C 60.845 . 1 919 78 VAL CB C 33.829 . 1 920 78 VAL CG1 C 21.513 . 2 921 78 VAL CG2 C 21.866 . 2 922 78 VAL N N 122.192 . 1 923 79 GLU H H 9.145 . 1 924 79 GLU HA H 4.977 . 1 925 79 GLU HB2 H 2.024 . 2 926 79 GLU HB3 H 2.163 . 2 927 79 GLU HG2 H 2.368 . 2 928 79 GLU HG3 H 2.241 . 2 929 79 GLU C C 174.938 . 1 930 79 GLU CA C 53.453 . 1 931 79 GLU CB C 33.759 . 1 932 79 GLU CG C 35.486 . 1 933 79 GLU N N 125.174 . 1 934 80 VAL H H 8.831 . 1 935 80 VAL HA H 4.450 . 1 936 80 VAL HB H 2.071 . 1 937 80 VAL HG1 H 1.091 . 2 938 80 VAL HG2 H 1.073 . 2 939 80 VAL C C 176.779 . 1 940 80 VAL CA C 63.078 . 1 941 80 VAL CB C 32.474 . 1 942 80 VAL CG1 C 21.715 . 2 943 80 VAL CG2 C 22.211 . 2 944 80 VAL N N 122.494 . 1 945 81 LEU H H 8.707 . 1 946 81 LEU HA H 4.358 . 1 947 81 LEU HB2 H 1.643 . 2 948 81 LEU HB3 H 1.487 . 2 949 81 LEU HG H 1.460 . 1 950 81 LEU HD1 H 0.911 . 2 951 81 LEU HD2 H 0.909 . 2 952 81 LEU C C 177.088 . 1 953 81 LEU CA C 55.392 . 1 954 81 LEU CB C 42.389 . 1 955 81 LEU CG C 27.193 . 1 956 81 LEU CD1 C 25.518 . 2 957 81 LEU CD2 C 23.116 . 2 958 81 LEU N N 127.888 . 1 959 82 GLU H H 8.389 . 1 960 82 GLU HA H 4.355 . 1 961 82 GLU HB2 H 2.075 . 2 962 82 GLU HB3 H 1.948 . 2 963 82 GLU HG2 H 2.379 . 2 964 82 GLU HG3 H 2.326 . 2 965 82 GLU C C 175.787 . 1 966 82 GLU CA C 56.107 . 1 967 82 GLU CB C 30.144 . 1 968 82 GLU CG C 35.066 . 1 969 82 GLU N N 120.666 . 1 970 83 ASN H H 8.496 . 1 971 83 ASN HA H 4.696 . 1 972 83 ASN HB2 H 2.797 . 2 973 83 ASN HB3 H 2.753 . 2 974 83 ASN HD21 H 7.625 . 1 975 83 ASN HD22 H 6.915 . 1 976 83 ASN C C 174.544 . 1 977 83 ASN CA C 53.181 . 1 978 83 ASN CB C 38.929 . 1 979 83 ASN CG C 177.252 . 1 980 83 ASN N N 119.027 . 1 981 83 ASN ND2 N 113.094 . 1 982 84 VAL H H 8.050 . 1 983 84 VAL HA H 4.422 . 1 984 84 VAL HB H 2.088 . 1 985 84 VAL HG1 H 0.987 . 2 986 84 VAL HG2 H 0.951 . 2 987 84 VAL C C 174.404 . 1 988 84 VAL CA C 59.948 . 1 989 84 VAL CB C 32.712 . 1 990 84 VAL CG1 C 21.173 . 2 991 84 VAL CG2 C 20.562 . 2 992 84 VAL N N 121.763 . 1 993 85 PRO HA H 4.438 . 1 994 85 PRO HB2 H 2.259 . 2 995 85 PRO HB3 H 1.975 . 2 996 85 PRO HG2 H 2.064 . 2 997 85 PRO HG3 H 1.974 . 2 998 85 PRO HD2 H 3.860 . 2 999 85 PRO HD3 H 3.694 . 2 1000 85 PRO C C 176.022 . 1 1001 85 PRO CA C 63.457 . 1 1002 85 PRO CB C 31.762 . 1 1003 85 PRO CG C 27.401 . 1 1004 85 PRO CD C 51.031 . 1 1005 86 LEU H H 7.951 . 1 1006 86 LEU HA H 4.183 . 1 1007 86 LEU HB2 H 1.580 . 2 1008 86 LEU HB3 H 1.580 . 2 1009 86 LEU HG H 1.673 . 1 1010 86 LEU HD1 H 0.923 . 2 1011 86 LEU HD2 H 0.885 . 2 1012 86 LEU CA C 56.568 . 1 1013 86 LEU CB C 43.397 . 1 1014 86 LEU CG C 27.217 . 1 1015 86 LEU CD1 C 25.282 . 2 1016 86 LEU CD2 C 23.678 . 2 1017 86 LEU N N 128.140 . 1 cwd: /data/PSVS/PSVS-v1.4-dev/results/HR4694F_NMR_em_bcr3 command to execute is: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign -c /data/PSVS/PSVS-v1.4-dev/results/HR4694F_NMR_em_bcr3/rpf_calc/input/ctrl_file -o rpf_calc -q HR4694F_NMR_em_bcr3.pdb.iupac 2>&1| ASDP Version 1.0 Copyright(C) 2010 Center for Advanced Biotechnology and Medicine (CABM) Rutgers University Reading Control_File ...  Doing SimpleMatch for n.peaks ...   Doing SimpleMatch for c_aro.peaks ...   Doing SimpleMatch for c_ali.peaks ...   Reading ComparePdbFile: HR4694F_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4694F_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4694F_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4694F_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4694F_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4694F_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4694F_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4694F_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4694F_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4694F_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4694F_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4694F_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4694F_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4694F_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4694F_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4694F_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4694F_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4694F_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4694F_NMR_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4694F_NMR_em_bcr3.pdb.iupac  quality-estimation for n.peaks ...   Doing Recall analysis for n.peaks ...  Doing Precision analysis for n.peaks ...  Doing Recall analysis for n.peaks ...  Doing Precision analysis for n.peaks ... prtSimleMatchPeakAtom for n.peaks ...   quality-estimation for c_aro.peaks ...   Doing Recall analysis for c_aro.peaks ...  Doing Precision analysis for c_aro.peaks ...  Doing Recall analysis for c_aro.peaks ...  Doing Precision analysis for c_aro.peaks ... prtSimleMatchPeakAtom for c_aro.peaks ...   quality-estimation for c_ali.peaks ...   Doing Recall analysis for c_ali.peaks ...  Doing Precision analysis for c_ali.peaks ...  Doing Recall analysis for c_ali.peaks ...  Doing Precision analysis for c_ali.peaks ... prtSimleMatchPeakAtom for c_ali.peaks ...