AS object created. control filepath is: /data/PSVS/PSVS-v1.4-dev/results/HR4527E_R3Cons_em_bcr3/rpf_calc/input/ctrl_file bmrb: chem_shift.bmrb sequence: HR4527E_R3Cons_em_bcr3_seq.bmrb parsing bmrb: /data/PSVS/PSVS-v1.4-dev/results/HR4527E_R3Cons_em_bcr3/rpf_calc/input/chem_shift.bmrb new residue 10 adding: *1* *10* *His* *HA* *H* *4.584* *.* *1* old residue 10 adding: *2* *10* *His* *HB2* *H* *3.058* *.* *2* old residue 10 adding: *3* *10* *His* *HB3* *H* *3.057* *.* *2* old residue 10 adding: *4* *10* *His* *HD2* *H* *7.005* *.* *1* old residue 10 adding: *5* *10* *His* *CA* *C* *56.144* *.* *1* old residue 10 adding: *6* *10* *His* *CB* *C* *30.024* *.* *1* old residue 10 adding: *7* *10* *His* *CD2* *C* *119.732* *.* *1* new residue 11 adding: *8* *11* *Met* *H* *H* *8.102* *.* *1* old residue 11 adding: *9* *11* *Met* *HA* *H* *4.318* *.* *1* old residue 11 adding: *10* *11* *Met* *HB2* *H* *1.894* *.* *2* old residue 11 adding: *11* *11* *Met* *HB3* *H* *1.892* *.* *2* old residue 11 adding: *12* *11* *Met* *HG2* *H* *2.315* *.* *2* old residue 11 adding: *13* *11* *Met* *HG3* *H* *2.249* *.* *2* old residue 11 adding: *14* *11* *Met* *HE* *H* *1.768* *.* *1* old residue 11 adding: *15* *11* *Met* *CA* *C* *55.347* *.* *1* old residue 11 adding: *16* *11* *Met* *CB* *C* *32.096* *.* *1* old residue 11 adding: *17* *11* *Met* *CG* *C* *31.621* *.* *1* old residue 11 adding: *18* *11* *Met* *CE* *C* *16.186* *.* *1* old residue 11 adding: *19* *11* *Met* *N* *N* *119.730* *.* *1* new residue 12 adding: *20* *12* *Leu* *H* *H* *7.857* *.* *1* old residue 12 adding: *21* *12* *Leu* *HA* *H* *4.609* *.* *1* old residue 12 adding: *22* *12* *Leu* *HB2* *H* *1.598* *.* *2* old residue 12 adding: *23* *12* *Leu* *HB3* *H* *1.375* *.* *2* old residue 12 adding: *24* *12* *Leu* *HG* *H* *1.463* *.* *1* old residue 12 adding: *25* *12* *Leu* *HD1* *H* *0.745* *.* *2* old residue 12 adding: *26* *12* *Leu* *HD2* *H* *0.662* *.* *2* old residue 12 adding: *27* *12* *Leu* *CA* *C* *53.770* *.* *1* old residue 12 adding: *28* *12* *Leu* *CB* *C* *43.730* *.* *1* old residue 12 adding: *29* *12* *Leu* *CG* *C* *26.471* *.* *1* old residue 12 adding: *30* *12* *Leu* *CD1* *C* *24.910* *.* *1* old residue 12 adding: *31* *12* *Leu* *CD2* *C* *22.699* *.* *1* old residue 12 adding: *32* *12* *Leu* *N* *N* *120.405* *.* *1* new residue 13 adding: *33* *13* *Thr* *H* *H* *8.438* *.* *1* old residue 13 adding: *34* *13* *Thr* *HA* *H* *4.334* *.* *1* old residue 13 adding: *35* *13* *Thr* *HB* *H* *4.481* *.* *1* old residue 13 adding: *36* *13* *Thr* *HG2* *H* *1.102* *.* *1* old residue 13 adding: *37* *13* *Thr* *CA* *C* *60.928* *.* *1* old residue 13 adding: *38* *13* *Thr* *CB* *C* *70.504* *.* *1* old residue 13 adding: *39* *13* *Thr* *CG2* *C* *21.440* *.* *1* old residue 13 adding: *40* *13* *Thr* *N* *N* *110.786* *.* *1* new residue 14 adding: *41* *14* *Lys* *H* *H* *8.882* *.* *1* old residue 14 adding: *42* *14* *Lys* *HA* *H* *4.100* *.* *1* old residue 14 adding: *43* *14* *Lys* *HB2* *H* *1.646* *.* *2* old residue 14 adding: *44* *14* *Lys* *HB3* *H* *1.646* *.* *2* old residue 14 adding: *45* *14* *Lys* *HG2* *H* *1.201* *.* *2* old residue 14 adding: *46* *14* *Lys* *HG3* *H* *1.098* *.* *2* old residue 14 adding: *47* *14* *Lys* *HD2* *H* *1.583* *.* *2* old residue 14 adding: *48* *14* *Lys* *HD3* *H* *1.582* *.* *2* old residue 14 adding: *49* *14* *Lys* *HE2* *H* *2.913* *.* *2* old residue 14 adding: *50* *14* *Lys* *HE3* *H* *2.910* *.* *2* old residue 14 adding: *51* *14* *Lys* *CA* *C* *57.394* *.* *1* old residue 14 adding: *52* *14* *Lys* *CB* *C* *31.920* *.* *1* old residue 14 adding: *53* *14* *Lys* *CG* *C* *23.952* *.* *1* old residue 14 adding: *54* *14* *Lys* *CD* *C* *28.780* *.* *1* old residue 14 adding: *55* *14* *Lys* *CE* *C* *41.780* *.* *1* old residue 14 adding: *56* *14* *Lys* *N* *N* *121.792* *.* *1* new residue 15 adding: *57* *15* *His* *H* *H* *7.933* *.* *1* old residue 15 adding: *58* *15* *His* *HA* *H* *4.722* *.* *1* old residue 15 adding: *59* *15* *His* *HB2* *H* *3.326* *.* *2* old residue 15 adding: *60* *15* *His* *HB3* *H* *2.964* *.* *2* old residue 15 adding: *61* *15* *His* *HD2* *H* *7.164* *.* *1* old residue 15 adding: *62* *15* *His* *CA* *C* *55.054* *.* *1* old residue 15 adding: *63* *15* *His* *CB* *C* *29.330* *.* *1* old residue 15 adding: *64* *15* *His* *CD2* *C* *119.628* *.* *1* old residue 15 adding: *65* *15* *His* *N* *N* *116.562* *.* *1* new residue 16 adding: *66* *16* *Gly* *H* *H* *8.289* *.* *1* old residue 16 adding: *67* *16* *Gly* *HA2* *H* *3.669* *.* *2* old residue 16 adding: *68* *16* *Gly* *HA3* *H* *3.972* *.* *2* old residue 16 adding: *69* *16* *Gly* *CA* *C* *45.702* *.* *1* old residue 16 adding: *70* *16* *Gly* *N* *N* *108.560* *.* *1* new residue 17 adding: *71* *17* *Lys* *H* *H* *7.598* *.* *1* old residue 17 adding: *72* *17* *Lys* *HA* *H* *4.452* *.* *1* old residue 17 adding: *73* *17* *Lys* *HB2* *H* *1.721* *.* *2* old residue 17 adding: *74* *17* *Lys* *HB3* *H* *1.720* *.* *2* old residue 17 adding: *75* *17* *Lys* *HG2* *H* *1.238* *.* *2* old residue 17 adding: *76* *17* *Lys* *HG3* *H* *1.270* *.* *2* old residue 17 adding: *77* *17* *Lys* *HD2* *H* *1.509* *.* *2* old residue 17 adding: *78* *17* *Lys* *HD3* *H* *1.509* *.* *2* old residue 17 adding: *79* *17* *Lys* *HE2* *H* *2.846* *.* *2* old residue 17 adding: *80* *17* *Lys* *HE3* *H* *2.856* *.* *2* old residue 17 adding: *81* *17* *Lys* *CA* *C* *54.364* *.* *1* old residue 17 adding: *82* *17* *Lys* *CB* *C* *34.028* *.* *1* old residue 17 adding: *83* *17* *Lys* *CG* *C* *24.910* *.* *1* old residue 17 adding: *84* *17* *Lys* *CD* *C* *28.780* *.* *1* old residue 17 adding: *85* *17* *Lys* *CE* *C* *41.780* *.* *1* old residue 17 adding: *86* *17* *Lys* *N* *N* *118.491* *.* *1* new residue 18 adding: *87* *18* *Asn* *H* *H* *8.783* *.* *1* old residue 18 adding: *88* *18* *Asn* *HA* *H* *4.849* *.* *1* old residue 18 adding: *89* *18* *Asn* *HB2* *H* *2.859* *.* *2* old residue 18 adding: *90* *18* *Asn* *HB3* *H* *2.860* *.* *2* old residue 18 adding: *91* *18* *Asn* *HD21* *H* *7.921* *.* *2* old residue 18 adding: *92* *18* *Asn* *HD22* *H* *7.121* *.* *2* old residue 18 adding: *93* *18* *Asn* *CA* *C* *50.950* *.* *1* old residue 18 adding: *94* *18* *Asn* *CB* *C* *38.544* *.* *1* old residue 18 adding: *95* *18* *Asn* *N* *N* *121.134* *.* *1* old residue 18 adding: *96* *18* *Asn* *ND2* *N* *114.693* *.* *1* new residue 19 adding: *97* *19* *Pro* *HA* *H* *3.987* *.* *1* old residue 19 adding: *98* *19* *Pro* *HB2* *H* *1.980* *.* *2* old residue 19 adding: *99* *19* *Pro* *HB3* *H* *1.984* *.* *2* old residue 19 adding: *100* *19* *Pro* *HG2* *H* *1.960* *.* *2* old residue 19 adding: *101* *19* *Pro* *HG3* *H* *1.867* *.* *2* old residue 19 adding: *102* *19* *Pro* *HD2* *H* *4.023* *.* *2* old residue 19 adding: *103* *19* *Pro* *HD3* *H* *3.791* *.* *2* old residue 19 adding: *104* *19* *Pro* *CA* *C* *64.880* *.* *1* old residue 19 adding: *105* *19* *Pro* *CB* *C* *32.458* *.* *1* old residue 19 adding: *106* *19* *Pro* *CG* *C* *27.996* *.* *1* old residue 19 adding: *107* *19* *Pro* *CD* *C* *50.752* *.* *1* new residue 20 adding: *108* *20* *Val* *H* *H* *7.594* *.* *1* old residue 20 adding: *109* *20* *Val* *HA* *H* *3.385* *.* *1* old residue 20 adding: *110* *20* *Val* *HB* *H* *1.938* *.* *1* old residue 20 adding: *111* *20* *Val* *HG1* *H* *0.745* *.* *2* old residue 20 adding: *112* *20* *Val* *HG2* *H* *0.729* *.* *2* old residue 20 adding: *113* *20* *Val* *CA* *C* *65.785* *.* *1* old residue 20 adding: *114* *20* *Val* *CB* *C* *31.442* *.* *1* old residue 20 adding: *115* *20* *Val* *CG1* *C* *20.537* *.* *1* old residue 20 adding: *116* *20* *Val* *CG2* *C* *22.467* *.* *1* old residue 20 adding: *117* *20* *Val* *N* *N* *116.615* *.* *1* new residue 21 adding: *118* *21* *Met* *H* *H* *7.120* *.* *1* old residue 21 adding: *119* *21* *Met* *HA* *H* *4.144* *.* *1* old residue 21 adding: *120* *21* *Met* *HB2* *H* *2.058* *.* *2* old residue 21 adding: *121* *21* *Met* *HB3* *H* *2.149* *.* *2* old residue 21 adding: *122* *21* *Met* *HG2* *H* *2.628* *.* *2* old residue 21 adding: *123* *21* *Met* *HG3* *H* *2.457* *.* *2* old residue 21 adding: *124* *21* *Met* *HE* *H* *2.056* *.* *1* old residue 21 adding: *125* *21* *Met* *CA* *C* *57.745* *.* *1* old residue 21 adding: *126* *21* *Met* *CB* *C* *32.010* *.* *1* old residue 21 adding: *127* *21* *Met* *CG* *C* *32.070* *.* *1* old residue 21 adding: *128* *21* *Met* *CE* *C* *17.058* *.* *1* old residue 21 adding: *129* *21* *Met* *N* *N* *119.057* *.* *1* new residue 22 adding: *130* *22* *Glu* *H* *H* *8.232* *.* *1* old residue 22 adding: *131* *22* *Glu* *HA* *H* *3.889* *.* *1* old residue 22 adding: *132* *22* *Glu* *HB2* *H* *1.842* *.* *2* old residue 22 adding: *133* *22* *Glu* *HB3* *H* *1.943* *.* *2* old residue 22 adding: *134* *22* *Glu* *HG2* *H* *2.067* *.* *2* old residue 22 adding: *135* *22* *Glu* *HG3* *H* *2.118* *.* *2* old residue 22 adding: *136* *22* *Glu* *CA* *C* *59.271* *.* *1* old residue 22 adding: *137* *22* *Glu* *CB* *C* *29.303* *.* *1* old residue 22 adding: *138* *22* *Glu* *CG* *C* *36.010* *.* *1* old residue 22 adding: *139* *22* *Glu* *N* *N* *120.421* *.* *1* new residue 23 adding: *140* *23* *Leu* *H* *H* *8.383* *.* *1* old residue 23 adding: *141* *23* *Leu* *HA* *H* *3.931* *.* *1* old residue 23 adding: *142* *23* *Leu* *HB2* *H* *2.016* *.* *2* old residue 23 adding: *143* *23* *Leu* *HB3* *H* *1.259* *.* *2* old residue 23 adding: *144* *23* *Leu* *HG* *H* *1.610* *.* *1* old residue 23 adding: *145* *23* *Leu* *HD1* *H* *0.787* *.* *2* old residue 23 adding: *146* *23* *Leu* *HD2* *H* *0.912* *.* *2* old residue 23 adding: *147* *23* *Leu* *CA* *C* *57.734* *.* *1* old residue 23 adding: *148* *23* *Leu* *CB* *C* *40.481* *.* *1* old residue 23 adding: *149* *23* *Leu* *CG* *C* *26.770* *.* *1* old residue 23 adding: *150* *23* *Leu* *CD1* *C* *22.272* *.* *1* old residue 23 adding: *151* *23* *Leu* *CD2* *C* *26.040* *.* *1* old residue 23 adding: *152* *23* *Leu* *N* *N* *119.181* *.* *1* new residue 24 adding: *153* *24* *Asn* *H* *H* *7.743* *.* *1* old residue 24 adding: *154* *24* *Asn* *HA* *H* *4.629* *.* *1* old residue 24 adding: *155* *24* *Asn* *HB2* *H* *2.922* *.* *2* old residue 24 adding: *156* *24* *Asn* *HB3* *H* *2.857* *.* *2* old residue 24 adding: *157* *24* *Asn* *HD21* *H* *7.871* *.* *2* old residue 24 adding: *158* *24* *Asn* *HD22* *H* *6.978* *.* *2* old residue 24 adding: *159* *24* *Asn* *CA* *C* *54.698* *.* *1* old residue 24 adding: *160* *24* *Asn* *CB* *C* *38.331* *.* *1* old residue 24 adding: *161* *24* *Asn* *N* *N* *116.978* *.* *1* old residue 24 adding: *162* *24* *Asn* *ND2* *N* *115.411* *.* *1* new residue 25 adding: *163* *25* *Glu* *H* *H* *7.363* *.* *1* old residue 25 adding: *164* *25* *Glu* *HA* *H* *3.972* *.* *1* old residue 25 adding: *165* *25* *Glu* *HB2* *H* *1.993* *.* *2* old residue 25 adding: *166* *25* *Glu* *HB3* *H* *2.095* *.* *2* old residue 25 adding: *167* *25* *Glu* *HG2* *H* *2.216* *.* *2* old residue 25 adding: *168* *25* *Glu* *HG3* *H* *2.445* *.* *2* old residue 25 adding: *169* *25* *Glu* *CA* *C* *57.778* *.* *1* old residue 25 adding: *170* *25* *Glu* *CB* *C* *29.473* *.* *1* old residue 25 adding: *171* *25* *Glu* *CG* *C* *36.171* *.* *1* old residue 25 adding: *172* *25* *Glu* *N* *N* *115.271* *.* *1* new residue 26 adding: *173* *26* *Lys* *H* *H* *7.266* *.* *1* old residue 26 adding: *174* *26* *Lys* *HA* *H* *4.103* *.* *1* old residue 26 adding: *175* *26* *Lys* *HB2* *H* *1.308* *.* *2* old residue 26 adding: *176* *26* *Lys* *HB3* *H* *1.518* *.* *2* old residue 26 adding: *177* *26* *Lys* *HG2* *H* *0.747* *.* *2* old residue 26 adding: *178* *26* *Lys* *HG3* *H* *1.205* *.* *2* old residue 26 adding: *179* *26* *Lys* *HD2* *H* *0.849* *.* *2* old residue 26 adding: *180* *26* *Lys* *HD3* *H* *0.897* *.* *2* old residue 26 adding: *181* *26* *Lys* *HE2* *H* *2.515* *.* *2* old residue 26 adding: *182* *26* *Lys* *HE3* *H* *2.518* *.* *2* old residue 26 adding: *183* *26* *Lys* *CA* *C* *56.048* *.* *1* old residue 26 adding: *184* *26* *Lys* *CB* *C* *33.484* *.* *1* old residue 26 adding: *185* *26* *Lys* *CG* *C* *23.978* *.* *1* old residue 26 adding: *186* *26* *Lys* *CD* *C* *27.681* *.* *1* old residue 26 adding: *187* *26* *Lys* *CE* *C* *42.018* *.* *1* old residue 26 adding: *188* *26* *Lys* *N* *N* *116.251* *.* *1* new residue 27 adding: *189* *27* *Arg* *H* *H* *8.158* *.* *1* old residue 27 adding: *190* *27* *Arg* *HA* *H* *4.619* *.* *1* old residue 27 adding: *191* *27* *Arg* *HB2* *H* *1.775* *.* *2* old residue 27 adding: *192* *27* *Arg* *HB3* *H* *1.698* *.* *2* old residue 27 adding: *193* *27* *Arg* *HG2* *H* *1.417* *.* *2* old residue 27 adding: *194* *27* *Arg* *HG3* *H* *1.518* *.* *2* old residue 27 adding: *195* *27* *Arg* *HD2* *H* *3.184* *.* *2* old residue 27 adding: *196* *27* *Arg* *HD3* *H* *3.586* *.* *2* old residue 27 adding: *197* *27* *Arg* *HE* *H* *9.135* *.* *1* old residue 27 adding: *198* *27* *Arg* *CA* *C* *52.505* *.* *1* old residue 27 adding: *199* *27* *Arg* *CB* *C* *32.721* *.* *1* old residue 27 adding: *200* *27* *Arg* *CG* *C* *26.703* *.* *1* old residue 27 adding: *201* *27* *Arg* *CD* *C* *42.179* *.* *1* old residue 27 adding: *202* *27* *Arg* *N* *N* *120.876* *.* *1* old residue 27 adding: *203* *27* *Arg* *NE* *N* *85.606* *.* *1* new residue 28 adding: *204* *28* *Arg* *H* *H* *8.350* *.* *1* old residue 28 adding: *205* *28* *Arg* *HA* *H* *4.407* *.* *1* old residue 28 adding: *206* *28* *Arg* *HB2* *H* *1.786* *.* *2* old residue 28 adding: *207* *28* *Arg* *HB3* *H* *1.766* *.* *2* old residue 28 adding: *208* *28* *Arg* *HG2* *H* *1.660* *.* *2* old residue 28 adding: *209* *28* *Arg* *HG3* *H* *1.662* *.* *2* old residue 28 adding: *210* *28* *Arg* *HD2* *H* *3.161* *.* *2* old residue 28 adding: *211* *28* *Arg* *HD3* *H* *3.208* *.* *2* old residue 28 adding: *212* *28* *Arg* *CA* *C* *55.680* *.* *1* old residue 28 adding: *213* *28* *Arg* *CB* *C* *30.867* *.* *1* old residue 28 adding: *214* *28* *Arg* *CG* *C* *27.038* *.* *1* old residue 28 adding: *215* *28* *Arg* *CD* *C* *43.100* *.* *1* old residue 28 adding: *216* *28* *Arg* *N* *N* *122.416* *.* *1* new residue 29 adding: *217* *29* *Gly* *H* *H* *8.586* *.* *1* old residue 29 adding: *218* *29* *Gly* *HA2* *H* *3.830* *.* *2* old residue 29 adding: *219* *29* *Gly* *HA3* *H* *3.870* *.* *2* old residue 29 adding: *220* *29* *Gly* *CA* *C* *46.262* *.* *1* old residue 29 adding: *221* *29* *Gly* *N* *N* *108.952* *.* *1* new residue 30 adding: *222* *30* *Leu* *H* *H* *8.111* *.* *1* old residue 30 adding: *223* *30* *Leu* *HA* *H* *4.225* *.* *1* old residue 30 adding: *224* *30* *Leu* *HB2* *H* *1.691* *.* *2* old residue 30 adding: *225* *30* *Leu* *HB3* *H* *0.897* *.* *2* old residue 30 adding: *226* *30* *Leu* *HG* *H* *1.540* *.* *1* old residue 30 adding: *227* *30* *Leu* *HD1* *H* *0.769* *.* *2* old residue 30 adding: *228* *30* *Leu* *HD2* *H* *0.868* *.* *2* old residue 30 adding: *229* *30* *Leu* *CA* *C* *54.951* *.* *1* old residue 30 adding: *230* *30* *Leu* *CB* *C* *41.578* *.* *1* old residue 30 adding: *231* *30* *Leu* *CG* *C* *26.060* *.* *1* old residue 30 adding: *232* *30* *Leu* *CD1* *C* *26.767* *.* *1* old residue 30 adding: *233* *30* *Leu* *CD2* *C* *22.288* *.* *1* old residue 30 adding: *234* *30* *Leu* *N* *N* *119.363* *.* *1* new residue 31 adding: *235* *31* *Lys* *H* *H* *8.494* *.* *1* old residue 31 adding: *236* *31* *Lys* *HA* *H* *4.599* *.* *1* old residue 31 adding: *237* *31* *Lys* *HB2* *H* *1.786* *.* *2* old residue 31 adding: *238* *31* *Lys* *HB3* *H* *1.700* *.* *2* old residue 31 adding: *239* *31* *Lys* *HG2* *H* *1.407* *.* *2* old residue 31 adding: *240* *31* *Lys* *HG3* *H* *1.299* *.* *2* old residue 31 adding: *241* *31* *Lys* *HD2* *H* *1.671* *.* *2* old residue 31 adding: *242* *31* *Lys* *HD3* *H* *1.673* *.* *2* old residue 31 adding: *243* *31* *Lys* *HE2* *H* *2.968* *.* *2* old residue 31 adding: *244* *31* *Lys* *HE3* *H* *2.969* *.* *2* old residue 31 adding: *245* *31* *Lys* *CA* *C* *54.656* *.* *1* old residue 31 adding: *246* *31* *Lys* *CB* *C* *34.201* *.* *1* old residue 31 adding: *247* *31* *Lys* *CG* *C* *24.467* *.* *1* old residue 31 adding: *248* *31* *Lys* *CD* *C* *28.918* *.* *1* old residue 31 adding: *249* *31* *Lys* *CE* *C* *41.780* *.* *1* old residue 31 adding: *250* *31* *Lys* *N* *N* *121.744* *.* *1* new residue 32 adding: *251* *32* *Tyr* *H* *H* *8.680* *.* *1* old residue 32 adding: *252* *32* *Tyr* *HA* *H* *4.944* *.* *1* old residue 32 adding: *253* *32* *Tyr* *HB2* *H* *2.513* *.* *2* old residue 32 adding: *254* *32* *Tyr* *HB3* *H* *2.856* *.* *2* old residue 32 adding: *255* *32* *Tyr* *HD1* *H* *6.819* *.* *1* old residue 32 adding: *256* *32* *Tyr* *HD2* *H* *6.819* *.* *1* old residue 32 adding: *257* *32* *Tyr* *HE1* *H* *6.663* *.* *1* old residue 32 adding: *258* *32* *Tyr* *HE2* *H* *6.663* *.* *1* old residue 32 adding: *259* *32* *Tyr* *CA* *C* *56.764* *.* *1* old residue 32 adding: *260* *32* *Tyr* *CB* *C* *39.337* *.* *1* old residue 32 adding: *261* *32* *Tyr* *CD1* *C* *132.711* *.* *1* old residue 32 adding: *262* *32* *Tyr* *CD2* *C* *132.832* *.* *1* old residue 32 adding: *263* *32* *Tyr* *CE1* *C* *117.475* *.* *1* old residue 32 adding: *264* *32* *Tyr* *CE2* *C* *117.436* *.* *1* old residue 32 adding: *265* *32* *Tyr* *N* *N* *124.248* *.* *1* new residue 33 adding: *266* *33* *Glu* *H* *H* *9.441* *.* *1* old residue 33 adding: *267* *33* *Glu* *HA* *H* *4.634* *.* *1* old residue 33 adding: *268* *33* *Glu* *HB2* *H* *1.943* *.* *2* old residue 33 adding: *269* *33* *Glu* *HB3* *H* *1.814* *.* *2* old residue 33 adding: *270* *33* *Glu* *HG2* *H* *2.219* *.* *2* old residue 33 adding: *271* *33* *Glu* *HG3* *H* *2.060* *.* *2* old residue 33 adding: *272* *33* *Glu* *CA* *C* *54.211* *.* *1* old residue 33 adding: *273* *33* *Glu* *CB* *C* *32.610* *.* *1* old residue 33 adding: *274* *33* *Glu* *CG* *C* *35.425* *.* *1* old residue 33 adding: *275* *33* *Glu* *N* *N* *124.370* *.* *1* new residue 34 adding: *276* *34* *Leu* *H* *H* *8.791* *.* *1* old residue 34 adding: *277* *34* *Leu* *HA* *H* *4.975* *.* *1* old residue 34 adding: *278* *34* *Leu* *HB2* *H* *1.995* *.* *2* old residue 34 adding: *279* *34* *Leu* *HB3* *H* *1.421* *.* *2* old residue 34 adding: *280* *34* *Leu* *HG* *H* *1.515* *.* *1* old residue 34 adding: *281* *34* *Leu* *HD1* *H* *1.216* *.* *2* old residue 34 adding: *282* *34* *Leu* *HD2* *H* *1.060* *.* *2* old residue 34 adding: *283* *34* *Leu* *CA* *C* *54.951* *.* *1* old residue 34 adding: *284* *34* *Leu* *CB* *C* *41.622* *.* *1* old residue 34 adding: *285* *34* *Leu* *CG* *C* *27.401* *.* *1* old residue 34 adding: *286* *34* *Leu* *CD1* *C* *25.002* *.* *1* old residue 34 adding: *287* *34* *Leu* *CD2* *C* *26.575* *.* *1* old residue 34 adding: *288* *34* *Leu* *N* *N* *126.771* *.* *1* new residue 35 adding: *289* *35* *Ile* *H* *H* *8.979* *.* *1* old residue 35 adding: *290* *35* *Ile* *HA* *H* *4.358* *.* *1* old residue 35 adding: *291* *35* *Ile* *HB* *H* *1.873* *.* *1* old residue 35 adding: *292* *35* *Ile* *HG12* *H* *1.142* *.* *2* old residue 35 adding: *293* *35* *Ile* *HG13* *H* *1.229* *.* *2* old residue 35 adding: *294* *35* *Ile* *HG2* *H* *0.823* *.* *1* old residue 35 adding: *295* *35* *Ile* *HD1* *H* *0.651* *.* *1* old residue 35 adding: *296* *35* *Ile* *CA* *C* *60.307* *.* *1* old residue 35 adding: *297* *35* *Ile* *CB* *C* *37.614* *.* *1* old residue 35 adding: *298* *35* *Ile* *CG1* *C* *26.818* *.* *1* old residue 35 adding: *299* *35* *Ile* *CG2* *C* *17.071* *.* *1* old residue 35 adding: *300* *35* *Ile* *CD1* *C* *10.733* *.* *1* old residue 35 adding: *301* *35* *Ile* *N* *N* *126.944* *.* *1* new residue 36 adding: *302* *36* *Ser* *H* *H* *7.562* *.* *1* old residue 36 adding: *303* *36* *Ser* *HA* *H* *4.560* *.* *1* old residue 36 adding: *304* *36* *Ser* *HB2* *H* *3.753* *.* *2* old residue 36 adding: *305* *36* *Ser* *HB3* *H* *3.571* *.* *2* old residue 36 adding: *306* *36* *Ser* *CA* *C* *57.608* *.* *1* old residue 36 adding: *307* *36* *Ser* *CB* *C* *64.536* *.* *1* old residue 36 adding: *308* *36* *Ser* *N* *N* *112.175* *.* *1* new residue 37 adding: *309* *37* *Glu* *H* *H* *8.317* *.* *1* old residue 37 adding: *310* *37* *Glu* *HA* *H* *4.815* *.* *1* old residue 37 adding: *311* *37* *Glu* *HB2* *H* *1.815* *.* *2* old residue 37 adding: *312* *37* *Glu* *HB3* *H* *1.861* *.* *2* old residue 37 adding: *313* *37* *Glu* *HG2* *H* *1.502* *.* *2* old residue 37 adding: *314* *37* *Glu* *HG3* *H* *1.787* *.* *2* old residue 37 adding: *315* *37* *Glu* *CA* *C* *54.867* *.* *1* old residue 37 adding: *316* *37* *Glu* *CB* *C* *31.820* *.* *1* old residue 37 adding: *317* *37* *Glu* *CG* *C* *35.453* *.* *1* old residue 37 adding: *318* *37* *Glu* *N* *N* *125.042* *.* *1* new residue 38 adding: *319* *38* *Thr* *H* *H* *8.480* *.* *1* old residue 38 adding: *320* *38* *Thr* *HA* *H* *4.614* *.* *1* old residue 38 adding: *321* *38* *Thr* *HB* *H* *4.188* *.* *1* old residue 38 adding: *322* *38* *Thr* *HG2* *H* *1.079* *.* *1* old residue 38 adding: *323* *38* *Thr* *CA* *C* *59.865* *.* *1* old residue 38 adding: *324* *38* *Thr* *CB* *C* *71.532* *.* *1* old residue 38 adding: *325* *38* *Thr* *CG2* *C* *21.237* *.* *1* old residue 38 adding: *326* *38* *Thr* *N* *N* *116.676* *.* *1* new residue 39 adding: *327* *39* *Gly* *H* *H* *8.375* *.* *1* old residue 39 adding: *328* *39* *Gly* *HA2* *H* *3.718* *.* *2* old residue 39 adding: *329* *39* *Gly* *HA3* *H* *4.271* *.* *2* old residue 39 adding: *330* *39* *Gly* *CA* *C* *44.133* *.* *1* old residue 39 adding: *331* *39* *Gly* *N* *N* *107.816* *.* *1* new residue 40 adding: *332* *40* *Gly* *H* *H* *8.375* *.* *1* old residue 40 adding: *333* *40* *Gly* *HA2* *H* *3.766* *.* *2* old residue 40 adding: *334* *40* *Gly* *HA3* *H* *4.207* *.* *2* old residue 40 adding: *335* *40* *Gly* *CA* *C* *44.350* *.* *1* old residue 40 adding: *336* *40* *Gly* *N* *N* *108.249* *.* *1* new residue 42 adding: *337* *42* *His* *HA* *H* *4.634* *.* *1* old residue 42 adding: *338* *42* *His* *HB2* *H* *3.107* *.* *2* old residue 42 adding: *339* *42* *His* *HB3* *H* *3.202* *.* *2* old residue 42 adding: *340* *42* *His* *HD2* *H* *7.093* *.* *1* old residue 42 adding: *341* *42* *His* *CA* *C* *56.519* *.* *1* old residue 42 adding: *342* *42* *His* *CB* *C* *29.883* *.* *1* old residue 42 adding: *343* *42* *His* *CD2* *C* *119.565* *.* *1* new residue 43 adding: *344* *43* *Asp* *H* *H* *7.986* *.* *1* old residue 43 adding: *345* *43* *Asp* *HA* *H* *4.607* *.* *1* old residue 43 adding: *346* *43* *Asp* *HB2* *H* *2.579* *.* *2* old residue 43 adding: *347* *43* *Asp* *HB3* *H* *2.437* *.* *2* old residue 43 adding: *348* *43* *Asp* *CA* *C* *53.075* *.* *1* old residue 43 adding: *349* *43* *Asp* *CB* *C* *39.918* *.* *1* old residue 43 adding: *350* *43* *Asp* *N* *N* *120.127* *.* *1* new residue 44 adding: *351* *44* *Lys* *H* *H* *7.572* *.* *1* old residue 44 adding: *352* *44* *Lys* *HA* *H* *4.337* *.* *1* old residue 44 adding: *353* *44* *Lys* *HB2* *H* *1.814* *.* *2* old residue 44 adding: *354* *44* *Lys* *HB3* *H* *1.541* *.* *2* old residue 44 adding: *355* *44* *Lys* *HG2* *H* *1.369* *.* *2* old residue 44 adding: *356* *44* *Lys* *HG3* *H* *1.177* *.* *2* old residue 44 adding: *357* *44* *Lys* *HD2* *H* *1.420* *.* *2* old residue 44 adding: *358* *44* *Lys* *HD3* *H* *1.290* *.* *2* old residue 44 adding: *359* *44* *Lys* *HE2* *H* *2.644* *.* *2* old residue 44 adding: *360* *44* *Lys* *HE3* *H* *2.712* *.* *2* old residue 44 adding: *361* *44* *Lys* *CA* *C* *55.119* *.* *1* old residue 44 adding: *362* *44* *Lys* *CB* *C* *32.298* *.* *1* old residue 44 adding: *363* *44* *Lys* *CG* *C* *23.897* *.* *1* old residue 44 adding: *364* *44* *Lys* *CD* *C* *27.576* *.* *1* old residue 44 adding: *365* *44* *Lys* *CE* *C* *41.780* *.* *1* old residue 44 adding: *366* *44* *Lys* *N* *N* *121.439* *.* *1* new residue 45 adding: *367* *45* *Arg* *HA* *H* *4.354* *.* *1* old residue 45 adding: *368* *45* *Arg* *HB2* *H* *1.509* *.* *2* old residue 45 adding: *369* *45* *Arg* *HB3* *H* *1.453* *.* *2* old residue 45 adding: *370* *45* *Arg* *HG2* *H* *1.172* *.* *2* old residue 45 adding: *371* *45* *Arg* *HG3* *H* *1.317* *.* *2* old residue 45 adding: *372* *45* *Arg* *HD2* *H* *2.954* *.* *2* old residue 45 adding: *373* *45* *Arg* *HD3* *H* *2.954* *.* *2* old residue 45 adding: *374* *45* *Arg* *HE* *H* *7.050* *.* *1* old residue 45 adding: *375* *45* *Arg* *CB* *C* *32.593* *.* *1* old residue 45 adding: *376* *45* *Arg* *CG* *C* *27.310* *.* *1* old residue 45 adding: *377* *45* *Arg* *CD* *C* *43.100* *.* *1* old residue 45 adding: *378* *45* *Arg* *NE* *N* *84.677* *.* *1* new residue 46 adding: *379* *46* *Phe* *HA* *H* *5.158* *.* *1* old residue 46 adding: *380* *46* *Phe* *HB2* *H* *2.587* *.* *2* old residue 46 adding: *381* *46* *Phe* *HB3* *H* *2.550* *.* *2* old residue 46 adding: *382* *46* *Phe* *HD1* *H* *7.016* *.* *1* old residue 46 adding: *383* *46* *Phe* *HD2* *H* *7.016* *.* *1* old residue 46 adding: *384* *46* *Phe* *HE1* *H* *7.342* *.* *1* old residue 46 adding: *385* *46* *Phe* *HE2* *H* *7.342* *.* *1* old residue 46 adding: *386* *46* *Phe* *HZ* *H* *7.319* *.* *1* old residue 46 adding: *387* *46* *Phe* *CA* *C* *56.571* *.* *1* old residue 46 adding: *388* *46* *Phe* *CB* *C* *41.460* *.* *1* old residue 46 adding: *389* *46* *Phe* *CD1* *C* *131.214* *.* *1* old residue 46 adding: *390* *46* *Phe* *CD2* *C* *131.231* *.* *1* old residue 46 adding: *391* *46* *Phe* *CE1* *C* *131.199* *.* *1* old residue 46 adding: *392* *46* *Phe* *CE2* *C* *131.076* *.* *1* old residue 46 adding: *393* *46* *Phe* *CZ* *C* *129.898* *.* *1* new residue 47 adding: *394* *47* *Val* *H* *H* *8.625* *.* *1* old residue 47 adding: *395* *47* *Val* *HA* *H* *5.045* *.* *1* old residue 47 adding: *396* *47* *Val* *HB* *H* *1.931* *.* *1* old residue 47 adding: *397* *47* *Val* *HG1* *H* *0.821* *.* *2* old residue 47 adding: *398* *47* *Val* *HG2* *H* *0.840* *.* *2* old residue 47 adding: *399* *47* *Val* *CA* *C* *61.279* *.* *1* old residue 47 adding: *400* *47* *Val* *CB* *C* *33.479* *.* *1* old residue 47 adding: *401* *47* *Val* *CG1* *C* *20.927* *.* *1* old residue 47 adding: *402* *47* *Val* *CG2* *C* *20.610* *.* *1* old residue 47 adding: *403* *47* *Val* *N* *N* *119.944* *.* *1* new residue 48 adding: *404* *48* *Met* *H* *H* *9.230* *.* *1* old residue 48 adding: *405* *48* *Met* *HA* *H* *5.610* *.* *1* old residue 48 adding: *406* *48* *Met* *HB2* *H* *1.793* *.* *2* old residue 48 adding: *407* *48* *Met* *HB3* *H* *1.751* *.* *2* old residue 48 adding: *408* *48* *Met* *HG2* *H* *2.529* *.* *2* old residue 48 adding: *409* *48* *Met* *HG3* *H* *2.345* *.* *2* old residue 48 adding: *410* *48* *Met* *HE* *H* *1.931* *.* *1* old residue 48 adding: *411* *48* *Met* *CA* *C* *52.170* *.* *1* old residue 48 adding: *412* *48* *Met* *CB* *C* *35.417* *.* *1* old residue 48 adding: *413* *48* *Met* *CG* *C* *33.062* *.* *1* old residue 48 adding: *414* *48* *Met* *CE* *C* *17.038* *.* *1* old residue 48 adding: *415* *48* *Met* *N* *N* *125.432* *.* *1* new residue 49 adding: *416* *49* *Glu* *H* *H* *9.430* *.* *1* old residue 49 adding: *417* *49* *Glu* *HA* *H* *5.671* *.* *1* old residue 49 adding: *418* *49* *Glu* *HB2* *H* *1.845* *.* *2* old residue 49 adding: *419* *49* *Glu* *HB3* *H* *2.018* *.* *2* old residue 49 adding: *420* *49* *Glu* *HG2* *H* *2.016* *.* *2* old residue 49 adding: *421* *49* *Glu* *HG3* *H* *1.927* *.* *2* old residue 49 adding: *422* *49* *Glu* *CA* *C* *54.091* *.* *1* old residue 49 adding: *423* *49* *Glu* *CB* *C* *35.842* *.* *1* old residue 49 adding: *424* *49* *Glu* *CG* *C* *38.624* *.* *1* old residue 49 adding: *425* *49* *Glu* *N* *N* *121.511* *.* *1* new residue 50 adding: *426* *50* *Val* *H* *H* *9.162* *.* *1* old residue 50 adding: *427* *50* *Val* *HA* *H* *4.754* *.* *1* old residue 50 adding: *428* *50* *Val* *HB* *H* *1.324* *.* *1* old residue 50 adding: *429* *50* *Val* *HG1* *H* *0.696* *.* *2* old residue 50 adding: *430* *50* *Val* *HG2* *H* *0.262* *.* *2* old residue 50 adding: *431* *50* *Val* *CA* *C* *58.548* *.* *1* old residue 50 adding: *432* *50* *Val* *CB* *C* *35.927* *.* *1* old residue 50 adding: *433* *50* *Val* *CG1* *C* *18.309* *.* *1* old residue 50 adding: *434* *50* *Val* *CG2* *C* *21.310* *.* *1* old residue 50 adding: *435* *50* *Val* *N* *N* *125.164* *.* *1* new residue 51 adding: *436* *51* *Glu* *H* *H* *8.063* *.* *1* old residue 51 adding: *437* *51* *Glu* *HA* *H* *5.288* *.* *1* old residue 51 adding: *438* *51* *Glu* *HB2* *H* *1.968* *.* *2* old residue 51 adding: *439* *51* *Glu* *HB3* *H* *1.683* *.* *2* old residue 51 adding: *440* *51* *Glu* *HG2* *H* *1.807* *.* *2* old residue 51 adding: *441* *51* *Glu* *HG3* *H* *1.808* *.* *2* old residue 51 adding: *442* *51* *Glu* *CA* *C* *53.988* *.* *1* old residue 51 adding: *443* *51* *Glu* *CB* *C* *31.035* *.* *1* old residue 51 adding: *444* *51* *Glu* *CG* *C* *36.411* *.* *1* old residue 51 adding: *445* *51* *Glu* *N* *N* *129.133* *.* *1* new residue 52 adding: *446* *52* *Val* *H* *H* *9.375* *.* *1* old residue 52 adding: *447* *52* *Val* *HA* *H* *4.271* *.* *1* old residue 52 adding: *448* *52* *Val* *HB* *H* *2.161* *.* *1* old residue 52 adding: *449* *52* *Val* *HG1* *H* *0.943* *.* *2* old residue 52 adding: *450* *52* *Val* *HG2* *H* *0.938* *.* *2* old residue 52 adding: *451* *52* *Val* *CA* *C* *60.843* *.* *1* old residue 52 adding: *452* *52* *Val* *CB* *C* *33.843* *.* *1* old residue 52 adding: *453* *52* *Val* *CG1* *C* *22.154* *.* *1* old residue 52 adding: *454* *52* *Val* *CG2* *C* *22.041* *.* *1* old residue 52 adding: *455* *52* *Val* *N* *N* *126.813* *.* *1* new residue 53 adding: *456* *53* *Asp* *H* *H* *9.154* *.* *1* old residue 53 adding: *457* *53* *Asp* *HA* *H* *4.237* *.* *1* old residue 53 adding: *458* *53* *Asp* *HB2* *H* *2.897* *.* *2* old residue 53 adding: *459* *53* *Asp* *HB3* *H* *2.783* *.* *2* old residue 53 adding: *460* *53* *Asp* *CA* *C* *54.764* *.* *1* old residue 53 adding: *461* *53* *Asp* *CB* *C* *38.138* *.* *1* old residue 53 adding: *462* *53* *Asp* *N* *N* *127.118* *.* *1* new residue 54 adding: *463* *54* *Gly* *H* *H* *8.781* *.* *1* old residue 54 adding: *464* *54* *Gly* *HA2* *H* *3.638* *.* *2* old residue 54 adding: *465* *54* *Gly* *HA3* *H* *4.065* *.* *2* old residue 54 adding: *466* *54* *Gly* *CA* *C* *45.165* *.* *1* old residue 54 adding: *467* *54* *Gly* *N* *N* *103.187* *.* *1* new residue 55 adding: *468* *55* *Gln* *H* *H* *8.023* *.* *1* old residue 55 adding: *469* *55* *Gln* *HA* *H* *4.418* *.* *1* old residue 55 adding: *470* *55* *Gln* *HB2* *H* *2.037* *.* *2* old residue 55 adding: *471* *55* *Gln* *HB3* *H* *1.749* *.* *2* old residue 55 adding: *472* *55* *Gln* *HG2* *H* *2.165* *.* *2* old residue 55 adding: *473* *55* *Gln* *HG3* *H* *2.038* *.* *2* old residue 55 adding: *474* *55* *Gln* *HE21* *H* *6.797* *.* *2* old residue 55 adding: *475* *55* *Gln* *HE22* *H* *7.537* *.* *2* old residue 55 adding: *476* *55* *Gln* *CA* *C* *54.022* *.* *1* old residue 55 adding: *477* *55* *Gln* *CB* *C* *31.625* *.* *1* old residue 55 adding: *478* *55* *Gln* *CG* *C* *33.960* *.* *1* old residue 55 adding: *479* *55* *Gln* *N* *N* *121.223* *.* *1* old residue 55 adding: *480* *55* *Gln* *NE2* *N* *111.810* *.* *1* new residue 56 adding: *481* *56* *Lys* *H* *H* *8.203* *.* *1* old residue 56 adding: *482* *56* *Lys* *HA* *H* *4.663* *.* *1* old residue 56 adding: *483* *56* *Lys* *HB2* *H* *1.501* *.* *2* old residue 56 adding: *484* *56* *Lys* *HB3* *H* *1.377* *.* *2* old residue 56 adding: *485* *56* *Lys* *HG2* *H* *1.067* *.* *2* old residue 56 adding: *486* *56* *Lys* *HG3* *H* *1.279* *.* *2* old residue 56 adding: *487* *56* *Lys* *HD2* *H* *1.532* *.* *2* old residue 56 adding: *488* *56* *Lys* *HD3* *H* *1.392* *.* *2* old residue 56 adding: *489* *56* *Lys* *HE2* *H* *2.816* *.* *2* old residue 56 adding: *490* *56* *Lys* *HE3* *H* *2.812* *.* *2* old residue 56 adding: *491* *56* *Lys* *CA* *C* *55.288* *.* *1* old residue 56 adding: *492* *56* *Lys* *CB* *C* *34.153* *.* *1* old residue 56 adding: *493* *56* *Lys* *CG* *C* *25.282* *.* *1* old residue 56 adding: *494* *56* *Lys* *CD* *C* *28.780* *.* *1* old residue 56 adding: *495* *56* *Lys* *CE* *C* *41.780* *.* *1* old residue 56 adding: *496* *56* *Lys* *N* *N* *120.645* *.* *1* new residue 57 adding: *497* *57* *Phe* *H* *H* *8.797* *.* *1* old residue 57 adding: *498* *57* *Phe* *HA* *H* *4.654* *.* *1* old residue 57 adding: *499* *57* *Phe* *HB2* *H* *3.165* *.* *2* old residue 57 adding: *500* *57* *Phe* *HB3* *H* *2.804* *.* *2* old residue 57 adding: *501* *57* *Phe* *HD1* *H* *7.155* *.* *1* old residue 57 adding: *502* *57* *Phe* *HD2* *H* *7.155* *.* *1* old residue 57 adding: *503* *57* *Phe* *HE1* *H* *7.210* *.* *1* old residue 57 adding: *504* *57* *Phe* *HE2* *H* *7.210* *.* *1* old residue 57 adding: *505* *57* *Phe* *HZ* *H* *6.933* *.* *1* old residue 57 adding: *506* *57* *Phe* *CA* *C* *57.356* *.* *1* old residue 57 adding: *507* *57* *Phe* *CB* *C* *41.580* *.* *1* old residue 57 adding: *508* *57* *Phe* *CD1* *C* *132.473* *.* *1* old residue 57 adding: *509* *57* *Phe* *CD2* *C* *132.689* *.* *1* old residue 57 adding: *510* *57* *Phe* *CE1* *C* *131.275* *.* *1* old residue 57 adding: *511* *57* *Phe* *CE2* *C* *131.314* *.* *1* old residue 57 adding: *512* *57* *Phe* *CZ* *C* *127.989* *.* *1* old residue 57 adding: *513* *57* *Phe* *N* *N* *121.500* *.* *1* new residue 58 adding: *514* *58* *Gln* *H* *H* *8.642* *.* *1* old residue 58 adding: *515* *58* *Gln* *HA* *H* *5.808* *.* *1* old residue 58 adding: *516* *58* *Gln* *HB2* *H* *1.961* *.* *2* old residue 58 adding: *517* *58* *Gln* *HB3* *H* *1.891* *.* *2* old residue 58 adding: *518* *58* *Gln* *HG2* *H* *2.387* *.* *2* old residue 58 adding: *519* *58* *Gln* *HG3* *H* *2.274* *.* *2* old residue 58 adding: *520* *58* *Gln* *HE21* *H* *8.214* *.* *2* old residue 58 adding: *521* *58* *Gln* *HE22* *H* *6.558* *.* *2* old residue 58 adding: *522* *58* *Gln* *CA* *C* *53.896* *.* *1* old residue 58 adding: *523* *58* *Gln* *CB* *C* *31.624* *.* *1* old residue 58 adding: *524* *58* *Gln* *CG* *C* *33.720* *.* *1* old residue 58 adding: *525* *58* *Gln* *N* *N* *119.546* *.* *1* old residue 58 adding: *526* *58* *Gln* *NE2* *N* *111.234* *.* *1* new residue 59 adding: *527* *59* *Gly* *H* *H* *8.835* *.* *1* old residue 59 adding: *528* *59* *Gly* *HA2* *H* *4.059* *.* *2* old residue 59 adding: *529* *59* *Gly* *HA3* *H* *4.447* *.* *2* old residue 59 adding: *530* *59* *Gly* *CA* *C* *44.691* *.* *1* old residue 59 adding: *531* *59* *Gly* *N* *N* *107.365* *.* *1* new residue 60 adding: *532* *60* *Ala* *H* *H* *8.309* *.* *1* old residue 60 adding: *533* *60* *Ala* *HA* *H* *6.084* *.* *1* old residue 60 adding: *534* *60* *Ala* *HB* *H* *1.309* *.* *1* old residue 60 adding: *535* *60* *Ala* *CA* *C* *49.561* *.* *1* old residue 60 adding: *536* *60* *Ala* *CB* *C* *23.272* *.* *1* old residue 60 adding: *537* *60* *Ala* *N* *N* *123.517* *.* *1* new residue 61 adding: *538* *61* *Gly* *H* *H* *8.533* *.* *1* old residue 61 adding: *539* *61* *Gly* *HA2* *H* *4.487* *.* *2* old residue 61 adding: *540* *61* *Gly* *HA3* *H* *4.075* *.* *2* old residue 61 adding: *541* *61* *Gly* *CA* *C* *45.163* *.* *1* old residue 61 adding: *542* *61* *Gly* *N* *N* *103.241* *.* *1* new residue 62 adding: *543* *62* *Ser* *H* *H* *8.894* *.* *1* old residue 62 adding: *544* *62* *Ser* *HA* *H* *4.712* *.* *1* old residue 62 adding: *545* *62* *Ser* *HB2* *H* *4.118* *.* *2* old residue 62 adding: *546* *62* *Ser* *HB3* *H* *3.989* *.* *2* old residue 62 adding: *547* *62* *Ser* *CA* *C* *59.423* *.* *1* old residue 62 adding: *548* *62* *Ser* *CB* *C* *63.260* *.* *1* old residue 62 adding: *549* *62* *Ser* *N* *N* *114.556* *.* *1* new residue 63 adding: *550* *63* *Asn* *H* *H* *7.522* *.* *1* old residue 63 adding: *551* *63* *Asn* *HA* *H* *4.624* *.* *1* old residue 63 adding: *552* *63* *Asn* *HB2* *H* *2.914* *.* *2* old residue 63 adding: *553* *63* *Asn* *HB3* *H* *2.862* *.* *2* old residue 63 adding: *554* *63* *Asn* *HD21* *H* *7.584* *.* *2* old residue 63 adding: *555* *63* *Asn* *HD22* *H* *6.765* *.* *2* old residue 63 adding: *556* *63* *Asn* *CA* *C* *51.744* *.* *1* old residue 63 adding: *557* *63* *Asn* *CB* *C* *40.651* *.* *1* old residue 63 adding: *558* *63* *Asn* *N* *N* *112.606* *.* *1* old residue 63 adding: *559* *63* *Asn* *ND2* *N* *115.048* *.* *1* new residue 64 adding: *560* *64* *Lys* *H* *H* *8.290* *.* *1* old residue 64 adding: *561* *64* *Lys* *HA* *H* *3.279* *.* *1* old residue 64 adding: *562* *64* *Lys* *HB2* *H* *1.361* *.* *2* old residue 64 adding: *563* *64* *Lys* *HB3* *H* *1.440* *.* *2* old residue 64 adding: *564* *64* *Lys* *HG2* *H* *0.581* *.* *2* old residue 64 adding: *565* *64* *Lys* *HG3* *H* *0.705* *.* *2* old residue 64 adding: *566* *64* *Lys* *HD2* *H* *1.455* *.* *2* old residue 64 adding: *567* *64* *Lys* *HD3* *H* *1.524* *.* *2* old residue 64 adding: *568* *64* *Lys* *HE2* *H* *2.743* *.* *2* old residue 64 adding: *569* *64* *Lys* *HE3* *H* *2.741* *.* *2* old residue 64 adding: *570* *64* *Lys* *CA* *C* *60.434* *.* *1* old residue 64 adding: *571* *64* *Lys* *CB* *C* *32.256* *.* *1* old residue 64 adding: *572* *64* *Lys* *CG* *C* *26.138* *.* *1* old residue 64 adding: *573* *64* *Lys* *CD* *C* *29.202* *.* *1* old residue 64 adding: *574* *64* *Lys* *CE* *C* *41.780* *.* *1* old residue 64 adding: *575* *64* *Lys* *N* *N* *119.851* *.* *1* new residue 65 adding: *576* *65* *Lys* *H* *H* *7.846* *.* *1* old residue 65 adding: *577* *65* *Lys* *HA* *H* *3.736* *.* *1* old residue 65 adding: *578* *65* *Lys* *HB2* *H* *1.787* *.* *2* old residue 65 adding: *579* *65* *Lys* *HB3* *H* *1.735* *.* *2* old residue 65 adding: *580* *65* *Lys* *HG2* *H* *1.445* *.* *2* old residue 65 adding: *581* *65* *Lys* *HG3* *H* *1.263* *.* *2* old residue 65 adding: *582* *65* *Lys* *HD2* *H* *1.577* *.* *2* old residue 65 adding: *583* *65* *Lys* *HD3* *H* *1.580* *.* *2* old residue 65 adding: *584* *65* *Lys* *HE2* *H* *2.881* *.* *2* old residue 65 adding: *585* *65* *Lys* *HE3* *H* *2.885* *.* *2* old residue 65 adding: *586* *65* *Lys* *CA* *C* *59.936* *.* *1* old residue 65 adding: *587* *65* *Lys* *CB* *C* *31.715* *.* *1* old residue 65 adding: *588* *65* *Lys* *CG* *C* *25.330* *.* *1* old residue 65 adding: *589* *65* *Lys* *CD* *C* *28.780* *.* *1* old residue 65 adding: *590* *65* *Lys* *CE* *C* *41.780* *.* *1* old residue 65 adding: *591* *65* *Lys* *N* *N* *119.363* *.* *1* new residue 66 adding: *592* *66* *Val* *H* *H* *8.261* *.* *1* old residue 66 adding: *593* *66* *Val* *HA* *H* *3.610* *.* *1* old residue 66 adding: *594* *66* *Val* *HB* *H* *1.842* *.* *1* old residue 66 adding: *595* *66* *Val* *HG1* *H* *1.116* *.* *2* old residue 66 adding: *596* *66* *Val* *HG2* *H* *1.041* *.* *2* old residue 66 adding: *597* *66* *Val* *CA* *C* *65.201* *.* *1* old residue 66 adding: *598* *66* *Val* *CB* *C* *31.971* *.* *1* old residue 66 adding: *599* *66* *Val* *CG1* *C* *21.650* *.* *1* old residue 66 adding: *600* *66* *Val* *CG2* *C* *22.540* *.* *1* old residue 66 adding: *601* *66* *Val* *N* *N* *120.889* *.* *1* new residue 67 adding: *602* *67* *Ala* *H* *H* *7.414* *.* *1* old residue 67 adding: *603* *67* *Ala* *HA* *H* *3.800* *.* *1* old residue 67 adding: *604* *67* *Ala* *HB* *H* *1.370* *.* *1* old residue 67 adding: *605* *67* *Ala* *CA* *C* *55.500* *.* *1* old residue 67 adding: *606* *67* *Ala* *CB* *C* *18.307* *.* *1* old residue 67 adding: *607* *67* *Ala* *N* *N* *121.317* *.* *1* new residue 68 adding: *608* *68* *Lys* *H* *H* *7.980* *.* *1* old residue 68 adding: *609* *68* *Lys* *HA* *H* *3.538* *.* *1* old residue 68 adding: *610* *68* *Lys* *HB2* *H* *1.602* *.* *2* old residue 68 adding: *611* *68* *Lys* *HB3* *H* *1.292* *.* *2* old residue 68 adding: *612* *68* *Lys* *HG2* *H* *1.367* *.* *2* old residue 68 adding: *613* *68* *Lys* *HG3* *H* *0.802* *.* *2* old residue 68 adding: *614* *68* *Lys* *HD2* *H* *1.225* *.* *2* old residue 68 adding: *615* *68* *Lys* *HD3* *H* *1.226* *.* *2* old residue 68 adding: *616* *68* *Lys* *HE2* *H* *2.225* *.* *2* old residue 68 adding: *617* *68* *Lys* *HE3* *H* *1.987* *.* *2* old residue 68 adding: *618* *68* *Lys* *CA* *C* *60.078* *.* *1* old residue 68 adding: *619* *68* *Lys* *CB* *C* *32.096* *.* *1* old residue 68 adding: *620* *68* *Lys* *CG* *C* *25.665* *.* *1* old residue 68 adding: *621* *68* *Lys* *CD* *C* *28.780* *.* *1* old residue 68 adding: *622* *68* *Lys* *CE* *C* *40.796* *.* *1* old residue 68 adding: *623* *68* *Lys* *N* *N* *115.457* *.* *1* new residue 69 adding: *624* *69* *Ala* *H* *H* *7.521* *.* *1* old residue 69 adding: *625* *69* *Ala* *HA* *H* *3.868* *.* *1* old residue 69 adding: *626* *69* *Ala* *HB* *H* *1.384* *.* *1* old residue 69 adding: *627* *69* *Ala* *CA* *C* *55.246* *.* *1* old residue 69 adding: *628* *69* *Ala* *CB* *C* *17.663* *.* *1* old residue 69 adding: *629* *69* *Ala* *N* *N* *119.816* *.* *1* new residue 70 adding: *630* *70* *Tyr* *H* *H* *8.334* *.* *1* old residue 70 adding: *631* *70* *Tyr* *HA* *H* *4.398* *.* *1* old residue 70 adding: *632* *70* *Tyr* *HB2* *H* *2.984* *.* *2* old residue 70 adding: *633* *70* *Tyr* *HB3* *H* *3.319* *.* *2* old residue 70 adding: *634* *70* *Tyr* *HD1* *H* *7.329* *.* *1* old residue 70 adding: *635* *70* *Tyr* *HD2* *H* *7.329* *.* *1* old residue 70 adding: *636* *70* *Tyr* *HE1* *H* *6.802* *.* *1* old residue 70 adding: *637* *70* *Tyr* *HE2* *H* *6.802* *.* *1* old residue 70 adding: *638* *70* *Tyr* *CA* *C* *61.488* *.* *1* old residue 70 adding: *639* *70* *Tyr* *CB* *C* *37.489* *.* *1* old residue 70 adding: *640* *70* *Tyr* *CD1* *C* *132.797* *.* *1* old residue 70 adding: *641* *70* *Tyr* *CD2* *C* *132.996* *.* *1* old residue 70 adding: *642* *70* *Tyr* *CE1* *C* *117.885* *.* *1* old residue 70 adding: *643* *70* *Tyr* *CE2* *C* *117.910* *.* *1* old residue 70 adding: *644* *70* *Tyr* *N* *N* *115.273* *.* *1* new residue 71 adding: *645* *71* *Ala* *H* *H* *8.128* *.* *1* old residue 71 adding: *646* *71* *Ala* *HA* *H* *3.966* *.* *1* old residue 71 adding: *647* *71* *Ala* *HB* *H* *1.520* *.* *1* old residue 71 adding: *648* *71* *Ala* *CA* *C* *55.371* *.* *1* old residue 71 adding: *649* *71* *Ala* *CB* *C* *16.945* *.* *1* old residue 71 adding: *650* *71* *Ala* *N* *N* *126.458* *.* *1* new residue 72 adding: *651* *72* *Ala* *H* *H* *8.347* *.* *1* old residue 72 adding: *652* *72* *Ala* *HA* *H* *3.961* *.* *1* old residue 72 adding: *653* *72* *Ala* *HB* *H* *1.493* *.* *1* old residue 72 adding: *654* *72* *Ala* *CA* *C* *54.316* *.* *1* old residue 72 adding: *655* *72* *Ala* *CB* *C* *17.662* *.* *1* old residue 72 adding: *656* *72* *Ala* *N* *N* *118.235* *.* *1* new residue 73 adding: *657* *73* *Leu* *H* *H* *8.575* *.* *1* old residue 73 adding: *658* *73* *Leu* *HA* *H* *3.912* *.* *1* old residue 73 adding: *659* *73* *Leu* *HB2* *H* *1.753* *.* *2* old residue 73 adding: *660* *73* *Leu* *HB3* *H* *1.671* *.* *2* old residue 73 adding: *661* *73* *Leu* *HG* *H* *1.618* *.* *1* old residue 73 adding: *662* *73* *Leu* *HD1* *H* *0.775* *.* *2* old residue 73 adding: *663* *73* *Leu* *HD2* *H* *0.839* *.* *2* old residue 73 adding: *664* *73* *Leu* *CA* *C* *57.607* *.* *1* old residue 73 adding: *665* *73* *Leu* *CB* *C* *42.296* *.* *1* old residue 73 adding: *666* *73* *Leu* *CG* *C* *26.718* *.* *1* old residue 73 adding: *667* *73* *Leu* *CD1* *C* *24.276* *.* *1* old residue 73 adding: *668* *73* *Leu* *CD2* *C* *24.715* *.* *1* old residue 73 adding: *669* *73* *Leu* *N* *N* *117.616* *.* *1* new residue 74 adding: *670* *74* *Ala* *H* *H* *7.800* *.* *1* old residue 74 adding: *671* *74* *Ala* *HA* *H* *4.149* *.* *1* old residue 74 adding: *672* *74* *Ala* *HB* *H* *1.775* *.* *1* old residue 74 adding: *673* *74* *Ala* *CA* *C* *54.741* *.* *1* old residue 74 adding: *674* *74* *Ala* *CB* *C* *17.662* *.* *1* old residue 74 adding: *675* *74* *Ala* *N* *N* *121.011* *.* *1* new residue 75 adding: *676* *75* *Ala* *H* *H* *7.359* *.* *1* old residue 75 adding: *677* *75* *Ala* *HA* *H* *2.052* *.* *1* old residue 75 adding: *678* *75* *Ala* *HB* *H* *0.868* *.* *1* old residue 75 adding: *679* *75* *Ala* *CA* *C* *53.885* *.* *1* old residue 75 adding: *680* *75* *Ala* *CB* *C* *19.181* *.* *1* old residue 75 adding: *681* *75* *Ala* *N* *N* *121.317* *.* *1* new residue 76 adding: *682* *76* *Leu* *H* *H* *8.543* *.* *1* old residue 76 adding: *683* *76* *Leu* *HA* *H* *3.940* *.* *1* old residue 76 adding: *684* *76* *Leu* *HB2* *H* *1.946* *.* *2* old residue 76 adding: *685* *76* *Leu* *HB3* *H* *1.462* *.* *2* old residue 76 adding: *686* *76* *Leu* *HG* *H* *1.807* *.* *1* old residue 76 adding: *687* *76* *Leu* *HD1* *H* *0.880* *.* *2* old residue 76 adding: *688* *76* *Leu* *HD2* *H* *0.715* *.* *2* old residue 76 adding: *689* *76* *Leu* *CA* *C* *58.157* *.* *1* old residue 76 adding: *690* *76* *Leu* *CB* *C* *41.917* *.* *1* old residue 76 adding: *691* *76* *Leu* *CG* *C* *26.770* *.* *1* old residue 76 adding: *692* *76* *Leu* *CD1* *C* *26.000* *.* *1* old residue 76 adding: *693* *76* *Leu* *CD2* *C* *23.374* *.* *1* old residue 76 adding: *694* *76* *Leu* *N* *N* *118.141* *.* *1* new residue 77 adding: *695* *77* *Glu* *H* *H* *8.262* *.* *1* old residue 77 adding: *696* *77* *Glu* *HA* *H* *3.870* *.* *1* old residue 77 adding: *697* *77* *Glu* *HB2* *H* *1.959* *.* *2* old residue 77 adding: *698* *77* *Glu* *HB3* *H* *2.067* *.* *2* old residue 77 adding: *699* *77* *Glu* *HG2* *H* *2.218* *.* *2* old residue 77 adding: *700* *77* *Glu* *HG3* *H* *2.458* *.* *2* old residue 77 adding: *701* *77* *Glu* *CA* *C* *58.493* *.* *1* old residue 77 adding: *702* *77* *Glu* *CB* *C* *29.431* *.* *1* old residue 77 adding: *703* *77* *Glu* *CG* *C* *36.554* *.* *1* old residue 77 adding: *704* *77* *Glu* *N* *N* *115.676* *.* *1* new residue 78 adding: *705* *78* *Lys* *H* *H* *7.197* *.* *1* old residue 78 adding: *706* *78* *Lys* *HA* *H* *4.256* *.* *1* old residue 78 adding: *707* *78* *Lys* *HB2* *H* *1.994* *.* *2* old residue 78 adding: *708* *78* *Lys* *HB3* *H* *1.870* *.* *2* old residue 78 adding: *709* *78* *Lys* *HG2* *H* *1.701* *.* *2* old residue 78 adding: *710* *78* *Lys* *HG3* *H* *1.456* *.* *2* old residue 78 adding: *711* *78* *Lys* *HD2* *H* *1.921* *.* *2* old residue 78 adding: *712* *78* *Lys* *HD3* *H* *1.783* *.* *2* old residue 78 adding: *713* *78* *Lys* *HE2* *H* *3.090* *.* *2* old residue 78 adding: *714* *78* *Lys* *HE3* *H* *3.089* *.* *2* old residue 78 adding: *715* *78* *Lys* *CA* *C* *56.847* *.* *1* old residue 78 adding: *716* *78* *Lys* *CB* *C* *33.269* *.* *1* old residue 78 adding: *717* *78* *Lys* *CG* *C* *24.653* *.* *1* old residue 78 adding: *718* *78* *Lys* *CD* *C* *28.247* *.* *1* old residue 78 adding: *719* *78* *Lys* *CE* *C* *42.211* *.* *1* old residue 78 adding: *720* *78* *Lys* *N* *N* *115.515* *.* *1* new residue 79 adding: *721* *79* *Leu* *H* *H* *8.194* *.* *1* old residue 79 adding: *722* *79* *Leu* *HA* *H* *4.006* *.* *1* old residue 79 adding: *723* *79* *Leu* *HB2* *H* *1.251* *.* *2* old residue 79 adding: *724* *79* *Leu* *HB3* *H* *0.375* *.* *2* old residue 79 adding: *725* *79* *Leu* *HG* *H* *1.475* *.* *1* old residue 79 adding: *726* *79* *Leu* *HD1* *H* *0.736* *.* *2* old residue 79 adding: *727* *79* *Leu* *HD2* *H* *0.784* *.* *2* old residue 79 adding: *728* *79* *Leu* *CA* *C* *55.458* *.* *1* old residue 79 adding: *729* *79* *Leu* *CB* *C* *42.761* *.* *1* old residue 79 adding: *730* *79* *Leu* *CG* *C* *26.770* *.* *1* old residue 79 adding: *731* *79* *Leu* *CD1* *C* *26.096* *.* *1* old residue 79 adding: *732* *79* *Leu* *CD2* *C* *21.774* *.* *1* old residue 79 adding: *733* *79* *Leu* *N* *N* *115.310* *.* *1* new residue 80 adding: *734* *80* *Phe* *H* *H* *7.864* *.* *1* old residue 80 adding: *735* *80* *Phe* *HA* *H* *5.049* *.* *1* old residue 80 adding: *736* *80* *Phe* *HB2* *H* *3.178* *.* *2* old residue 80 adding: *737* *80* *Phe* *HB3* *H* *2.910* *.* *2* old residue 80 adding: *738* *80* *Phe* *HD1* *H* *7.201* *.* *1* old residue 80 adding: *739* *80* *Phe* *HD2* *H* *7.201* *.* *1* old residue 80 adding: *740* *80* *Phe* *HE1* *H* *7.029* *.* *1* old residue 80 adding: *741* *80* *Phe* *HE2* *H* *7.029* *.* *1* old residue 80 adding: *742* *80* *Phe* *HZ* *H* *6.929* *.* *1* old residue 80 adding: *743* *80* *Phe* *CA* *C* *54.371* *.* *1* old residue 80 adding: *744* *80* *Phe* *CB* *C* *38.945* *.* *1* old residue 80 adding: *745* *80* *Phe* *CD1* *C* *132.978* *.* *1* old residue 80 adding: *746* *80* *Phe* *CD2* *C* *132.928* *.* *1* old residue 80 adding: *747* *80* *Phe* *CE1* *C* *130.379* *.* *1* old residue 80 adding: *748* *80* *Phe* *CE2* *C* *130.600* *.* *1* old residue 80 adding: *749* *80* *Phe* *CZ* *C* *128.254* *.* *1* old residue 80 adding: *750* *80* *Phe* *N* *N* *116.554* *.* *1* new residue 81 adding: *751* *81* *Pro* *HA* *H* *4.414* *.* *1* old residue 81 adding: *752* *81* *Pro* *HB2* *H* *2.293* *.* *2* old residue 81 adding: *753* *81* *Pro* *HB3* *H* *1.970* *.* *2* old residue 81 adding: *754* *81* *Pro* *HG2* *H* *1.860* *.* *2* old residue 81 adding: *755* *81* *Pro* *HG3* *H* *1.920* *.* *2* old residue 81 adding: *756* *81* *Pro* *HD2* *H* *3.383* *.* *2* old residue 81 adding: *757* *81* *Pro* *HD3* *H* *3.156* *.* *2* old residue 81 adding: *758* *81* *Pro* *CA* *C* *63.401* *.* *1* old residue 81 adding: *759* *81* *Pro* *CB* *C* *31.471* *.* *1* old residue 81 adding: *760* *81* *Pro* *CG* *C* *27.140* *.* *1* old residue 81 adding: *761* *81* *Pro* *CD* *C* *50.056* *.* *1* new residue 82 adding: *762* *82* *Asp* *H* *H* *8.541* *.* *1* old residue 82 adding: *763* *82* *Asp* *HA* *H* *4.619* *.* *1* old residue 82 adding: *764* *82* *Asp* *HB2* *H* *2.685* *.* *2* old residue 82 adding: *765* *82* *Asp* *HB3* *H* *2.594* *.* *2* old residue 82 adding: *766* *82* *Asp* *CA* *C* *54.191* *.* *1* old residue 82 adding: *767* *82* *Asp* *CB* *C* *40.819* *.* *1* old residue 82 adding: *768* *82* *Asp* *N* *N* *120.095* *.* *1* new residue 83 adding: *769* *83* *Thr* *H* *H* *8.074* *.* *1* old residue 83 adding: *770* *83* *Thr* *HA* *H* *4.567* *.* *1* old residue 83 adding: *771* *83* *Thr* *HB* *H* *4.124* *.* *1* old residue 83 adding: *772* *83* *Thr* *HG2* *H* *1.212* *.* *1* old residue 83 adding: *773* *83* *Thr* *CA* *C* *59.454* *.* *1* old residue 83 adding: *774* *83* *Thr* *CB* *C* *69.709* *.* *1* old residue 83 adding: *775* *83* *Thr* *CG2* *C* *21.060* *.* *1* old residue 83 adding: *776* *83* *Thr* *N* *N* *116.492* *.* *1* new residue 84 adding: *777* *84* *Pro* *HA* *H* *4.367* *.* *1* old residue 84 adding: *778* *84* *Pro* *HB2* *H* *2.254* *.* *2* old residue 84 adding: *779* *84* *Pro* *HB3* *H* *1.854* *.* *2* old residue 84 adding: *780* *84* *Pro* *HG2* *H* *1.996* *.* *2* old residue 84 adding: *781* *84* *Pro* *HG3* *H* *1.949* *.* *2* old residue 84 adding: *782* *84* *Pro* *HD2* *H* *3.815* *.* *2* old residue 84 adding: *783* *84* *Pro* *HD3* *H* *3.673* *.* *2* old residue 84 adding: *784* *84* *Pro* *CA* *C* *62.944* *.* *1* old residue 84 adding: *785* *84* *Pro* *CB* *C* *31.386* *.* *1* old residue 84 adding: *786* *84* *Pro* *CG* *C* *27.140* *.* *1* old residue 84 adding: *787* *84* *Pro* *CD* *C* *50.773* *.* *1* new residue 85 adding: *788* *85* *Leu* *H* *H* *8.307* *.* *1* old residue 85 adding: *789* *85* *Leu* *HA* *H* *4.259* *.* *1* old residue 85 adding: *790* *85* *Leu* *HB2* *H* *1.513* *.* *2* old residue 85 adding: *791* *85* *Leu* *HB3* *H* *1.590* *.* *2* old residue 85 adding: *792* *85* *Leu* *HG* *H* *1.604* *.* *1* old residue 85 adding: *793* *85* *Leu* *HD1* *H* *0.889* *.* *2* old residue 85 adding: *794* *85* *Leu* *HD2* *H* *0.836* *.* *2* old residue 85 adding: *795* *85* *Leu* *CA* *C* *54.823* *.* *1* old residue 85 adding: *796* *85* *Leu* *CB* *C* *42.212* *.* *1* old residue 85 adding: *797* *85* *Leu* *CG* *C* *26.770* *.* *1* old residue 85 adding: *798* *85* *Leu* *CD1* *C* *24.730* *.* *1* old residue 85 adding: *799* *85* *Leu* *CD2* *C* *23.249* *.* *1* old residue 85 adding: *800* *85* *Leu* *N* *N* *122.416* *.* *1* new residue 86 adding: *801* *86* *Ala* *H* *H* *8.249* *.* *1* old residue 86 adding: *802* *86* *Ala* *HA* *H* *4.291* *.* *1* old residue 86 adding: *803* *86* *Ala* *HB* *H* *1.340* *.* *1* old residue 86 adding: *804* *86* *Ala* *CA* *C* *51.913* *.* *1* old residue 86 adding: *805* *86* *Ala* *CB* *C* *18.844* *.* *1* old residue 86 adding: *806* *86* *Ala* *N* *N* *124.920* *.* *1* new residue 87 adding: *807* *87* *Leu* *H* *H* *8.192* *.* *1* old residue 87 adding: *808* *87* *Leu* *HA* *H* *4.243* *.* *1* old residue 87 adding: *809* *87* *Leu* *HB2* *H* *1.598* *.* *2* old residue 87 adding: *810* *87* *Leu* *HB3* *H* *1.532* *.* *2* old residue 87 adding: *811* *87* *Leu* *HG* *H* *1.609* *.* *1* old residue 87 adding: *812* *87* *Leu* *HD1* *H* *0.892* *.* *2* old residue 87 adding: *813* *87* *Leu* *HD2* *H* *0.843* *.* *2* old residue 87 adding: *814* *87* *Leu* *CA* *C* *54.993* *.* *1* old residue 87 adding: *815* *87* *Leu* *CB* *C* *42.156* *.* *1* old residue 87 adding: *816* *87* *Leu* *CG* *C* *26.770* *.* *1* old residue 87 adding: *817* *87* *Leu* *CD1* *C* *24.730* *.* *1* old residue 87 adding: *818* *87* *Leu* *CD2* *C* *23.404* *.* *1* old residue 87 adding: *819* *87* *Leu* *N* *N* *121.500* *.* *1* new residue 88 adding: *820* *88* *Asp* *H* *H* *8.249* *.* *1* old residue 88 adding: *821* *88* *Asp* *HA* *H* *4.531* *.* *1* old residue 88 adding: *822* *88* *Asp* *HB2* *H* *2.665* *.* *2* old residue 88 adding: *823* *88* *Asp* *HB3* *H* *2.585* *.* *2* old residue 88 adding: *824* *88* *Asp* *CA* *C* *53.810* *.* *1* old residue 88 adding: *825* *88* *Asp* *CB* *C* *40.945* *.* *1* old residue 88 adding: *826* *88* *Asp* *N* *N* *120.584* *.* *1* new residue 89 adding: *827* *89* *Ala* *H* *H* *8.108* *.* *1* old residue 89 adding: *828* *89* *Ala* *HA* *H* *4.252* *.* *1* old residue 89 adding: *829* *89* *Ala* *HB* *H* *1.355* *.* *1* old residue 89 adding: *830* *89* *Ala* *CA* *C* *52.504* *.* *1* old residue 89 adding: *831* *89* *Ala* *CB* *C* *19.012* *.* *1* old residue 89 adding: *832* *89* *Ala* *N* *N* *123.943* *.* *1* new residue 90 adding: *833* *90* *Asn* *H* *H* *8.376* *.* *1* old residue 90 adding: *834* *90* *Asn* *HA* *H* *4.671* *.* *1* old residue 90 adding: *835* *90* *Asn* *HB2* *H* *2.832* *.* *2* old residue 90 adding: *836* *90* *Asn* *HB3* *H* *2.714* *.* *2* old residue 90 adding: *837* *90* *Asn* *HD21* *H* *7.632* *.* *2* old residue 90 adding: *838* *90* *Asn* *HD22* *H* *6.890* *.* *2* old residue 90 adding: *839* *90* *Asn* *CA* *C* *53.214* *.* *1* old residue 90 adding: *840* *90* *Asn* *CB* *C* *38.593* *.* *1* old residue 90 adding: *841* *90* *Asn* *N* *N* *117.470* *.* *1* old residue 90 adding: *842* *90* *Asn* *ND2* *N* *113.245* *.* *1* new residue 91 adding: *843* *91* *Lys* *H* *H* *7.717* *.* *1* old residue 91 adding: *844* *91* *Lys* *HA* *H* *4.102* *.* *1* old residue 91 adding: *845* *91* *Lys* *HB2* *H* *1.792* *.* *2* old residue 91 adding: *846* *91* *Lys* *HB3* *H* *1.687* *.* *2* old residue 91 adding: *847* *91* *Lys* *HG2* *H* *1.350* *.* *2* old residue 91 adding: *848* *91* *Lys* *HG3* *H* *1.350* *.* *2* old residue 91 adding: *849* *91* *Lys* *HD2* *H* *1.637* *.* *2* old residue 91 adding: *850* *91* *Lys* *HD3* *H* *1.636* *.* *2* old residue 91 adding: *851* *91* *Lys* *HE2* *H* *2.965* *.* *2* old residue 91 adding: *852* *91* *Lys* *HE3* *H* *2.965* *.* *2* old residue 91 adding: *853* *91* *Lys* *CA* *C* *57.532* *.* *1* old residue 91 adding: *854* *91* *Lys* *CB* *C* *33.330* *.* *1* old residue 91 adding: *855* *91* *Lys* *CG* *C* *24.403* *.* *1* old residue 91 adding: *856* *91* *Lys* *CD* *C* *28.938* *.* *1* old residue 91 adding: *857* *91* *Lys* *CE* *C* *41.863* *.* *1* old residue 91 adding: *858* *91* *Lys* *N* *N* *126.141* *.* *1* seqcode size is : 81 seqcode: 33 shift counts are : 10 seqcode: 32 shift counts are : 15 seqcode: 90 shift counts are : 10 seqcode: 63 shift counts are : 10 seqcode: 21 shift counts are : 12 seqcode: 71 shift counts are : 6 seqcode: 80 shift counts are : 17 seqcode: 26 shift counts are : 16 seqcode: 18 shift counts are : 10 seqcode: 72 shift counts are : 6 seqcode: 16 shift counts are : 5 seqcode: 44 shift counts are : 16 seqcode: 55 shift counts are : 13 seqcode: 84 shift counts are : 11 seqcode: 74 shift counts are : 6 seqcode: 27 shift counts are : 15 seqcode: 57 shift counts are : 17 seqcode: 61 shift counts are : 5 seqcode: 20 shift counts are : 10 seqcode: 89 shift counts are : 6 seqcode: 10 shift counts are : 7 seqcode: 31 shift counts are : 16 seqcode: 35 shift counts are : 13 seqcode: 11 shift counts are : 12 seqcode: 91 shift counts are : 16 seqcode: 78 shift counts are : 16 seqcode: 48 shift counts are : 12 seqcode: 87 shift counts are : 13 seqcode: 77 shift counts are : 10 seqcode: 65 shift counts are : 16 seqcode: 29 shift counts are : 5 seqcode: 50 shift counts are : 10 seqcode: 39 shift counts are : 5 seqcode: 64 shift counts are : 16 seqcode: 58 shift counts are : 13 seqcode: 12 shift counts are : 13 seqcode: 15 shift counts are : 9 seqcode: 81 shift counts are : 11 seqcode: 52 shift counts are : 10 seqcode: 60 shift counts are : 6 seqcode: 56 shift counts are : 16 seqcode: 73 shift counts are : 13 seqcode: 66 shift counts are : 10 seqcode: 45 shift counts are : 12 seqcode: 86 shift counts are : 6 seqcode: 76 shift counts are : 13 seqcode: 19 shift counts are : 11 seqcode: 62 shift counts are : 7 seqcode: 54 shift counts are : 5 seqcode: 67 shift counts are : 6 seqcode: 70 shift counts are : 15 seqcode: 68 shift counts are : 16 seqcode: 17 shift counts are : 16 seqcode: 88 shift counts are : 7 seqcode: 30 shift counts are : 13 seqcode: 82 shift counts are : 7 seqcode: 25 shift counts are : 10 seqcode: 28 shift counts are : 13 seqcode: 83 shift counts are : 8 seqcode: 75 shift counts are : 6 seqcode: 40 shift counts are : 5 seqcode: 14 shift counts are : 16 seqcode: 59 shift counts are : 5 seqcode: 69 shift counts are : 6 seqcode: 49 shift counts are : 10 seqcode: 24 shift counts are : 10 seqcode: 53 shift counts are : 7 seqcode: 79 shift counts are : 13 seqcode: 42 shift counts are : 7 seqcode: 22 shift counts are : 10 seqcode: 46 shift counts are : 15 seqcode: 23 shift counts are : 13 seqcode: 13 shift counts are : 8 seqcode: 85 shift counts are : 13 seqcode: 36 shift counts are : 7 seqcode: 51 shift counts are : 10 seqcode: 47 shift counts are : 10 seqcode: 38 shift counts are : 8 seqcode: 34 shift counts are : 13 seqcode: 37 shift counts are : 10 seqcode: 43 shift counts are : 7 setting ambig code at 116 for HG2 to 2 setting ambig code at 115 for HG1 to 2 setting ambig code at 818 for HD2 to 2 setting ambig code at 817 for HD1 to 2 setting ambig code at 434 for HG2 to 2 setting ambig code at 433 for HG1 to 2 setting ambig code at 31 for HD2 to 2 setting ambig code at 30 for HD1 to 2 setting ambig code at 454 for HG2 to 2 setting ambig code at 453 for HG1 to 2 setting ambig code at 668 for HD2 to 2 setting ambig code at 667 for HD1 to 2 setting ambig code at 600 for HG2 to 2 setting ambig code at 599 for HG1 to 2 setting ambig code at 693 for HD2 to 2 setting ambig code at 692 for HD1 to 2 setting ambig code at 233 for HD2 to 2 setting ambig code at 232 for HD1 to 2 setting ambig code at 732 for HD2 to 2 setting ambig code at 731 for HD1 to 2 setting ambig code at 151 for HD2 to 2 setting ambig code at 150 for HD1 to 2 setting ambig code at 799 for HD2 to 2 setting ambig code at 798 for HD1 to 2 setting ambig code at 402 for HG2 to 2 setting ambig code at 401 for HG1 to 2 setting ambig code at 287 for HD2 to 2 setting ambig code at 286 for HD1 to 2 1 10 HIS HA H 4.584 . 1 2 10 HIS HB2 H 3.058 . 2 3 10 HIS HB3 H 3.057 . 2 4 10 HIS HD2 H 7.005 . 1 5 10 HIS CA C 56.144 . 1 6 10 HIS CB C 30.024 . 1 7 10 HIS CD2 C 119.732 . 1 8 11 MET H H 8.102 . 1 9 11 MET HA H 4.318 . 1 10 11 MET HB2 H 1.894 . 2 11 11 MET HB3 H 1.892 . 2 12 11 MET HG2 H 2.315 . 2 13 11 MET HG3 H 2.249 . 2 14 11 MET HE H 1.768 . 1 15 11 MET CA C 55.347 . 1 16 11 MET CB C 32.096 . 1 17 11 MET CG C 31.621 . 1 18 11 MET CE C 16.186 . 1 19 11 MET N N 119.730 . 1 20 12 LEU H H 7.857 . 1 21 12 LEU HA H 4.609 . 1 22 12 LEU HB2 H 1.598 . 2 23 12 LEU HB3 H 1.375 . 2 24 12 LEU HG H 1.463 . 1 25 12 LEU HD1 H 0.745 . 2 26 12 LEU HD2 H 0.662 . 2 27 12 LEU CA C 53.770 . 1 28 12 LEU CB C 43.730 . 1 29 12 LEU CG C 26.471 . 1 30 12 LEU CD1 C 24.910 . 2 31 12 LEU CD2 C 22.699 . 2 32 12 LEU N N 120.405 . 1 33 13 THR H H 8.438 . 1 34 13 THR HA H 4.334 . 1 35 13 THR HB H 4.481 . 1 36 13 THR HG2 H 1.102 . 1 37 13 THR CA C 60.928 . 1 38 13 THR CB C 70.504 . 1 39 13 THR CG2 C 21.440 . 1 40 13 THR N N 110.786 . 1 41 14 LYS H H 8.882 . 1 42 14 LYS HA H 4.100 . 1 43 14 LYS HB2 H 1.646 . 2 44 14 LYS HB3 H 1.646 . 2 45 14 LYS HG2 H 1.201 . 2 46 14 LYS HG3 H 1.098 . 2 47 14 LYS HD2 H 1.583 . 2 48 14 LYS HD3 H 1.582 . 2 49 14 LYS HE2 H 2.913 . 2 50 14 LYS HE3 H 2.910 . 2 51 14 LYS CA C 57.394 . 1 52 14 LYS CB C 31.920 . 1 53 14 LYS CG C 23.952 . 1 54 14 LYS CD C 28.780 . 1 55 14 LYS CE C 41.780 . 1 56 14 LYS N N 121.792 . 1 57 15 HIS H H 7.933 . 1 58 15 HIS HA H 4.722 . 1 59 15 HIS HB2 H 3.326 . 2 60 15 HIS HB3 H 2.964 . 2 61 15 HIS HD2 H 7.164 . 1 62 15 HIS CA C 55.054 . 1 63 15 HIS CB C 29.330 . 1 64 15 HIS CD2 C 119.628 . 1 65 15 HIS N N 116.562 . 1 66 16 GLY H H 8.289 . 1 67 16 GLY HA2 H 3.669 . 2 68 16 GLY HA3 H 3.972 . 2 69 16 GLY CA C 45.702 . 1 70 16 GLY N N 108.560 . 1 71 17 LYS H H 7.598 . 1 72 17 LYS HA H 4.452 . 1 73 17 LYS HB2 H 1.721 . 2 74 17 LYS HB3 H 1.720 . 2 75 17 LYS HG2 H 1.238 . 2 76 17 LYS HG3 H 1.270 . 2 77 17 LYS HD2 H 1.509 . 2 78 17 LYS HD3 H 1.509 . 2 79 17 LYS HE2 H 2.846 . 2 80 17 LYS HE3 H 2.856 . 2 81 17 LYS CA C 54.364 . 1 82 17 LYS CB C 34.028 . 1 83 17 LYS CG C 24.910 . 1 84 17 LYS CD C 28.780 . 1 85 17 LYS CE C 41.780 . 1 86 17 LYS N N 118.491 . 1 87 18 ASN H H 8.783 . 1 88 18 ASN HA H 4.849 . 1 89 18 ASN HB2 H 2.859 . 2 90 18 ASN HB3 H 2.860 . 2 91 18 ASN HD21 H 7.921 . 2 92 18 ASN HD22 H 7.121 . 2 93 18 ASN CA C 50.950 . 1 94 18 ASN CB C 38.544 . 1 95 18 ASN N N 121.134 . 1 96 18 ASN ND2 N 114.693 . 1 97 19 PRO HA H 3.987 . 1 98 19 PRO HB2 H 1.980 . 2 99 19 PRO HB3 H 1.984 . 2 100 19 PRO HG2 H 1.960 . 2 101 19 PRO HG3 H 1.867 . 2 102 19 PRO HD2 H 4.023 . 2 103 19 PRO HD3 H 3.791 . 2 104 19 PRO CA C 64.880 . 1 105 19 PRO CB C 32.458 . 1 106 19 PRO CG C 27.996 . 1 107 19 PRO CD C 50.752 . 1 108 20 VAL H H 7.594 . 1 109 20 VAL HA H 3.385 . 1 110 20 VAL HB H 1.938 . 1 111 20 VAL HG1 H 0.745 . 2 112 20 VAL HG2 H 0.729 . 2 113 20 VAL CA C 65.785 . 1 114 20 VAL CB C 31.442 . 1 115 20 VAL CG1 C 20.537 . 2 116 20 VAL CG2 C 22.467 . 2 117 20 VAL N N 116.615 . 1 118 21 MET H H 7.120 . 1 119 21 MET HA H 4.144 . 1 120 21 MET HB2 H 2.058 . 2 121 21 MET HB3 H 2.149 . 2 122 21 MET HG2 H 2.628 . 2 123 21 MET HG3 H 2.457 . 2 124 21 MET HE H 2.056 . 1 125 21 MET CA C 57.745 . 1 126 21 MET CB C 32.010 . 1 127 21 MET CG C 32.070 . 1 128 21 MET CE C 17.058 . 1 129 21 MET N N 119.057 . 1 130 22 GLU H H 8.232 . 1 131 22 GLU HA H 3.889 . 1 132 22 GLU HB2 H 1.842 . 2 133 22 GLU HB3 H 1.943 . 2 134 22 GLU HG2 H 2.067 . 2 135 22 GLU HG3 H 2.118 . 2 136 22 GLU CA C 59.271 . 1 137 22 GLU CB C 29.303 . 1 138 22 GLU CG C 36.010 . 1 139 22 GLU N N 120.421 . 1 140 23 LEU H H 8.383 . 1 141 23 LEU HA H 3.931 . 1 142 23 LEU HB2 H 2.016 . 2 143 23 LEU HB3 H 1.259 . 2 144 23 LEU HG H 1.610 . 1 145 23 LEU HD1 H 0.787 . 2 146 23 LEU HD2 H 0.912 . 2 147 23 LEU CA C 57.734 . 1 148 23 LEU CB C 40.481 . 1 149 23 LEU CG C 26.770 . 1 150 23 LEU CD1 C 22.272 . 2 151 23 LEU CD2 C 26.040 . 2 152 23 LEU N N 119.181 . 1 153 24 ASN H H 7.743 . 1 154 24 ASN HA H 4.629 . 1 155 24 ASN HB2 H 2.922 . 2 156 24 ASN HB3 H 2.857 . 2 157 24 ASN HD21 H 7.871 . 2 158 24 ASN HD22 H 6.978 . 2 159 24 ASN CA C 54.698 . 1 160 24 ASN CB C 38.331 . 1 161 24 ASN N N 116.978 . 1 162 24 ASN ND2 N 115.411 . 1 163 25 GLU H H 7.363 . 1 164 25 GLU HA H 3.972 . 1 165 25 GLU HB2 H 1.993 . 2 166 25 GLU HB3 H 2.095 . 2 167 25 GLU HG2 H 2.216 . 2 168 25 GLU HG3 H 2.445 . 2 169 25 GLU CA C 57.778 . 1 170 25 GLU CB C 29.473 . 1 171 25 GLU CG C 36.171 . 1 172 25 GLU N N 115.271 . 1 173 26 LYS H H 7.266 . 1 174 26 LYS HA H 4.103 . 1 175 26 LYS HB2 H 1.308 . 2 176 26 LYS HB3 H 1.518 . 2 177 26 LYS HG2 H 0.747 . 2 178 26 LYS HG3 H 1.205 . 2 179 26 LYS HD2 H 0.849 . 2 180 26 LYS HD3 H 0.897 . 2 181 26 LYS HE2 H 2.515 . 2 182 26 LYS HE3 H 2.518 . 2 183 26 LYS CA C 56.048 . 1 184 26 LYS CB C 33.484 . 1 185 26 LYS CG C 23.978 . 1 186 26 LYS CD C 27.681 . 1 187 26 LYS CE C 42.018 . 1 188 26 LYS N N 116.251 . 1 189 27 ARG H H 8.158 . 1 190 27 ARG HA H 4.619 . 1 191 27 ARG HB2 H 1.775 . 2 192 27 ARG HB3 H 1.698 . 2 193 27 ARG HG2 H 1.417 . 2 194 27 ARG HG3 H 1.518 . 2 195 27 ARG HD2 H 3.184 . 2 196 27 ARG HD3 H 3.586 . 2 197 27 ARG HE H 9.135 . 1 198 27 ARG CA C 52.505 . 1 199 27 ARG CB C 32.721 . 1 200 27 ARG CG C 26.703 . 1 201 27 ARG CD C 42.179 . 1 202 27 ARG N N 120.876 . 1 203 27 ARG NE N 85.606 . 1 204 28 ARG H H 8.350 . 1 205 28 ARG HA H 4.407 . 1 206 28 ARG HB2 H 1.786 . 2 207 28 ARG HB3 H 1.766 . 2 208 28 ARG HG2 H 1.660 . 2 209 28 ARG HG3 H 1.662 . 2 210 28 ARG HD2 H 3.161 . 2 211 28 ARG HD3 H 3.208 . 2 212 28 ARG CA C 55.680 . 1 213 28 ARG CB C 30.867 . 1 214 28 ARG CG C 27.038 . 1 215 28 ARG CD C 43.100 . 1 216 28 ARG N N 122.416 . 1 217 29 GLY H H 8.586 . 1 218 29 GLY HA2 H 3.830 . 2 219 29 GLY HA3 H 3.870 . 2 220 29 GLY CA C 46.262 . 1 221 29 GLY N N 108.952 . 1 222 30 LEU H H 8.111 . 1 223 30 LEU HA H 4.225 . 1 224 30 LEU HB2 H 1.691 . 2 225 30 LEU HB3 H 0.897 . 2 226 30 LEU HG H 1.540 . 1 227 30 LEU HD1 H 0.769 . 2 228 30 LEU HD2 H 0.868 . 2 229 30 LEU CA C 54.951 . 1 230 30 LEU CB C 41.578 . 1 231 30 LEU CG C 26.060 . 1 232 30 LEU CD1 C 26.767 . 2 233 30 LEU CD2 C 22.288 . 2 234 30 LEU N N 119.363 . 1 235 31 LYS H H 8.494 . 1 236 31 LYS HA H 4.599 . 1 237 31 LYS HB2 H 1.786 . 2 238 31 LYS HB3 H 1.700 . 2 239 31 LYS HG2 H 1.407 . 2 240 31 LYS HG3 H 1.299 . 2 241 31 LYS HD2 H 1.671 . 2 242 31 LYS HD3 H 1.673 . 2 243 31 LYS HE2 H 2.968 . 2 244 31 LYS HE3 H 2.969 . 2 245 31 LYS CA C 54.656 . 1 246 31 LYS CB C 34.201 . 1 247 31 LYS CG C 24.467 . 1 248 31 LYS CD C 28.918 . 1 249 31 LYS CE C 41.780 . 1 250 31 LYS N N 121.744 . 1 251 32 TYR H H 8.680 . 1 252 32 TYR HA H 4.944 . 1 253 32 TYR HB2 H 2.513 . 2 254 32 TYR HB3 H 2.856 . 2 255 32 TYR HD1 H 6.819 . 1 256 32 TYR HD2 H 6.819 . 1 257 32 TYR HE1 H 6.663 . 1 258 32 TYR HE2 H 6.663 . 1 259 32 TYR CA C 56.764 . 1 260 32 TYR CB C 39.337 . 1 261 32 TYR CD1 C 132.711 . 1 262 32 TYR CD2 C 132.832 . 1 263 32 TYR CE1 C 117.475 . 1 264 32 TYR CE2 C 117.436 . 1 265 32 TYR N N 124.248 . 1 266 33 GLU H H 9.441 . 1 267 33 GLU HA H 4.634 . 1 268 33 GLU HB2 H 1.943 . 2 269 33 GLU HB3 H 1.814 . 2 270 33 GLU HG2 H 2.219 . 2 271 33 GLU HG3 H 2.060 . 2 272 33 GLU CA C 54.211 . 1 273 33 GLU CB C 32.610 . 1 274 33 GLU CG C 35.425 . 1 275 33 GLU N N 124.370 . 1 276 34 LEU H H 8.791 . 1 277 34 LEU HA H 4.975 . 1 278 34 LEU HB2 H 1.995 . 2 279 34 LEU HB3 H 1.421 . 2 280 34 LEU HG H 1.515 . 1 281 34 LEU HD1 H 1.216 . 2 282 34 LEU HD2 H 1.060 . 2 283 34 LEU CA C 54.951 . 1 284 34 LEU CB C 41.622 . 1 285 34 LEU CG C 27.401 . 1 286 34 LEU CD1 C 25.002 . 2 287 34 LEU CD2 C 26.575 . 2 288 34 LEU N N 126.771 . 1 289 35 ILE H H 8.979 . 1 290 35 ILE HA H 4.358 . 1 291 35 ILE HB H 1.873 . 1 292 35 ILE HG12 H 1.142 . 2 293 35 ILE HG13 H 1.229 . 2 294 35 ILE HG2 H 0.823 . 1 295 35 ILE HD1 H 0.651 . 1 296 35 ILE CA C 60.307 . 1 297 35 ILE CB C 37.614 . 1 298 35 ILE CG1 C 26.818 . 1 299 35 ILE CG2 C 17.071 . 1 300 35 ILE CD1 C 10.733 . 1 301 35 ILE N N 126.944 . 1 302 36 SER H H 7.562 . 1 303 36 SER HA H 4.560 . 1 304 36 SER HB2 H 3.753 . 2 305 36 SER HB3 H 3.571 . 2 306 36 SER CA C 57.608 . 1 307 36 SER CB C 64.536 . 1 308 36 SER N N 112.175 . 1 309 37 GLU H H 8.317 . 1 310 37 GLU HA H 4.815 . 1 311 37 GLU HB2 H 1.815 . 2 312 37 GLU HB3 H 1.861 . 2 313 37 GLU HG2 H 1.502 . 2 314 37 GLU HG3 H 1.787 . 2 315 37 GLU CA C 54.867 . 1 316 37 GLU CB C 31.820 . 1 317 37 GLU CG C 35.453 . 1 318 37 GLU N N 125.042 . 1 319 38 THR H H 8.480 . 1 320 38 THR HA H 4.614 . 1 321 38 THR HB H 4.188 . 1 322 38 THR HG2 H 1.079 . 1 323 38 THR CA C 59.865 . 1 324 38 THR CB C 71.532 . 1 325 38 THR CG2 C 21.237 . 1 326 38 THR N N 116.676 . 1 327 39 GLY H H 8.375 . 1 328 39 GLY HA2 H 3.718 . 2 329 39 GLY HA3 H 4.271 . 2 330 39 GLY CA C 44.133 . 1 331 39 GLY N N 107.816 . 1 332 40 GLY H H 8.375 . 1 333 40 GLY HA2 H 3.766 . 2 334 40 GLY HA3 H 4.207 . 2 335 40 GLY CA C 44.350 . 1 336 40 GLY N N 108.249 . 1 337 42 HIS HA H 4.634 . 1 338 42 HIS HB2 H 3.107 . 2 339 42 HIS HB3 H 3.202 . 2 340 42 HIS HD2 H 7.093 . 1 341 42 HIS CA C 56.519 . 1 342 42 HIS CB C 29.883 . 1 343 42 HIS CD2 C 119.565 . 1 344 43 ASP H H 7.986 . 1 345 43 ASP HA H 4.607 . 1 346 43 ASP HB2 H 2.579 . 2 347 43 ASP HB3 H 2.437 . 2 348 43 ASP CA C 53.075 . 1 349 43 ASP CB C 39.918 . 1 350 43 ASP N N 120.127 . 1 351 44 LYS H H 7.572 . 1 352 44 LYS HA H 4.337 . 1 353 44 LYS HB2 H 1.814 . 2 354 44 LYS HB3 H 1.541 . 2 355 44 LYS HG2 H 1.369 . 2 356 44 LYS HG3 H 1.177 . 2 357 44 LYS HD2 H 1.420 . 2 358 44 LYS HD3 H 1.290 . 2 359 44 LYS HE2 H 2.644 . 2 360 44 LYS HE3 H 2.712 . 2 361 44 LYS CA C 55.119 . 1 362 44 LYS CB C 32.298 . 1 363 44 LYS CG C 23.897 . 1 364 44 LYS CD C 27.576 . 1 365 44 LYS CE C 41.780 . 1 366 44 LYS N N 121.439 . 1 367 45 ARG HA H 4.354 . 1 368 45 ARG HB2 H 1.509 . 2 369 45 ARG HB3 H 1.453 . 2 370 45 ARG HG2 H 1.172 . 2 371 45 ARG HG3 H 1.317 . 2 372 45 ARG HD2 H 2.954 . 2 373 45 ARG HD3 H 2.954 . 2 374 45 ARG HE H 7.050 . 1 375 45 ARG CB C 32.593 . 1 376 45 ARG CG C 27.310 . 1 377 45 ARG CD C 43.100 . 1 378 45 ARG NE N 84.677 . 1 379 46 PHE HA H 5.158 . 1 380 46 PHE HB2 H 2.587 . 2 381 46 PHE HB3 H 2.550 . 2 382 46 PHE HD1 H 7.016 . 1 383 46 PHE HD2 H 7.016 . 1 384 46 PHE HE1 H 7.342 . 1 385 46 PHE HE2 H 7.342 . 1 386 46 PHE HZ H 7.319 . 1 387 46 PHE CA C 56.571 . 1 388 46 PHE CB C 41.460 . 1 389 46 PHE CD1 C 131.214 . 1 390 46 PHE CD2 C 131.231 . 1 391 46 PHE CE1 C 131.199 . 1 392 46 PHE CE2 C 131.076 . 1 393 46 PHE CZ C 129.898 . 1 394 47 VAL H H 8.625 . 1 395 47 VAL HA H 5.045 . 1 396 47 VAL HB H 1.931 . 1 397 47 VAL HG1 H 0.821 . 2 398 47 VAL HG2 H 0.840 . 2 399 47 VAL CA C 61.279 . 1 400 47 VAL CB C 33.479 . 1 401 47 VAL CG1 C 20.927 . 2 402 47 VAL CG2 C 20.610 . 2 403 47 VAL N N 119.944 . 1 404 48 MET H H 9.230 . 1 405 48 MET HA H 5.610 . 1 406 48 MET HB2 H 1.793 . 2 407 48 MET HB3 H 1.751 . 2 408 48 MET HG2 H 2.529 . 2 409 48 MET HG3 H 2.345 . 2 410 48 MET HE H 1.931 . 1 411 48 MET CA C 52.170 . 1 412 48 MET CB C 35.417 . 1 413 48 MET CG C 33.062 . 1 414 48 MET CE C 17.038 . 1 415 48 MET N N 125.432 . 1 416 49 GLU H H 9.430 . 1 417 49 GLU HA H 5.671 . 1 418 49 GLU HB2 H 1.845 . 2 419 49 GLU HB3 H 2.018 . 2 420 49 GLU HG2 H 2.016 . 2 421 49 GLU HG3 H 1.927 . 2 422 49 GLU CA C 54.091 . 1 423 49 GLU CB C 35.842 . 1 424 49 GLU CG C 38.624 . 1 425 49 GLU N N 121.511 . 1 426 50 VAL H H 9.162 . 1 427 50 VAL HA H 4.754 . 1 428 50 VAL HB H 1.324 . 1 429 50 VAL HG1 H 0.696 . 2 430 50 VAL HG2 H 0.262 . 2 431 50 VAL CA C 58.548 . 1 432 50 VAL CB C 35.927 . 1 433 50 VAL CG1 C 18.309 . 2 434 50 VAL CG2 C 21.310 . 2 435 50 VAL N N 125.164 . 1 436 51 GLU H H 8.063 . 1 437 51 GLU HA H 5.288 . 1 438 51 GLU HB2 H 1.968 . 2 439 51 GLU HB3 H 1.683 . 2 440 51 GLU HG2 H 1.807 . 2 441 51 GLU HG3 H 1.808 . 2 442 51 GLU CA C 53.988 . 1 443 51 GLU CB C 31.035 . 1 444 51 GLU CG C 36.411 . 1 445 51 GLU N N 129.133 . 1 446 52 VAL H H 9.375 . 1 447 52 VAL HA H 4.271 . 1 448 52 VAL HB H 2.161 . 1 449 52 VAL HG1 H 0.943 . 2 450 52 VAL HG2 H 0.938 . 2 451 52 VAL CA C 60.843 . 1 452 52 VAL CB C 33.843 . 1 453 52 VAL CG1 C 22.154 . 2 454 52 VAL CG2 C 22.041 . 2 455 52 VAL N N 126.813 . 1 456 53 ASP H H 9.154 . 1 457 53 ASP HA H 4.237 . 1 458 53 ASP HB2 H 2.897 . 2 459 53 ASP HB3 H 2.783 . 2 460 53 ASP CA C 54.764 . 1 461 53 ASP CB C 38.138 . 1 462 53 ASP N N 127.118 . 1 463 54 GLY H H 8.781 . 1 464 54 GLY HA2 H 3.638 . 2 465 54 GLY HA3 H 4.065 . 2 466 54 GLY CA C 45.165 . 1 467 54 GLY N N 103.187 . 1 468 55 GLN H H 8.023 . 1 469 55 GLN HA H 4.418 . 1 470 55 GLN HB2 H 2.037 . 2 471 55 GLN HB3 H 1.749 . 2 472 55 GLN HG2 H 2.165 . 2 473 55 GLN HG3 H 2.038 . 2 474 55 GLN HE21 H 6.797 . 2 475 55 GLN HE22 H 7.537 . 2 476 55 GLN CA C 54.022 . 1 477 55 GLN CB C 31.625 . 1 478 55 GLN CG C 33.960 . 1 479 55 GLN N N 121.223 . 1 480 55 GLN NE2 N 111.810 . 1 481 56 LYS H H 8.203 . 1 482 56 LYS HA H 4.663 . 1 483 56 LYS HB2 H 1.501 . 2 484 56 LYS HB3 H 1.377 . 2 485 56 LYS HG2 H 1.067 . 2 486 56 LYS HG3 H 1.279 . 2 487 56 LYS HD2 H 1.532 . 2 488 56 LYS HD3 H 1.392 . 2 489 56 LYS HE2 H 2.816 . 2 490 56 LYS HE3 H 2.812 . 2 491 56 LYS CA C 55.288 . 1 492 56 LYS CB C 34.153 . 1 493 56 LYS CG C 25.282 . 1 494 56 LYS CD C 28.780 . 1 495 56 LYS CE C 41.780 . 1 496 56 LYS N N 120.645 . 1 497 57 PHE H H 8.797 . 1 498 57 PHE HA H 4.654 . 1 499 57 PHE HB2 H 3.165 . 2 500 57 PHE HB3 H 2.804 . 2 501 57 PHE HD1 H 7.155 . 1 502 57 PHE HD2 H 7.155 . 1 503 57 PHE HE1 H 7.210 . 1 504 57 PHE HE2 H 7.210 . 1 505 57 PHE HZ H 6.933 . 1 506 57 PHE CA C 57.356 . 1 507 57 PHE CB C 41.580 . 1 508 57 PHE CD1 C 132.473 . 1 509 57 PHE CD2 C 132.689 . 1 510 57 PHE CE1 C 131.275 . 1 511 57 PHE CE2 C 131.314 . 1 512 57 PHE CZ C 127.989 . 1 513 57 PHE N N 121.500 . 1 514 58 GLN H H 8.642 . 1 515 58 GLN HA H 5.808 . 1 516 58 GLN HB2 H 1.961 . 2 517 58 GLN HB3 H 1.891 . 2 518 58 GLN HG2 H 2.387 . 2 519 58 GLN HG3 H 2.274 . 2 520 58 GLN HE21 H 8.214 . 2 521 58 GLN HE22 H 6.558 . 2 522 58 GLN CA C 53.896 . 1 523 58 GLN CB C 31.624 . 1 524 58 GLN CG C 33.720 . 1 525 58 GLN N N 119.546 . 1 526 58 GLN NE2 N 111.234 . 1 527 59 GLY H H 8.835 . 1 528 59 GLY HA2 H 4.059 . 2 529 59 GLY HA3 H 4.447 . 2 530 59 GLY CA C 44.691 . 1 531 59 GLY N N 107.365 . 1 532 60 ALA H H 8.309 . 1 533 60 ALA HA H 6.084 . 1 534 60 ALA HB H 1.309 . 1 535 60 ALA CA C 49.561 . 1 536 60 ALA CB C 23.272 . 1 537 60 ALA N N 123.517 . 1 538 61 GLY H H 8.533 . 1 539 61 GLY HA2 H 4.487 . 2 540 61 GLY HA3 H 4.075 . 2 541 61 GLY CA C 45.163 . 1 542 61 GLY N N 103.241 . 1 543 62 SER H H 8.894 . 1 544 62 SER HA H 4.712 . 1 545 62 SER HB2 H 4.118 . 2 546 62 SER HB3 H 3.989 . 2 547 62 SER CA C 59.423 . 1 548 62 SER CB C 63.260 . 1 549 62 SER N N 114.556 . 1 550 63 ASN H H 7.522 . 1 551 63 ASN HA H 4.624 . 1 552 63 ASN HB2 H 2.914 . 2 553 63 ASN HB3 H 2.862 . 2 554 63 ASN HD21 H 7.584 . 2 555 63 ASN HD22 H 6.765 . 2 556 63 ASN CA C 51.744 . 1 557 63 ASN CB C 40.651 . 1 558 63 ASN N N 112.606 . 1 559 63 ASN ND2 N 115.048 . 1 560 64 LYS H H 8.290 . 1 561 64 LYS HA H 3.279 . 1 562 64 LYS HB2 H 1.361 . 2 563 64 LYS HB3 H 1.440 . 2 564 64 LYS HG2 H 0.581 . 2 565 64 LYS HG3 H 0.705 . 2 566 64 LYS HD2 H 1.455 . 2 567 64 LYS HD3 H 1.524 . 2 568 64 LYS HE2 H 2.743 . 2 569 64 LYS HE3 H 2.741 . 2 570 64 LYS CA C 60.434 . 1 571 64 LYS CB C 32.256 . 1 572 64 LYS CG C 26.138 . 1 573 64 LYS CD C 29.202 . 1 574 64 LYS CE C 41.780 . 1 575 64 LYS N N 119.851 . 1 576 65 LYS H H 7.846 . 1 577 65 LYS HA H 3.736 . 1 578 65 LYS HB2 H 1.787 . 2 579 65 LYS HB3 H 1.735 . 2 580 65 LYS HG2 H 1.445 . 2 581 65 LYS HG3 H 1.263 . 2 582 65 LYS HD2 H 1.577 . 2 583 65 LYS HD3 H 1.580 . 2 584 65 LYS HE2 H 2.881 . 2 585 65 LYS HE3 H 2.885 . 2 586 65 LYS CA C 59.936 . 1 587 65 LYS CB C 31.715 . 1 588 65 LYS CG C 25.330 . 1 589 65 LYS CD C 28.780 . 1 590 65 LYS CE C 41.780 . 1 591 65 LYS N N 119.363 . 1 592 66 VAL H H 8.261 . 1 593 66 VAL HA H 3.610 . 1 594 66 VAL HB H 1.842 . 1 595 66 VAL HG1 H 1.116 . 2 596 66 VAL HG2 H 1.041 . 2 597 66 VAL CA C 65.201 . 1 598 66 VAL CB C 31.971 . 1 599 66 VAL CG1 C 21.650 . 2 600 66 VAL CG2 C 22.540 . 2 601 66 VAL N N 120.889 . 1 602 67 ALA H H 7.414 . 1 603 67 ALA HA H 3.800 . 1 604 67 ALA HB H 1.370 . 1 605 67 ALA CA C 55.500 . 1 606 67 ALA CB C 18.307 . 1 607 67 ALA N N 121.317 . 1 608 68 LYS H H 7.980 . 1 609 68 LYS HA H 3.538 . 1 610 68 LYS HB2 H 1.602 . 2 611 68 LYS HB3 H 1.292 . 2 612 68 LYS HG2 H 1.367 . 2 613 68 LYS HG3 H 0.802 . 2 614 68 LYS HD2 H 1.225 . 2 615 68 LYS HD3 H 1.226 . 2 616 68 LYS HE2 H 2.225 . 2 617 68 LYS HE3 H 1.987 . 2 618 68 LYS CA C 60.078 . 1 619 68 LYS CB C 32.096 . 1 620 68 LYS CG C 25.665 . 1 621 68 LYS CD C 28.780 . 1 622 68 LYS CE C 40.796 . 1 623 68 LYS N N 115.457 . 1 624 69 ALA H H 7.521 . 1 625 69 ALA HA H 3.868 . 1 626 69 ALA HB H 1.384 . 1 627 69 ALA CA C 55.246 . 1 628 69 ALA CB C 17.663 . 1 629 69 ALA N N 119.816 . 1 630 70 TYR H H 8.334 . 1 631 70 TYR HA H 4.398 . 1 632 70 TYR HB2 H 2.984 . 2 633 70 TYR HB3 H 3.319 . 2 634 70 TYR HD1 H 7.329 . 1 635 70 TYR HD2 H 7.329 . 1 636 70 TYR HE1 H 6.802 . 1 637 70 TYR HE2 H 6.802 . 1 638 70 TYR CA C 61.488 . 1 639 70 TYR CB C 37.489 . 1 640 70 TYR CD1 C 132.797 . 1 641 70 TYR CD2 C 132.996 . 1 642 70 TYR CE1 C 117.885 . 1 643 70 TYR CE2 C 117.910 . 1 644 70 TYR N N 115.273 . 1 645 71 ALA H H 8.128 . 1 646 71 ALA HA H 3.966 . 1 647 71 ALA HB H 1.520 . 1 648 71 ALA CA C 55.371 . 1 649 71 ALA CB C 16.945 . 1 650 71 ALA N N 126.458 . 1 651 72 ALA H H 8.347 . 1 652 72 ALA HA H 3.961 . 1 653 72 ALA HB H 1.493 . 1 654 72 ALA CA C 54.316 . 1 655 72 ALA CB C 17.662 . 1 656 72 ALA N N 118.235 . 1 657 73 LEU H H 8.575 . 1 658 73 LEU HA H 3.912 . 1 659 73 LEU HB2 H 1.753 . 2 660 73 LEU HB3 H 1.671 . 2 661 73 LEU HG H 1.618 . 1 662 73 LEU HD1 H 0.775 . 2 663 73 LEU HD2 H 0.839 . 2 664 73 LEU CA C 57.607 . 1 665 73 LEU CB C 42.296 . 1 666 73 LEU CG C 26.718 . 1 667 73 LEU CD1 C 24.276 . 2 668 73 LEU CD2 C 24.715 . 2 669 73 LEU N N 117.616 . 1 670 74 ALA H H 7.800 . 1 671 74 ALA HA H 4.149 . 1 672 74 ALA HB H 1.775 . 1 673 74 ALA CA C 54.741 . 1 674 74 ALA CB C 17.662 . 1 675 74 ALA N N 121.011 . 1 676 75 ALA H H 7.359 . 1 677 75 ALA HA H 2.052 . 1 678 75 ALA HB H 0.868 . 1 679 75 ALA CA C 53.885 . 1 680 75 ALA CB C 19.181 . 1 681 75 ALA N N 121.317 . 1 682 76 LEU H H 8.543 . 1 683 76 LEU HA H 3.940 . 1 684 76 LEU HB2 H 1.946 . 2 685 76 LEU HB3 H 1.462 . 2 686 76 LEU HG H 1.807 . 1 687 76 LEU HD1 H 0.880 . 2 688 76 LEU HD2 H 0.715 . 2 689 76 LEU CA C 58.157 . 1 690 76 LEU CB C 41.917 . 1 691 76 LEU CG C 26.770 . 1 692 76 LEU CD1 C 26.000 . 2 693 76 LEU CD2 C 23.374 . 2 694 76 LEU N N 118.141 . 1 695 77 GLU H H 8.262 . 1 696 77 GLU HA H 3.870 . 1 697 77 GLU HB2 H 1.959 . 2 698 77 GLU HB3 H 2.067 . 2 699 77 GLU HG2 H 2.218 . 2 700 77 GLU HG3 H 2.458 . 2 701 77 GLU CA C 58.493 . 1 702 77 GLU CB C 29.431 . 1 703 77 GLU CG C 36.554 . 1 704 77 GLU N N 115.676 . 1 705 78 LYS H H 7.197 . 1 706 78 LYS HA H 4.256 . 1 707 78 LYS HB2 H 1.994 . 2 708 78 LYS HB3 H 1.870 . 2 709 78 LYS HG2 H 1.701 . 2 710 78 LYS HG3 H 1.456 . 2 711 78 LYS HD2 H 1.921 . 2 712 78 LYS HD3 H 1.783 . 2 713 78 LYS HE2 H 3.090 . 2 714 78 LYS HE3 H 3.089 . 2 715 78 LYS CA C 56.847 . 1 716 78 LYS CB C 33.269 . 1 717 78 LYS CG C 24.653 . 1 718 78 LYS CD C 28.247 . 1 719 78 LYS CE C 42.211 . 1 720 78 LYS N N 115.515 . 1 721 79 LEU H H 8.194 . 1 722 79 LEU HA H 4.006 . 1 723 79 LEU HB2 H 1.251 . 2 724 79 LEU HB3 H 0.375 . 2 725 79 LEU HG H 1.475 . 1 726 79 LEU HD1 H 0.736 . 2 727 79 LEU HD2 H 0.784 . 2 728 79 LEU CA C 55.458 . 1 729 79 LEU CB C 42.761 . 1 730 79 LEU CG C 26.770 . 1 731 79 LEU CD1 C 26.096 . 2 732 79 LEU CD2 C 21.774 . 2 733 79 LEU N N 115.310 . 1 734 80 PHE H H 7.864 . 1 735 80 PHE HA H 5.049 . 1 736 80 PHE HB2 H 3.178 . 2 737 80 PHE HB3 H 2.910 . 2 738 80 PHE HD1 H 7.201 . 1 739 80 PHE HD2 H 7.201 . 1 740 80 PHE HE1 H 7.029 . 1 741 80 PHE HE2 H 7.029 . 1 742 80 PHE HZ H 6.929 . 1 743 80 PHE CA C 54.371 . 1 744 80 PHE CB C 38.945 . 1 745 80 PHE CD1 C 132.978 . 1 746 80 PHE CD2 C 132.928 . 1 747 80 PHE CE1 C 130.379 . 1 748 80 PHE CE2 C 130.600 . 1 749 80 PHE CZ C 128.254 . 1 750 80 PHE N N 116.554 . 1 751 81 PRO HA H 4.414 . 1 752 81 PRO HB2 H 2.293 . 2 753 81 PRO HB3 H 1.970 . 2 754 81 PRO HG2 H 1.860 . 2 755 81 PRO HG3 H 1.920 . 2 756 81 PRO HD2 H 3.383 . 2 757 81 PRO HD3 H 3.156 . 2 758 81 PRO CA C 63.401 . 1 759 81 PRO CB C 31.471 . 1 760 81 PRO CG C 27.140 . 1 761 81 PRO CD C 50.056 . 1 762 82 ASP H H 8.541 . 1 763 82 ASP HA H 4.619 . 1 764 82 ASP HB2 H 2.685 . 2 765 82 ASP HB3 H 2.594 . 2 766 82 ASP CA C 54.191 . 1 767 82 ASP CB C 40.819 . 1 768 82 ASP N N 120.095 . 1 769 83 THR H H 8.074 . 1 770 83 THR HA H 4.567 . 1 771 83 THR HB H 4.124 . 1 772 83 THR HG2 H 1.212 . 1 773 83 THR CA C 59.454 . 1 774 83 THR CB C 69.709 . 1 775 83 THR CG2 C 21.060 . 1 776 83 THR N N 116.492 . 1 777 84 PRO HA H 4.367 . 1 778 84 PRO HB2 H 2.254 . 2 779 84 PRO HB3 H 1.854 . 2 780 84 PRO HG2 H 1.996 . 2 781 84 PRO HG3 H 1.949 . 2 782 84 PRO HD2 H 3.815 . 2 783 84 PRO HD3 H 3.673 . 2 784 84 PRO CA C 62.944 . 1 785 84 PRO CB C 31.386 . 1 786 84 PRO CG C 27.140 . 1 787 84 PRO CD C 50.773 . 1 788 85 LEU H H 8.307 . 1 789 85 LEU HA H 4.259 . 1 790 85 LEU HB2 H 1.513 . 2 791 85 LEU HB3 H 1.590 . 2 792 85 LEU HG H 1.604 . 1 793 85 LEU HD1 H 0.889 . 2 794 85 LEU HD2 H 0.836 . 2 795 85 LEU CA C 54.823 . 1 796 85 LEU CB C 42.212 . 1 797 85 LEU CG C 26.770 . 1 798 85 LEU CD1 C 24.730 . 2 799 85 LEU CD2 C 23.249 . 2 800 85 LEU N N 122.416 . 1 801 86 ALA H H 8.249 . 1 802 86 ALA HA H 4.291 . 1 803 86 ALA HB H 1.340 . 1 804 86 ALA CA C 51.913 . 1 805 86 ALA CB C 18.844 . 1 806 86 ALA N N 124.920 . 1 807 87 LEU H H 8.192 . 1 808 87 LEU HA H 4.243 . 1 809 87 LEU HB2 H 1.598 . 2 810 87 LEU HB3 H 1.532 . 2 811 87 LEU HG H 1.609 . 1 812 87 LEU HD1 H 0.892 . 2 813 87 LEU HD2 H 0.843 . 2 814 87 LEU CA C 54.993 . 1 815 87 LEU CB C 42.156 . 1 816 87 LEU CG C 26.770 . 1 817 87 LEU CD1 C 24.730 . 2 818 87 LEU CD2 C 23.404 . 2 819 87 LEU N N 121.500 . 1 820 88 ASP H H 8.249 . 1 821 88 ASP HA H 4.531 . 1 822 88 ASP HB2 H 2.665 . 2 823 88 ASP HB3 H 2.585 . 2 824 88 ASP CA C 53.810 . 1 825 88 ASP CB C 40.945 . 1 826 88 ASP N N 120.584 . 1 827 89 ALA H H 8.108 . 1 828 89 ALA HA H 4.252 . 1 829 89 ALA HB H 1.355 . 1 830 89 ALA CA C 52.504 . 1 831 89 ALA CB C 19.012 . 1 832 89 ALA N N 123.943 . 1 833 90 ASN H H 8.376 . 1 834 90 ASN HA H 4.671 . 1 835 90 ASN HB2 H 2.832 . 2 836 90 ASN HB3 H 2.714 . 2 837 90 ASN HD21 H 7.632 . 2 838 90 ASN HD22 H 6.890 . 2 839 90 ASN CA C 53.214 . 1 840 90 ASN CB C 38.593 . 1 841 90 ASN N N 117.470 . 1 842 90 ASN ND2 N 113.245 . 1 843 91 LYS H H 7.717 . 1 844 91 LYS HA H 4.102 . 1 845 91 LYS HB2 H 1.792 . 2 846 91 LYS HB3 H 1.687 . 2 847 91 LYS HG2 H 1.350 . 2 848 91 LYS HG3 H 1.350 . 2 849 91 LYS HD2 H 1.637 . 2 850 91 LYS HD3 H 1.636 . 2 851 91 LYS HE2 H 2.965 . 2 852 91 LYS HE3 H 2.965 . 2 853 91 LYS CA C 57.532 . 1 854 91 LYS CB C 33.330 . 1 855 91 LYS CG C 24.403 . 1 856 91 LYS CD C 28.938 . 1 857 91 LYS CE C 41.863 . 1 858 91 LYS N N 126.141 . 1 cwd: /data/PSVS/PSVS-v1.4-dev/results/HR4527E_R3Cons_em_bcr3 command to execute is: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign -c /data/PSVS/PSVS-v1.4-dev/results/HR4527E_R3Cons_em_bcr3/rpf_calc/input/ctrl_file -o rpf_calc -q HR4527E_R3Cons_em_bcr3.pdb.iupac 2>&1| ASDP Version 1.0 Copyright(C) 2010 Center for Advanced Biotechnology and Medicine (CABM) Rutgers University Reading Control_File ...  Doing SimpleMatch for cnoeabs.peaks ...   Doing SimpleMatch for nnoeabs.peaks ...   Reading ComparePdbFile: HR4527E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4527E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4527E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4527E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4527E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4527E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4527E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4527E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4527E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4527E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4527E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4527E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4527E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4527E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4527E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4527E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4527E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4527E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4527E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: HR4527E_R3Cons_em_bcr3.pdb.iupac  quality-estimation for cnoeabs.peaks ...   Doing Recall analysis for cnoeabs.peaks ...  Doing Precision analysis for cnoeabs.peaks ...  Doing Recall analysis for cnoeabs.peaks ...  Doing Precision analysis for cnoeabs.peaks ... prtSimleMatchPeakAtom for cnoeabs.peaks ...   quality-estimation for nnoeabs.peaks ...   Doing Recall analysis for nnoeabs.peaks ...  Doing Precision analysis for nnoeabs.peaks ...  Doing Recall analysis for nnoeabs.peaks ...  Doing Precision analysis for nnoeabs.peaks ... prtSimleMatchPeakAtom for nnoeabs.peaks ...