AS object created. control filepath is: /data/PSVS/PSVS-v1.4-dev/results/MBR242E_R3Cons_em_bcr3/rpf_calc/input/ctrl_file bmrb: chem_shift.bmrb sequence: MBR242E_R3Cons_em_bcr3_seq.bmrb parsing bmrb: /data/PSVS/PSVS-v1.4-dev/results/MBR242E_R3Cons_em_bcr3/rpf_calc/input/chem_shift.bmrb new residue 1 adding: *1* *1* *Met* *C* *C* *177.4* *.* *1* old residue 1 adding: *2* *1* *Met* *CA* *C* *73.5* *.* *1* old residue 1 adding: *3* *1* *Met* *CB* *C* *76.0* *.* *1* new residue 2 adding: *4* *2* *Ala* *H* *H* *8.45* *.* *1* old residue 2 adding: *5* *2* *Ala* *HA* *H* *4.39* *.* *1* old residue 2 adding: *6* *2* *Ala* *HB* *H* *1.41* *.* *1* old residue 2 adding: *7* *2* *Ala* *C* *C* *178.3* *.* *1* old residue 2 adding: *8* *2* *Ala* *CA* *C* *52.5* *.* *1* old residue 2 adding: *9* *2* *Ala* *CB* *C* *19.2* *.* *1* old residue 2 adding: *10* *2* *Ala* *N* *N* *125.1* *.* *1* new residue 3 adding: *11* *3* *Gly* *H* *H* *8.45* *.* *1* old residue 3 adding: *12* *3* *Gly* *HA2* *H* *4.03* *.* *2* old residue 3 adding: *13* *3* *Gly* *HA3* *H* *4.03* *.* *2* old residue 3 adding: *14* *3* *Gly* *C* *C* *174.1* *.* *1* old residue 3 adding: *15* *3* *Gly* *CA* *C* *45.2* *.* *1* old residue 3 adding: *16* *3* *Gly* *N* *N* *108.0* *.* *1* new residue 4 adding: *17* *4* *Gln* *H* *H* *8.55* *.* *1* old residue 4 adding: *18* *4* *Gln* *HA* *H* *4.34* *.* *1* old residue 4 adding: *19* *4* *Gln* *HB2* *H* *2.01* *.* *2* old residue 4 adding: *20* *4* *Gln* *HB3* *H* *2.11* *.* *2* old residue 4 adding: *21* *4* *Gln* *HG2* *H* *2.39* *.* *2* old residue 4 adding: *22* *4* *Gln* *HG3* *H* *2.39* *.* *2* old residue 4 adding: *23* *4* *Gln* *HE21* *H* *6.89* *.* *2* old residue 4 adding: *24* *4* *Gln* *HE22* *H* *7.60* *.* *2* old residue 4 adding: *25* *4* *Gln* *C* *C* *176.7* *.* *1* old residue 4 adding: *26* *4* *Gln* *CA* *C* *56.6* *.* *1* old residue 4 adding: *27* *4* *Gln* *CB* *C* *29.3* *.* *1* old residue 4 adding: *28* *4* *Gln* *CG* *C* *33.7* *.* *1* old residue 4 adding: *29* *4* *Gln* *N* *N* *120.5* *.* *1* old residue 4 adding: *30* *4* *Gln* *NE2* *N* *112.3* *.* *1* new residue 5 adding: *31* *5* *Ser* *H* *H* *8.54* *.* *1* old residue 5 adding: *32* *5* *Ser* *HA* *H* *4.39* *.* *1* old residue 5 adding: *33* *5* *Ser* *HB2* *H* *3.88* *.* *2* old residue 5 adding: *34* *5* *Ser* *HB3* *H* *3.94* *.* *2* old residue 5 adding: *35* *5* *Ser* *HG* *H* *5.67* *.* *1* old residue 5 adding: *36* *5* *Ser* *C* *C* *174.8* *.* *1* old residue 5 adding: *37* *5* *Ser* *CA* *C* *59.1* *.* *1* old residue 5 adding: *38* *5* *Ser* *CB* *C* *63.5* *.* *1* old residue 5 adding: *39* *5* *Ser* *N* *N* *117.1* *.* *1* new residue 6 adding: *40* *6* *Asp* *H* *H* *8.30* *.* *1* old residue 6 adding: *41* *6* *Asp* *HA* *H* *4.54* *.* *1* old residue 6 adding: *42* *6* *Asp* *HB2* *H* *2.71* *.* *2* old residue 6 adding: *43* *6* *Asp* *HB3* *H* *2.71* *.* *2* old residue 6 adding: *44* *6* *Asp* *C* *C* *177.3* *.* *1* old residue 6 adding: *45* *6* *Asp* *CA* *C* *55.1* *.* *1* old residue 6 adding: *46* *6* *Asp* *CB* *C* *40.8* *.* *1* old residue 6 adding: *47* *6* *Asp* *N* *N* *122.7* *.* *1* new residue 7 adding: *48* *7* *Arg* *H* *H* *8.27* *.* *1* old residue 7 adding: *49* *7* *Arg* *HA* *H* *4.15* *.* *1* old residue 7 adding: *50* *7* *Arg* *HB2* *H* *1.85* *.* *2* old residue 7 adding: *51* *7* *Arg* *HB3* *H* *1.97* *.* *2* old residue 7 adding: *52* *7* *Arg* *HG2* *H* *1.66* *.* *2* old residue 7 adding: *53* *7* *Arg* *HG3* *H* *1.75* *.* *2* old residue 7 adding: *54* *7* *Arg* *HD2* *H* *3.17* *.* *2* old residue 7 adding: *55* *7* *Arg* *HD3* *H* *3.17* *.* *2* old residue 7 adding: *56* *7* *Arg* *C* *C* *177.6* *.* *1* old residue 7 adding: *57* *7* *Arg* *CA* *C* *58.0* *.* *1* old residue 7 adding: *58* *7* *Arg* *CB* *C* *30.1* *.* *1* old residue 7 adding: *59* *7* *Arg* *CG* *C* *27.2* *.* *1* old residue 7 adding: *60* *7* *Arg* *CD* *C* *43.0* *.* *1* old residue 7 adding: *61* *7* *Arg* *N* *N* *122.1* *.* *1* new residue 8 adding: *62* *8* *Lys* *H* *H* *8.13* *.* *1* old residue 8 adding: *63* *8* *Lys* *HA* *H* *4.09* *.* *1* old residue 8 adding: *64* *8* *Lys* *HB2* *H* *1.87* *.* *2* old residue 8 adding: *65* *8* *Lys* *HB3* *H* *1.87* *.* *2* old residue 8 adding: *66* *8* *Lys* *HG2* *H* *1.45* *.* *2* old residue 8 adding: *67* *8* *Lys* *HG3* *H* *1.45* *.* *2* old residue 8 adding: *68* *8* *Lys* *HD2* *H* *1.70* *.* *2* old residue 8 adding: *69* *8* *Lys* *HD3* *H* *1.70* *.* *2* old residue 8 adding: *70* *8* *Lys* *HE2* *H* *2.92* *.* *2* old residue 8 adding: *71* *8* *Lys* *HE3* *H* *2.92* *.* *2* old residue 8 adding: *72* *8* *Lys* *C* *C* *177.6* *.* *1* old residue 8 adding: *73* *8* *Lys* *CA* *C* *58.4* *.* *1* old residue 8 adding: *74* *8* *Lys* *CB* *C* *31.7* *.* *1* old residue 8 adding: *75* *8* *Lys* *CG* *C* *24.7* *.* *1* old residue 8 adding: *76* *8* *Lys* *CD* *C* *28.8* *.* *1* old residue 8 adding: *77* *8* *Lys* *CE* *C* *41.8* *.* *1* old residue 8 adding: *78* *8* *Lys* *N* *N* *120.9* *.* *1* new residue 9 adding: *79* *9* *Ala* *H* *H* *8.05* *.* *1* old residue 9 adding: *80* *9* *Ala* *HA* *H* *3.95* *.* *1* old residue 9 adding: *81* *9* *Ala* *HB* *H* *1.45* *.* *1* old residue 9 adding: *82* *9* *Ala* *C* *C* *179.8* *.* *1* old residue 9 adding: *83* *9* *Ala* *CA* *C* *55.1* *.* *1* old residue 9 adding: *84* *9* *Ala* *CB* *C* *18.1* *.* *1* old residue 9 adding: *85* *9* *Ala* *N* *N* *121.6* *.* *1* new residue 10 adding: *86* *10* *Ala* *H* *H* *7.91* *.* *1* old residue 10 adding: *87* *10* *Ala* *HA* *H* *4.20* *.* *1* old residue 10 adding: *88* *10* *Ala* *HB* *H* *1.46* *.* *1* old residue 10 adding: *89* *10* *Ala* *C* *C* *180.5* *.* *1* old residue 10 adding: *90* *10* *Ala* *CA* *C* *54.6* *.* *1* old residue 10 adding: *91* *10* *Ala* *CB* *C* *18.1* *.* *1* old residue 10 adding: *92* *10* *Ala* *N* *N* *120.2* *.* *1* new residue 11 adding: *93* *11* *Leu* *H* *H* *8.08* *.* *1* old residue 11 adding: *94* *11* *Leu* *HA* *H* *4.12* *.* *1* old residue 11 adding: *95* *11* *Leu* *HB2* *H* *1.70* *.* *2* old residue 11 adding: *96* *11* *Leu* *HB3* *H* *1.88* *.* *2* old residue 11 adding: *97* *11* *Leu* *HG* *H* *1.56* *.* *1* old residue 11 adding: *98* *11* *Leu* *HD1* *H* *0.89* *.* *2* old residue 11 adding: *99* *11* *Leu* *HD2* *H* *0.93* *.* *2* old residue 11 adding: *100* *11* *Leu* *C* *C* *179.6* *.* *1* old residue 11 adding: *101* *11* *Leu* *CA* *C* *57.8* *.* *1* old residue 11 adding: *102* *11* *Leu* *CB* *C* *41.7* *.* *1* old residue 11 adding: *103* *11* *Leu* *CD1* *C* *25.1* *.* *2* old residue 11 adding: *104* *11* *Leu* *CD2* *C* *24.1* *.* *2* old residue 11 adding: *105* *11* *Leu* *N* *N* *120.9* *.* *1* new residue 12 adding: *106* *12* *Leu* *H* *H* *8.48* *.* *1* old residue 12 adding: *107* *12* *Leu* *HA* *H* *4.04* *.* *1* old residue 12 adding: *108* *12* *Leu* *HB2* *H* *1.53* *.* *2* old residue 12 adding: *109* *12* *Leu* *HB3* *H* *1.97* *.* *2* old residue 12 adding: *110* *12* *Leu* *HG* *H* *1.92* *.* *1* old residue 12 adding: *111* *12* *Leu* *HD1* *H* *0.86* *.* *1* old residue 12 adding: *112* *12* *Leu* *HD2* *H* *0.82* *.* *1* old residue 12 adding: *113* *12* *Leu* *C* *C* *178.9* *.* *1* old residue 12 adding: *114* *12* *Leu* *CA* *C* *58.1* *.* *1* old residue 12 adding: *115* *12* *Leu* *CB* *C* *40.1* *.* *1* old residue 12 adding: *116* *12* *Leu* *CG* *C* *26.9* *.* *1* old residue 12 adding: *117* *12* *Leu* *CD1* *C* *25.2* *.* *1* old residue 12 adding: *118* *12* *Leu* *CD2* *C* *21.6* *.* *1* old residue 12 adding: *119* *12* *Leu* *N* *N* *118.7* *.* *1* new residue 13 adding: *120* *13* *Asp* *H* *H* *7.99* *.* *1* old residue 13 adding: *121* *13* *Asp* *HA* *H* *4.42* *.* *1* old residue 13 adding: *122* *13* *Asp* *HB2* *H* *2.64* *.* *2* old residue 13 adding: *123* *13* *Asp* *HB3* *H* *2.84* *.* *2* old residue 13 adding: *124* *13* *Asp* *C* *C* *178.9* *.* *1* old residue 13 adding: *125* *13* *Asp* *CA* *C* *57.5* *.* *1* old residue 13 adding: *126* *13* *Asp* *CB* *C* *40.5* *.* *1* old residue 13 adding: *127* *13* *Asp* *N* *N* *119.5* *.* *1* new residue 14 adding: *128* *14* *Gln* *H* *H* *7.62* *.* *1* old residue 14 adding: *129* *14* *Gln* *HA* *H* *4.23* *.* *1* old residue 14 adding: *130* *14* *Gln* *HB2* *H* *2.37* *.* *2* old residue 14 adding: *131* *14* *Gln* *HB3* *H* *2.37* *.* *2* old residue 14 adding: *132* *14* *Gln* *HG2* *H* *2.34* *.* *2* old residue 14 adding: *133* *14* *Gln* *HG3* *H* *2.56* *.* *2* old residue 14 adding: *134* *14* *Gln* *HE21* *H* *7.39* *.* *1* old residue 14 adding: *135* *14* *Gln* *HE22* *H* *6.79* *.* *1* old residue 14 adding: *136* *14* *Gln* *C* *C* *178.4* *.* *1* old residue 14 adding: *137* *14* *Gln* *CA* *C* *58.1* *.* *1* old residue 14 adding: *138* *14* *Gln* *CB* *C* *27.8* *.* *1* old residue 14 adding: *139* *14* *Gln* *CG* *C* *33.0* *.* *1* old residue 14 adding: *140* *14* *Gln* *N* *N* *118.9* *.* *1* old residue 14 adding: *141* *14* *Gln* *NE2* *N* *111.6* *.* *1* new residue 15 adding: *142* *15* *Val* *H* *H* *8.48* *.* *1* old residue 15 adding: *143* *15* *Val* *HA* *H* *3.38* *.* *1* old residue 15 adding: *144* *15* *Val* *HB* *H* *2.32* *.* *1* old residue 15 adding: *145* *15* *Val* *HG1* *H* *0.93* *.* *1* old residue 15 adding: *146* *15* *Val* *HG2* *H* *1.01* *.* *1* old residue 15 adding: *147* *15* *Val* *C* *C* *177.6* *.* *1* old residue 15 adding: *148* *15* *Val* *CA* *C* *66.6* *.* *1* old residue 15 adding: *149* *15* *Val* *CB* *C* *30.5* *.* *1* old residue 15 adding: *150* *15* *Val* *CG1* *C* *24.0* *.* *1* old residue 15 adding: *151* *15* *Val* *CG2* *C* *23.9* *.* *1* old residue 15 adding: *152* *15* *Val* *N* *N* *121.3* *.* *1* new residue 16 adding: *153* *16* *Ala* *H* *H* *8.08* *.* *1* old residue 16 adding: *154* *16* *Ala* *HA* *H* *4.45* *.* *1* old residue 16 adding: *155* *16* *Ala* *HB* *H* *1.33* *.* *1* old residue 16 adding: *156* *16* *Ala* *C* *C* *179.1* *.* *1* old residue 16 adding: *157* *16* *Ala* *CA* *C* *54.6* *.* *1* old residue 16 adding: *158* *16* *Ala* *CB* *C* *17.7* *.* *1* old residue 16 adding: *159* *16* *Ala* *N* *N* *121.4* *.* *1* new residue 17 adding: *160* *17* *Arg* *H* *H* *7.48* *.* *1* old residue 17 adding: *161* *17* *Arg* *HA* *H* *3.91* *.* *1* old residue 17 adding: *162* *17* *Arg* *HB2* *H* *2.12* *.* *2* old residue 17 adding: *163* *17* *Arg* *HB3* *H* *2.12* *.* *2* old residue 17 adding: *164* *17* *Arg* *HG2* *H* *1.63* *.* *2* old residue 17 adding: *165* *17* *Arg* *HD2* *H* *3.27* *.* *2* old residue 17 adding: *166* *17* *Arg* *HD3* *H* *3.27* *.* *2* old residue 17 adding: *167* *17* *Arg* *C* *C* *179.7* *.* *1* old residue 17 adding: *168* *17* *Arg* *CA* *C* *59.7* *.* *1* old residue 17 adding: *169* *17* *Arg* *CB* *C* *30.4* *.* *1* old residue 17 adding: *170* *17* *Arg* *CD* *C* *44.0* *.* *1* old residue 17 adding: *171* *17* *Arg* *N* *N* *116.9* *.* *1* new residue 18 adding: *172* *18* *Val* *H* *H* *7.96* *.* *1* old residue 18 adding: *173* *18* *Val* *HA* *H* *3.69* *.* *1* old residue 18 adding: *174* *18* *Val* *HB* *H* *2.39* *.* *1* old residue 18 adding: *175* *18* *Val* *HG1* *H* *0.87* *.* *1* old residue 18 adding: *176* *18* *Val* *HG2* *H* *1.17* *.* *1* old residue 18 adding: *177* *18* *Val* *C* *C* *177.9* *.* *1* old residue 18 adding: *178* *18* *Val* *CA* *C* *66.6* *.* *1* old residue 18 adding: *179* *18* *Val* *CB* *C* *31.3* *.* *1* old residue 18 adding: *180* *18* *Val* *CG1* *C* *22.1* *.* *1* old residue 18 adding: *181* *18* *Val* *CG2* *C* *21.6* *.* *1* old residue 18 adding: *182* *18* *Val* *N* *N* *123.0* *.* *1* new residue 19 adding: *183* *19* *Gly* *H* *H* *8.27* *.* *1* old residue 19 adding: *184* *19* *Gly* *HA2* *H* *3.43* *.* *2* old residue 19 adding: *185* *19* *Gly* *HA3* *H* *3.43* *.* *2* old residue 19 adding: *186* *19* *Gly* *C* *C* *174.4* *.* *1* old residue 19 adding: *187* *19* *Gly* *CA* *C* *48.5* *.* *1* old residue 19 adding: *188* *19* *Gly* *N* *N* *105.4* *.* *1* new residue 20 adding: *189* *20* *Lys* *H* *H* *8.25* *.* *1* old residue 20 adding: *190* *20* *Lys* *HA* *H* *3.71* *.* *1* old residue 20 adding: *191* *20* *Lys* *HB2* *H* *1.85* *.* *2* old residue 20 adding: *192* *20* *Lys* *HB3* *H* *1.85* *.* *2* old residue 20 adding: *193* *20* *Lys* *HG2* *H* *1.37* *.* *2* old residue 20 adding: *194* *20* *Lys* *HG3* *H* *1.55* *.* *2* old residue 20 adding: *195* *20* *Lys* *HD2* *H* *1.68* *.* *2* old residue 20 adding: *196* *20* *Lys* *HD3* *H* *1.68* *.* *2* old residue 20 adding: *197* *20* *Lys* *HE2* *H* *2.97* *.* *2* old residue 20 adding: *198* *20* *Lys* *HE3* *H* *2.97* *.* *2* old residue 20 adding: *199* *20* *Lys* *C* *C* *179.4* *.* *1* old residue 20 adding: *200* *20* *Lys* *CA* *C* *59.3* *.* *1* old residue 20 adding: *201* *20* *Lys* *CB* *C* *32.6* *.* *1* old residue 20 adding: *202* *20* *Lys* *CG* *C* *25.7* *.* *1* old residue 20 adding: *203* *20* *Lys* *CD* *C* *29.4* *.* *1* old residue 20 adding: *204* *20* *Lys* *CE* *C* *42.4* *.* *1* old residue 20 adding: *205* *20* *Lys* *N* *N* *118.7* *.* *1* new residue 21 adding: *206* *21* *Ala* *H* *H* *7.64* *.* *1* old residue 21 adding: *207* *21* *Ala* *HA* *H* *3.79* *.* *1* old residue 21 adding: *208* *21* *Ala* *HB* *H* *1.57* *.* *1* old residue 21 adding: *209* *21* *Ala* *C* *C* *177.9* *.* *1* old residue 21 adding: *210* *21* *Ala* *CA* *C* *55.2* *.* *1* old residue 21 adding: *211* *21* *Ala* *CB* *C* *19.2* *.* *1* old residue 21 adding: *212* *21* *Ala* *N* *N* *121.7* *.* *1* new residue 22 adding: *213* *22* *Leu* *H* *H* *7.33* *.* *1* old residue 22 adding: *214* *22* *Leu* *HA* *H* *4.14* *.* *1* old residue 22 adding: *215* *22* *Leu* *HB2* *H* *1.61* *.* *2* old residue 22 adding: *216* *22* *Leu* *HB3* *H* *1.93* *.* *2* old residue 22 adding: *217* *22* *Leu* *HG* *H* *1.94* *.* *1* old residue 22 adding: *218* *22* *Leu* *HD1* *H* *0.69* *.* *1* old residue 22 adding: *219* *22* *Leu* *HD2* *H* *0.63* *.* *1* old residue 22 adding: *220* *22* *Leu* *C* *C* *176.8* *.* *1* old residue 22 adding: *221* *22* *Leu* *CA* *C* *54.6* *.* *1* old residue 22 adding: *222* *22* *Leu* *CB* *C* *42.9* *.* *1* old residue 22 adding: *223* *22* *Leu* *CG* *C* *26.0* *.* *1* old residue 22 adding: *224* *22* *Leu* *CD1* *C* *25.7* *.* *1* old residue 22 adding: *225* *22* *Leu* *CD2* *C* *22.7* *.* *1* old residue 22 adding: *226* *22* *Leu* *N* *N* *114.2* *.* *1* new residue 23 adding: *227* *23* *Ala* *H* *H* *7.16* *.* *1* old residue 23 adding: *228* *23* *Ala* *HA* *H* *4.72* *.* *1* old residue 23 adding: *229* *23* *Ala* *HB* *H* *1.34* *.* *1* old residue 23 adding: *230* *23* *Ala* *C* *C* *176.7* *.* *1* old residue 23 adding: *231* *23* *Ala* *CA* *C* *53.0* *.* *1* old residue 23 adding: *232* *23* *Ala* *CB* *C* *18.2* *.* *1* old residue 23 adding: *233* *23* *Ala* *N* *N* *118.2* *.* *1* new residue 24 adding: *234* *24* *Asn* *H* *H* *7.44* *.* *1* old residue 24 adding: *235* *24* *Asn* *HA* *H* *4.73* *.* *1* old residue 24 adding: *236* *24* *Asn* *HB2* *H* *2.32* *.* *2* old residue 24 adding: *237* *24* *Asn* *HB3* *H* *2.94* *.* *2* old residue 24 adding: *238* *24* *Asn* *HD21* *H* *7.85* *.* *1* old residue 24 adding: *239* *24* *Asn* *HD22* *H* *7.10* *.* *1* old residue 24 adding: *240* *24* *Asn* *C* *C* *174.8* *.* *1* old residue 24 adding: *241* *24* *Asn* *CA* *C* *53.5* *.* *1* old residue 24 adding: *242* *24* *Asn* *CB* *C* *41.7* *.* *1* old residue 24 adding: *243* *24* *Asn* *N* *N* *116.8* *.* *1* old residue 24 adding: *244* *24* *Asn* *ND2* *N* *113.6* *.* *1* new residue 25 adding: *245* *25* *Gly* *H* *H* *9.37* *.* *1* old residue 25 adding: *246* *25* *Gly* *HA2* *H* *3.65* *.* *2* old residue 25 adding: *247* *25* *Gly* *HA3* *H* *4.11* *.* *2* old residue 25 adding: *248* *25* *Gly* *C* *C* *175.3* *.* *1* old residue 25 adding: *249* *25* *Gly* *CA* *C* *47.6* *.* *1* old residue 25 adding: *250* *25* *Gly* *N* *N* *114.8* *.* *1* new residue 26 adding: *251* *26* *Arg* *H* *H* *8.05* *.* *1* old residue 26 adding: *252* *26* *Arg* *HA* *H* *4.15* *.* *1* old residue 26 adding: *253* *26* *Arg* *HB2* *H* *1.93* *.* *2* old residue 26 adding: *254* *26* *Arg* *HB3* *H* *1.93* *.* *2* old residue 26 adding: *255* *26* *Arg* *HG2* *H* *1.74* *.* *2* old residue 26 adding: *256* *26* *Arg* *HG3* *H* *1.74* *.* *2* old residue 26 adding: *257* *26* *Arg* *C* *C* *179.3* *.* *1* old residue 26 adding: *258* *26* *Arg* *CA* *C* *57.0* *.* *1* old residue 26 adding: *259* *26* *Arg* *CB* *C* *29.9* *.* *1* old residue 26 adding: *260* *26* *Arg* *CG* *C* *26.8* *.* *1* old residue 26 adding: *261* *26* *Arg* *CD* *C* *43.1* *.* *1* old residue 26 adding: *262* *26* *Arg* *N* *N* *120.5* *.* *1* new residue 27 adding: *263* *27* *Arg* *H* *H* *7.93* *.* *1* old residue 27 adding: *264* *27* *Arg* *HA* *H* *3.71* *.* *1* old residue 27 adding: *265* *27* *Arg* *HB2* *H* *1.84* *.* *2* old residue 27 adding: *266* *27* *Arg* *HB3* *H* *2.08* *.* *2* old residue 27 adding: *267* *27* *Arg* *HD2* *H* *3.02* *.* *2* old residue 27 adding: *268* *27* *Arg* *HD3* *H* *3.53* *.* *2* old residue 27 adding: *269* *27* *Arg* *C* *C* *178.3* *.* *1* old residue 27 adding: *270* *27* *Arg* *CA* *C* *61.0* *.* *1* old residue 27 adding: *271* *27* *Arg* *CB* *C* *30.4* *.* *1* old residue 27 adding: *272* *27* *Arg* *CD* *C* *45.2* *.* *1* old residue 27 adding: *273* *27* *Arg* *N* *N* *117.9* *.* *1* new residue 28 adding: *274* *28* *Leu* *H* *H* *7.64* *.* *1* old residue 28 adding: *275* *28* *Leu* *HA* *H* *3.95* *.* *1* old residue 28 adding: *276* *28* *Leu* *HB2* *H* *1.51* *.* *2* old residue 28 adding: *277* *28* *Leu* *HB3* *H* *2.24* *.* *2* old residue 28 adding: *278* *28* *Leu* *HG* *H* *2.07* *.* *1* old residue 28 adding: *279* *28* *Leu* *HD1* *H* *1.07* *.* *1* old residue 28 adding: *280* *28* *Leu* *HD2* *H* *0.99* *.* *1* old residue 28 adding: *281* *28* *Leu* *C* *C* *178.2* *.* *1* old residue 28 adding: *282* *28* *Leu* *CA* *C* *57.6* *.* *1* old residue 28 adding: *283* *28* *Leu* *CB* *C* *41.9* *.* *1* old residue 28 adding: *284* *28* *Leu* *CG* *C* *26.5* *.* *1* old residue 28 adding: *285* *28* *Leu* *CD1* *C* *27.6* *.* *1* old residue 28 adding: *286* *28* *Leu* *CD2* *C* *23.6* *.* *1* old residue 28 adding: *287* *28* *Leu* *N* *N* *117.6* *.* *1* new residue 29 adding: *288* *29* *Gln* *H* *H* *8.11* *.* *1* old residue 29 adding: *289* *29* *Gln* *HA* *H* *3.88* *.* *1* old residue 29 adding: *290* *29* *Gln* *HB2* *H* *2.14* *.* *2* old residue 29 adding: *291* *29* *Gln* *HB3* *H* *2.26* *.* *2* old residue 29 adding: *292* *29* *Gln* *HG2* *H* *2.58* *.* *2* old residue 29 adding: *293* *29* *Gln* *HG3* *H* *2.25* *.* *2* old residue 29 adding: *294* *29* *Gln* *HE21* *H* *7.68* *.* *1* old residue 29 adding: *295* *29* *Gln* *HE22* *H* *6.86* *.* *1* old residue 29 adding: *296* *29* *Gln* *C* *C* *179.4* *.* *1* old residue 29 adding: *297* *29* *Gln* *CA* *C* *59.1* *.* *1* old residue 29 adding: *298* *29* *Gln* *CB* *C* *28.8* *.* *1* old residue 29 adding: *299* *29* *Gln* *CG* *C* *34.4* *.* *1* old residue 29 adding: *300* *29* *Gln* *N* *N* *119.3* *.* *1* old residue 29 adding: *301* *29* *Gln* *NE2* *N* *110.7* *.* *1* new residue 30 adding: *302* *30* *Ile* *H* *H* *7.53* *.* *1* old residue 30 adding: *303* *30* *Ile* *HA* *H* *3.34* *.* *1* old residue 30 adding: *304* *30* *Ile* *HB* *H* *1.89* *.* *1* old residue 30 adding: *305* *30* *Ile* *HG12* *H* *0.60* *.* *2* old residue 30 adding: *306* *30* *Ile* *HG13* *H* *1.93* *.* *2* old residue 30 adding: *307* *30* *Ile* *HG2* *H* *0.58* *.* *1* old residue 30 adding: *308* *30* *Ile* *HD1* *H* *0.66* *.* *1* old residue 30 adding: *309* *30* *Ile* *C* *C* *176.7* *.* *1* old residue 30 adding: *310* *30* *Ile* *CA* *C* *65.9* *.* *1* old residue 30 adding: *311* *30* *Ile* *CB* *C* *37.4* *.* *1* old residue 30 adding: *312* *30* *Ile* *CG1* *C* *29.3* *.* *1* old residue 30 adding: *313* *30* *Ile* *CG2* *C* *18.0* *.* *1* old residue 30 adding: *314* *30* *Ile* *CD1* *C* *14.4* *.* *1* old residue 30 adding: *315* *30* *Ile* *N* *N* *118.6* *.* *1* new residue 31 adding: *316* *31* *Leu* *H* *H* *7.50* *.* *1* old residue 31 adding: *317* *31* *Leu* *HA* *H* *3.52* *.* *1* old residue 31 adding: *318* *31* *Leu* *HB2* *H* *0.62* *.* *2* old residue 31 adding: *319* *31* *Leu* *HB3* *H* *1.23* *.* *2* old residue 31 adding: *320* *31* *Leu* *HG* *H* *1.26* *.* *1* old residue 31 adding: *321* *31* *Leu* *HD1* *H* *0.49* *.* *2* old residue 31 adding: *322* *31* *Leu* *HD2* *H* *0.36* *.* *2* old residue 31 adding: *323* *31* *Leu* *C* *C* *177.3* *.* *1* old residue 31 adding: *324* *31* *Leu* *CA* *C* *58.1* *.* *1* old residue 31 adding: *325* *31* *Leu* *CB* *C* *41.1* *.* *1* old residue 31 adding: *326* *31* *Leu* *CG* *C* *26.2* *.* *1* old residue 31 adding: *327* *31* *Leu* *CD1* *C* *25.3* *.* *1* old residue 31 adding: *328* *31* *Leu* *CD2* *C* *23.9* *.* *1* old residue 31 adding: *329* *31* *Leu* *N* *N* *119.9* *.* *1* new residue 32 adding: *330* *32* *Asp* *H* *H* *7.95* *.* *1* old residue 32 adding: *331* *32* *Asp* *HA* *H* *4.30* *.* *1* old residue 32 adding: *332* *32* *Asp* *HB2* *H* *2.73* *.* *1* old residue 32 adding: *333* *32* *Asp* *HB3* *H* *2.73* *.* *1* old residue 32 adding: *334* *32* *Asp* *C* *C* *178.3* *.* *1* old residue 32 adding: *335* *32* *Asp* *CA* *C* *57.4* *.* *1* old residue 32 adding: *336* *32* *Asp* *CB* *C* *42.4* *.* *1* old residue 32 adding: *337* *32* *Asp* *N* *N* *116.9* *.* *1* new residue 33 adding: *338* *33* *Leu* *H* *H* *7.35* *.* *1* old residue 33 adding: *339* *33* *Leu* *HA* *H* *4.13* *.* *1* old residue 33 adding: *340* *33* *Leu* *HB2* *H* *1.69* *.* *2* old residue 33 adding: *341* *33* *Leu* *HB3* *H* *1.74* *.* *2* old residue 33 adding: *342* *33* *Leu* *HG* *H* *1.59* *.* *1* old residue 33 adding: *343* *33* *Leu* *HD1* *H* *0.83* *.* *2* old residue 33 adding: *344* *33* *Leu* *HD2* *H* *0.85* *.* *2* old residue 33 adding: *345* *33* *Leu* *C* *C* *180.0* *.* *1* old residue 33 adding: *346* *33* *Leu* *CA* *C* *57.6* *.* *1* old residue 33 adding: *347* *33* *Leu* *CB* *C* *42.3* *.* *1* old residue 33 adding: *348* *33* *Leu* *CG* *C* *27.0* *.* *1* old residue 33 adding: *349* *33* *Leu* *CD1* *C* *27.0* *.* *2* old residue 33 adding: *350* *33* *Leu* *CD2* *C* *24.6* *.* *2* old residue 33 adding: *351* *33* *Leu* *N* *N* *118.6* *.* *1* new residue 34 adding: *352* *34* *Leu* *H* *H* *8.30* *.* *1* old residue 34 adding: *353* *34* *Leu* *HA* *H* *4.49* *.* *1* old residue 34 adding: *354* *34* *Leu* *HB2* *H* *1.34* *.* *2* old residue 34 adding: *355* *34* *Leu* *HB3* *H* *1.69* *.* *2* old residue 34 adding: *356* *34* *Leu* *HG* *H* *1.84* *.* *1* old residue 34 adding: *357* *34* *Leu* *HD1* *H* *0.53* *.* *1* old residue 34 adding: *358* *34* *Leu* *HD2* *H* *0.86* *.* *1* old residue 34 adding: *359* *34* *Leu* *C* *C* *178.9* *.* *1* old residue 34 adding: *360* *34* *Leu* *CA* *C* *55.8* *.* *1* old residue 34 adding: *361* *34* *Leu* *CB* *C* *41.3* *.* *1* old residue 34 adding: *362* *34* *Leu* *CG* *C* *26.3* *.* *1* old residue 34 adding: *363* *34* *Leu* *CD1* *C* *26.8* *.* *1* old residue 34 adding: *364* *34* *Leu* *CD2* *C* *22.4* *.* *1* old residue 34 adding: *365* *34* *Leu* *N* *N* *117.8* *.* *1* new residue 35 adding: *366* *35* *Ala* *H* *H* *8.16* *.* *1* old residue 35 adding: *367* *35* *Ala* *HA* *H* *4.05* *.* *1* old residue 35 adding: *368* *35* *Ala* *HB* *H* *1.56* *.* *1* old residue 35 adding: *369* *35* *Ala* *C* *C* *179.0* *.* *1* old residue 35 adding: *370* *35* *Ala* *CA* *C* *54.9* *.* *1* old residue 35 adding: *371* *35* *Ala* *CB* *C* *17.5* *.* *1* old residue 35 adding: *372* *35* *Ala* *N* *N* *123.9* *.* *1* new residue 36 adding: *373* *36* *Gln* *H* *H* *7.60* *.* *1* old residue 36 adding: *374* *36* *Gln* *HA* *H* *4.34* *.* *1* old residue 36 adding: *375* *36* *Gln* *HB2* *H* *2.13* *.* *2* old residue 36 adding: *376* *36* *Gln* *HB3* *H* *2.38* *.* *2* old residue 36 adding: *377* *36* *Gln* *HG2* *H* *2.41* *.* *2* old residue 36 adding: *378* *36* *Gln* *HG3* *H* *2.50* *.* *2* old residue 36 adding: *379* *36* *Gln* *HE21* *H* *7.52* *.* *1* old residue 36 adding: *380* *36* *Gln* *HE22* *H* *6.88* *.* *1* old residue 36 adding: *381* *36* *Gln* *C* *C* *176.1* *.* *1* old residue 36 adding: *382* *36* *Gln* *CA* *C* *55.8* *.* *1* old residue 36 adding: *383* *36* *Gln* *CB* *C* *29.0* *.* *1* old residue 36 adding: *384* *36* *Gln* *CG* *C* *34.0* *.* *1* old residue 36 adding: *385* *36* *Gln* *N* *N* *113.3* *.* *1* old residue 36 adding: *386* *36* *Gln* *NE2* *N* *112.8* *.* *1* new residue 37 adding: *387* *37* *Gly* *H* *H* *7.55* *.* *1* old residue 37 adding: *388* *37* *Gly* *HA2* *H* *3.73* *.* *2* old residue 37 adding: *389* *37* *Gly* *HA3* *H* *4.49* *.* *2* old residue 37 adding: *390* *37* *Gly* *C* *C* *171.5* *.* *1* old residue 37 adding: *391* *37* *Gly* *CA* *C* *44.5* *.* *1* old residue 37 adding: *392* *37* *Gly* *N* *N* *108.4* *.* *1* new residue 38 adding: *393* *38* *Glu* *H* *H* *8.12* *.* *1* old residue 38 adding: *394* *38* *Glu* *HA* *H* *4.82* *.* *1* old residue 38 adding: *395* *38* *Glu* *HB2* *H* *1.91* *.* *2* old residue 38 adding: *396* *38* *Glu* *HB3* *H* *1.91* *.* *2* old residue 38 adding: *397* *38* *Glu* *HG2* *H* *2.12* *.* *2* old residue 38 adding: *398* *38* *Glu* *HG3* *H* *2.12* *.* *2* old residue 38 adding: *399* *38* *Glu* *C* *C* *177.0* *.* *1* old residue 38 adding: *400* *38* *Glu* *CA* *C* *56.4* *.* *1* old residue 38 adding: *401* *38* *Glu* *CB* *C* *31.2* *.* *1* old residue 38 adding: *402* *38* *Glu* *CG* *C* *36.8* *.* *1* old residue 38 adding: *403* *38* *Glu* *N* *N* *119.6* *.* *1* new residue 39 adding: *404* *39* *Arg* *H* *H* *8.58* *.* *1* old residue 39 adding: *405* *39* *Arg* *HA* *H* *4.97* *.* *1* old residue 39 adding: *406* *39* *Arg* *HB2* *H* *1.61* *.* *2* old residue 39 adding: *407* *39* *Arg* *HB3* *H* *1.86* *.* *2* old residue 39 adding: *408* *39* *Arg* *HG2* *H* *1.52* *.* *2* old residue 39 adding: *409* *39* *Arg* *HG3* *H* *1.88* *.* *2* old residue 39 adding: *410* *39* *Arg* *HD2* *H* *3.27* *.* *2* old residue 39 adding: *411* *39* *Arg* *HD3* *H* *2.99* *.* *2* old residue 39 adding: *412* *39* *Arg* *HE* *H* *7.26* *.* *1* old residue 39 adding: *413* *39* *Arg* *C* *C* *174.8* *.* *1* old residue 39 adding: *414* *39* *Arg* *CA* *C* *53.9* *.* *1* old residue 39 adding: *415* *39* *Arg* *CB* *C* *36.4* *.* *1* old residue 39 adding: *416* *39* *Arg* *CG* *C* *27.2* *.* *1* old residue 39 adding: *417* *39* *Arg* *CD* *C* *43.2* *.* *1* old residue 39 adding: *418* *39* *Arg* *N* *N* *121.5* *.* *1* old residue 39 adding: *419* *39* *Arg* *NE* *N* *84.4* *.* *1* new residue 40 adding: *420* *40* *Ala* *H* *H* *8.91* *.* *1* old residue 40 adding: *421* *40* *Ala* *HA* *H* *4.92* *.* *1* old residue 40 adding: *422* *40* *Ala* *HB* *H* *1.28* *.* *1* old residue 40 adding: *423* *40* *Ala* *C* *C* *179.2* *.* *1* old residue 40 adding: *424* *40* *Ala* *CA* *C* *51.1* *.* *1* old residue 40 adding: *425* *40* *Ala* *CB* *C* *19.2* *.* *1* old residue 40 adding: *426* *40* *Ala* *N* *N* *125.1* *.* *1* new residue 41 adding: *427* *41* *Val* *H* *H* *8.42* *.* *1* old residue 41 adding: *428* *41* *Val* *HA* *H* *3.43* *.* *1* old residue 41 adding: *429* *41* *Val* *HB* *H* *2.11* *.* *1* old residue 41 adding: *430* *41* *Val* *HG1* *H* *0.91* *.* *1* old residue 41 adding: *431* *41* *Val* *HG2* *H* *1.09* *.* *1* old residue 41 adding: *432* *41* *Val* *C* *C* *176.8* *.* *1* old residue 41 adding: *433* *41* *Val* *CA* *C* *67.6* *.* *1* old residue 41 adding: *434* *41* *Val* *CB* *C* *31.6* *.* *1* old residue 41 adding: *435* *41* *Val* *CG1* *C* *20.6* *.* *1* old residue 41 adding: *436* *41* *Val* *CG2* *C* *23.1* *.* *1* old residue 41 adding: *437* *41* *Val* *N* *N* *120.9* *.* *1* new residue 42 adding: *438* *42* *Glu* *H* *H* *9.64* *.* *1* old residue 42 adding: *439* *42* *Glu* *HA* *H* *3.88* *.* *1* old residue 42 adding: *440* *42* *Glu* *HB2* *H* *2.01* *.* *2* old residue 42 adding: *441* *42* *Glu* *HB3* *H* *2.01* *.* *2* old residue 42 adding: *442* *42* *Glu* *HG2* *H* *2.27* *.* *2* old residue 42 adding: *443* *42* *Glu* *HG3* *H* *2.48* *.* *2* old residue 42 adding: *444* *42* *Glu* *C* *C* *178.3* *.* *1* old residue 42 adding: *445* *42* *Glu* *CA* *C* *60.6* *.* *1* old residue 42 adding: *446* *42* *Glu* *CB* *C* *28.3* *.* *1* old residue 42 adding: *447* *42* *Glu* *CG* *C* *37.0* *.* *1* old residue 42 adding: *448* *42* *Glu* *N* *N* *119.0* *.* *1* new residue 43 adding: *449* *43* *Ala* *H* *H* *6.87* *.* *1* old residue 43 adding: *450* *43* *Ala* *HA* *H* *4.29* *.* *1* old residue 43 adding: *451* *43* *Ala* *HB* *H* *1.65* *.* *1* old residue 43 adding: *452* *43* *Ala* *C* *C* *180.7* *.* *1* old residue 43 adding: *453* *43* *Ala* *CA* *C* *54.1* *.* *1* old residue 43 adding: *454* *43* *Ala* *CB* *C* *19.1* *.* *1* old residue 43 adding: *455* *43* *Ala* *N* *N* *120.5* *.* *1* new residue 44 adding: *456* *44* *Ile* *H* *H* *7.97* *.* *1* old residue 44 adding: *457* *44* *Ile* *HA* *H* *3.47* *.* *1* old residue 44 adding: *458* *44* *Ile* *HB* *H* *2.05* *.* *1* old residue 44 adding: *459* *44* *Ile* *HG12* *H* *0.76* *.* *2* old residue 44 adding: *460* *44* *Ile* *HG13* *H* *1.78* *.* *2* old residue 44 adding: *461* *44* *Ile* *HG2* *H* *0.71* *.* *1* old residue 44 adding: *462* *44* *Ile* *HD1* *H* *0.80* *.* *1* old residue 44 adding: *463* *44* *Ile* *C* *C* *178.3* *.* *1* old residue 44 adding: *464* *44* *Ile* *CA* *C* *64.7* *.* *1* old residue 44 adding: *465* *44* *Ile* *CB* *C* *38.1* *.* *1* old residue 44 adding: *466* *44* *Ile* *CG1* *C* *29.1* *.* *1* old residue 44 adding: *467* *44* *Ile* *CG2* *C* *17.7* *.* *1* old residue 44 adding: *468* *44* *Ile* *CD1* *C* *14.7* *.* *1* old residue 44 adding: *469* *44* *Ile* *N* *N* *120.5* *.* *1* new residue 45 adding: *470* *45* *Ala* *H* *H* *8.46* *.* *1* old residue 45 adding: *471* *45* *Ala* *HA* *H* *3.72* *.* *1* old residue 45 adding: *472* *45* *Ala* *HB* *H* *1.40* *.* *1* old residue 45 adding: *473* *45* *Ala* *C* *C* *178.5* *.* *1* old residue 45 adding: *474* *45* *Ala* *CA* *C* *56.2* *.* *1* old residue 45 adding: *475* *45* *Ala* *CB* *C* *17.4* *.* *1* old residue 45 adding: *476* *45* *Ala* *N* *N* *124.5* *.* *1* new residue 46 adding: *477* *46* *Thr* *H* *H* *8.08* *.* *1* old residue 46 adding: *478* *46* *Thr* *HA* *H* *3.90* *.* *1* old residue 46 adding: *479* *46* *Thr* *HB* *H* *4.13* *.* *1* old residue 46 adding: *480* *46* *Thr* *HG2* *H* *1.25* *.* *1* old residue 46 adding: *481* *46* *Thr* *C* *C* *177.2* *.* *1* old residue 46 adding: *482* *46* *Thr* *CA* *C* *66.4* *.* *1* old residue 46 adding: *483* *46* *Thr* *CB* *C* *68.8* *.* *1* old residue 46 adding: *484* *46* *Thr* *CG2* *C* *21.7* *.* *1* old residue 46 adding: *485* *46* *Thr* *N* *N* *112.4* *.* *1* new residue 47 adding: *486* *47* *Ala* *H* *H* *7.93* *.* *1* old residue 47 adding: *487* *47* *Ala* *HA* *H* *4.20* *.* *1* old residue 47 adding: *488* *47* *Ala* *HB* *H* *1.52* *.* *1* old residue 47 adding: *489* *47* *Ala* *C* *C* *179.2* *.* *1* old residue 47 adding: *490* *47* *Ala* *CA* *C* *54.8* *.* *1* old residue 47 adding: *491* *47* *Ala* *CB* *C* *19.8* *.* *1* old residue 47 adding: *492* *47* *Ala* *N* *N* *121.4* *.* *1* new residue 48 adding: *493* *48* *Thr* *H* *H* *7.56* *.* *1* old residue 48 adding: *494* *48* *Thr* *HA* *H* *4.39* *.* *1* old residue 48 adding: *495* *48* *Thr* *HB* *H* *4.21* *.* *1* old residue 48 adding: *496* *48* *Thr* *HG2* *H* *1.11* *.* *1* old residue 48 adding: *497* *48* *Thr* *C* *C* *175.7* *.* *1* old residue 48 adding: *498* *48* *Thr* *CA* *C* *61.8* *.* *1* old residue 48 adding: *499* *48* *Thr* *CB* *C* *71.0* *.* *1* old residue 48 adding: *500* *48* *Thr* *CG2* *C* *21.7* *.* *1* old residue 48 adding: *501* *48* *Thr* *N* *N* *103.5* *.* *1* new residue 49 adding: *502* *49* *Gly* *H* *H* *7.82* *.* *1* old residue 49 adding: *503* *49* *Gly* *HA2* *H* *3.87* *.* *2* old residue 49 adding: *504* *49* *Gly* *HA3* *H* *4.10* *.* *2* old residue 49 adding: *505* *49* *Gly* *C* *C* *174.4* *.* *1* old residue 49 adding: *506* *49* *Gly* *CA* *C* *46.3* *.* *1* old residue 49 adding: *507* *49* *Gly* *N* *N* *111.1* *.* *1* new residue 50 adding: *508* *50* *Met* *H* *H* *7.93* *.* *1* old residue 50 adding: *509* *50* *Met* *HA* *H* *4.54* *.* *1* old residue 50 adding: *510* *50* *Met* *HB2* *H* *1.73* *.* *2* old residue 50 adding: *511* *50* *Met* *HB3* *H* *1.94* *.* *2* old residue 50 adding: *512* *50* *Met* *HG2* *H* *2.39* *.* *2* old residue 50 adding: *513* *50* *Met* *HG3* *H* *2.58* *.* *2* old residue 50 adding: *514* *50* *Met* *HE* *H* *1.98* *.* *1* old residue 50 adding: *515* *50* *Met* *C* *C* *174.8* *.* *1* old residue 50 adding: *516* *50* *Met* *CA* *C* *55.1* *.* *1* old residue 50 adding: *517* *50* *Met* *CB* *C* *37.2* *.* *1* old residue 50 adding: *518* *50* *Met* *CG* *C* *32.7* *.* *1* old residue 50 adding: *519* *50* *Met* *CE* *C* *17.6* *.* *1* old residue 50 adding: *520* *50* *Met* *N* *N* *119.3* *.* *1* new residue 51 adding: *521* *51* *Asn* *H* *H* *8.04* *.* *1* old residue 51 adding: *522* *51* *Asn* *HA* *H* *4.58* *.* *1* old residue 51 adding: *523* *51* *Asn* *HB2* *H* *2.69* *.* *2* old residue 51 adding: *524* *51* *Asn* *HB3* *H* *3.06* *.* *2* old residue 51 adding: *525* *51* *Asn* *C* *C* *176.1* *.* *1* old residue 51 adding: *526* *51* *Asn* *CA* *C* *52.8* *.* *1* old residue 51 adding: *527* *51* *Asn* *CB* *C* *41.1* *.* *1* old residue 51 adding: *528* *51* *Asn* *N* *N* *118.0* *.* *1* new residue 52 adding: *529* *52* *Leu* *H* *H* *8.56* *.* *1* old residue 52 adding: *530* *52* *Leu* *HA* *H* *3.76* *.* *1* old residue 52 adding: *531* *52* *Leu* *HB2* *H* *1.67* *.* *2* old residue 52 adding: *532* *52* *Leu* *HB3* *H* *1.67* *.* *2* old residue 52 adding: *533* *52* *Leu* *HG* *H* *1.68* *.* *1* old residue 52 adding: *534* *52* *Leu* *HD1* *H* *0.86* *.* *2* old residue 52 adding: *535* *52* *Leu* *HD2* *H* *0.92* *.* *2* old residue 52 adding: *536* *52* *Leu* *C* *C* *179.6* *.* *1* old residue 52 adding: *537* *52* *Leu* *CA* *C* *59.0* *.* *1* old residue 52 adding: *538* *52* *Leu* *CB* *C* *41.8* *.* *1* old residue 52 adding: *539* *52* *Leu* *CG* *C* *27.4* *.* *1* old residue 52 adding: *540* *52* *Leu* *CD1* *C* *24.5* *.* *2* old residue 52 adding: *541* *52* *Leu* *CD2* *C* *24.9* *.* *2* old residue 52 adding: *542* *52* *Leu* *N* *N* *120.6* *.* *1* new residue 53 adding: *543* *53* *Thr* *H* *H* *8.23* *.* *1* old residue 53 adding: *544* *53* *Thr* *HA* *H* *3.88* *.* *1* old residue 53 adding: *545* *53* *Thr* *HB* *H* *4.16* *.* *1* old residue 53 adding: *546* *53* *Thr* *HG2* *H* *1.21* *.* *1* old residue 53 adding: *547* *53* *Thr* *C* *C* *176.9* *.* *1* old residue 53 adding: *548* *53* *Thr* *CA* *C* *66.5* *.* *1* old residue 53 adding: *549* *53* *Thr* *CB* *C* *68.4* *.* *1* old residue 53 adding: *550* *53* *Thr* *CG2* *C* *21.7* *.* *1* old residue 53 adding: *551* *53* *Thr* *N* *N* *115.8* *.* *1* new residue 54 adding: *552* *54* *Thr* *H* *H* *8.42* *.* *1* old residue 54 adding: *553* *54* *Thr* *HA* *H* *3.88* *.* *1* old residue 54 adding: *554* *54* *Thr* *HB* *H* *3.89* *.* *1* old residue 54 adding: *555* *54* *Thr* *HG2* *H* *1.21* *.* *1* old residue 54 adding: *556* *54* *Thr* *C* *C* *177.3* *.* *1* old residue 54 adding: *557* *54* *Thr* *CA* *C* *66.6* *.* *1* old residue 54 adding: *558* *54* *Thr* *CB* *C* *66.6* *.* *1* old residue 54 adding: *559* *54* *Thr* *CG2* *C* *21.7* *.* *1* old residue 54 adding: *560* *54* *Thr* *N* *N* *122.3* *.* *1* new residue 55 adding: *561* *55* *Ala* *H* *H* *8.86* *.* *1* old residue 55 adding: *562* *55* *Ala* *HA* *H* *4.02* *.* *1* old residue 55 adding: *563* *55* *Ala* *HB* *H* *1.17* *.* *1* old residue 55 adding: *564* *55* *Ala* *C* *C* *179.0* *.* *1* old residue 55 adding: *565* *55* *Ala* *CA* *C* *56.1* *.* *1* old residue 55 adding: *566* *55* *Ala* *CB* *C* *17.0* *.* *1* old residue 55 adding: *567* *55* *Ala* *N* *N* *125.6* *.* *1* new residue 56 adding: *568* *56* *Ser* *H* *H* *8.44* *.* *1* old residue 56 adding: *569* *56* *Ser* *HA* *H* *3.92* *.* *1* old residue 56 adding: *570* *56* *Ser* *HB2* *H* *4.01* *.* *2* old residue 56 adding: *571* *56* *Ser* *HB3* *H* *4.01* *.* *2* old residue 56 adding: *572* *56* *Ser* *C* *C* *176.4* *.* *1* old residue 56 adding: *573* *56* *Ser* *CA* *C* *62.6* *.* *1* old residue 56 adding: *574* *56* *Ser* *CB* *C* *62.7* *.* *1* old residue 56 adding: *575* *56* *Ser* *N* *N* *112.7* *.* *1* new residue 57 adding: *576* *57* *Ala* *H* *H* *8.09* *.* *1* old residue 57 adding: *577* *57* *Ala* *HA* *H* *4.13* *.* *1* old residue 57 adding: *578* *57* *Ala* *HB* *H* *1.47* *.* *1* old residue 57 adding: *579* *57* *Ala* *C* *C* *181.2* *.* *1* old residue 57 adding: *580* *57* *Ala* *CA* *C* *55.2* *.* *1* old residue 57 adding: *581* *57* *Ala* *CB* *C* *17.9* *.* *1* old residue 57 adding: *582* *57* *Ala* *N* *N* *124.0* *.* *1* new residue 58 adding: *583* *58* *Asn* *H* *H* *7.97* *.* *1* old residue 58 adding: *584* *58* *Asn* *HA* *H* *4.48* *.* *1* old residue 58 adding: *585* *58* *Asn* *HB2* *H* *2.10* *.* *2* old residue 58 adding: *586* *58* *Asn* *HB3* *H* *2.63* *.* *2* old residue 58 adding: *587* *58* *Asn* *HD21* *H* *7.72* *.* *2* old residue 58 adding: *588* *58* *Asn* *HD22* *H* *6.68* *.* *2* old residue 58 adding: *589* *58* *Asn* *C* *C* *177.5* *.* *1* old residue 58 adding: *590* *58* *Asn* *CA* *C* *56.9* *.* *1* old residue 58 adding: *591* *58* *Asn* *CB* *C* *39.8* *.* *1* old residue 58 adding: *592* *58* *Asn* *N* *N* *117.6* *.* *1* old residue 58 adding: *593* *58* *Asn* *ND2* *N* *114.4* *.* *1* new residue 59 adding: *594* *59* *Leu* *H* *H* *8.53* *.* *1* old residue 59 adding: *595* *59* *Leu* *HA* *H* *3.71* *.* *1* old residue 59 adding: *596* *59* *Leu* *HB2* *H* *0.57* *.* *2* old residue 59 adding: *597* *59* *Leu* *HB3* *H* *1.64* *.* *2* old residue 59 adding: *598* *59* *Leu* *HG* *H* *1.34* *.* *1* old residue 59 adding: *599* *59* *Leu* *HD1* *H* *0.26* *.* *1* old residue 59 adding: *600* *59* *Leu* *HD2* *H* *0.22* *.* *1* old residue 59 adding: *601* *59* *Leu* *C* *C* *178.4* *.* *1* old residue 59 adding: *602* *59* *Leu* *CA* *C* *58.6* *.* *1* old residue 59 adding: *603* *59* *Leu* *CB* *C* *40.5* *.* *1* old residue 59 adding: *604* *59* *Leu* *CG* *C* *27.3* *.* *1* old residue 59 adding: *605* *59* *Leu* *CD1* *C* *25.7* *.* *1* old residue 59 adding: *606* *59* *Leu* *CD2* *C* *23.3* *.* *1* old residue 59 adding: *607* *59* *Leu* *N* *N* *122.6* *.* *1* new residue 60 adding: *608* *60* *Gln* *H* *H* *8.20* *.* *1* old residue 60 adding: *609* *60* *Gln* *HA* *H* *4.02* *.* *1* old residue 60 adding: *610* *60* *Gln* *HB2* *H* *2.16* *.* *2* old residue 60 adding: *611* *60* *Gln* *HB3* *H* *2.16* *.* *2* old residue 60 adding: *612* *60* *Gln* *HG2* *H* *2.46* *.* *2* old residue 60 adding: *613* *60* *Gln* *HG3* *H* *2.46* *.* *2* old residue 60 adding: *614* *60* *Gln* *HE21* *H* *7.34* *.* *1* old residue 60 adding: *615* *60* *Gln* *HE22* *H* *6.89* *.* *1* old residue 60 adding: *616* *60* *Gln* *C* *C* *178.7* *.* *1* old residue 60 adding: *617* *60* *Gln* *CA* *C* *58.8* *.* *1* old residue 60 adding: *618* *60* *Gln* *CB* *C* *27.7* *.* *1* old residue 60 adding: *619* *60* *Gln* *CG* *C* *33.8* *.* *1* old residue 60 adding: *620* *60* *Gln* *N* *N* *118.9* *.* *1* old residue 60 adding: *621* *60* *Gln* *NE2* *N* *112.3* *.* *1* new residue 61 adding: *622* *61* *Ala* *H* *H* *7.58* *.* *1* old residue 61 adding: *623* *61* *Ala* *HA* *H* *4.23* *.* *1* old residue 61 adding: *624* *61* *Ala* *HB* *H* *1.47* *.* *1* old residue 61 adding: *625* *61* *Ala* *C* *C* *181.3* *.* *1* old residue 61 adding: *626* *61* *Ala* *CA* *C* *55.1* *.* *1* old residue 61 adding: *627* *61* *Ala* *CB* *C* *17.6* *.* *1* old residue 61 adding: *628* *61* *Ala* *N* *N* *122.2* *.* *1* new residue 62 adding: *629* *62* *Leu* *H* *H* *7.83* *.* *1* old residue 62 adding: *630* *62* *Leu* *HA* *H* *3.98* *.* *1* old residue 62 adding: *631* *62* *Leu* *HB2* *H* *1.19* *.* *2* old residue 62 adding: *632* *62* *Leu* *HB3* *H* *2.12* *.* *2* old residue 62 adding: *633* *62* *Leu* *HG* *H* *1.72* *.* *1* old residue 62 adding: *634* *62* *Leu* *HD1* *H* *0.77* *.* *1* old residue 62 adding: *635* *62* *Leu* *HD2* *H* *0.63* *.* *1* old residue 62 adding: *636* *62* *Leu* *C* *C* *178.5* *.* *1* old residue 62 adding: *637* *62* *Leu* *CA* *C* *58.1* *.* *1* old residue 62 adding: *638* *62* *Leu* *CB* *C* *43.3* *.* *1* old residue 62 adding: *639* *62* *Leu* *CD1* *C* *25.8* *.* *1* old residue 62 adding: *640* *62* *Leu* *CD2* *C* *20.0* *.* *1* old residue 62 adding: *641* *62* *Leu* *N* *N* *119.0* *.* *1* new residue 63 adding: *642* *63* *Lys* *H* *H* *8.58* *.* *1* old residue 63 adding: *643* *63* *Lys* *HA* *H* *4.13* *.* *1* old residue 63 adding: *644* *63* *Lys* *HB2* *H* *1.75* *.* *2* old residue 63 adding: *645* *63* *Lys* *HB3* *H* *2.16* *.* *2* old residue 63 adding: *646* *63* *Lys* *HG2* *H* *1.59* *.* *2* old residue 63 adding: *647* *63* *Lys* *HG3* *H* *1.59* *.* *2* old residue 63 adding: *648* *63* *Lys* *HD2* *H* *1.82* *.* *2* old residue 63 adding: *649* *63* *Lys* *HD3* *H* *1.82* *.* *2* old residue 63 adding: *650* *63* *Lys* *HE2* *H* *3.09* *.* *2* old residue 63 adding: *651* *63* *Lys* *HE3* *H* *3.09* *.* *2* old residue 63 adding: *652* *63* *Lys* *C* *C* *180.5* *.* *1* old residue 63 adding: *653* *63* *Lys* *CA* *C* *59.7* *.* *1* old residue 63 adding: *654* *63* *Lys* *CB* *C* *32.6* *.* *1* old residue 63 adding: *655* *63* *Lys* *CG* *C* *24.8* *.* *1* old residue 63 adding: *656* *63* *Lys* *CD* *C* *29.8* *.* *1* old residue 63 adding: *657* *63* *Lys* *CE* *C* *42.2* *.* *1* old residue 63 adding: *658* *63* *Lys* *N* *N* *123.4* *.* *1* new residue 64 adding: *659* *64* *Ser* *H* *H* *8.64* *.* *1* old residue 64 adding: *660* *64* *Ser* *HA* *H* *4.30* *.* *1* old residue 64 adding: *661* *64* *Ser* *HB2* *H* *4.01* *.* *2* old residue 64 adding: *662* *64* *Ser* *HB3* *H* *4.01* *.* *2* old residue 64 adding: *663* *64* *Ser* *C* *C* *175.0* *.* *1* old residue 64 adding: *664* *64* *Ser* *CA* *C* *61.4* *.* *1* old residue 64 adding: *665* *64* *Ser* *CB* *C* *63.0* *.* *1* old residue 64 adding: *666* *64* *Ser* *N* *N* *117.7* *.* *1* new residue 65 adding: *667* *65* *Gly* *H* *H* *7.28* *.* *1* old residue 65 adding: *668* *65* *Gly* *HA2* *H* *3.24* *.* *2* old residue 65 adding: *669* *65* *Gly* *HA3* *H* *3.98* *.* *2* old residue 65 adding: *670* *65* *Gly* *C* *C* *171.3* *.* *1* old residue 65 adding: *671* *65* *Gly* *CA* *C* *45.1* *.* *1* old residue 65 adding: *672* *65* *Gly* *N* *N* *104.4* *.* *1* new residue 66 adding: *673* *66* *Gly* *H* *H* *7.73* *.* *1* old residue 66 adding: *674* *66* *Gly* *HA2* *H* *3.65* *.* *2* old residue 66 adding: *675* *66* *Gly* *HA3* *H* *3.75* *.* *2* old residue 66 adding: *676* *66* *Gly* *C* *C* *173.7* *.* *1* old residue 66 adding: *677* *66* *Gly* *CA* *C* *45.4* *.* *1* old residue 66 adding: *678* *66* *Gly* *N* *N* *104.7* *.* *1* new residue 67 adding: *679* *67* *Leu* *H* *H* *7.52* *.* *1* old residue 67 adding: *680* *67* *Leu* *HA* *H* *4.31* *.* *1* old residue 67 adding: *681* *67* *Leu* *HB2* *H* *1.60* *.* *2* old residue 67 adding: *682* *67* *Leu* *HB3* *H* *1.60* *.* *2* old residue 67 adding: *683* *67* *Leu* *HG* *H* *1.55* *.* *1* old residue 67 adding: *684* *67* *Leu* *HD1* *H* *0.70* *.* *1* old residue 67 adding: *685* *67* *Leu* *HD2* *H* *0.82* *.* *1* old residue 67 adding: *686* *67* *Leu* *C* *C* *177.7* *.* *1* old residue 67 adding: *687* *67* *Leu* *CA* *C* *55.5* *.* *1* old residue 67 adding: *688* *67* *Leu* *CB* *C* *42.4* *.* *1* old residue 67 adding: *689* *67* *Leu* *CG* *C* *27.0* *.* *1* old residue 67 adding: *690* *67* *Leu* *CD1* *C* *23.4* *.* *1* old residue 67 adding: *691* *67* *Leu* *CD2* *C* *27.1* *.* *1* old residue 67 adding: *692* *67* *Leu* *N* *N* *110.6* *.* *1* new residue 68 adding: *693* *68* *Val* *H* *H* *6.89* *.* *1* old residue 68 adding: *694* *68* *Val* *HA* *H* *5.19* *.* *1* old residue 68 adding: *695* *68* *Val* *HB* *H* *2.15* *.* *1* old residue 68 adding: *696* *68* *Val* *HG1* *H* *0.65* *.* *1* old residue 68 adding: *697* *68* *Val* *HG2* *H* *0.63* *.* *1* old residue 68 adding: *698* *68* *Val* *C* *C* *173.7* *.* *1* old residue 68 adding: *699* *68* *Val* *CA* *C* *57.4* *.* *1* old residue 68 adding: *700* *68* *Val* *CB* *C* *36.4* *.* *1* old residue 68 adding: *701* *68* *Val* *CG1* *C* *22.7* *.* *1* old residue 68 adding: *702* *68* *Val* *CG2* *C* *20.1* *.* *1* old residue 68 adding: *703* *68* *Val* *N* *N* *106.4* *.* *1* new residue 69 adding: *704* *69* *Glu* *H* *H* *8.88* *.* *1* old residue 69 adding: *705* *69* *Glu* *HA* *H* *4.66* *.* *1* old residue 69 adding: *706* *69* *Glu* *HB2* *H* *1.59* *.* *2* old residue 69 adding: *707* *69* *Glu* *HB3* *H* *1.93* *.* *2* old residue 69 adding: *708* *69* *Glu* *HG2* *H* *2.14* *.* *2* old residue 69 adding: *709* *69* *Glu* *HG3* *H* *2.21* *.* *2* old residue 69 adding: *710* *69* *Glu* *C* *C* *173.3* *.* *1* old residue 69 adding: *711* *69* *Glu* *CA* *C* *54.3* *.* *1* old residue 69 adding: *712* *69* *Glu* *CB* *C* *34.1* *.* *1* old residue 69 adding: *713* *69* *Glu* *CG* *C* *36.0* *.* *1* old residue 69 adding: *714* *69* *Glu* *N* *N* *120.4* *.* *1* new residue 70 adding: *715* *70* *Ala* *H* *H* *8.73* *.* *1* old residue 70 adding: *716* *70* *Ala* *HA* *H* *4.99* *.* *1* old residue 70 adding: *717* *70* *Ala* *HB* *H* *0.65* *.* *1* old residue 70 adding: *718* *70* *Ala* *C* *C* *176.5* *.* *1* old residue 70 adding: *719* *70* *Ala* *CA* *C* *50.0* *.* *1* old residue 70 adding: *720* *70* *Ala* *CB* *C* *22.3* *.* *1* old residue 70 adding: *721* *70* *Ala* *N* *N* *122.8* *.* *1* new residue 71 adding: *722* *71* *Arg* *H* *H* *8.67* *.* *1* old residue 71 adding: *723* *71* *Arg* *HA* *H* *4.63* *.* *1* old residue 71 adding: *724* *71* *Arg* *HB2* *H* *1.65* *.* *2* old residue 71 adding: *725* *71* *Arg* *HB3* *H* *1.70* *.* *2* old residue 71 adding: *726* *71* *Arg* *HG2* *H* *1.32* *.* *2* old residue 71 adding: *727* *71* *Arg* *HG3* *H* *1.40* *.* *2* old residue 71 adding: *728* *71* *Arg* *HD2* *H* *2.85* *.* *2* old residue 71 adding: *729* *71* *Arg* *HD3* *H* *3.16* *.* *2* old residue 71 adding: *730* *71* *Arg* *HE* *H* *8.31* *.* *1* old residue 71 adding: *731* *71* *Arg* *HH11* *H* *6.17* *.* *2* old residue 71 adding: *732* *71* *Arg* *HH12* *H* *6.17* *.* *2* old residue 71 adding: *733* *71* *Arg* *HH21* *H* *6.89* *.* *2* old residue 71 adding: *734* *71* *Arg* *HH22* *H* *6.89* *.* *2* old residue 71 adding: *735* *71* *Arg* *C* *C* *173.5* *.* *1* old residue 71 adding: *736* *71* *Arg* *CA* *C* *54.6* *.* *1* old residue 71 adding: *737* *71* *Arg* *CB* *C* *33.6* *.* *1* old residue 71 adding: *738* *71* *Arg* *CG* *C* *27.7* *.* *1* old residue 71 adding: *739* *71* *Arg* *CD* *C* *42.9* *.* *1* old residue 71 adding: *740* *71* *Arg* *CZ* *C* *159.1* *.* *1* old residue 71 adding: *741* *71* *Arg* *N* *N* *120.1* *.* *1* old residue 71 adding: *742* *71* *Arg* *NE* *N* *84.1* *.* *1* new residue 72 adding: *743* *72* *Arg* *H* *H* *8.78* *.* *1* old residue 72 adding: *744* *72* *Arg* *HA* *H* *5.10* *.* *1* old residue 72 adding: *745* *72* *Arg* *HB2* *H* *1.65* *.* *2* old residue 72 adding: *746* *72* *Arg* *HB3* *H* *1.75* *.* *2* old residue 72 adding: *747* *72* *Arg* *HG2* *H* *1.41* *.* *2* old residue 72 adding: *748* *72* *Arg* *HG3* *H* *1.49* *.* *2* old residue 72 adding: *749* *72* *Arg* *HD2* *H* *3.13* *.* *2* old residue 72 adding: *750* *72* *Arg* *HD3* *H* *3.13* *.* *2* old residue 72 adding: *751* *72* *Arg* *C* *C* *176.0* *.* *1* old residue 72 adding: *752* *72* *Arg* *CA* *C* *54.9* *.* *1* old residue 72 adding: *753* *72* *Arg* *CB* *C* *32.5* *.* *1* old residue 72 adding: *754* *72* *Arg* *CG* *C* *27.8* *.* *1* old residue 72 adding: *755* *72* *Arg* *CD* *C* *43.2* *.* *1* old residue 72 adding: *756* *72* *Arg* *N* *N* *123.6* *.* *1* new residue 73 adding: *757* *73* *Glu* *H* *H* *8.72* *.* *1* old residue 73 adding: *758* *73* *Glu* *HA* *H* *4.51* *.* *1* old residue 73 adding: *759* *73* *Glu* *HB2* *H* *1.85* *.* *2* old residue 73 adding: *760* *73* *Glu* *HB3* *H* *2.08* *.* *2* old residue 73 adding: *761* *73* *Glu* *HG2* *H* *2.16* *.* *2* old residue 73 adding: *762* *73* *Glu* *HG3* *H* *2.16* *.* *2* old residue 73 adding: *763* *73* *Glu* *C* *C* *175.9* *.* *1* old residue 73 adding: *764* *73* *Glu* *CA* *C* *55.7* *.* *1* old residue 73 adding: *765* *73* *Glu* *CB* *C* *31.8* *.* *1* old residue 73 adding: *766* *73* *Glu* *CG* *C* *36.2* *.* *1* old residue 73 adding: *767* *73* *Glu* *N* *N* *126.8* *.* *1* new residue 74 adding: *768* *74* *Gly* *H* *H* *9.19* *.* *1* old residue 74 adding: *769* *74* *Gly* *HA2* *H* *3.70* *.* *2* old residue 74 adding: *770* *74* *Gly* *HA3* *H* *4.17* *.* *2* old residue 74 adding: *771* *74* *Gly* *C* *C* *175.4* *.* *1* old residue 74 adding: *772* *74* *Gly* *CA* *C* *47.1* *.* *1* old residue 74 adding: *773* *74* *Gly* *N* *N* *118.5* *.* *1* new residue 75 adding: *774* *75* *Thr* *H* *H* *8.78* *.* *1* old residue 75 adding: *775* *75* *Thr* *HA* *H* *4.29* *.* *1* old residue 75 adding: *776* *75* *Thr* *HB* *H* *4.52* *.* *1* old residue 75 adding: *777* *75* *Thr* *HG2* *H* *1.21* *.* *1* old residue 75 adding: *778* *75* *Thr* *C* *C* *174.6* *.* *1* old residue 75 adding: *779* *75* *Thr* *CA* *C* *62.0* *.* *1* old residue 75 adding: *780* *75* *Thr* *CB* *C* *69.0* *.* *1* old residue 75 adding: *781* *75* *Thr* *CG2* *C* *21.7* *.* *1* old residue 75 adding: *782* *75* *Thr* *N* *N* *118.0* *.* *1* new residue 76 adding: *783* *76* *Arg* *H* *H* *8.03* *.* *1* old residue 76 adding: *784* *76* *Arg* *HA* *H* *4.61* *.* *1* old residue 76 adding: *785* *76* *Arg* *HB2* *H* *1.53* *.* *2* old residue 76 adding: *786* *76* *Arg* *HB3* *H* *1.93* *.* *2* old residue 76 adding: *787* *76* *Arg* *HG2* *H* *1.51* *.* *2* old residue 76 adding: *788* *76* *Arg* *HG3* *H* *1.69* *.* *2* old residue 76 adding: *789* *76* *Arg* *HD2* *H* *3.13* *.* *2* old residue 76 adding: *790* *76* *Arg* *HD3* *H* *3.13* *.* *2* old residue 76 adding: *791* *76* *Arg* *C* *C* *174.8* *.* *1* old residue 76 adding: *792* *76* *Arg* *CA* *C* *55.5* *.* *1* old residue 76 adding: *793* *76* *Arg* *CB* *C* *32.7* *.* *1* old residue 76 adding: *794* *76* *Arg* *CG* *C* *27.5* *.* *1* old residue 76 adding: *795* *76* *Arg* *CD* *C* *43.4* *.* *1* old residue 76 adding: *796* *76* *Arg* *N* *N* *122.6* *.* *1* new residue 77 adding: *797* *77* *Gln* *H* *H* *8.58* *.* *1* old residue 77 adding: *798* *77* *Gln* *HA* *H* *4.91* *.* *1* old residue 77 adding: *799* *77* *Gln* *HB2* *H* *1.82* *.* *2* old residue 77 adding: *800* *77* *Gln* *HB3* *H* *1.82* *.* *2* old residue 77 adding: *801* *77* *Gln* *HG2* *H* *1.93* *.* *2* old residue 77 adding: *802* *77* *Gln* *HG3* *H* *2.11* *.* *2* old residue 77 adding: *803* *77* *Gln* *HE21* *H* *7.21* *.* *1* old residue 77 adding: *804* *77* *Gln* *HE22* *H* *6.75* *.* *1* old residue 77 adding: *805* *77* *Gln* *C* *C* *173.9* *.* *1* old residue 77 adding: *806* *77* *Gln* *CA* *C* *54.7* *.* *1* old residue 77 adding: *807* *77* *Gln* *CB* *C* *31.8* *.* *1* old residue 77 adding: *808* *77* *Gln* *CG* *C* *34.5* *.* *1* old residue 77 adding: *809* *77* *Gln* *N* *N* *121.9* *.* *1* old residue 77 adding: *810* *77* *Gln* *NE2* *N* *111.2* *.* *1* new residue 78 adding: *811* *78* *Tyr* *H* *H* *8.89* *.* *1* old residue 78 adding: *812* *78* *Tyr* *HA* *H* *4.75* *.* *1* old residue 78 adding: *813* *78* *Tyr* *HB2* *H* *2.50* *.* *2* old residue 78 adding: *814* *78* *Tyr* *HB3* *H* *2.59* *.* *2* old residue 78 adding: *815* *78* *Tyr* *HD1* *H* *6.71* *.* *3* old residue 78 adding: *816* *78* *Tyr* *HD2* *H* *6.71* *.* *3* old residue 78 adding: *817* *78* *Tyr* *HE1* *H* *6.74* *.* *3* old residue 78 adding: *818* *78* *Tyr* *HE2* *H* *6.74* *.* *3* old residue 78 adding: *819* *78* *Tyr* *C* *C* *175.6* *.* *1* old residue 78 adding: *820* *78* *Tyr* *CA* *C* *57.0* *.* *1* old residue 78 adding: *821* *78* *Tyr* *CB* *C* *41.4* *.* *1* old residue 78 adding: *822* *78* *Tyr* *CD1* *C* *132.5* *.* *3* old residue 78 adding: *823* *78* *Tyr* *CD2* *C* *132.5* *.* *3* old residue 78 adding: *824* *78* *Tyr* *CE1* *C* *118.2* *.* *3* old residue 78 adding: *825* *78* *Tyr* *CE2* *C* *118.2* *.* *3* old residue 78 adding: *826* *78* *Tyr* *N* *N* *121.8* *.* *1* new residue 79 adding: *827* *79* *Tyr* *H* *H* *9.01* *.* *1* old residue 79 adding: *828* *79* *Tyr* *HA* *H* *5.41* *.* *1* old residue 79 adding: *829* *79* *Tyr* *HB2* *H* *2.60* *.* *2* old residue 79 adding: *830* *79* *Tyr* *HB3* *H* *2.60* *.* *2* old residue 79 adding: *831* *79* *Tyr* *HD1* *H* *6.77* *.* *3* old residue 79 adding: *832* *79* *Tyr* *HD2* *H* *6.77* *.* *3* old residue 79 adding: *833* *79* *Tyr* *HE1* *H* *6.46* *.* *3* old residue 79 adding: *834* *79* *Tyr* *HE2* *H* *6.46* *.* *3* old residue 79 adding: *835* *79* *Tyr* *C* *C* *173.1* *.* *1* old residue 79 adding: *836* *79* *Tyr* *CA* *C* *57.3* *.* *1* old residue 79 adding: *837* *79* *Tyr* *CB* *C* *43.3* *.* *1* old residue 79 adding: *838* *79* *Tyr* *CD1* *C* *132.8* *.* *3* old residue 79 adding: *839* *79* *Tyr* *CD2* *C* *132.8* *.* *3* old residue 79 adding: *840* *79* *Tyr* *CE1* *C* *118.5* *.* *3* old residue 79 adding: *841* *79* *Tyr* *CE2* *C* *118.5* *.* *3* old residue 79 adding: *842* *79* *Tyr* *N* *N* *122.5* *.* *1* new residue 80 adding: *843* *80* *Arg* *H* *H* *8.72* *.* *1* old residue 80 adding: *844* *80* *Arg* *HA* *H* *5.12* *.* *1* old residue 80 adding: *845* *80* *Arg* *HB2* *H* *1.60* *.* *2* old residue 80 adding: *846* *80* *Arg* *HB3* *H* *1.89* *.* *2* old residue 80 adding: *847* *80* *Arg* *HG2* *H* *1.19* *.* *2* old residue 80 adding: *848* *80* *Arg* *HG3* *H* *1.64* *.* *2* old residue 80 adding: *849* *80* *Arg* *HD2* *H* *2.99* *.* *2* old residue 80 adding: *850* *80* *Arg* *HD3* *H* *2.99* *.* *2* old residue 80 adding: *851* *80* *Arg* *HE* *H* *7.35* *.* *1* old residue 80 adding: *852* *80* *Arg* *C* *C* *175.5* *.* *1* old residue 80 adding: *853* *80* *Arg* *CA* *C* *53.2* *.* *1* old residue 80 adding: *854* *80* *Arg* *CB* *C* *33.9* *.* *1* old residue 80 adding: *855* *80* *Arg* *CG* *C* *25.9* *.* *1* old residue 80 adding: *856* *80* *Arg* *CD* *C* *43.7* *.* *1* old residue 80 adding: *857* *80* *Arg* *N* *N* *114.5* *.* *1* old residue 80 adding: *858* *80* *Arg* *NE* *N* *86.3* *.* *1* new residue 81 adding: *859* *81* *Ile* *H* *H* *9.30* *.* *1* old residue 81 adding: *860* *81* *Ile* *HA* *H* *4.15* *.* *1* old residue 81 adding: *861* *81* *Ile* *HB* *H* *1.70* *.* *1* old residue 81 adding: *862* *81* *Ile* *HG12* *H* *1.16* *.* *2* old residue 81 adding: *863* *81* *Ile* *HG13* *H* *1.46* *.* *2* old residue 81 adding: *864* *81* *Ile* *HG2* *H* *0.90* *.* *1* old residue 81 adding: *865* *81* *Ile* *HD1* *H* *0.75* *.* *1* old residue 81 adding: *866* *81* *Ile* *C* *C* *177.8* *.* *1* old residue 81 adding: *867* *81* *Ile* *CA* *C* *62.3* *.* *1* old residue 81 adding: *868* *81* *Ile* *CB* *C* *37.8* *.* *1* old residue 81 adding: *869* *81* *Ile* *CG1* *C* *28.9* *.* *1* old residue 81 adding: *870* *81* *Ile* *CG2* *C* *17.9* *.* *1* old residue 81 adding: *871* *81* *Ile* *CD1* *C* *12.4* *.* *1* old residue 81 adding: *872* *81* *Ile* *N* *N* *122.1* *.* *1* new residue 82 adding: *873* *82* *Ala* *H* *H* *7.93* *.* *1* old residue 82 adding: *874* *82* *Ala* *HA* *H* *3.93* *.* *1* old residue 82 adding: *875* *82* *Ala* *HB* *H* *0.97* *.* *1* old residue 82 adding: *876* *82* *Ala* *C* *C* *176.3* *.* *1* old residue 82 adding: *877* *82* *Ala* *CA* *C* *54.2* *.* *1* old residue 82 adding: *878* *82* *Ala* *CB* *C* *18.5* *.* *1* old residue 82 adding: *879* *82* *Ala* *N* *N* *127.2* *.* *1* new residue 83 adding: *880* *83* *Gly* *H* *H* *6.98* *.* *1* old residue 83 adding: *881* *83* *Gly* *HA2* *H* *4.09* *.* *2* old residue 83 adding: *882* *83* *Gly* *HA3* *H* *4.44* *.* *2* old residue 83 adding: *883* *83* *Gly* *C* *C* *173.6* *.* *1* old residue 83 adding: *884* *83* *Gly* *CA* *C* *45.2* *.* *1* old residue 83 adding: *885* *83* *Gly* *N* *N* *101.8* *.* *1* new residue 84 adding: *886* *84* *Glu* *H* *H* *8.93* *.* *1* old residue 84 adding: *887* *84* *Glu* *HA* *H* *4.12* *.* *1* old residue 84 adding: *888* *84* *Glu* *HB2* *H* *2.04* *.* *2* old residue 84 adding: *889* *84* *Glu* *HB3* *H* *2.11* *.* *2* old residue 84 adding: *890* *84* *Glu* *HG2* *H* *2.35* *.* *2* old residue 84 adding: *891* *84* *Glu* *HG3* *H* *2.35* *.* *2* old residue 84 adding: *892* *84* *Glu* *C* *C* *178.3* *.* *1* old residue 84 adding: *893* *84* *Glu* *CA* *C* *58.9* *.* *1* old residue 84 adding: *894* *84* *Glu* *CB* *C* *29.4* *.* *1* old residue 84 adding: *895* *84* *Glu* *CG* *C* *36.0* *.* *1* old residue 84 adding: *896* *84* *Glu* *N* *N* *120.3* *.* *1* new residue 85 adding: *897* *85* *Asp* *H* *H* *8.95* *.* *1* old residue 85 adding: *898* *85* *Asp* *HA* *H* *4.31* *.* *1* old residue 85 adding: *899* *85* *Asp* *HB2* *H* *2.61* *.* *2* old residue 85 adding: *900* *85* *Asp* *HB3* *H* *2.61* *.* *2* old residue 85 adding: *901* *85* *Asp* *C* *C* *178.0* *.* *1* old residue 85 adding: *902* *85* *Asp* *CA* *C* *57.1* *.* *1* old residue 85 adding: *903* *85* *Asp* *CB* *C* *38.9* *.* *1* old residue 85 adding: *904* *85* *Asp* *N* *N* *119.4* *.* *1* new residue 86 adding: *905* *86* *Val* *H* *H* *7.62* *.* *1* old residue 86 adding: *906* *86* *Val* *HA* *H* *3.48* *.* *1* old residue 86 adding: *907* *86* *Val* *HB* *H* *2.20* *.* *1* old residue 86 adding: *908* *86* *Val* *HG1* *H* *1.17* *.* *2* old residue 86 adding: *909* *86* *Val* *HG2* *H* *1.00* *.* *2* old residue 86 adding: *910* *86* *Val* *C* *C* *177.4* *.* *1* old residue 86 adding: *911* *86* *Val* *CA* *C* *66.8* *.* *1* old residue 86 adding: *912* *86* *Val* *CB* *C* *31.3* *.* *1* old residue 86 adding: *913* *86* *Val* *CG1* *C* *22.0* *.* *2* old residue 86 adding: *914* *86* *Val* *CG2* *C* *23.6* *.* *2* old residue 86 adding: *915* *86* *Val* *N* *N* *121.6* *.* *1* new residue 87 adding: *916* *87* *Ala* *H* *H* *7.52* *.* *1* old residue 87 adding: *917* *87* *Ala* *HA* *H* *4.11* *.* *1* old residue 87 adding: *918* *87* *Ala* *HB* *H* *1.59* *.* *1* old residue 87 adding: *919* *87* *Ala* *C* *C* *181.2* *.* *1* old residue 87 adding: *920* *87* *Ala* *CA* *C* *55.8* *.* *1* old residue 87 adding: *921* *87* *Ala* *CB* *C* *17.6* *.* *1* old residue 87 adding: *922* *87* *Ala* *N* *N* *122.7* *.* *1* new residue 88 adding: *923* *88* *Arg* *H* *H* *8.38* *.* *1* old residue 88 adding: *924* *88* *Arg* *HA* *H* *4.09* *.* *1* old residue 88 adding: *925* *88* *Arg* *HB2* *H* *1.85* *.* *2* old residue 88 adding: *926* *88* *Arg* *HB3* *H* *2.08* *.* *2* old residue 88 adding: *927* *88* *Arg* *HG2* *H* *1.63* *.* *2* old residue 88 adding: *928* *88* *Arg* *HG3* *H* *1.95* *.* *2* old residue 88 adding: *929* *88* *Arg* *HD2* *H* *3.26* *.* *2* old residue 88 adding: *930* *88* *Arg* *HD3* *H* *3.26* *.* *2* old residue 88 adding: *931* *88* *Arg* *HE* *H* *7.56* *.* *1* old residue 88 adding: *932* *88* *Arg* *C* *C* *179.1* *.* *1* old residue 88 adding: *933* *88* *Arg* *CA* *C* *59.6* *.* *1* old residue 88 adding: *934* *88* *Arg* *CB* *C* *30.5* *.* *1* old residue 88 adding: *935* *88* *Arg* *CG* *C* *28.5* *.* *1* old residue 88 adding: *936* *88* *Arg* *CD* *C* *43.6* *.* *1* old residue 88 adding: *937* *88* *Arg* *N* *N* *119.2* *.* *1* old residue 88 adding: *938* *88* *Arg* *NE* *N* *84.4* *.* *1* new residue 89 adding: *939* *89* *Leu* *H* *H* *8.48* *.* *1* old residue 89 adding: *940* *89* *Leu* *HA* *H* *4.04* *.* *1* old residue 89 adding: *941* *89* *Leu* *HB2* *H* *1.55* *.* *2* old residue 89 adding: *942* *89* *Leu* *HB3* *H* *1.55* *.* *2* old residue 89 adding: *943* *89* *Leu* *HD1* *H* *0.84* *.* *1* old residue 89 adding: *944* *89* *Leu* *HD2* *H* *0.89* *.* *1* old residue 89 adding: *945* *89* *Leu* *C* *C* *177.2* *.* *1* old residue 89 adding: *946* *89* *Leu* *CA* *C* *58.3* *.* *1* old residue 89 adding: *947* *89* *Leu* *CB* *C* *41.3* *.* *1* old residue 89 adding: *948* *89* *Leu* *CD1* *C* *24.7* *.* *1* old residue 89 adding: *949* *89* *Leu* *CD2* *C* *27.0* *.* *1* old residue 89 adding: *950* *89* *Leu* *N* *N* *123.3* *.* *1* new residue 90 adding: *951* *90* *Phe* *H* *H* *8.89* *.* *1* old residue 90 adding: *952* *90* *Phe* *HA* *H* *4.38* *.* *1* old residue 90 adding: *953* *90* *Phe* *HB2* *H* *3.07* *.* *2* old residue 90 adding: *954* *90* *Phe* *HB3* *H* *3.19* *.* *2* old residue 90 adding: *955* *90* *Phe* *HD1* *H* *7.13* *.* *3* old residue 90 adding: *956* *90* *Phe* *HD2* *H* *7.13* *.* *3* old residue 90 adding: *957* *90* *Phe* *HE1* *H* *7.25* *.* *3* old residue 90 adding: *958* *90* *Phe* *HE2* *H* *7.25* *.* *3* old residue 90 adding: *959* *90* *Phe* *HZ* *H* *7.11* *.* *1* old residue 90 adding: *960* *90* *Phe* *C* *C* *177.5* *.* *1* old residue 90 adding: *961* *90* *Phe* *CA* *C* *59.4* *.* *1* old residue 90 adding: *962* *90* *Phe* *CB* *C* *38.6* *.* *1* old residue 90 adding: *963* *90* *Phe* *CD1* *C* *131.0* *.* *3* old residue 90 adding: *964* *90* *Phe* *CD2* *C* *131.0* *.* *3* old residue 90 adding: *965* *90* *Phe* *CE1* *C* *131.1* *.* *3* old residue 90 adding: *966* *90* *Phe* *CE2* *C* *131.1* *.* *3* old residue 90 adding: *967* *90* *Phe* *CZ* *C* *130.0* *.* *1* old residue 90 adding: *968* *90* *Phe* *N* *N* *119.4* *.* *1* new residue 91 adding: *969* *91* *Ala* *H* *H* *7.92* *.* *1* old residue 91 adding: *970* *91* *Ala* *HA* *H* *3.94* *.* *1* old residue 91 adding: *971* *91* *Ala* *HB* *H* *1.46* *.* *1* old residue 91 adding: *972* *91* *Ala* *C* *C* *180.2* *.* *1* old residue 91 adding: *973* *91* *Ala* *CA* *C* *55.1* *.* *1* old residue 91 adding: *974* *91* *Ala* *CB* *C* *18.0* *.* *1* old residue 91 adding: *975* *91* *Ala* *N* *N* *120.5* *.* *1* new residue 92 adding: *976* *92* *Leu* *H* *H* *8.19* *.* *1* old residue 92 adding: *977* *92* *Leu* *HA* *H* *4.30* *.* *1* old residue 92 adding: *978* *92* *Leu* *HB2* *H* *1.67* *.* *2* old residue 92 adding: *979* *92* *Leu* *HB3* *H* *1.82* *.* *2* old residue 92 adding: *980* *92* *Leu* *HG* *H* *1.54* *.* *1* old residue 92 adding: *981* *92* *Leu* *HD1* *H* *0.97* *.* *1* old residue 92 adding: *982* *92* *Leu* *HD2* *H* *0.89* *.* *1* old residue 92 adding: *983* *92* *Leu* *C* *C* *178.9* *.* *1* old residue 92 adding: *984* *92* *Leu* *CA* *C* *57.5* *.* *1* old residue 92 adding: *985* *92* *Leu* *CB* *C* *42.1* *.* *1* old residue 92 adding: *986* *92* *Leu* *CG* *C* *27.4* *.* *1* old residue 92 adding: *987* *92* *Leu* *CD1* *C* *22.8* *.* *1* old residue 92 adding: *988* *92* *Leu* *CD2* *C* *25.8* *.* *1* old residue 92 adding: *989* *92* *Leu* *N* *N* *120.2* *.* *1* new residue 93 adding: *990* *93* *Val* *H* *H* *8.89* *.* *1* old residue 93 adding: *991* *93* *Val* *HA* *H* *3.81* *.* *1* old residue 93 adding: *992* *93* *Val* *HB* *H* *2.12* *.* *1* old residue 93 adding: *993* *93* *Val* *HG1* *H* *1.09* *.* *2* old residue 93 adding: *994* *93* *Val* *HG2* *H* *0.98* *.* *2* old residue 93 adding: *995* *93* *Val* *C* *C* *176.9* *.* *1* old residue 93 adding: *996* *93* *Val* *CA* *C* *66.0* *.* *1* old residue 93 adding: *997* *93* *Val* *CB* *C* *31.2* *.* *1* old residue 93 adding: *998* *93* *Val* *CG1* *C* *22.5* *.* *2* old residue 93 adding: *999* *93* *Val* *CG2* *C* *23.2* *.* *2* old residue 93 adding: *1000* *93* *Val* *N* *N* *117.1* *.* *1* new residue 94 adding: *1001* *94* *Gln* *H* *H* *6.92* *.* *1* old residue 94 adding: *1002* *94* *Gln* *HA* *H* *3.79* *.* *1* old residue 94 adding: *1003* *94* *Gln* *HB2* *H* *2.00* *.* *2* old residue 94 adding: *1004* *94* *Gln* *HB3* *H* *2.10* *.* *2* old residue 94 adding: *1005* *94* *Gln* *HG2* *H* *1.63* *.* *2* old residue 94 adding: *1006* *94* *Gln* *HG3* *H* *2.12* *.* *2* old residue 94 adding: *1007* *94* *Gln* *HE21* *H* *5.37* *.* *2* old residue 94 adding: *1008* *94* *Gln* *HE22* *H* *6.38* *.* *2* old residue 94 adding: *1009* *94* *Gln* *C* *C* *177.4* *.* *1* old residue 94 adding: *1010* *94* *Gln* *CA* *C* *60.0* *.* *1* old residue 94 adding: *1011* *94* *Gln* *CB* *C* *30.3* *.* *1* old residue 94 adding: *1012* *94* *Gln* *CG* *C* *35.9* *.* *1* old residue 94 adding: *1013* *94* *Gln* *N* *N* *117.8* *.* *1* old residue 94 adding: *1014* *94* *Gln* *NE2* *N* *111.3* *.* *1* new residue 95 adding: *1015* *95* *Val* *H* *H* *7.42* *.* *1* old residue 95 adding: *1016* *95* *Val* *HA* *H* *3.76* *.* *1* old residue 95 adding: *1017* *95* *Val* *HB* *H* *2.37* *.* *1* old residue 95 adding: *1018* *95* *Val* *HG1* *H* *0.96* *.* *1* old residue 95 adding: *1019* *95* *Val* *HG2* *H* *1.08* *.* *1* old residue 95 adding: *1020* *95* *Val* *C* *C* *178.3* *.* *1* old residue 95 adding: *1021* *95* *Val* *CA* *C* *66.6* *.* *1* old residue 95 adding: *1022* *95* *Val* *CB* *C* *31.9* *.* *1* old residue 95 adding: *1023* *95* *Val* *CG1* *C* *21.0* *.* *1* old residue 95 adding: *1024* *95* *Val* *CG2* *C* *22.6* *.* *1* old residue 95 adding: *1025* *95* *Val* *N* *N* *121.5* *.* *1* new residue 96 adding: *1026* *96* *Val* *H* *H* *8.34* *.* *1* old residue 96 adding: *1027* *96* *Val* *HA* *H* *3.81* *.* *1* old residue 96 adding: *1028* *96* *Val* *HB* *H* *2.09* *.* *1* old residue 96 adding: *1029* *96* *Val* *HG1* *H* *0.84* *.* *1* old residue 96 adding: *1030* *96* *Val* *HG2* *H* *0.99* *.* *1* old residue 96 adding: *1031* *96* *Val* *C* *C* *178.4* *.* *1* old residue 96 adding: *1032* *96* *Val* *CA* *C* *66.1* *.* *1* old residue 96 adding: *1033* *96* *Val* *CB* *C* *32.2* *.* *1* old residue 96 adding: *1034* *96* *Val* *CG1* *C* *21.5* *.* *1* old residue 96 adding: *1035* *96* *Val* *CG2* *C* *23.6* *.* *1* old residue 96 adding: *1036* *96* *Val* *N* *N* *120.0* *.* *1* new residue 97 adding: *1037* *97* *Ala* *H* *H* *8.14* *.* *1* old residue 97 adding: *1038* *97* *Ala* *HA* *H* *4.01* *.* *1* old residue 97 adding: *1039* *97* *Ala* *HB* *H* *1.46* *.* *1* old residue 97 adding: *1040* *97* *Ala* *C* *C* *178.8* *.* *1* old residue 97 adding: *1041* *97* *Ala* *CA* *C* *54.9* *.* *1* old residue 97 adding: *1042* *97* *Ala* *CB* *C* *19.9* *.* *1* old residue 97 adding: *1043* *97* *Ala* *N* *N* *121.4* *.* *1* new residue 98 adding: *1044* *98* *Asp* *H* *H* *8.17* *.* *1* old residue 98 adding: *1045* *98* *Asp* *HA* *H* *4.32* *.* *1* old residue 98 adding: *1046* *98* *Asp* *HB2* *H* *2.73* *.* *2* old residue 98 adding: *1047* *98* *Asp* *HB3* *H* *2.82* *.* *2* old residue 98 adding: *1048* *98* *Asp* *C* *C* *178.1* *.* *1* old residue 98 adding: *1049* *98* *Asp* *CA* *C* *57.1* *.* *1* old residue 98 adding: *1050* *98* *Asp* *CB* *C* *41.8* *.* *1* old residue 98 adding: *1051* *98* *Asp* *N* *N* *118.5* *.* *1* new residue 99 adding: *1052* *99* *Glu* *H* *H* *8.22* *.* *1* old residue 99 adding: *1053* *99* *Glu* *HA* *H* *4.00* *.* *1* old residue 99 adding: *1054* *99* *Glu* *HB2* *H* *1.77* *.* *2* old residue 99 adding: *1055* *99* *Glu* *HB3* *H* *2.00* *.* *2* old residue 99 adding: *1056* *99* *Glu* *HG2* *H* *2.00* *.* *2* old residue 99 adding: *1057* *99* *Glu* *HG3* *H* *2.23* *.* *2* old residue 99 adding: *1058* *99* *Glu* *C* *C* *178.3* *.* *1* old residue 99 adding: *1059* *99* *Glu* *CA* *C* *58.3* *.* *1* old residue 99 adding: *1060* *99* *Glu* *CB* *C* *29.8* *.* *1* old residue 99 adding: *1061* *99* *Glu* *CG* *C* *35.4* *.* *1* old residue 99 adding: *1062* *99* *Glu* *N* *N* *116.6* *.* *1* new residue 100 adding: *1063* *100* *His* *H* *H* *7.98* *.* *1* old residue 100 adding: *1064* *100* *His* *HA* *H* *4.60* *.* *1* old residue 100 adding: *1065* *100* *His* *HB2* *H* *3.14* *.* *2* old residue 100 adding: *1066* *100* *His* *HB3* *H* *3.42* *.* *2* old residue 100 adding: *1067* *100* *His* *HD2* *H* *7.16* *.* *1* old residue 100 adding: *1068* *100* *His* *C* *C* *175.9* *.* *1* old residue 100 adding: *1069* *100* *His* *CA* *C* *57.5* *.* *1* old residue 100 adding: *1070* *100* *His* *CB* *C* *30.8* *.* *1* old residue 100 adding: *1071* *100* *His* *CD2* *C* *121.1* *.* *1* old residue 100 adding: *1072* *100* *His* *N* *N* *114.0* *.* *1* new residue 101 adding: *1073* *101* *Leu* *H* *H* *7.92* *.* *1* old residue 101 adding: *1074* *101* *Leu* *HA* *H* *4.37* *.* *1* old residue 101 adding: *1075* *101* *Leu* *HB2* *H* *1.40* *.* *2* old residue 101 adding: *1076* *101* *Leu* *HB3* *H* *1.99* *.* *2* old residue 101 adding: *1077* *101* *Leu* *HG* *H* *1.67* *.* *1* old residue 101 adding: *1078* *101* *Leu* *HD1* *H* *0.87* *.* *1* old residue 101 adding: *1079* *101* *Leu* *HD2* *H* *0.80* *.* *1* old residue 101 adding: *1080* *101* *Leu* *C* *C* *177.7* *.* *1* old residue 101 adding: *1081* *101* *Leu* *CA* *C* *55.9* *.* *1* old residue 101 adding: *1082* *101* *Leu* *CB* *C* *42.1* *.* *1* old residue 101 adding: *1083* *101* *Leu* *CG* *C* *27.3* *.* *1* old residue 101 adding: *1084* *101* *Leu* *CD1* *C* *26.3* *.* *1* old residue 101 adding: *1085* *101* *Leu* *CD2* *C* *22.8* *.* *1* old residue 101 adding: *1086* *101* *Leu* *N* *N* *118.5* *.* *1* new residue 102 adding: *1087* *102* *Glu* *H* *H* *8.10* *.* *1* old residue 102 adding: *1088* *102* *Glu* *HA* *H* *4.16* *.* *1* old residue 102 adding: *1089* *102* *Glu* *HB2* *H* *1.94* *.* *2* old residue 102 adding: *1090* *102* *Glu* *HB3* *H* *1.94* *.* *2* old residue 102 adding: *1091* *102* *Glu* *HG2* *H* *2.14* *.* *2* old residue 102 adding: *1092* *102* *Glu* *HG3* *H* *2.14* *.* *2* old residue 102 adding: *1093* *102* *Glu* *C* *C* *176.7* *.* *1* old residue 102 adding: *1094* *102* *Glu* *CA* *C* *57.0* *.* *1* old residue 102 adding: *1095* *102* *Glu* *CB* *C* *29.9* *.* *1* old residue 102 adding: *1096* *102* *Glu* *CG* *C* *35.9* *.* *1* old residue 102 adding: *1097* *102* *Glu* *N* *N* *119.1* *.* *1* new residue 103 adding: *1098* *103* *His* *H* *H* *8.01* *.* *1* old residue 103 adding: *1099* *103* *His* *HA* *H* *4.52* *.* *1* old residue 103 adding: *1100* *103* *His* *HB2* *H* *3.03* *.* *2* old residue 103 adding: *1101* *103* *His* *HB3* *H* *3.03* *.* *2* old residue 103 adding: *1102* *103* *His* *CA* *C* *56.1* *.* *1* old residue 103 adding: *1103* *103* *His* *CB* *C* *29.7* *.* *1* old residue 103 adding: *1104* *103* *His* *N* *N* *117.3* *.* *1* new residue 107 adding: *1105* *107* *His* *HA* *H* *4.56* *.* *1* old residue 107 adding: *1106* *107* *His* *HB2* *H* *3.03* *.* *2* old residue 107 adding: *1107* *107* *His* *HB3* *H* *3.17* *.* *2* old residue 107 adding: *1108* *107* *His* *C* *C* *173.9* *.* *1* old residue 107 adding: *1109* *107* *His* *CA* *C* *55.9* *.* *1* old residue 107 adding: *1110* *107* *His* *CB* *C* *30.2* *.* *1* new residue 108 adding: *1111* *108* *His* *H* *H* *8.10* *.* *1* old residue 108 adding: *1112* *108* *His* *HA* *H* *4.41* *.* *1* old residue 108 adding: *1113* *108* *His* *HB2* *H* *3.04* *.* *2* old residue 108 adding: *1114* *108* *His* *HB3* *H* *3.04* *.* *2* old residue 108 adding: *1115* *108* *His* *CA* *C* *57.3* *.* *1* old residue 108 adding: *1116* *108* *His* *CB* *C* *30.4* *.* *1* old residue 108 adding: *1117* *108* *His* *N* *N* *125.4* *.* *1* seqcode size is : 105 seqcode: 33 shift counts are : 14 seqcode: 32 shift counts are : 8 seqcode: 90 shift counts are : 18 seqcode: 63 shift counts are : 17 seqcode: 21 shift counts are : 7 seqcode: 71 shift counts are : 21 seqcode: 102 shift counts are : 11 seqcode: 7 shift counts are : 14 seqcode: 80 shift counts are : 16 seqcode: 26 shift counts are : 12 seqcode: 99 shift counts are : 11 seqcode: 18 shift counts are : 11 seqcode: 72 shift counts are : 14 seqcode: 16 shift counts are : 7 seqcode: 44 shift counts are : 14 seqcode: 55 shift counts are : 7 seqcode: 74 shift counts are : 6 seqcode: 27 shift counts are : 11 seqcode: 84 shift counts are : 11 seqcode: 95 shift counts are : 11 seqcode: 57 shift counts are : 7 seqcode: 61 shift counts are : 7 seqcode: 108 shift counts are : 7 seqcode: 20 shift counts are : 17 seqcode: 92 shift counts are : 14 seqcode: 103 shift counts are : 7 seqcode: 89 shift counts are : 12 seqcode: 10 shift counts are : 7 seqcode: 31 shift counts are : 14 seqcode: 35 shift counts are : 7 seqcode: 11 shift counts are : 13 seqcode: 91 shift counts are : 7 seqcode: 78 shift counts are : 16 seqcode: 107 shift counts are : 6 seqcode: 48 shift counts are : 9 seqcode: 87 shift counts are : 7 seqcode: 93 shift counts are : 11 seqcode: 77 shift counts are : 14 seqcode: 65 shift counts are : 6 seqcode: 29 shift counts are : 14 seqcode: 50 shift counts are : 13 seqcode: 39 shift counts are : 16 seqcode: 64 shift counts are : 8 seqcode: 97 shift counts are : 7 seqcode: 58 shift counts are : 11 seqcode: 41 shift counts are : 11 seqcode: 12 shift counts are : 14 seqcode: 15 shift counts are : 11 seqcode: 81 shift counts are : 14 seqcode: 52 shift counts are : 14 seqcode: 60 shift counts are : 14 seqcode: 56 shift counts are : 8 seqcode: 101 shift counts are : 14 seqcode: 73 shift counts are : 11 seqcode: 66 shift counts are : 6 seqcode: 45 shift counts are : 7 seqcode: 86 shift counts are : 11 seqcode: 76 shift counts are : 14 seqcode: 19 shift counts are : 6 seqcode: 62 shift counts are : 13 seqcode: 54 shift counts are : 9 seqcode: 67 shift counts are : 14 seqcode: 70 shift counts are : 7 seqcode: 68 shift counts are : 11 seqcode: 2 shift counts are : 7 seqcode: 17 shift counts are : 12 seqcode: 1 shift counts are : 3 seqcode: 88 shift counts are : 16 seqcode: 30 shift counts are : 14 seqcode: 100 shift counts are : 10 seqcode: 82 shift counts are : 7 seqcode: 25 shift counts are : 6 seqcode: 28 shift counts are : 14 seqcode: 83 shift counts are : 6 seqcode: 75 shift counts are : 9 seqcode: 40 shift counts are : 7 seqcode: 14 shift counts are : 14 seqcode: 69 shift counts are : 11 seqcode: 59 shift counts are : 14 seqcode: 49 shift counts are : 6 seqcode: 24 shift counts are : 11 seqcode: 53 shift counts are : 9 seqcode: 79 shift counts are : 16 seqcode: 22 shift counts are : 14 seqcode: 42 shift counts are : 11 seqcode: 46 shift counts are : 9 seqcode: 23 shift counts are : 7 seqcode: 13 shift counts are : 8 seqcode: 96 shift counts are : 11 seqcode: 6 shift counts are : 8 seqcode: 85 shift counts are : 8 seqcode: 3 shift counts are : 6 seqcode: 36 shift counts are : 14 seqcode: 94 shift counts are : 14 seqcode: 9 shift counts are : 7 seqcode: 51 shift counts are : 8 seqcode: 47 shift counts are : 7 seqcode: 8 shift counts are : 17 seqcode: 38 shift counts are : 11 seqcode: 98 shift counts are : 8 seqcode: 4 shift counts are : 14 seqcode: 34 shift counts are : 14 seqcode: 37 shift counts are : 6 seqcode: 43 shift counts are : 7 seqcode: 5 shift counts are : 9 setting ambig code at 350 for HD2 to 2 setting ambig code at 349 for HD1 to 2 setting ambig code at 181 for HG2 to 2 setting ambig code at 180 for HG1 to 2 setting ambig code at 1024 for HG2 to 2 setting ambig code at 1023 for HG1 to 2 setting ambig code at 988 for HD2 to 2 setting ambig code at 987 for HD1 to 2 setting ambig code at 949 for HD2 to 2 setting ambig code at 948 for HD1 to 2 setting ambig code at 328 for HD2 to 2 setting ambig code at 327 for HD1 to 2 setting ambig code at 104 for HD2 to 2 setting ambig code at 103 for HD1 to 2 setting ambig code at 999 for HG2 to 2 setting ambig code at 998 for HG1 to 2 setting ambig code at 436 for HG2 to 2 setting ambig code at 435 for HG1 to 2 setting ambig code at 118 for HD2 to 2 setting ambig code at 117 for HD1 to 2 setting ambig code at 151 for HG2 to 2 setting ambig code at 150 for HG1 to 2 setting ambig code at 541 for HD2 to 2 setting ambig code at 540 for HD1 to 2 setting ambig code at 1085 for HD2 to 2 setting ambig code at 1084 for HD1 to 2 setting ambig code at 914 for HG2 to 2 setting ambig code at 913 for HG1 to 2 setting ambig code at 640 for HD2 to 2 setting ambig code at 639 for HD1 to 2 setting ambig code at 691 for HD2 to 2 setting ambig code at 690 for HD1 to 2 setting ambig code at 702 for HG2 to 2 setting ambig code at 701 for HG1 to 2 setting ambig code at 286 for HD2 to 2 setting ambig code at 285 for HD1 to 2 setting ambig code at 606 for HD2 to 2 setting ambig code at 605 for HD1 to 2 setting ambig code at 225 for HD2 to 2 setting ambig code at 224 for HD1 to 2 setting ambig code at 1035 for HG2 to 2 setting ambig code at 1034 for HG1 to 2 setting ambig code at 364 for HD2 to 2 setting ambig code at 363 for HD1 to 2 1 1 MET C C 177.4 . 1 2 1 MET CA C 73.5 . 1 3 1 MET CB C 76.0 . 1 4 2 ALA H H 8.45 . 1 5 2 ALA HA H 4.39 . 1 6 2 ALA HB H 1.41 . 1 7 2 ALA C C 178.3 . 1 8 2 ALA CA C 52.5 . 1 9 2 ALA CB C 19.2 . 1 10 2 ALA N N 125.1 . 1 11 3 GLY H H 8.45 . 1 12 3 GLY HA2 H 4.03 . 2 13 3 GLY HA3 H 4.03 . 2 14 3 GLY C C 174.1 . 1 15 3 GLY CA C 45.2 . 1 16 3 GLY N N 108.0 . 1 17 4 GLN H H 8.55 . 1 18 4 GLN HA H 4.34 . 1 19 4 GLN HB2 H 2.01 . 2 20 4 GLN HB3 H 2.11 . 2 21 4 GLN HG2 H 2.39 . 2 22 4 GLN HG3 H 2.39 . 2 23 4 GLN HE21 H 6.89 . 2 24 4 GLN HE22 H 7.60 . 2 25 4 GLN C C 176.7 . 1 26 4 GLN CA C 56.6 . 1 27 4 GLN CB C 29.3 . 1 28 4 GLN CG C 33.7 . 1 29 4 GLN N N 120.5 . 1 30 4 GLN NE2 N 112.3 . 1 31 5 SER H H 8.54 . 1 32 5 SER HA H 4.39 . 1 33 5 SER HB2 H 3.88 . 2 34 5 SER HB3 H 3.94 . 2 35 5 SER HG H 5.67 . 1 36 5 SER C C 174.8 . 1 37 5 SER CA C 59.1 . 1 38 5 SER CB C 63.5 . 1 39 5 SER N N 117.1 . 1 40 6 ASP H H 8.30 . 1 41 6 ASP HA H 4.54 . 1 42 6 ASP HB2 H 2.71 . 2 43 6 ASP HB3 H 2.71 . 2 44 6 ASP C C 177.3 . 1 45 6 ASP CA C 55.1 . 1 46 6 ASP CB C 40.8 . 1 47 6 ASP N N 122.7 . 1 48 7 ARG H H 8.27 . 1 49 7 ARG HA H 4.15 . 1 50 7 ARG HB2 H 1.85 . 2 51 7 ARG HB3 H 1.97 . 2 52 7 ARG HG2 H 1.66 . 2 53 7 ARG HG3 H 1.75 . 2 54 7 ARG HD2 H 3.17 . 2 55 7 ARG HD3 H 3.17 . 2 56 7 ARG C C 177.6 . 1 57 7 ARG CA C 58.0 . 1 58 7 ARG CB C 30.1 . 1 59 7 ARG CG C 27.2 . 1 60 7 ARG CD C 43.0 . 1 61 7 ARG N N 122.1 . 1 62 8 LYS H H 8.13 . 1 63 8 LYS HA H 4.09 . 1 64 8 LYS HB2 H 1.87 . 2 65 8 LYS HB3 H 1.87 . 2 66 8 LYS HG2 H 1.45 . 2 67 8 LYS HG3 H 1.45 . 2 68 8 LYS HD2 H 1.70 . 2 69 8 LYS HD3 H 1.70 . 2 70 8 LYS HE2 H 2.92 . 2 71 8 LYS HE3 H 2.92 . 2 72 8 LYS C C 177.6 . 1 73 8 LYS CA C 58.4 . 1 74 8 LYS CB C 31.7 . 1 75 8 LYS CG C 24.7 . 1 76 8 LYS CD C 28.8 . 1 77 8 LYS CE C 41.8 . 1 78 8 LYS N N 120.9 . 1 79 9 ALA H H 8.05 . 1 80 9 ALA HA H 3.95 . 1 81 9 ALA HB H 1.45 . 1 82 9 ALA C C 179.8 . 1 83 9 ALA CA C 55.1 . 1 84 9 ALA CB C 18.1 . 1 85 9 ALA N N 121.6 . 1 86 10 ALA H H 7.91 . 1 87 10 ALA HA H 4.20 . 1 88 10 ALA HB H 1.46 . 1 89 10 ALA C C 180.5 . 1 90 10 ALA CA C 54.6 . 1 91 10 ALA CB C 18.1 . 1 92 10 ALA N N 120.2 . 1 93 11 LEU H H 8.08 . 1 94 11 LEU HA H 4.12 . 1 95 11 LEU HB2 H 1.70 . 2 96 11 LEU HB3 H 1.88 . 2 97 11 LEU HG H 1.56 . 1 98 11 LEU HD1 H 0.89 . 2 99 11 LEU HD2 H 0.93 . 2 100 11 LEU C C 179.6 . 1 101 11 LEU CA C 57.8 . 1 102 11 LEU CB C 41.7 . 1 103 11 LEU CD1 C 25.1 . 2 104 11 LEU CD2 C 24.1 . 2 105 11 LEU N N 120.9 . 1 106 12 LEU H H 8.48 . 1 107 12 LEU HA H 4.04 . 1 108 12 LEU HB2 H 1.53 . 2 109 12 LEU HB3 H 1.97 . 2 110 12 LEU HG H 1.92 . 1 111 12 LEU HD1 H 0.86 . 2 112 12 LEU HD2 H 0.82 . 2 113 12 LEU C C 178.9 . 1 114 12 LEU CA C 58.1 . 1 115 12 LEU CB C 40.1 . 1 116 12 LEU CG C 26.9 . 1 117 12 LEU CD1 C 25.2 . 2 118 12 LEU CD2 C 21.6 . 2 119 12 LEU N N 118.7 . 1 120 13 ASP H H 7.99 . 1 121 13 ASP HA H 4.42 . 1 122 13 ASP HB2 H 2.64 . 2 123 13 ASP HB3 H 2.84 . 2 124 13 ASP C C 178.9 . 1 125 13 ASP CA C 57.5 . 1 126 13 ASP CB C 40.5 . 1 127 13 ASP N N 119.5 . 1 128 14 GLN H H 7.62 . 1 129 14 GLN HA H 4.23 . 1 130 14 GLN HB2 H 2.37 . 2 131 14 GLN HB3 H 2.37 . 2 132 14 GLN HG2 H 2.34 . 2 133 14 GLN HG3 H 2.56 . 2 134 14 GLN HE21 H 7.39 . 1 135 14 GLN HE22 H 6.79 . 1 136 14 GLN C C 178.4 . 1 137 14 GLN CA C 58.1 . 1 138 14 GLN CB C 27.8 . 1 139 14 GLN CG C 33.0 . 1 140 14 GLN N N 118.9 . 1 141 14 GLN NE2 N 111.6 . 1 142 15 VAL H H 8.48 . 1 143 15 VAL HA H 3.38 . 1 144 15 VAL HB H 2.32 . 1 145 15 VAL HG1 H 0.93 . 2 146 15 VAL HG2 H 1.01 . 2 147 15 VAL C C 177.6 . 1 148 15 VAL CA C 66.6 . 1 149 15 VAL CB C 30.5 . 1 150 15 VAL CG1 C 24.0 . 2 151 15 VAL CG2 C 23.9 . 2 152 15 VAL N N 121.3 . 1 153 16 ALA H H 8.08 . 1 154 16 ALA HA H 4.45 . 1 155 16 ALA HB H 1.33 . 1 156 16 ALA C C 179.1 . 1 157 16 ALA CA C 54.6 . 1 158 16 ALA CB C 17.7 . 1 159 16 ALA N N 121.4 . 1 160 17 ARG H H 7.48 . 1 161 17 ARG HA H 3.91 . 1 162 17 ARG HB2 H 2.12 . 2 163 17 ARG HB3 H 2.12 . 2 164 17 ARG HG2 H 1.63 . 2 165 17 ARG HD2 H 3.27 . 2 166 17 ARG HD3 H 3.27 . 2 167 17 ARG C C 179.7 . 1 168 17 ARG CA C 59.7 . 1 169 17 ARG CB C 30.4 . 1 170 17 ARG CD C 44.0 . 1 171 17 ARG N N 116.9 . 1 172 18 VAL H H 7.96 . 1 173 18 VAL HA H 3.69 . 1 174 18 VAL HB H 2.39 . 1 175 18 VAL HG1 H 0.87 . 2 176 18 VAL HG2 H 1.17 . 2 177 18 VAL C C 177.9 . 1 178 18 VAL CA C 66.6 . 1 179 18 VAL CB C 31.3 . 1 180 18 VAL CG1 C 22.1 . 2 181 18 VAL CG2 C 21.6 . 2 182 18 VAL N N 123.0 . 1 183 19 GLY H H 8.27 . 1 184 19 GLY HA2 H 3.43 . 2 185 19 GLY HA3 H 3.43 . 2 186 19 GLY C C 174.4 . 1 187 19 GLY CA C 48.5 . 1 188 19 GLY N N 105.4 . 1 189 20 LYS H H 8.25 . 1 190 20 LYS HA H 3.71 . 1 191 20 LYS HB2 H 1.85 . 2 192 20 LYS HB3 H 1.85 . 2 193 20 LYS HG2 H 1.37 . 2 194 20 LYS HG3 H 1.55 . 2 195 20 LYS HD2 H 1.68 . 2 196 20 LYS HD3 H 1.68 . 2 197 20 LYS HE2 H 2.97 . 2 198 20 LYS HE3 H 2.97 . 2 199 20 LYS C C 179.4 . 1 200 20 LYS CA C 59.3 . 1 201 20 LYS CB C 32.6 . 1 202 20 LYS CG C 25.7 . 1 203 20 LYS CD C 29.4 . 1 204 20 LYS CE C 42.4 . 1 205 20 LYS N N 118.7 . 1 206 21 ALA H H 7.64 . 1 207 21 ALA HA H 3.79 . 1 208 21 ALA HB H 1.57 . 1 209 21 ALA C C 177.9 . 1 210 21 ALA CA C 55.2 . 1 211 21 ALA CB C 19.2 . 1 212 21 ALA N N 121.7 . 1 213 22 LEU H H 7.33 . 1 214 22 LEU HA H 4.14 . 1 215 22 LEU HB2 H 1.61 . 2 216 22 LEU HB3 H 1.93 . 2 217 22 LEU HG H 1.94 . 1 218 22 LEU HD1 H 0.69 . 2 219 22 LEU HD2 H 0.63 . 2 220 22 LEU C C 176.8 . 1 221 22 LEU CA C 54.6 . 1 222 22 LEU CB C 42.9 . 1 223 22 LEU CG C 26.0 . 1 224 22 LEU CD1 C 25.7 . 2 225 22 LEU CD2 C 22.7 . 2 226 22 LEU N N 114.2 . 1 227 23 ALA H H 7.16 . 1 228 23 ALA HA H 4.72 . 1 229 23 ALA HB H 1.34 . 1 230 23 ALA C C 176.7 . 1 231 23 ALA CA C 53.0 . 1 232 23 ALA CB C 18.2 . 1 233 23 ALA N N 118.2 . 1 234 24 ASN H H 7.44 . 1 235 24 ASN HA H 4.73 . 1 236 24 ASN HB2 H 2.32 . 2 237 24 ASN HB3 H 2.94 . 2 238 24 ASN HD21 H 7.85 . 1 239 24 ASN HD22 H 7.10 . 1 240 24 ASN C C 174.8 . 1 241 24 ASN CA C 53.5 . 1 242 24 ASN CB C 41.7 . 1 243 24 ASN N N 116.8 . 1 244 24 ASN ND2 N 113.6 . 1 245 25 GLY H H 9.37 . 1 246 25 GLY HA2 H 3.65 . 2 247 25 GLY HA3 H 4.11 . 2 248 25 GLY C C 175.3 . 1 249 25 GLY CA C 47.6 . 1 250 25 GLY N N 114.8 . 1 251 26 ARG H H 8.05 . 1 252 26 ARG HA H 4.15 . 1 253 26 ARG HB2 H 1.93 . 2 254 26 ARG HB3 H 1.93 . 2 255 26 ARG HG2 H 1.74 . 2 256 26 ARG HG3 H 1.74 . 2 257 26 ARG C C 179.3 . 1 258 26 ARG CA C 57.0 . 1 259 26 ARG CB C 29.9 . 1 260 26 ARG CG C 26.8 . 1 261 26 ARG CD C 43.1 . 1 262 26 ARG N N 120.5 . 1 263 27 ARG H H 7.93 . 1 264 27 ARG HA H 3.71 . 1 265 27 ARG HB2 H 1.84 . 2 266 27 ARG HB3 H 2.08 . 2 267 27 ARG HD2 H 3.02 . 2 268 27 ARG HD3 H 3.53 . 2 269 27 ARG C C 178.3 . 1 270 27 ARG CA C 61.0 . 1 271 27 ARG CB C 30.4 . 1 272 27 ARG CD C 45.2 . 1 273 27 ARG N N 117.9 . 1 274 28 LEU H H 7.64 . 1 275 28 LEU HA H 3.95 . 1 276 28 LEU HB2 H 1.51 . 2 277 28 LEU HB3 H 2.24 . 2 278 28 LEU HG H 2.07 . 1 279 28 LEU HD1 H 1.07 . 2 280 28 LEU HD2 H 0.99 . 2 281 28 LEU C C 178.2 . 1 282 28 LEU CA C 57.6 . 1 283 28 LEU CB C 41.9 . 1 284 28 LEU CG C 26.5 . 1 285 28 LEU CD1 C 27.6 . 2 286 28 LEU CD2 C 23.6 . 2 287 28 LEU N N 117.6 . 1 288 29 GLN H H 8.11 . 1 289 29 GLN HA H 3.88 . 1 290 29 GLN HB2 H 2.14 . 2 291 29 GLN HB3 H 2.26 . 2 292 29 GLN HG2 H 2.58 . 2 293 29 GLN HG3 H 2.25 . 2 294 29 GLN HE21 H 7.68 . 1 295 29 GLN HE22 H 6.86 . 1 296 29 GLN C C 179.4 . 1 297 29 GLN CA C 59.1 . 1 298 29 GLN CB C 28.8 . 1 299 29 GLN CG C 34.4 . 1 300 29 GLN N N 119.3 . 1 301 29 GLN NE2 N 110.7 . 1 302 30 ILE H H 7.53 . 1 303 30 ILE HA H 3.34 . 1 304 30 ILE HB H 1.89 . 1 305 30 ILE HG12 H 0.60 . 2 306 30 ILE HG13 H 1.93 . 2 307 30 ILE HG2 H 0.58 . 1 308 30 ILE HD1 H 0.66 . 1 309 30 ILE C C 176.7 . 1 310 30 ILE CA C 65.9 . 1 311 30 ILE CB C 37.4 . 1 312 30 ILE CG1 C 29.3 . 1 313 30 ILE CG2 C 18.0 . 1 314 30 ILE CD1 C 14.4 . 1 315 30 ILE N N 118.6 . 1 316 31 LEU H H 7.50 . 1 317 31 LEU HA H 3.52 . 1 318 31 LEU HB2 H 0.62 . 2 319 31 LEU HB3 H 1.23 . 2 320 31 LEU HG H 1.26 . 1 321 31 LEU HD1 H 0.49 . 2 322 31 LEU HD2 H 0.36 . 2 323 31 LEU C C 177.3 . 1 324 31 LEU CA C 58.1 . 1 325 31 LEU CB C 41.1 . 1 326 31 LEU CG C 26.2 . 1 327 31 LEU CD1 C 25.3 . 2 328 31 LEU CD2 C 23.9 . 2 329 31 LEU N N 119.9 . 1 330 32 ASP H H 7.95 . 1 331 32 ASP HA H 4.30 . 1 332 32 ASP HB2 H 2.73 . 1 333 32 ASP HB3 H 2.73 . 1 334 32 ASP C C 178.3 . 1 335 32 ASP CA C 57.4 . 1 336 32 ASP CB C 42.4 . 1 337 32 ASP N N 116.9 . 1 338 33 LEU H H 7.35 . 1 339 33 LEU HA H 4.13 . 1 340 33 LEU HB2 H 1.69 . 2 341 33 LEU HB3 H 1.74 . 2 342 33 LEU HG H 1.59 . 1 343 33 LEU HD1 H 0.83 . 2 344 33 LEU HD2 H 0.85 . 2 345 33 LEU C C 180.0 . 1 346 33 LEU CA C 57.6 . 1 347 33 LEU CB C 42.3 . 1 348 33 LEU CG C 27.0 . 1 349 33 LEU CD1 C 27.0 . 2 350 33 LEU CD2 C 24.6 . 2 351 33 LEU N N 118.6 . 1 352 34 LEU H H 8.30 . 1 353 34 LEU HA H 4.49 . 1 354 34 LEU HB2 H 1.34 . 2 355 34 LEU HB3 H 1.69 . 2 356 34 LEU HG H 1.84 . 1 357 34 LEU HD1 H 0.53 . 2 358 34 LEU HD2 H 0.86 . 2 359 34 LEU C C 178.9 . 1 360 34 LEU CA C 55.8 . 1 361 34 LEU CB C 41.3 . 1 362 34 LEU CG C 26.3 . 1 363 34 LEU CD1 C 26.8 . 2 364 34 LEU CD2 C 22.4 . 2 365 34 LEU N N 117.8 . 1 366 35 ALA H H 8.16 . 1 367 35 ALA HA H 4.05 . 1 368 35 ALA HB H 1.56 . 1 369 35 ALA C C 179.0 . 1 370 35 ALA CA C 54.9 . 1 371 35 ALA CB C 17.5 . 1 372 35 ALA N N 123.9 . 1 373 36 GLN H H 7.60 . 1 374 36 GLN HA H 4.34 . 1 375 36 GLN HB2 H 2.13 . 2 376 36 GLN HB3 H 2.38 . 2 377 36 GLN HG2 H 2.41 . 2 378 36 GLN HG3 H 2.50 . 2 379 36 GLN HE21 H 7.52 . 1 380 36 GLN HE22 H 6.88 . 1 381 36 GLN C C 176.1 . 1 382 36 GLN CA C 55.8 . 1 383 36 GLN CB C 29.0 . 1 384 36 GLN CG C 34.0 . 1 385 36 GLN N N 113.3 . 1 386 36 GLN NE2 N 112.8 . 1 387 37 GLY H H 7.55 . 1 388 37 GLY HA2 H 3.73 . 2 389 37 GLY HA3 H 4.49 . 2 390 37 GLY C C 171.5 . 1 391 37 GLY CA C 44.5 . 1 392 37 GLY N N 108.4 . 1 393 38 GLU H H 8.12 . 1 394 38 GLU HA H 4.82 . 1 395 38 GLU HB2 H 1.91 . 2 396 38 GLU HB3 H 1.91 . 2 397 38 GLU HG2 H 2.12 . 2 398 38 GLU HG3 H 2.12 . 2 399 38 GLU C C 177.0 . 1 400 38 GLU CA C 56.4 . 1 401 38 GLU CB C 31.2 . 1 402 38 GLU CG C 36.8 . 1 403 38 GLU N N 119.6 . 1 404 39 ARG H H 8.58 . 1 405 39 ARG HA H 4.97 . 1 406 39 ARG HB2 H 1.61 . 2 407 39 ARG HB3 H 1.86 . 2 408 39 ARG HG2 H 1.52 . 2 409 39 ARG HG3 H 1.88 . 2 410 39 ARG HD2 H 3.27 . 2 411 39 ARG HD3 H 2.99 . 2 412 39 ARG HE H 7.26 . 1 413 39 ARG C C 174.8 . 1 414 39 ARG CA C 53.9 . 1 415 39 ARG CB C 36.4 . 1 416 39 ARG CG C 27.2 . 1 417 39 ARG CD C 43.2 . 1 418 39 ARG N N 121.5 . 1 419 39 ARG NE N 84.4 . 1 420 40 ALA H H 8.91 . 1 421 40 ALA HA H 4.92 . 1 422 40 ALA HB H 1.28 . 1 423 40 ALA C C 179.2 . 1 424 40 ALA CA C 51.1 . 1 425 40 ALA CB C 19.2 . 1 426 40 ALA N N 125.1 . 1 427 41 VAL H H 8.42 . 1 428 41 VAL HA H 3.43 . 1 429 41 VAL HB H 2.11 . 1 430 41 VAL HG1 H 0.91 . 2 431 41 VAL HG2 H 1.09 . 2 432 41 VAL C C 176.8 . 1 433 41 VAL CA C 67.6 . 1 434 41 VAL CB C 31.6 . 1 435 41 VAL CG1 C 20.6 . 2 436 41 VAL CG2 C 23.1 . 2 437 41 VAL N N 120.9 . 1 438 42 GLU H H 9.64 . 1 439 42 GLU HA H 3.88 . 1 440 42 GLU HB2 H 2.01 . 2 441 42 GLU HB3 H 2.01 . 2 442 42 GLU HG2 H 2.27 . 2 443 42 GLU HG3 H 2.48 . 2 444 42 GLU C C 178.3 . 1 445 42 GLU CA C 60.6 . 1 446 42 GLU CB C 28.3 . 1 447 42 GLU CG C 37.0 . 1 448 42 GLU N N 119.0 . 1 449 43 ALA H H 6.87 . 1 450 43 ALA HA H 4.29 . 1 451 43 ALA HB H 1.65 . 1 452 43 ALA C C 180.7 . 1 453 43 ALA CA C 54.1 . 1 454 43 ALA CB C 19.1 . 1 455 43 ALA N N 120.5 . 1 456 44 ILE H H 7.97 . 1 457 44 ILE HA H 3.47 . 1 458 44 ILE HB H 2.05 . 1 459 44 ILE HG12 H 0.76 . 2 460 44 ILE HG13 H 1.78 . 2 461 44 ILE HG2 H 0.71 . 1 462 44 ILE HD1 H 0.80 . 1 463 44 ILE C C 178.3 . 1 464 44 ILE CA C 64.7 . 1 465 44 ILE CB C 38.1 . 1 466 44 ILE CG1 C 29.1 . 1 467 44 ILE CG2 C 17.7 . 1 468 44 ILE CD1 C 14.7 . 1 469 44 ILE N N 120.5 . 1 470 45 ALA H H 8.46 . 1 471 45 ALA HA H 3.72 . 1 472 45 ALA HB H 1.40 . 1 473 45 ALA C C 178.5 . 1 474 45 ALA CA C 56.2 . 1 475 45 ALA CB C 17.4 . 1 476 45 ALA N N 124.5 . 1 477 46 THR H H 8.08 . 1 478 46 THR HA H 3.90 . 1 479 46 THR HB H 4.13 . 1 480 46 THR HG2 H 1.25 . 1 481 46 THR C C 177.2 . 1 482 46 THR CA C 66.4 . 1 483 46 THR CB C 68.8 . 1 484 46 THR CG2 C 21.7 . 1 485 46 THR N N 112.4 . 1 486 47 ALA H H 7.93 . 1 487 47 ALA HA H 4.20 . 1 488 47 ALA HB H 1.52 . 1 489 47 ALA C C 179.2 . 1 490 47 ALA CA C 54.8 . 1 491 47 ALA CB C 19.8 . 1 492 47 ALA N N 121.4 . 1 493 48 THR H H 7.56 . 1 494 48 THR HA H 4.39 . 1 495 48 THR HB H 4.21 . 1 496 48 THR HG2 H 1.11 . 1 497 48 THR C C 175.7 . 1 498 48 THR CA C 61.8 . 1 499 48 THR CB C 71.0 . 1 500 48 THR CG2 C 21.7 . 1 501 48 THR N N 103.5 . 1 502 49 GLY H H 7.82 . 1 503 49 GLY HA2 H 3.87 . 2 504 49 GLY HA3 H 4.10 . 2 505 49 GLY C C 174.4 . 1 506 49 GLY CA C 46.3 . 1 507 49 GLY N N 111.1 . 1 508 50 MET H H 7.93 . 1 509 50 MET HA H 4.54 . 1 510 50 MET HB2 H 1.73 . 2 511 50 MET HB3 H 1.94 . 2 512 50 MET HG2 H 2.39 . 2 513 50 MET HG3 H 2.58 . 2 514 50 MET HE H 1.98 . 1 515 50 MET C C 174.8 . 1 516 50 MET CA C 55.1 . 1 517 50 MET CB C 37.2 . 1 518 50 MET CG C 32.7 . 1 519 50 MET CE C 17.6 . 1 520 50 MET N N 119.3 . 1 521 51 ASN H H 8.04 . 1 522 51 ASN HA H 4.58 . 1 523 51 ASN HB2 H 2.69 . 2 524 51 ASN HB3 H 3.06 . 2 525 51 ASN C C 176.1 . 1 526 51 ASN CA C 52.8 . 1 527 51 ASN CB C 41.1 . 1 528 51 ASN N N 118.0 . 1 529 52 LEU H H 8.56 . 1 530 52 LEU HA H 3.76 . 1 531 52 LEU HB2 H 1.67 . 2 532 52 LEU HB3 H 1.67 . 2 533 52 LEU HG H 1.68 . 1 534 52 LEU HD1 H 0.86 . 2 535 52 LEU HD2 H 0.92 . 2 536 52 LEU C C 179.6 . 1 537 52 LEU CA C 59.0 . 1 538 52 LEU CB C 41.8 . 1 539 52 LEU CG C 27.4 . 1 540 52 LEU CD1 C 24.5 . 2 541 52 LEU CD2 C 24.9 . 2 542 52 LEU N N 120.6 . 1 543 53 THR H H 8.23 . 1 544 53 THR HA H 3.88 . 1 545 53 THR HB H 4.16 . 1 546 53 THR HG2 H 1.21 . 1 547 53 THR C C 176.9 . 1 548 53 THR CA C 66.5 . 1 549 53 THR CB C 68.4 . 1 550 53 THR CG2 C 21.7 . 1 551 53 THR N N 115.8 . 1 552 54 THR H H 8.42 . 1 553 54 THR HA H 3.88 . 1 554 54 THR HB H 3.89 . 1 555 54 THR HG2 H 1.21 . 1 556 54 THR C C 177.3 . 1 557 54 THR CA C 66.6 . 1 558 54 THR CB C 66.6 . 1 559 54 THR CG2 C 21.7 . 1 560 54 THR N N 122.3 . 1 561 55 ALA H H 8.86 . 1 562 55 ALA HA H 4.02 . 1 563 55 ALA HB H 1.17 . 1 564 55 ALA C C 179.0 . 1 565 55 ALA CA C 56.1 . 1 566 55 ALA CB C 17.0 . 1 567 55 ALA N N 125.6 . 1 568 56 SER H H 8.44 . 1 569 56 SER HA H 3.92 . 1 570 56 SER HB2 H 4.01 . 2 571 56 SER HB3 H 4.01 . 2 572 56 SER C C 176.4 . 1 573 56 SER CA C 62.6 . 1 574 56 SER CB C 62.7 . 1 575 56 SER N N 112.7 . 1 576 57 ALA H H 8.09 . 1 577 57 ALA HA H 4.13 . 1 578 57 ALA HB H 1.47 . 1 579 57 ALA C C 181.2 . 1 580 57 ALA CA C 55.2 . 1 581 57 ALA CB C 17.9 . 1 582 57 ALA N N 124.0 . 1 583 58 ASN H H 7.97 . 1 584 58 ASN HA H 4.48 . 1 585 58 ASN HB2 H 2.10 . 2 586 58 ASN HB3 H 2.63 . 2 587 58 ASN HD21 H 7.72 . 2 588 58 ASN HD22 H 6.68 . 2 589 58 ASN C C 177.5 . 1 590 58 ASN CA C 56.9 . 1 591 58 ASN CB C 39.8 . 1 592 58 ASN N N 117.6 . 1 593 58 ASN ND2 N 114.4 . 1 594 59 LEU H H 8.53 . 1 595 59 LEU HA H 3.71 . 1 596 59 LEU HB2 H 0.57 . 2 597 59 LEU HB3 H 1.64 . 2 598 59 LEU HG H 1.34 . 1 599 59 LEU HD1 H 0.26 . 2 600 59 LEU HD2 H 0.22 . 2 601 59 LEU C C 178.4 . 1 602 59 LEU CA C 58.6 . 1 603 59 LEU CB C 40.5 . 1 604 59 LEU CG C 27.3 . 1 605 59 LEU CD1 C 25.7 . 2 606 59 LEU CD2 C 23.3 . 2 607 59 LEU N N 122.6 . 1 608 60 GLN H H 8.20 . 1 609 60 GLN HA H 4.02 . 1 610 60 GLN HB2 H 2.16 . 2 611 60 GLN HB3 H 2.16 . 2 612 60 GLN HG2 H 2.46 . 2 613 60 GLN HG3 H 2.46 . 2 614 60 GLN HE21 H 7.34 . 1 615 60 GLN HE22 H 6.89 . 1 616 60 GLN C C 178.7 . 1 617 60 GLN CA C 58.8 . 1 618 60 GLN CB C 27.7 . 1 619 60 GLN CG C 33.8 . 1 620 60 GLN N N 118.9 . 1 621 60 GLN NE2 N 112.3 . 1 622 61 ALA H H 7.58 . 1 623 61 ALA HA H 4.23 . 1 624 61 ALA HB H 1.47 . 1 625 61 ALA C C 181.3 . 1 626 61 ALA CA C 55.1 . 1 627 61 ALA CB C 17.6 . 1 628 61 ALA N N 122.2 . 1 629 62 LEU H H 7.83 . 1 630 62 LEU HA H 3.98 . 1 631 62 LEU HB2 H 1.19 . 2 632 62 LEU HB3 H 2.12 . 2 633 62 LEU HG H 1.72 . 1 634 62 LEU HD1 H 0.77 . 2 635 62 LEU HD2 H 0.63 . 2 636 62 LEU C C 178.5 . 1 637 62 LEU CA C 58.1 . 1 638 62 LEU CB C 43.3 . 1 639 62 LEU CD1 C 25.8 . 2 640 62 LEU CD2 C 20.0 . 2 641 62 LEU N N 119.0 . 1 642 63 LYS H H 8.58 . 1 643 63 LYS HA H 4.13 . 1 644 63 LYS HB2 H 1.75 . 2 645 63 LYS HB3 H 2.16 . 2 646 63 LYS HG2 H 1.59 . 2 647 63 LYS HG3 H 1.59 . 2 648 63 LYS HD2 H 1.82 . 2 649 63 LYS HD3 H 1.82 . 2 650 63 LYS HE2 H 3.09 . 2 651 63 LYS HE3 H 3.09 . 2 652 63 LYS C C 180.5 . 1 653 63 LYS CA C 59.7 . 1 654 63 LYS CB C 32.6 . 1 655 63 LYS CG C 24.8 . 1 656 63 LYS CD C 29.8 . 1 657 63 LYS CE C 42.2 . 1 658 63 LYS N N 123.4 . 1 659 64 SER H H 8.64 . 1 660 64 SER HA H 4.30 . 1 661 64 SER HB2 H 4.01 . 2 662 64 SER HB3 H 4.01 . 2 663 64 SER C C 175.0 . 1 664 64 SER CA C 61.4 . 1 665 64 SER CB C 63.0 . 1 666 64 SER N N 117.7 . 1 667 65 GLY H H 7.28 . 1 668 65 GLY HA2 H 3.24 . 2 669 65 GLY HA3 H 3.98 . 2 670 65 GLY C C 171.3 . 1 671 65 GLY CA C 45.1 . 1 672 65 GLY N N 104.4 . 1 673 66 GLY H H 7.73 . 1 674 66 GLY HA2 H 3.65 . 2 675 66 GLY HA3 H 3.75 . 2 676 66 GLY C C 173.7 . 1 677 66 GLY CA C 45.4 . 1 678 66 GLY N N 104.7 . 1 679 67 LEU H H 7.52 . 1 680 67 LEU HA H 4.31 . 1 681 67 LEU HB2 H 1.60 . 2 682 67 LEU HB3 H 1.60 . 2 683 67 LEU HG H 1.55 . 1 684 67 LEU HD1 H 0.70 . 2 685 67 LEU HD2 H 0.82 . 2 686 67 LEU C C 177.7 . 1 687 67 LEU CA C 55.5 . 1 688 67 LEU CB C 42.4 . 1 689 67 LEU CG C 27.0 . 1 690 67 LEU CD1 C 23.4 . 2 691 67 LEU CD2 C 27.1 . 2 692 67 LEU N N 110.6 . 1 693 68 VAL H H 6.89 . 1 694 68 VAL HA H 5.19 . 1 695 68 VAL HB H 2.15 . 1 696 68 VAL HG1 H 0.65 . 2 697 68 VAL HG2 H 0.63 . 2 698 68 VAL C C 173.7 . 1 699 68 VAL CA C 57.4 . 1 700 68 VAL CB C 36.4 . 1 701 68 VAL CG1 C 22.7 . 2 702 68 VAL CG2 C 20.1 . 2 703 68 VAL N N 106.4 . 1 704 69 GLU H H 8.88 . 1 705 69 GLU HA H 4.66 . 1 706 69 GLU HB2 H 1.59 . 2 707 69 GLU HB3 H 1.93 . 2 708 69 GLU HG2 H 2.14 . 2 709 69 GLU HG3 H 2.21 . 2 710 69 GLU C C 173.3 . 1 711 69 GLU CA C 54.3 . 1 712 69 GLU CB C 34.1 . 1 713 69 GLU CG C 36.0 . 1 714 69 GLU N N 120.4 . 1 715 70 ALA H H 8.73 . 1 716 70 ALA HA H 4.99 . 1 717 70 ALA HB H 0.65 . 1 718 70 ALA C C 176.5 . 1 719 70 ALA CA C 50.0 . 1 720 70 ALA CB C 22.3 . 1 721 70 ALA N N 122.8 . 1 722 71 ARG H H 8.67 . 1 723 71 ARG HA H 4.63 . 1 724 71 ARG HB2 H 1.65 . 2 725 71 ARG HB3 H 1.70 . 2 726 71 ARG HG2 H 1.32 . 2 727 71 ARG HG3 H 1.40 . 2 728 71 ARG HD2 H 2.85 . 2 729 71 ARG HD3 H 3.16 . 2 730 71 ARG HE H 8.31 . 1 731 71 ARG HH11 H 6.17 . 2 732 71 ARG HH12 H 6.17 . 2 733 71 ARG HH21 H 6.89 . 2 734 71 ARG HH22 H 6.89 . 2 735 71 ARG C C 173.5 . 1 736 71 ARG CA C 54.6 . 1 737 71 ARG CB C 33.6 . 1 738 71 ARG CG C 27.7 . 1 739 71 ARG CD C 42.9 . 1 740 71 ARG CZ C 159.1 . 1 741 71 ARG N N 120.1 . 1 742 71 ARG NE N 84.1 . 1 743 72 ARG H H 8.78 . 1 744 72 ARG HA H 5.10 . 1 745 72 ARG HB2 H 1.65 . 2 746 72 ARG HB3 H 1.75 . 2 747 72 ARG HG2 H 1.41 . 2 748 72 ARG HG3 H 1.49 . 2 749 72 ARG HD2 H 3.13 . 2 750 72 ARG HD3 H 3.13 . 2 751 72 ARG C C 176.0 . 1 752 72 ARG CA C 54.9 . 1 753 72 ARG CB C 32.5 . 1 754 72 ARG CG C 27.8 . 1 755 72 ARG CD C 43.2 . 1 756 72 ARG N N 123.6 . 1 757 73 GLU H H 8.72 . 1 758 73 GLU HA H 4.51 . 1 759 73 GLU HB2 H 1.85 . 2 760 73 GLU HB3 H 2.08 . 2 761 73 GLU HG2 H 2.16 . 2 762 73 GLU HG3 H 2.16 . 2 763 73 GLU C C 175.9 . 1 764 73 GLU CA C 55.7 . 1 765 73 GLU CB C 31.8 . 1 766 73 GLU CG C 36.2 . 1 767 73 GLU N N 126.8 . 1 768 74 GLY H H 9.19 . 1 769 74 GLY HA2 H 3.70 . 2 770 74 GLY HA3 H 4.17 . 2 771 74 GLY C C 175.4 . 1 772 74 GLY CA C 47.1 . 1 773 74 GLY N N 118.5 . 1 774 75 THR H H 8.78 . 1 775 75 THR HA H 4.29 . 1 776 75 THR HB H 4.52 . 1 777 75 THR HG2 H 1.21 . 1 778 75 THR C C 174.6 . 1 779 75 THR CA C 62.0 . 1 780 75 THR CB C 69.0 . 1 781 75 THR CG2 C 21.7 . 1 782 75 THR N N 118.0 . 1 783 76 ARG H H 8.03 . 1 784 76 ARG HA H 4.61 . 1 785 76 ARG HB2 H 1.53 . 2 786 76 ARG HB3 H 1.93 . 2 787 76 ARG HG2 H 1.51 . 2 788 76 ARG HG3 H 1.69 . 2 789 76 ARG HD2 H 3.13 . 2 790 76 ARG HD3 H 3.13 . 2 791 76 ARG C C 174.8 . 1 792 76 ARG CA C 55.5 . 1 793 76 ARG CB C 32.7 . 1 794 76 ARG CG C 27.5 . 1 795 76 ARG CD C 43.4 . 1 796 76 ARG N N 122.6 . 1 797 77 GLN H H 8.58 . 1 798 77 GLN HA H 4.91 . 1 799 77 GLN HB2 H 1.82 . 2 800 77 GLN HB3 H 1.82 . 2 801 77 GLN HG2 H 1.93 . 2 802 77 GLN HG3 H 2.11 . 2 803 77 GLN HE21 H 7.21 . 1 804 77 GLN HE22 H 6.75 . 1 805 77 GLN C C 173.9 . 1 806 77 GLN CA C 54.7 . 1 807 77 GLN CB C 31.8 . 1 808 77 GLN CG C 34.5 . 1 809 77 GLN N N 121.9 . 1 810 77 GLN NE2 N 111.2 . 1 811 78 TYR H H 8.89 . 1 812 78 TYR HA H 4.75 . 1 813 78 TYR HB2 H 2.50 . 2 814 78 TYR HB3 H 2.59 . 2 815 78 TYR HD1 H 6.71 . 3 816 78 TYR HD2 H 6.71 . 3 817 78 TYR HE1 H 6.74 . 3 818 78 TYR HE2 H 6.74 . 3 819 78 TYR C C 175.6 . 1 820 78 TYR CA C 57.0 . 1 821 78 TYR CB C 41.4 . 1 822 78 TYR CD1 C 132.5 . 3 823 78 TYR CD2 C 132.5 . 3 824 78 TYR CE1 C 118.2 . 3 825 78 TYR CE2 C 118.2 . 3 826 78 TYR N N 121.8 . 1 827 79 TYR H H 9.01 . 1 828 79 TYR HA H 5.41 . 1 829 79 TYR HB2 H 2.60 . 2 830 79 TYR HB3 H 2.60 . 2 831 79 TYR HD1 H 6.77 . 3 832 79 TYR HD2 H 6.77 . 3 833 79 TYR HE1 H 6.46 . 3 834 79 TYR HE2 H 6.46 . 3 835 79 TYR C C 173.1 . 1 836 79 TYR CA C 57.3 . 1 837 79 TYR CB C 43.3 . 1 838 79 TYR CD1 C 132.8 . 3 839 79 TYR CD2 C 132.8 . 3 840 79 TYR CE1 C 118.5 . 3 841 79 TYR CE2 C 118.5 . 3 842 79 TYR N N 122.5 . 1 843 80 ARG H H 8.72 . 1 844 80 ARG HA H 5.12 . 1 845 80 ARG HB2 H 1.60 . 2 846 80 ARG HB3 H 1.89 . 2 847 80 ARG HG2 H 1.19 . 2 848 80 ARG HG3 H 1.64 . 2 849 80 ARG HD2 H 2.99 . 2 850 80 ARG HD3 H 2.99 . 2 851 80 ARG HE H 7.35 . 1 852 80 ARG C C 175.5 . 1 853 80 ARG CA C 53.2 . 1 854 80 ARG CB C 33.9 . 1 855 80 ARG CG C 25.9 . 1 856 80 ARG CD C 43.7 . 1 857 80 ARG N N 114.5 . 1 858 80 ARG NE N 86.3 . 1 859 81 ILE H H 9.30 . 1 860 81 ILE HA H 4.15 . 1 861 81 ILE HB H 1.70 . 1 862 81 ILE HG12 H 1.16 . 2 863 81 ILE HG13 H 1.46 . 2 864 81 ILE HG2 H 0.90 . 1 865 81 ILE HD1 H 0.75 . 1 866 81 ILE C C 177.8 . 1 867 81 ILE CA C 62.3 . 1 868 81 ILE CB C 37.8 . 1 869 81 ILE CG1 C 28.9 . 1 870 81 ILE CG2 C 17.9 . 1 871 81 ILE CD1 C 12.4 . 1 872 81 ILE N N 122.1 . 1 873 82 ALA H H 7.93 . 1 874 82 ALA HA H 3.93 . 1 875 82 ALA HB H 0.97 . 1 876 82 ALA C C 176.3 . 1 877 82 ALA CA C 54.2 . 1 878 82 ALA CB C 18.5 . 1 879 82 ALA N N 127.2 . 1 880 83 GLY H H 6.98 . 1 881 83 GLY HA2 H 4.09 . 2 882 83 GLY HA3 H 4.44 . 2 883 83 GLY C C 173.6 . 1 884 83 GLY CA C 45.2 . 1 885 83 GLY N N 101.8 . 1 886 84 GLU H H 8.93 . 1 887 84 GLU HA H 4.12 . 1 888 84 GLU HB2 H 2.04 . 2 889 84 GLU HB3 H 2.11 . 2 890 84 GLU HG2 H 2.35 . 2 891 84 GLU HG3 H 2.35 . 2 892 84 GLU C C 178.3 . 1 893 84 GLU CA C 58.9 . 1 894 84 GLU CB C 29.4 . 1 895 84 GLU CG C 36.0 . 1 896 84 GLU N N 120.3 . 1 897 85 ASP H H 8.95 . 1 898 85 ASP HA H 4.31 . 1 899 85 ASP HB2 H 2.61 . 2 900 85 ASP HB3 H 2.61 . 2 901 85 ASP C C 178.0 . 1 902 85 ASP CA C 57.1 . 1 903 85 ASP CB C 38.9 . 1 904 85 ASP N N 119.4 . 1 905 86 VAL H H 7.62 . 1 906 86 VAL HA H 3.48 . 1 907 86 VAL HB H 2.20 . 1 908 86 VAL HG1 H 1.17 . 2 909 86 VAL HG2 H 1.00 . 2 910 86 VAL C C 177.4 . 1 911 86 VAL CA C 66.8 . 1 912 86 VAL CB C 31.3 . 1 913 86 VAL CG1 C 22.0 . 2 914 86 VAL CG2 C 23.6 . 2 915 86 VAL N N 121.6 . 1 916 87 ALA H H 7.52 . 1 917 87 ALA HA H 4.11 . 1 918 87 ALA HB H 1.59 . 1 919 87 ALA C C 181.2 . 1 920 87 ALA CA C 55.8 . 1 921 87 ALA CB C 17.6 . 1 922 87 ALA N N 122.7 . 1 923 88 ARG H H 8.38 . 1 924 88 ARG HA H 4.09 . 1 925 88 ARG HB2 H 1.85 . 2 926 88 ARG HB3 H 2.08 . 2 927 88 ARG HG2 H 1.63 . 2 928 88 ARG HG3 H 1.95 . 2 929 88 ARG HD2 H 3.26 . 2 930 88 ARG HD3 H 3.26 . 2 931 88 ARG HE H 7.56 . 1 932 88 ARG C C 179.1 . 1 933 88 ARG CA C 59.6 . 1 934 88 ARG CB C 30.5 . 1 935 88 ARG CG C 28.5 . 1 936 88 ARG CD C 43.6 . 1 937 88 ARG N N 119.2 . 1 938 88 ARG NE N 84.4 . 1 939 89 LEU H H 8.48 . 1 940 89 LEU HA H 4.04 . 1 941 89 LEU HB2 H 1.55 . 2 942 89 LEU HB3 H 1.55 . 2 943 89 LEU HD1 H 0.84 . 2 944 89 LEU HD2 H 0.89 . 2 945 89 LEU C C 177.2 . 1 946 89 LEU CA C 58.3 . 1 947 89 LEU CB C 41.3 . 1 948 89 LEU CD1 C 24.7 . 2 949 89 LEU CD2 C 27.0 . 2 950 89 LEU N N 123.3 . 1 951 90 PHE H H 8.89 . 1 952 90 PHE HA H 4.38 . 1 953 90 PHE HB2 H 3.07 . 2 954 90 PHE HB3 H 3.19 . 2 955 90 PHE HD1 H 7.13 . 3 956 90 PHE HD2 H 7.13 . 3 957 90 PHE HE1 H 7.25 . 3 958 90 PHE HE2 H 7.25 . 3 959 90 PHE HZ H 7.11 . 1 960 90 PHE C C 177.5 . 1 961 90 PHE CA C 59.4 . 1 962 90 PHE CB C 38.6 . 1 963 90 PHE CD1 C 131.0 . 3 964 90 PHE CD2 C 131.0 . 3 965 90 PHE CE1 C 131.1 . 3 966 90 PHE CE2 C 131.1 . 3 967 90 PHE CZ C 130.0 . 1 968 90 PHE N N 119.4 . 1 969 91 ALA H H 7.92 . 1 970 91 ALA HA H 3.94 . 1 971 91 ALA HB H 1.46 . 1 972 91 ALA C C 180.2 . 1 973 91 ALA CA C 55.1 . 1 974 91 ALA CB C 18.0 . 1 975 91 ALA N N 120.5 . 1 976 92 LEU H H 8.19 . 1 977 92 LEU HA H 4.30 . 1 978 92 LEU HB2 H 1.67 . 2 979 92 LEU HB3 H 1.82 . 2 980 92 LEU HG H 1.54 . 1 981 92 LEU HD1 H 0.97 . 2 982 92 LEU HD2 H 0.89 . 2 983 92 LEU C C 178.9 . 1 984 92 LEU CA C 57.5 . 1 985 92 LEU CB C 42.1 . 1 986 92 LEU CG C 27.4 . 1 987 92 LEU CD1 C 22.8 . 2 988 92 LEU CD2 C 25.8 . 2 989 92 LEU N N 120.2 . 1 990 93 VAL H H 8.89 . 1 991 93 VAL HA H 3.81 . 1 992 93 VAL HB H 2.12 . 1 993 93 VAL HG1 H 1.09 . 2 994 93 VAL HG2 H 0.98 . 2 995 93 VAL C C 176.9 . 1 996 93 VAL CA C 66.0 . 1 997 93 VAL CB C 31.2 . 1 998 93 VAL CG1 C 22.5 . 2 999 93 VAL CG2 C 23.2 . 2 1000 93 VAL N N 117.1 . 1 1001 94 GLN H H 6.92 . 1 1002 94 GLN HA H 3.79 . 1 1003 94 GLN HB2 H 2.00 . 2 1004 94 GLN HB3 H 2.10 . 2 1005 94 GLN HG2 H 1.63 . 2 1006 94 GLN HG3 H 2.12 . 2 1007 94 GLN HE21 H 5.37 . 2 1008 94 GLN HE22 H 6.38 . 2 1009 94 GLN C C 177.4 . 1 1010 94 GLN CA C 60.0 . 1 1011 94 GLN CB C 30.3 . 1 1012 94 GLN CG C 35.9 . 1 1013 94 GLN N N 117.8 . 1 1014 94 GLN NE2 N 111.3 . 1 1015 95 VAL H H 7.42 . 1 1016 95 VAL HA H 3.76 . 1 1017 95 VAL HB H 2.37 . 1 1018 95 VAL HG1 H 0.96 . 2 1019 95 VAL HG2 H 1.08 . 2 1020 95 VAL C C 178.3 . 1 1021 95 VAL CA C 66.6 . 1 1022 95 VAL CB C 31.9 . 1 1023 95 VAL CG1 C 21.0 . 2 1024 95 VAL CG2 C 22.6 . 2 1025 95 VAL N N 121.5 . 1 1026 96 VAL H H 8.34 . 1 1027 96 VAL HA H 3.81 . 1 1028 96 VAL HB H 2.09 . 1 1029 96 VAL HG1 H 0.84 . 2 1030 96 VAL HG2 H 0.99 . 2 1031 96 VAL C C 178.4 . 1 1032 96 VAL CA C 66.1 . 1 1033 96 VAL CB C 32.2 . 1 1034 96 VAL CG1 C 21.5 . 2 1035 96 VAL CG2 C 23.6 . 2 1036 96 VAL N N 120.0 . 1 1037 97 ALA H H 8.14 . 1 1038 97 ALA HA H 4.01 . 1 1039 97 ALA HB H 1.46 . 1 1040 97 ALA C C 178.8 . 1 1041 97 ALA CA C 54.9 . 1 1042 97 ALA CB C 19.9 . 1 1043 97 ALA N N 121.4 . 1 1044 98 ASP H H 8.17 . 1 1045 98 ASP HA H 4.32 . 1 1046 98 ASP HB2 H 2.73 . 2 1047 98 ASP HB3 H 2.82 . 2 1048 98 ASP C C 178.1 . 1 1049 98 ASP CA C 57.1 . 1 1050 98 ASP CB C 41.8 . 1 1051 98 ASP N N 118.5 . 1 1052 99 GLU H H 8.22 . 1 1053 99 GLU HA H 4.00 . 1 1054 99 GLU HB2 H 1.77 . 2 1055 99 GLU HB3 H 2.00 . 2 1056 99 GLU HG2 H 2.00 . 2 1057 99 GLU HG3 H 2.23 . 2 1058 99 GLU C C 178.3 . 1 1059 99 GLU CA C 58.3 . 1 1060 99 GLU CB C 29.8 . 1 1061 99 GLU CG C 35.4 . 1 1062 99 GLU N N 116.6 . 1 1063 100 HIS H H 7.98 . 1 1064 100 HIS HA H 4.60 . 1 1065 100 HIS HB2 H 3.14 . 2 1066 100 HIS HB3 H 3.42 . 2 1067 100 HIS HD2 H 7.16 . 1 1068 100 HIS C C 175.9 . 1 1069 100 HIS CA C 57.5 . 1 1070 100 HIS CB C 30.8 . 1 1071 100 HIS CD2 C 121.1 . 1 1072 100 HIS N N 114.0 . 1 1073 101 LEU H H 7.92 . 1 1074 101 LEU HA H 4.37 . 1 1075 101 LEU HB2 H 1.40 . 2 1076 101 LEU HB3 H 1.99 . 2 1077 101 LEU HG H 1.67 . 1 1078 101 LEU HD1 H 0.87 . 2 1079 101 LEU HD2 H 0.80 . 2 1080 101 LEU C C 177.7 . 1 1081 101 LEU CA C 55.9 . 1 1082 101 LEU CB C 42.1 . 1 1083 101 LEU CG C 27.3 . 1 1084 101 LEU CD1 C 26.3 . 2 1085 101 LEU CD2 C 22.8 . 2 1086 101 LEU N N 118.5 . 1 1087 102 GLU H H 8.10 . 1 1088 102 GLU HA H 4.16 . 1 1089 102 GLU HB2 H 1.94 . 2 1090 102 GLU HB3 H 1.94 . 2 1091 102 GLU HG2 H 2.14 . 2 1092 102 GLU HG3 H 2.14 . 2 1093 102 GLU C C 176.7 . 1 1094 102 GLU CA C 57.0 . 1 1095 102 GLU CB C 29.9 . 1 1096 102 GLU CG C 35.9 . 1 1097 102 GLU N N 119.1 . 1 1098 103 HIS H H 8.01 . 1 1099 103 HIS HA H 4.52 . 1 1100 103 HIS HB2 H 3.03 . 2 1101 103 HIS HB3 H 3.03 . 2 1102 103 HIS CA C 56.1 . 1 1103 103 HIS CB C 29.7 . 1 1104 103 HIS N N 117.3 . 1 1105 107 HIS HA H 4.56 . 1 1106 107 HIS HB2 H 3.03 . 2 1107 107 HIS HB3 H 3.17 . 2 1108 107 HIS C C 173.9 . 1 1109 107 HIS CA C 55.9 . 1 1110 107 HIS CB C 30.2 . 1 1111 108 HIS H H 8.10 . 1 1112 108 HIS HA H 4.41 . 1 1113 108 HIS HB2 H 3.04 . 2 1114 108 HIS HB3 H 3.04 . 2 1115 108 HIS CA C 57.3 . 1 1116 108 HIS CB C 30.4 . 1 1117 108 HIS N N 125.4 . 1 cwd: /data/PSVS/PSVS-v1.4-dev/results/MBR242E_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/MBR242E_R3Cons_em_bcr3/rpf_calc/input/ctrl_file -o rpf_calc -q MBR242E_R3Cons_em_bcr3.pdb.iupac 2>&1| ASDP Version 1.0 Copyright(C) 2010 Center for Advanced Biotechnology and Medicine (CABM) Rutgers University Reading Control_File ...  Doing SimpleMatch for n.peaks ...   Doing SimpleMatch for c_aro.peaks ...   Doing SimpleMatch for c_ali.peaks ...   Reading ComparePdbFile: MBR242E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: MBR242E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: MBR242E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: MBR242E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: MBR242E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: MBR242E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: MBR242E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: MBR242E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: MBR242E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: MBR242E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: MBR242E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: MBR242E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: MBR242E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: MBR242E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: MBR242E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: MBR242E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: MBR242E_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: MBR242E_R3Cons_em_bcr3.pdb.iupac  quality-estimation for n.peaks ...   Doing Recall analysis for n.peaks ...  Doing Precision analysis for n.peaks ...  Doing Recall analysis for n.peaks ...  Doing Precision analysis for n.peaks ... prtSimleMatchPeakAtom for n.peaks ...   quality-estimation for c_aro.peaks ...   Doing Recall analysis for c_aro.peaks ...  Doing Precision analysis for c_aro.peaks ...  Doing Recall analysis for c_aro.peaks ...  Doing Precision analysis for c_aro.peaks ... prtSimleMatchPeakAtom for c_aro.peaks ...   quality-estimation for c_ali.peaks ...   Doing Recall analysis for c_ali.peaks ...  Doing Precision analysis for c_ali.peaks ...  Doing Recall analysis for c_ali.peaks ...  Doing Precision analysis for c_ali.peaks ... prtSimleMatchPeakAtom for c_ali.peaks ...