AS object created. control filepath is: /data/PSVS/PSVS-v1.4-dev/results/SRR115C_R3Cons_em_bcr3/rpf_calc/input/ctrl_file bmrb: chem_shift.bmrb sequence: SRR115C_R3Cons_em_bcr3_seq.bmrb parsing bmrb: /data/PSVS/PSVS-v1.4-dev/results/SRR115C_R3Cons_em_bcr3/rpf_calc/input/chem_shift.bmrb new residue 1 adding: *1* *1* *Glu* *HA* *H* *4.33* *.* *1* old residue 1 adding: *2* *1* *Glu* *HB2* *H* *1.88* *.* *2* old residue 1 adding: *3* *1* *Glu* *HB3* *H* *2.04* *.* *2* old residue 1 adding: *4* *1* *Glu* *HG2* *H* *2.23* *.* *2* old residue 1 adding: *5* *1* *Glu* *HG3* *H* *2.23* *.* *2* old residue 1 adding: *6* *1* *Glu* *CA* *C* *56.2* *.* *1* old residue 1 adding: *7* *1* *Glu* *CB* *C* *30.1* *.* *1* old residue 1 adding: *8* *1* *Glu* *CG* *C* *36.0* *.* *1* new residue 2 adding: *9* *2* *Asp* *H* *H* *8.56* *.* *1* old residue 2 adding: *10* *2* *Asp* *HA* *H* *4.85* *.* *1* old residue 2 adding: *11* *2* *Asp* *HB2* *H* *2.52* *.* *2* old residue 2 adding: *12* *2* *Asp* *HB3* *H* *2.76* *.* *2* old residue 2 adding: *13* *2* *Asp* *CA* *C* *52.2* *.* *1* old residue 2 adding: *14* *2* *Asp* *CB* *C* *40.9* *.* *1* old residue 2 adding: *15* *2* *Asp* *N* *N* *123.0* *.* *1* new residue 3 adding: *16* *3* *Pro* *HA* *H* *4.38* *.* *1* old residue 3 adding: *17* *3* *Pro* *HB2* *H* *1.92* *.* *2* old residue 3 adding: *18* *3* *Pro* *HB3* *H* *2.29* *.* *2* old residue 3 adding: *19* *3* *Pro* *HG2* *H* *2.00* *.* *2* old residue 3 adding: *20* *3* *Pro* *HG3* *H* *2.00* *.* *2* old residue 3 adding: *21* *3* *Pro* *HD2* *H* *3.78* *.* *2* old residue 3 adding: *22* *3* *Pro* *HD3* *H* *3.86* *.* *2* old residue 3 adding: *23* *3* *Pro* *CA* *C* *63.5* *.* *1* old residue 3 adding: *24* *3* *Pro* *CB* *C* *32.1* *.* *1* old residue 3 adding: *25* *3* *Pro* *CG* *C* *27.1* *.* *1* old residue 3 adding: *26* *3* *Pro* *CD* *C* *50.7* *.* *1* new residue 4 adding: *27* *4* *Glu* *H* *H* *8.41* *.* *1* old residue 4 adding: *28* *4* *Glu* *HA* *H* *4.25* *.* *1* old residue 4 adding: *29* *4* *Glu* *HB2* *H* *1.89* *.* *2* old residue 4 adding: *30* *4* *Glu* *HB3* *H* *2.06* *.* *2* old residue 4 adding: *31* *4* *Glu* *HG2* *H* *2.19* *.* *2* old residue 4 adding: *32* *4* *Glu* *HG3* *H* *2.29* *.* *2* old residue 4 adding: *33* *4* *Glu* *CA* *C* *55.9* *.* *1* old residue 4 adding: *34* *4* *Glu* *CB* *C* *30.1* *.* *1* old residue 4 adding: *35* *4* *Glu* *CG* *C* *36.2* *.* *1* old residue 4 adding: *36* *4* *Glu* *N* *N* *118.3* *.* *1* new residue 5 adding: *37* *5* *Asp* *H* *H* *8.03* *.* *1* old residue 5 adding: *38* *5* *Asp* *HA* *H* *4.73* *.* *1* old residue 5 adding: *39* *5* *Asp* *HB2* *H* *2.84* *.* *2* old residue 5 adding: *40* *5* *Asp* *HB3* *H* *2.82* *.* *2* old residue 5 adding: *41* *5* *Asp* *CA* *C* *52.6* *.* *1* old residue 5 adding: *42* *5* *Asp* *CB* *C* *41.7* *.* *1* old residue 5 adding: *43* *5* *Asp* *N* *N* *123.7* *.* *1* new residue 6 adding: *44* *6* *Pro* *HA* *H* *3.94* *.* *1* old residue 6 adding: *45* *6* *Pro* *HB2* *H* *0.94* *.* *2* old residue 6 adding: *46* *6* *Pro* *HB3* *H* *1.61* *.* *2* old residue 6 adding: *47* *6* *Pro* *HG2* *H* *1.77* *.* *2* old residue 6 adding: *48* *6* *Pro* *HG3* *H* *1.84* *.* *2* old residue 6 adding: *49* *6* *Pro* *HD2* *H* *3.75* *.* *2* old residue 6 adding: *50* *6* *Pro* *HD3* *H* *3.88* *.* *2* old residue 6 adding: *51* *6* *Pro* *CA* *C* *64.9* *.* *1* old residue 6 adding: *52* *6* *Pro* *CB* *C* *31.0* *.* *1* old residue 6 adding: *53* *6* *Pro* *CG* *C* *27.3* *.* *1* old residue 6 adding: *54* *6* *Pro* *CD* *C* *50.8* *.* *1* new residue 7 adding: *55* *7* *Phe* *H* *H* *8.13* *.* *1* old residue 7 adding: *56* *7* *Phe* *HA* *H* *4.22* *.* *1* old residue 7 adding: *57* *7* *Phe* *HB2* *H* *3.05* *.* *2* old residue 7 adding: *58* *7* *Phe* *HB3* *H* *3.31* *.* *2* old residue 7 adding: *59* *7* *Phe* *HD1* *H* *7.33* *.* *3* old residue 7 adding: *60* *7* *Phe* *HD2* *H* *7.33* *.* *3* old residue 7 adding: *61* *7* *Phe* *HE1* *H* *7.37* *.* *3* old residue 7 adding: *62* *7* *Phe* *HE2* *H* *7.37* *.* *3* old residue 7 adding: *63* *7* *Phe* *HZ* *H* *7.32* *.* *1* old residue 7 adding: *64* *7* *Phe* *CA* *C* *60.8* *.* *1* old residue 7 adding: *65* *7* *Phe* *CB* *C* *38.3* *.* *1* old residue 7 adding: *66* *7* *Phe* *CD1* *C* *131.9* *.* *1* old residue 7 adding: *67* *7* *Phe* *CE1* *C* *131.2* *.* *1* old residue 7 adding: *68* *7* *Phe* *CZ* *C* *129.5* *.* *1* old residue 7 adding: *69* *7* *Phe* *N* *N* *117.2* *.* *1* new residue 8 adding: *70* *8* *Thr* *H* *H* *7.83* *.* *1* old residue 8 adding: *71* *8* *Thr* *HA* *H* *3.71* *.* *1* old residue 8 adding: *72* *8* *Thr* *HB* *H* *4.25* *.* *1* old residue 8 adding: *73* *8* *Thr* *HG2* *H* *1.19* *.* *1* old residue 8 adding: *74* *8* *Thr* *CA* *C* *66.2* *.* *1* old residue 8 adding: *75* *8* *Thr* *CB* *C* *68.3* *.* *1* old residue 8 adding: *76* *8* *Thr* *CG2* *C* *21.8* *.* *1* old residue 8 adding: *77* *8* *Thr* *N* *N* *115.7* *.* *1* new residue 9 adding: *78* *9* *Arg* *H* *H* *7.30* *.* *1* old residue 9 adding: *79* *9* *Arg* *HA* *H* *3.84* *.* *1* old residue 9 adding: *80* *9* *Arg* *HB2* *H* *1.69* *.* *2* old residue 9 adding: *81* *9* *Arg* *HB3* *H* *1.83* *.* *2* old residue 9 adding: *82* *9* *Arg* *HG2* *H* *1.58* *.* *2* old residue 9 adding: *83* *9* *Arg* *HG3* *H* *1.65* *.* *2* old residue 9 adding: *84* *9* *Arg* *HD2* *H* *3.04* *.* *2* old residue 9 adding: *85* *9* *Arg* *HD3* *H* *3.19* *.* *2* old residue 9 adding: *86* *9* *Arg* *HE* *H* *6.71* *.* *1* old residue 9 adding: *87* *9* *Arg* *CA* *C* *59.7* *.* *1* old residue 9 adding: *88* *9* *Arg* *CB* *C* *30.4* *.* *1* old residue 9 adding: *89* *9* *Arg* *CG* *C* *28.0* *.* *1* old residue 9 adding: *90* *9* *Arg* *CD* *C* *43.7* *.* *1* old residue 9 adding: *91* *9* *Arg* *N* *N* *121.4* *.* *1* old residue 9 adding: *92* *9* *Arg* *NE* *N* *85.1* *.* *1* new residue 10 adding: *93* *10* *Tyr* *H* *H* *8.48* *.* *1* old residue 10 adding: *94* *10* *Tyr* *HA* *H* *3.80* *.* *1* old residue 10 adding: *95* *10* *Tyr* *HB2* *H* *2.95* *.* *2* old residue 10 adding: *96* *10* *Tyr* *HB3* *H* *3.13* *.* *2* old residue 10 adding: *97* *10* *Tyr* *HD1* *H* *7.05* *.* *3* old residue 10 adding: *98* *10* *Tyr* *HD2* *H* *7.05* *.* *3* old residue 10 adding: *99* *10* *Tyr* *HE1* *H* *6.78* *.* *3* old residue 10 adding: *100* *10* *Tyr* *HE2* *H* *6.78* *.* *3* old residue 10 adding: *101* *10* *Tyr* *CA* *C* *61.4* *.* *1* old residue 10 adding: *102* *10* *Tyr* *CB* *C* *38.3* *.* *1* old residue 10 adding: *103* *10* *Tyr* *CD1* *C* *133.3* *.* *1* old residue 10 adding: *104* *10* *Tyr* *CE1* *C* *117.9* *.* *1* old residue 10 adding: *105* *10* *Tyr* *N* *N* *121.7* *.* *1* new residue 11 adding: *106* *11* *Ala* *H* *H* *8.50* *.* *1* old residue 11 adding: *107* *11* *Ala* *HA* *H* *3.70* *.* *1* old residue 11 adding: *108* *11* *Ala* *HB* *H* *1.14* *.* *1* old residue 11 adding: *109* *11* *Ala* *CA* *C* *54.4* *.* *1* old residue 11 adding: *110* *11* *Ala* *CB* *C* *17.3* *.* *1* old residue 11 adding: *111* *11* *Ala* *N* *N* *121.7* *.* *1* new residue 12 adding: *112* *12* *Leu* *H* *H* *7.69* *.* *1* old residue 12 adding: *113* *12* *Leu* *HA* *H* *3.92* *.* *1* old residue 12 adding: *114* *12* *Leu* *HB2* *H* *1.61* *.* *2* old residue 12 adding: *115* *12* *Leu* *HB3* *H* *1.62* *.* *2* old residue 12 adding: *116* *12* *Leu* *HG* *H* *1.42* *.* *1* old residue 12 adding: *117* *12* *Leu* *HD1* *H* *0.73* *.* *2* old residue 12 adding: *118* *12* *Leu* *HD2* *H* *0.83* *.* *2* old residue 12 adding: *119* *12* *Leu* *CA* *C* *57.1* *.* *1* old residue 12 adding: *120* *12* *Leu* *CB* *C* *41.5* *.* *1* old residue 12 adding: *121* *12* *Leu* *CG* *C* *26.4* *.* *1* old residue 12 adding: *122* *12* *Leu* *CD1* *C* *23.3* *.* *1* old residue 12 adding: *123* *12* *Leu* *CD2* *C* *24.5* *.* *1* old residue 12 adding: *124* *12* *Leu* *N* *N* *120.9* *.* *1* new residue 13 adding: *125* *13* *Ala* *H* *H* *8.01* *.* *1* old residue 13 adding: *126* *13* *Ala* *HA* *H* *3.50* *.* *1* old residue 13 adding: *127* *13* *Ala* *HB* *H* *0.55* *.* *1* old residue 13 adding: *128* *13* *Ala* *CA* *C* *55.4* *.* *1* old residue 13 adding: *129* *13* *Ala* *CB* *C* *17.4* *.* *1* old residue 13 adding: *130* *13* *Ala* *N* *N* *123.0* *.* *1* new residue 14 adding: *131* *14* *Gln* *H* *H* *7.66* *.* *1* old residue 14 adding: *132* *14* *Gln* *HA* *H* *3.91* *.* *1* old residue 14 adding: *133* *14* *Gln* *HB2* *H* *1.86* *.* *2* old residue 14 adding: *134* *14* *Gln* *HB3* *H* *1.89* *.* *2* old residue 14 adding: *135* *14* *Gln* *HG2* *H* *1.75* *.* *2* old residue 14 adding: *136* *14* *Gln* *HG3* *H* *2.01* *.* *2* old residue 14 adding: *137* *14* *Gln* *HE21* *H* *5.54* *.* *2* old residue 14 adding: *138* *14* *Gln* *HE22* *H* *5.21* *.* *2* old residue 14 adding: *139* *14* *Gln* *CA* *C* *58.2* *.* *1* old residue 14 adding: *140* *14* *Gln* *CB* *C* *27.7* *.* *1* old residue 14 adding: *141* *14* *Gln* *CG* *C* *32.2* *.* *1* old residue 14 adding: *142* *14* *Gln* *N* *N* *114.0* *.* *1* old residue 14 adding: *143* *14* *Gln* *NE2* *N* *105.5* *.* *1* new residue 15 adding: *144* *15* *Glu* *H* *H* *7.90* *.* *1* old residue 15 adding: *145* *15* *Glu* *HA* *H* *3.90* *.* *1* old residue 15 adding: *146* *15* *Glu* *HB2* *H* *1.96* *.* *2* old residue 15 adding: *147* *15* *Glu* *HB3* *H* *1.96* *.* *2* old residue 15 adding: *148* *15* *Glu* *HG2* *H* *2.10* *.* *2* old residue 15 adding: *149* *15* *Glu* *HG3* *H* *2.10* *.* *2* old residue 15 adding: *150* *15* *Glu* *CA* *C* *58.8* *.* *1* old residue 15 adding: *151* *15* *Glu* *CB* *C* *28.6* *.* *1* old residue 15 adding: *152* *15* *Glu* *CG* *C* *35.5* *.* *1* old residue 15 adding: *153* *15* *Glu* *N* *N* *122.4* *.* *1* new residue 16 adding: *154* *16* *His* *H* *H* *8.22* *.* *1* old residue 16 adding: *155* *16* *His* *HA* *H* *4.52* *.* *1* old residue 16 adding: *156* *16* *His* *HB2* *H* *2.97* *.* *2* old residue 16 adding: *157* *16* *His* *HB3* *H* *3.21* *.* *2* old residue 16 adding: *158* *16* *His* *HD2* *H* *6.41* *.* *1* old residue 16 adding: *159* *16* *His* *HE1* *H* *7.64* *.* *1* old residue 16 adding: *160* *16* *His* *CA* *C* *59.7* *.* *1* old residue 16 adding: *161* *16* *His* *CB* *C* *29.6* *.* *1* old residue 16 adding: *162* *16* *His* *CD2* *C* *118.6* *.* *1* old residue 16 adding: *163* *16* *His* *CE1* *C* *139.2* *.* *1* old residue 16 adding: *164* *16* *His* *N* *N* *119.1* *.* *1* new residue 17 adding: *165* *17* *Leu* *H* *H* *8.09* *.* *1* old residue 17 adding: *166* *17* *Leu* *HA* *H* *3.87* *.* *1* old residue 17 adding: *167* *17* *Leu* *HB2* *H* *1.72* *.* *2* old residue 17 adding: *168* *17* *Leu* *HB3* *H* *1.72* *.* *2* old residue 17 adding: *169* *17* *Leu* *HG* *H* *1.65* *.* *1* old residue 17 adding: *170* *17* *Leu* *HD1* *H* *0.97* *.* *2* old residue 17 adding: *171* *17* *Leu* *HD2* *H* *0.92* *.* *2* old residue 17 adding: *172* *17* *Leu* *CA* *C* *57.9* *.* *1* old residue 17 adding: *173* *17* *Leu* *CB* *C* *41.4* *.* *1* old residue 17 adding: *174* *17* *Leu* *CG* *C* *26.5* *.* *1* old residue 17 adding: *175* *17* *Leu* *CD1* *C* *24.9* *.* *1* old residue 17 adding: *176* *17* *Leu* *CD2* *C* *24.4* *.* *1* old residue 17 adding: *177* *17* *Leu* *N* *N* *120.5* *.* *1* new residue 18 adding: *178* *18* *Lys* *H* *H* *7.96* *.* *1* old residue 18 adding: *179* *18* *Lys* *HA* *H* *4.03* *.* *1* old residue 18 adding: *180* *18* *Lys* *HB2* *H* *1.77* *.* *2* old residue 18 adding: *181* *18* *Lys* *HB3* *H* *1.77* *.* *2* old residue 18 adding: *182* *18* *Lys* *HG2* *H* *1.26* *.* *2* old residue 18 adding: *183* *18* *Lys* *HG3* *H* *1.45* *.* *2* old residue 18 adding: *184* *18* *Lys* *HD2* *H* *1.56* *.* *2* old residue 18 adding: *185* *18* *Lys* *HD3* *H* *1.58* *.* *2* old residue 18 adding: *186* *18* *Lys* *HE2* *H* *2.85* *.* *2* old residue 18 adding: *187* *18* *Lys* *HE3* *H* *2.84* *.* *2* old residue 18 adding: *188* *18* *Lys* *CA* *C* *58.4* *.* *1* old residue 18 adding: *189* *18* *Lys* *CB* *C* *31.8* *.* *1* old residue 18 adding: *190* *18* *Lys* *CG* *C* *24.7* *.* *1* old residue 18 adding: *191* *18* *Lys* *CD* *C* *28.9* *.* *1* old residue 18 adding: *192* *18* *Lys* *CE* *C* *41.8* *.* *1* old residue 18 adding: *193* *18* *Lys* *N* *N* *121.0* *.* *1* new residue 19 adding: *194* *19* *His* *H* *H* *7.41* *.* *1* old residue 19 adding: *195* *19* *His* *HA* *H* *4.72* *.* *1* old residue 19 adding: *196* *19* *His* *HB2* *H* *3.04* *.* *2* old residue 19 adding: *197* *19* *His* *HB3* *H* *3.58* *.* *2* old residue 19 adding: *198* *19* *His* *HD2* *H* *7.24* *.* *1* old residue 19 adding: *199* *19* *His* *CA* *C* *54.7* *.* *1* old residue 19 adding: *200* *19* *His* *CB* *C* *28.5* *.* *1* old residue 19 adding: *201* *19* *His* *CD2* *C* *120.0* *.* *1* old residue 19 adding: *202* *19* *His* *N* *N* *115.8* *.* *1* new residue 20 adding: *203* *20* *Asp* *H* *H* *8.01* *.* *1* old residue 20 adding: *204* *20* *Asp* *HA* *H* *4.37* *.* *1* old residue 20 adding: *205* *20* *Asp* *HB2* *H* *2.61* *.* *2* old residue 20 adding: *206* *20* *Asp* *HB3* *H* *3.14* *.* *2* old residue 20 adding: *207* *20* *Asp* *CA* *C* *55.6* *.* *1* old residue 20 adding: *208* *20* *Asp* *CB* *C* *39.6* *.* *1* old residue 20 adding: *209* *20* *Asp* *N* *N* *115.9* *.* *1* new residue 21 adding: *210* *21* *Asn* *H* *H* *8.45* *.* *1* old residue 21 adding: *211* *21* *Asn* *HA* *H* *5.13* *.* *1* old residue 21 adding: *212* *21* *Asn* *HB2* *H* *2.65* *.* *2* old residue 21 adding: *213* *21* *Asn* *HB3* *H* *3.06* *.* *2* old residue 21 adding: *214* *21* *Asn* *HD21* *H* *6.78* *.* *2* old residue 21 adding: *215* *21* *Asn* *HD22* *H* *7.82* *.* *2* old residue 21 adding: *216* *21* *Asn* *CA* *C* *50.6* *.* *1* old residue 21 adding: *217* *21* *Asn* *CB* *C* *37.0* *.* *1* old residue 21 adding: *218* *21* *Asn* *N* *N* *118.7* *.* *1* old residue 21 adding: *219* *21* *Asn* *ND2* *N* *112.2* *.* *1* new residue 22 adding: *220* *22* *Ala* *H* *H* *8.01* *.* *1* old residue 22 adding: *221* *22* *Ala* *HA* *H* *3.84* *.* *1* old residue 22 adding: *222* *22* *Ala* *HB* *H* *1.41* *.* *1* old residue 22 adding: *223* *22* *Ala* *CA* *C* *55.3* *.* *1* old residue 22 adding: *224* *22* *Ala* *CB* *C* *18.3* *.* *1* old residue 22 adding: *225* *22* *Ala* *N* *N* *123.3* *.* *1* new residue 23 adding: *226* *23* *Ser* *H* *H* *8.67* *.* *1* old residue 23 adding: *227* *23* *Ser* *HA* *H* *4.07* *.* *1* old residue 23 adding: *228* *23* *Ser* *HB2* *H* *3.89* *.* *2* old residue 23 adding: *229* *23* *Ser* *HB3* *H* *3.87* *.* *2* old residue 23 adding: *230* *23* *Ser* *CA* *C* *61.8* *.* *1* old residue 23 adding: *231* *23* *Ser* *CB* *C* *61.9* *.* *1* old residue 23 adding: *232* *23* *Ser* *N* *N* *112.5* *.* *1* new residue 24 adding: *233* *24* *Arg* *H* *H* *7.23* *.* *1* old residue 24 adding: *234* *24* *Arg* *HA* *H* *3.96* *.* *1* old residue 24 adding: *235* *24* *Arg* *HB2* *H* *0.90* *.* *2* old residue 24 adding: *236* *24* *Arg* *HB3* *H* *1.13* *.* *2* old residue 24 adding: *237* *24* *Arg* *HG2* *H* *1.03* *.* *2* old residue 24 adding: *238* *24* *Arg* *HG3* *H* *1.16* *.* *2* old residue 24 adding: *239* *24* *Arg* *HD2* *H* *2.79* *.* *2* old residue 24 adding: *240* *24* *Arg* *HD3* *H* *2.93* *.* *2* old residue 24 adding: *241* *24* *Arg* *CA* *C* *57.0* *.* *1* old residue 24 adding: *242* *24* *Arg* *CB* *C* *29.1* *.* *1* old residue 24 adding: *243* *24* *Arg* *CG* *C* *25.9* *.* *1* old residue 24 adding: *244* *24* *Arg* *CD* *C* *42.2* *.* *1* old residue 24 adding: *245* *24* *Arg* *N* *N* *122.3* *.* *1* new residue 25 adding: *246* *25* *Ala* *H* *H* *7.34* *.* *1* old residue 25 adding: *247* *25* *Ala* *HA* *H* *3.57* *.* *1* old residue 25 adding: *248* *25* *Ala* *HB* *H* *1.25* *.* *1* old residue 25 adding: *249* *25* *Ala* *CA* *C* *55.3* *.* *1* old residue 25 adding: *250* *25* *Ala* *CB* *C* *18.7* *.* *1* old residue 25 adding: *251* *25* *Ala* *N* *N* *120.2* *.* *1* new residue 26 adding: *252* *26* *Leu* *H* *H* *8.42* *.* *1* old residue 26 adding: *253* *26* *Leu* *HA* *H* *3.80* *.* *1* old residue 26 adding: *254* *26* *Leu* *HB2* *H* *1.47* *.* *2* old residue 26 adding: *255* *26* *Leu* *HB3* *H* *1.86* *.* *2* old residue 26 adding: *256* *26* *Leu* *HG* *H* *1.37* *.* *1* old residue 26 adding: *257* *26* *Leu* *HD1* *H* *0.66* *.* *2* old residue 26 adding: *258* *26* *Leu* *HD2* *H* *0.87* *.* *2* old residue 26 adding: *259* *26* *Leu* *CA* *C* *58.3* *.* *1* old residue 26 adding: *260* *26* *Leu* *CB* *C* *41.8* *.* *1* old residue 26 adding: *261* *26* *Leu* *CG* *C* *26.4* *.* *1* old residue 26 adding: *262* *26* *Leu* *CD1* *C* *24.3* *.* *1* old residue 26 adding: *263* *26* *Leu* *CD2* *C* *25.5* *.* *1* old residue 26 adding: *264* *26* *Leu* *N* *N* *116.5* *.* *1* new residue 27 adding: *265* *27* *Ala* *H* *H* *7.19* *.* *1* old residue 27 adding: *266* *27* *Ala* *HA* *H* *4.12* *.* *1* old residue 27 adding: *267* *27* *Ala* *HB* *H* *1.41* *.* *1* old residue 27 adding: *268* *27* *Ala* *CA* *C* *54.7* *.* *1* old residue 27 adding: *269* *27* *Ala* *CB* *C* *18.0* *.* *1* old residue 27 adding: *270* *27* *Ala* *N* *N* *118.2* *.* *1* new residue 28 adding: *271* *28* *Leu* *H* *H* *7.50* *.* *1* old residue 28 adding: *272* *28* *Leu* *HA* *H* *4.07* *.* *1* old residue 28 adding: *273* *28* *Leu* *HB2* *H* *1.67* *.* *2* old residue 28 adding: *274* *28* *Leu* *HB3* *H* *1.11* *.* *2* old residue 28 adding: *275* *28* *Leu* *HG* *H* *1.63* *.* *1* old residue 28 adding: *276* *28* *Leu* *HD1* *H* *0.74* *.* *2* old residue 28 adding: *277* *28* *Leu* *HD2* *H* *0.86* *.* *2* old residue 28 adding: *278* *28* *Leu* *CA* *C* *57.6* *.* *1* old residue 28 adding: *279* *28* *Leu* *CB* *C* *43.1* *.* *1* old residue 28 adding: *280* *28* *Leu* *CG* *C* *27.0* *.* *1* old residue 28 adding: *281* *28* *Leu* *CD1* *C* *26.1* *.* *1* old residue 28 adding: *282* *28* *Leu* *CD2* *C* *23.1* *.* *1* old residue 28 adding: *283* *28* *Leu* *N* *N* *118.3* *.* *1* new residue 29 adding: *284* *29* *Phe* *H* *H* *8.69* *.* *1* old residue 29 adding: *285* *29* *Phe* *HA* *H* *4.63* *.* *1* old residue 29 adding: *286* *29* *Phe* *HB2* *H* *3.03* *.* *2* old residue 29 adding: *287* *29* *Phe* *HB3* *H* *3.08* *.* *2* old residue 29 adding: *288* *29* *Phe* *HD1* *H* *7.00* *.* *3* old residue 29 adding: *289* *29* *Phe* *HD2* *H* *7.00* *.* *3* old residue 29 adding: *290* *29* *Phe* *HE1* *H* *7.01* *.* *3* old residue 29 adding: *291* *29* *Phe* *HE2* *H* *7.01* *.* *3* old residue 29 adding: *292* *29* *Phe* *HZ* *H* *6.72* *.* *1* old residue 29 adding: *293* *29* *Phe* *CA* *C* *58.7* *.* *1* old residue 29 adding: *294* *29* *Phe* *CB* *C* *40.3* *.* *1* old residue 29 adding: *295* *29* *Phe* *CD1* *C* *130.0* *.* *1* old residue 29 adding: *296* *29* *Phe* *CE1* *C* *130.7* *.* *1* old residue 29 adding: *297* *29* *Phe* *CZ* *C* *128.8* *.* *1* old residue 29 adding: *298* *29* *Phe* *N* *N* *119.0* *.* *1* new residue 30 adding: *299* *30* *Glu* *H* *H* *8.99* *.* *1* old residue 30 adding: *300* *30* *Glu* *HA* *H* *3.79* *.* *1* old residue 30 adding: *301* *30* *Glu* *HB2* *H* *1.88* *.* *2* old residue 30 adding: *302* *30* *Glu* *HB3* *H* *2.17* *.* *2* old residue 30 adding: *303* *30* *Glu* *HG2* *H* *2.18* *.* *2* old residue 30 adding: *304* *30* *Glu* *HG3* *H* *2.67* *.* *2* old residue 30 adding: *305* *30* *Glu* *CA* *C* *60.1* *.* *1* old residue 30 adding: *306* *30* *Glu* *CB* *C* *29.1* *.* *1* old residue 30 adding: *307* *30* *Glu* *CG* *C* *37.9* *.* *1* old residue 30 adding: *308* *30* *Glu* *N* *N* *117.4* *.* *1* new residue 31 adding: *309* *31* *Glu* *H* *H* *7.83* *.* *1* old residue 31 adding: *310* *31* *Glu* *HA* *H* *4.16* *.* *1* old residue 31 adding: *311* *31* *Glu* *HB2* *H* *2.13* *.* *2* old residue 31 adding: *312* *31* *Glu* *HB3* *H* *2.21* *.* *2* old residue 31 adding: *313* *31* *Glu* *HG2* *H* *2.36* *.* *2* old residue 31 adding: *314* *31* *Glu* *HG3* *H* *2.36* *.* *2* old residue 31 adding: *315* *31* *Glu* *CA* *C* *58.8* *.* *1* old residue 31 adding: *316* *31* *Glu* *CB* *C* *29.9* *.* *1* old residue 31 adding: *317* *31* *Glu* *CG* *C* *36.6* *.* *1* old residue 31 adding: *318* *31* *Glu* *N* *N* *119.5* *.* *1* new residue 32 adding: *319* *32* *Leu* *H* *H* *7.92* *.* *1* old residue 32 adding: *320* *32* *Leu* *HA* *H* *4.13* *.* *1* old residue 32 adding: *321* *32* *Leu* *HB2* *H* *1.63* *.* *2* old residue 32 adding: *322* *32* *Leu* *HB3* *H* *2.28* *.* *2* old residue 32 adding: *323* *32* *Leu* *HG* *H* *1.66* *.* *1* old residue 32 adding: *324* *32* *Leu* *HD1* *H* *0.99* *.* *2* old residue 32 adding: *325* *32* *Leu* *HD2* *H* *0.88* *.* *2* old residue 32 adding: *326* *32* *Leu* *CA* *C* *58.2* *.* *1* old residue 32 adding: *327* *32* *Leu* *CB* *C* *43.0* *.* *1* old residue 32 adding: *328* *32* *Leu* *CG* *C* *28.3* *.* *1* old residue 32 adding: *329* *32* *Leu* *CD1* *C* *24.4* *.* *1* old residue 32 adding: *330* *32* *Leu* *CD2* *C* *24.7* *.* *1* old residue 32 adding: *331* *32* *Leu* *N* *N* *122.0* *.* *1* new residue 33 adding: *332* *33* *Val* *H* *H* *7.46* *.* *1* old residue 33 adding: *333* *33* *Val* *HA* *H* *3.59* *.* *1* old residue 33 adding: *334* *33* *Val* *HB* *H* *2.03* *.* *1* old residue 33 adding: *335* *33* *Val* *HG1* *H* *0.92* *.* *2* old residue 33 adding: *336* *33* *Val* *HG2* *H* *0.75* *.* *2* old residue 33 adding: *337* *33* *Val* *CA* *C* *65.8* *.* *1* old residue 33 adding: *338* *33* *Val* *CB* *C* *31.5* *.* *1* old residue 33 adding: *339* *33* *Val* *CG1* *C* *21.5* *.* *1* old residue 33 adding: *340* *33* *Val* *CG2* *C* *22.1* *.* *1* old residue 33 adding: *341* *33* *Val* *N* *N* *116.0* *.* *1* new residue 34 adding: *342* *34* *Glu* *H* *H* *7.21* *.* *1* old residue 34 adding: *343* *34* *Glu* *HA* *H* *4.13* *.* *1* old residue 34 adding: *344* *34* *Glu* *HB2* *H* *2.20* *.* *2* old residue 34 adding: *345* *34* *Glu* *HB3* *H* *2.21* *.* *2* old residue 34 adding: *346* *34* *Glu* *HG2* *H* *2.21* *.* *2* old residue 34 adding: *347* *34* *Glu* *HG3* *H* *2.37* *.* *2* old residue 34 adding: *348* *34* *Glu* *CA* *C* *58.5* *.* *1* old residue 34 adding: *349* *34* *Glu* *CB* *C* *29.9* *.* *1* old residue 34 adding: *350* *34* *Glu* *CG* *C* *36.0* *.* *1* old residue 34 adding: *351* *34* *Glu* *N* *N* *117.4* *.* *1* new residue 35 adding: *352* *35* *Thr* *H* *H* *9.10* *.* *1* old residue 35 adding: *353* *35* *Thr* *HA* *H* *4.18* *.* *1* old residue 35 adding: *354* *35* *Thr* *HB* *H* *4.31* *.* *1* old residue 35 adding: *355* *35* *Thr* *HG2* *H* *1.29* *.* *1* old residue 35 adding: *356* *35* *Thr* *CA* *C* *63.9* *.* *1* old residue 35 adding: *357* *35* *Thr* *CB* *C* *69.3* *.* *1* old residue 35 adding: *358* *35* *Thr* *CG2* *C* *20.8* *.* *1* old residue 35 adding: *359* *35* *Thr* *N* *N* *109.9* *.* *1* new residue 36 adding: *360* *36* *Asp* *H* *H* *8.63* *.* *1* old residue 36 adding: *361* *36* *Asp* *HA* *H* *5.30* *.* *1* old residue 36 adding: *362* *36* *Asp* *HB2* *H* *2.67* *.* *2* old residue 36 adding: *363* *36* *Asp* *HB3* *H* *2.52* *.* *2* old residue 36 adding: *364* *36* *Asp* *CA* *C* *52.7* *.* *1* old residue 36 adding: *365* *36* *Asp* *CB* *C* *42.4* *.* *1* old residue 36 adding: *366* *36* *Asp* *N* *N* *122.8* *.* *1* new residue 37 adding: *367* *37* *Pro* *HA* *H* *4.56* *.* *1* old residue 37 adding: *368* *37* *Pro* *HB2* *H* *2.71* *.* *2* old residue 37 adding: *369* *37* *Pro* *HB3* *H* *2.03* *.* *2* old residue 37 adding: *370* *37* *Pro* *HG2* *H* *2.09* *.* *2* old residue 37 adding: *371* *37* *Pro* *HG3* *H* *1.94* *.* *2* old residue 37 adding: *372* *37* *Pro* *HD2* *H* *3.34* *.* *2* old residue 37 adding: *373* *37* *Pro* *HD3* *H* *3.67* *.* *2* old residue 37 adding: *374* *37* *Pro* *CA* *C* *64.4* *.* *1* old residue 37 adding: *375* *37* *Pro* *CB* *C* *31.1* *.* *1* old residue 37 adding: *376* *37* *Pro* *CG* *C* *27.1* *.* *1* old residue 37 adding: *377* *37* *Pro* *CD* *C* *50.4* *.* *1* new residue 38 adding: *378* *38* *Asp* *H* *H* *8.63* *.* *1* old residue 38 adding: *379* *38* *Asp* *HA* *H* *4.57* *.* *1* old residue 38 adding: *380* *38* *Asp* *HB2* *H* *2.73* *.* *2* old residue 38 adding: *381* *38* *Asp* *HB3* *H* *2.73* *.* *2* old residue 38 adding: *382* *38* *Asp* *CA* *C* *53.8* *.* *1* old residue 38 adding: *383* *38* *Asp* *CB* *C* *39.5* *.* *1* old residue 38 adding: *384* *38* *Asp* *N* *N* *113.7* *.* *1* new residue 39 adding: *385* *39* *Tyr* *H* *H* *8.11* *.* *1* old residue 39 adding: *386* *39* *Tyr* *HA* *H* *4.54* *.* *1* old residue 39 adding: *387* *39* *Tyr* *HB2* *H* *2.84* *.* *2* old residue 39 adding: *388* *39* *Tyr* *HB3* *H* *3.47* *.* *2* old residue 39 adding: *389* *39* *Tyr* *HD1* *H* *7.25* *.* *3* old residue 39 adding: *390* *39* *Tyr* *HD2* *H* *7.25* *.* *3* old residue 39 adding: *391* *39* *Tyr* *HE1* *H* *6.35* *.* *3* old residue 39 adding: *392* *39* *Tyr* *HE2* *H* *6.35* *.* *3* old residue 39 adding: *393* *39* *Tyr* *CA* *C* *58.5* *.* *1* old residue 39 adding: *394* *39* *Tyr* *CB* *C* *36.5* *.* *1* old residue 39 adding: *395* *39* *Tyr* *CD1* *C* *133.4* *.* *1* old residue 39 adding: *396* *39* *Tyr* *CE1* *C* *117.4* *.* *1* old residue 39 adding: *397* *39* *Tyr* *N* *N* *123.7* *.* *1* new residue 40 adding: *398* *40* *Val* *H* *H* *7.88* *.* *1* old residue 40 adding: *399* *40* *Val* *HA* *H* *3.77* *.* *1* old residue 40 adding: *400* *40* *Val* *HB* *H* *1.87* *.* *1* old residue 40 adding: *401* *40* *Val* *HG1* *H* *0.81* *.* *2* old residue 40 adding: *402* *40* *Val* *HG2* *H* *0.92* *.* *2* old residue 40 adding: *403* *40* *Val* *CA* *C* *65.0* *.* *1* old residue 40 adding: *404* *40* *Val* *CB* *C* *32.5* *.* *1* old residue 40 adding: *405* *40* *Val* *CG1* *C* *20.3* *.* *1* old residue 40 adding: *406* *40* *Val* *CG2* *C* *23.1* *.* *1* old residue 40 adding: *407* *40* *Val* *N* *N* *128.1* *.* *1* new residue 41 adding: *408* *41* *Gly* *HA2* *H* *3.41* *.* *2* old residue 41 adding: *409* *41* *Gly* *H* *H* *7.53* *.* *1* old residue 41 adding: *410* *41* *Gly* *HA3* *H* *3.88* *.* *2* old residue 41 adding: *411* *41* *Gly* *CA* *C* *46.4* *.* *1* old residue 41 adding: *412* *41* *Gly* *N* *N* *105.9* *.* *1* new residue 42 adding: *413* *42* *Thr* *H* *H* *7.15* *.* *1* old residue 42 adding: *414* *42* *Thr* *HA* *H* *3.58* *.* *1* old residue 42 adding: *415* *42* *Thr* *HB* *H* *3.27* *.* *1* old residue 42 adding: *416* *42* *Thr* *HG1* *H* *5.58* *.* *1* old residue 42 adding: *417* *42* *Thr* *HG2* *H* *1.08* *.* *1* old residue 42 adding: *418* *42* *Thr* *CA* *C* *65.6* *.* *1* old residue 42 adding: *419* *42* *Thr* *CB* *C* *68.9* *.* *1* old residue 42 adding: *420* *42* *Thr* *CG2* *C* *25.5* *.* *1* old residue 42 adding: *421* *42* *Thr* *N* *N* *111.9* *.* *1* new residue 43 adding: *422* *43* *Tyr* *H* *H* *7.04* *.* *1* old residue 43 adding: *423* *43* *Tyr* *HA* *H* *3.46* *.* *1* old residue 43 adding: *424* *43* *Tyr* *HB2* *H* *2.93* *.* *2* old residue 43 adding: *425* *43* *Tyr* *HB3* *H* *3.02* *.* *2* old residue 43 adding: *426* *43* *Tyr* *HD1* *H* *7.56* *.* *3* old residue 43 adding: *427* *43* *Tyr* *HD2* *H* *7.56* *.* *3* old residue 43 adding: *428* *43* *Tyr* *HE1* *H* *6.88* *.* *3* old residue 43 adding: *429* *43* *Tyr* *HE2* *H* *6.88* *.* *3* old residue 43 adding: *430* *43* *Tyr* *CA* *C* *64.1* *.* *1* old residue 43 adding: *431* *43* *Tyr* *CB* *C* *38.3* *.* *1* old residue 43 adding: *432* *43* *Tyr* *CD1* *C* *132.9* *.* *1* old residue 43 adding: *433* *43* *Tyr* *CE1* *C* *118.4* *.* *1* old residue 43 adding: *434* *43* *Tyr* *N* *N* *113.5* *.* *1* new residue 44 adding: *435* *44* *Tyr* *H* *H* *9.77* *.* *1* old residue 44 adding: *436* *44* *Tyr* *HA* *H* *3.99* *.* *1* old residue 44 adding: *437* *44* *Tyr* *HB2* *H* *2.54* *.* *2* old residue 44 adding: *438* *44* *Tyr* *HB3* *H* *3.01* *.* *2* old residue 44 adding: *439* *44* *Tyr* *HD1* *H* *6.03* *.* *3* old residue 44 adding: *440* *44* *Tyr* *HD2* *H* *6.03* *.* *3* old residue 44 adding: *441* *44* *Tyr* *HE1* *H* *6.54* *.* *3* old residue 44 adding: *442* *44* *Tyr* *HE2* *H* *6.54* *.* *3* old residue 44 adding: *443* *44* *Tyr* *CA* *C* *61.9* *.* *1* old residue 44 adding: *444* *44* *Tyr* *CB* *C* *38.8* *.* *1* old residue 44 adding: *445* *44* *Tyr* *CD1* *C* *132.1* *.* *1* old residue 44 adding: *446* *44* *Tyr* *CE1* *C* *118.3* *.* *1* old residue 44 adding: *447* *44* *Tyr* *N* *N* *119.8* *.* *1* new residue 45 adding: *448* *45* *His* *H* *H* *6.38* *.* *1* old residue 45 adding: *449* *45* *His* *HA* *H* *3.77* *.* *1* old residue 45 adding: *450* *45* *His* *HB2* *H* *2.17* *.* *2* old residue 45 adding: *451* *45* *His* *HB3* *H* *2.66* *.* *2* old residue 45 adding: *452* *45* *His* *HD2* *H* *7.82* *.* *1* old residue 45 adding: *453* *45* *His* *HE1* *H* *7.95* *.* *1* old residue 45 adding: *454* *45* *His* *CA* *C* *58.5* *.* *1* old residue 45 adding: *455* *45* *His* *CB* *C* *31.6* *.* *1* old residue 45 adding: *456* *45* *His* *CD2* *C* *120.3* *.* *1* old residue 45 adding: *457* *45* *His* *CE1* *C* *139.2* *.* *1* old residue 45 adding: *458* *45* *His* *N* *N* *114.5* *.* *1* new residue 46 adding: *459* *46* *Leu* *H* *H* *8.36* *.* *1* old residue 46 adding: *460* *46* *Leu* *HA* *H* *3.66* *.* *1* old residue 46 adding: *461* *46* *Leu* *HB2* *H* *0.79* *.* *2* old residue 46 adding: *462* *46* *Leu* *HB3* *H* *1.48* *.* *2* old residue 46 adding: *463* *46* *Leu* *HG* *H* *1.17* *.* *1* old residue 46 adding: *464* *46* *Leu* *HD1* *H* *0.39* *.* *2* old residue 46 adding: *465* *46* *Leu* *HD2* *H* *0.70* *.* *2* old residue 46 adding: *466* *46* *Leu* *CA* *C* *57.1* *.* *1* old residue 46 adding: *467* *46* *Leu* *CB* *C* *40.8* *.* *1* old residue 46 adding: *468* *46* *Leu* *CG* *C* *26.7* *.* *1* old residue 46 adding: *469* *46* *Leu* *CD1* *C* *21.6* *.* *1* old residue 46 adding: *470* *46* *Leu* *CD2* *C* *25.8* *.* *1* old residue 46 adding: *471* *46* *Leu* *N* *N* *121.1* *.* *1* new residue 47 adding: *472* *47* *Gly* *HA2* *H* *3.35* *.* *2* old residue 47 adding: *473* *47* *Gly* *H* *H* *8.44* *.* *1* old residue 47 adding: *474* *47* *Gly* *HA3* *H* *3.53* *.* *2* old residue 47 adding: *475* *47* *Gly* *CA* *C* *47.2* *.* *1* old residue 47 adding: *476* *47* *Gly* *N* *N* *106.5* *.* *1* new residue 48 adding: *477* *48* *Lys* *H* *H* *7.97* *.* *1* old residue 48 adding: *478* *48* *Lys* *HA* *H* *3.80* *.* *1* old residue 48 adding: *479* *48* *Lys* *HB2* *H* *1.50* *.* *2* old residue 48 adding: *480* *48* *Lys* *HB3* *H* *1.83* *.* *2* old residue 48 adding: *481* *48* *Lys* *HG2* *H* *0.85* *.* *2* old residue 48 adding: *482* *48* *Lys* *HG3* *H* *1.17* *.* *2* old residue 48 adding: *483* *48* *Lys* *HD2* *H* *1.36* *.* *2* old residue 48 adding: *484* *48* *Lys* *HD3* *H* *1.51* *.* *2* old residue 48 adding: *485* *48* *Lys* *HE2* *H* *2.55* *.* *2* old residue 48 adding: *486* *48* *Lys* *HE3* *H* *2.81* *.* *2* old residue 48 adding: *487* *48* *Lys* *CA* *C* *58.2* *.* *1* old residue 48 adding: *488* *48* *Lys* *CB* *C* *31.6* *.* *1* old residue 48 adding: *489* *48* *Lys* *CG* *C* *23.4* *.* *1* old residue 48 adding: *490* *48* *Lys* *CD* *C* *28.2* *.* *1* old residue 48 adding: *491* *48* *Lys* *CE* *C* *41.8* *.* *1* old residue 48 adding: *492* *48* *Lys* *N* *N* *120.5* *.* *1* new residue 49 adding: *493* *49* *Leu* *H* *H* *7.80* *.* *1* old residue 49 adding: *494* *49* *Leu* *HA* *H* *4.17* *.* *1* old residue 49 adding: *495* *49* *Leu* *HB2* *H* *1.61* *.* *2* old residue 49 adding: *496* *49* *Leu* *HB3* *H* *1.86* *.* *2* old residue 49 adding: *497* *49* *Leu* *HG* *H* *1.60* *.* *1* old residue 49 adding: *498* *49* *Leu* *HD1* *H* *0.99* *.* *2* old residue 49 adding: *499* *49* *Leu* *HD2* *H* *0.96* *.* *2* old residue 49 adding: *500* *49* *Leu* *CA* *C* *57.5* *.* *1* old residue 49 adding: *501* *49* *Leu* *CB* *C* *41.0* *.* *1* old residue 49 adding: *502* *49* *Leu* *CG* *C* *27.0* *.* *1* old residue 49 adding: *503* *49* *Leu* *CD1* *C* *23.5* *.* *1* old residue 49 adding: *504* *49* *Leu* *CD2* *C* *26.2* *.* *1* old residue 49 adding: *505* *49* *Leu* *N* *N* *124.0* *.* *1* new residue 50 adding: *506* *50* *Tyr* *H* *H* *8.61* *.* *1* old residue 50 adding: *507* *50* *Tyr* *HA* *H* *4.42* *.* *1* old residue 50 adding: *508* *50* *Tyr* *HB2* *H* *2.91* *.* *2* old residue 50 adding: *509* *50* *Tyr* *HB3* *H* *3.39* *.* *2* old residue 50 adding: *510* *50* *Tyr* *HD1* *H* *6.54* *.* *3* old residue 50 adding: *511* *50* *Tyr* *HD2* *H* *6.54* *.* *3* old residue 50 adding: *512* *50* *Tyr* *HE1* *H* *6.72* *.* *3* old residue 50 adding: *513* *50* *Tyr* *HE2* *H* *6.72* *.* *3* old residue 50 adding: *514* *50* *Tyr* *CA* *C* *59.6* *.* *1* old residue 50 adding: *515* *50* *Tyr* *CB* *C* *35.6* *.* *1* old residue 50 adding: *516* *50* *Tyr* *CD1* *C* *129.6* *.* *1* old residue 50 adding: *517* *50* *Tyr* *CE1* *C* *118.9* *.* *1* old residue 50 adding: *518* *50* *Tyr* *N* *N* *119.0* *.* *1* new residue 51 adding: *519* *51* *Glu* *H* *H* *8.41* *.* *1* old residue 51 adding: *520* *51* *Glu* *HA* *H* *3.76* *.* *1* old residue 51 adding: *521* *51* *Glu* *HB2* *H* *2.24* *.* *2* old residue 51 adding: *522* *51* *Glu* *HB3* *H* *2.16* *.* *2* old residue 51 adding: *523* *51* *Glu* *HG2* *H* *1.89* *.* *2* old residue 51 adding: *524* *51* *Glu* *HG3* *H* *2.65* *.* *2* old residue 51 adding: *525* *51* *Glu* *CA* *C* *61.6* *.* *1* old residue 51 adding: *526* *51* *Glu* *CB* *C* *29.8* *.* *1* old residue 51 adding: *527* *51* *Glu* *CG* *C* *38.4* *.* *1* old residue 51 adding: *528* *51* *Glu* *N* *N* *118.6* *.* *1* new residue 52 adding: *529* *52* *Arg* *H* *H* *7.91* *.* *1* old residue 52 adding: *530* *52* *Arg* *HA* *H* *4.15* *.* *1* old residue 52 adding: *531* *52* *Arg* *HB2* *H* *2.17* *.* *2* old residue 52 adding: *532* *52* *Arg* *HB3* *H* *2.10* *.* *2* old residue 52 adding: *533* *52* *Arg* *HG2* *H* *1.67* *.* *2* old residue 52 adding: *534* *52* *Arg* *HG3* *H* *1.90* *.* *2* old residue 52 adding: *535* *52* *Arg* *HD2* *H* *3.13* *.* *2* old residue 52 adding: *536* *52* *Arg* *HD3* *H* *3.21* *.* *2* old residue 52 adding: *537* *52* *Arg* *CA* *C* *58.6* *.* *1* old residue 52 adding: *538* *52* *Arg* *CB* *C* *29.6* *.* *1* old residue 52 adding: *539* *52* *Arg* *CG* *C* *26.9* *.* *1* old residue 52 adding: *540* *52* *Arg* *CD* *C* *43.8* *.* *1* old residue 52 adding: *541* *52* *Arg* *N* *N* *122.2* *.* *1* new residue 53 adding: *542* *53* *Leu* *H* *H* *7.74* *.* *1* old residue 53 adding: *543* *53* *Leu* *HA* *H* *4.40* *.* *1* old residue 53 adding: *544* *53* *Leu* *HB2* *H* *1.84* *.* *2* old residue 53 adding: *545* *53* *Leu* *HB3* *H* *1.77* *.* *2* old residue 53 adding: *546* *53* *Leu* *HG* *H* *1.84* *.* *1* old residue 53 adding: *547* *53* *Leu* *HD1* *H* *0.91* *.* *2* old residue 53 adding: *548* *53* *Leu* *HD2* *H* *0.82* *.* *2* old residue 53 adding: *549* *53* *Leu* *CA* *C* *54.1* *.* *1* old residue 53 adding: *550* *53* *Leu* *CB* *C* *41.4* *.* *1* old residue 53 adding: *551* *53* *Leu* *CG* *C* *26.3* *.* *1* old residue 53 adding: *552* *53* *Leu* *CD1* *C* *26.5* *.* *1* old residue 53 adding: *553* *53* *Leu* *CD2* *C* *21.6* *.* *1* old residue 53 adding: *554* *53* *Leu* *N* *N* *119.4* *.* *1* new residue 54 adding: *555* *54* *Asp* *H* *H* *8.09* *.* *1* old residue 54 adding: *556* *54* *Asp* *HA* *H* *4.41* *.* *1* old residue 54 adding: *557* *54* *Asp* *HB2* *H* *2.69* *.* *2* old residue 54 adding: *558* *54* *Asp* *HB3* *H* *3.19* *.* *2* old residue 54 adding: *559* *54* *Asp* *CA* *C* *55.5* *.* *1* old residue 54 adding: *560* *54* *Asp* *CB* *C* *38.9* *.* *1* old residue 54 adding: *561* *54* *Asp* *N* *N* *116.3* *.* *1* new residue 55 adding: *562* *55* *Arg* *H* *H* *8.42* *.* *1* old residue 55 adding: *563* *55* *Arg* *HA* *H* *4.68* *.* *1* old residue 55 adding: *564* *55* *Arg* *HB2* *H* *1.45* *.* *2* old residue 55 adding: *565* *55* *Arg* *HB3* *H* *2.19* *.* *2* old residue 55 adding: *566* *55* *Arg* *HG2* *H* *1.55* *.* *2* old residue 55 adding: *567* *55* *Arg* *HG3* *H* *1.72* *.* *2* old residue 55 adding: *568* *55* *Arg* *HD2* *H* *2.87* *.* *2* old residue 55 adding: *569* *55* *Arg* *HD3* *H* *3.48* *.* *2* old residue 55 adding: *570* *55* *Arg* *HE* *H* *7.41* *.* *1* old residue 55 adding: *571* *55* *Arg* *CA* *C* *54.0* *.* *1* old residue 55 adding: *572* *55* *Arg* *CB* *C* *29.8* *.* *1* old residue 55 adding: *573* *55* *Arg* *CG* *C* *24.6* *.* *1* old residue 55 adding: *574* *55* *Arg* *CD* *C* *44.5* *.* *1* old residue 55 adding: *575* *55* *Arg* *N* *N* *120.8* *.* *1* old residue 55 adding: *576* *55* *Arg* *NE* *N* *83.1* *.* *1* new residue 56 adding: *577* *56* *Thr* *H* *H* *7.87* *.* *1* old residue 56 adding: *578* *56* *Thr* *HA* *H* *3.51* *.* *1* old residue 56 adding: *579* *56* *Thr* *HB* *H* *3.96* *.* *1* old residue 56 adding: *580* *56* *Thr* *HG2* *H* *1.22* *.* *1* old residue 56 adding: *581* *56* *Thr* *CA* *C* *67.5* *.* *1* old residue 56 adding: *582* *56* *Thr* *CB* *C* *68.0* *.* *1* old residue 56 adding: *583* *56* *Thr* *CG2* *C* *23.1* *.* *1* old residue 56 adding: *584* *56* *Thr* *N* *N* *117.3* *.* *1* new residue 57 adding: *585* *57* *Asp* *H* *H* *8.45* *.* *1* old residue 57 adding: *586* *57* *Asp* *HA* *H* *4.26* *.* *1* old residue 57 adding: *587* *57* *Asp* *HB2* *H* *2.56* *.* *2* old residue 57 adding: *588* *57* *Asp* *HB3* *H* *2.64* *.* *2* old residue 57 adding: *589* *57* *Asp* *CA* *C* *57.9* *.* *1* old residue 57 adding: *590* *57* *Asp* *CB* *C* *39.1* *.* *1* old residue 57 adding: *591* *57* *Asp* *N* *N* *120.3* *.* *1* new residue 58 adding: *592* *58* *Asp* *H* *H* *7.54* *.* *1* old residue 58 adding: *593* *58* *Asp* *HA* *H* *4.17* *.* *1* old residue 58 adding: *594* *58* *Asp* *HB2* *H* *1.41* *.* *2* old residue 58 adding: *595* *58* *Asp* *HB3* *H* *1.86* *.* *2* old residue 58 adding: *596* *58* *Asp* *CA* *C* *56.9* *.* *1* old residue 58 adding: *597* *58* *Asp* *CB* *C* *38.4* *.* *1* old residue 58 adding: *598* *58* *Asp* *N* *N* *120.2* *.* *1* new residue 59 adding: *599* *59* *Ala* *H* *H* *8.11* *.* *1* old residue 59 adding: *600* *59* *Ala* *HA* *H* *3.76* *.* *1* old residue 59 adding: *601* *59* *Ala* *HB* *H* *1.51* *.* *1* old residue 59 adding: *602* *59* *Ala* *CA* *C* *56.0* *.* *1* old residue 59 adding: *603* *59* *Ala* *CB* *C* *19.2* *.* *1* old residue 59 adding: *604* *59* *Ala* *N* *N* *124.7* *.* *1* new residue 60 adding: *605* *60* *Ile* *H* *H* *8.23* *.* *1* old residue 60 adding: *606* *60* *Ile* *HA* *H* *3.52* *.* *1* old residue 60 adding: *607* *60* *Ile* *HB* *H* *1.88* *.* *1* old residue 60 adding: *608* *60* *Ile* *HG12* *H* *0.94* *.* *2* old residue 60 adding: *609* *60* *Ile* *HG13* *H* *1.89* *.* *2* old residue 60 adding: *610* *60* *Ile* *HG2* *H* *0.99* *.* *1* old residue 60 adding: *611* *60* *Ile* *HD1* *H* *0.76* *.* *1* old residue 60 adding: *612* *60* *Ile* *CA* *C* *66.8* *.* *1* old residue 60 adding: *613* *60* *Ile* *CB* *C* *38.4* *.* *1* old residue 60 adding: *614* *60* *Ile* *CG1* *C* *31.2* *.* *1* old residue 60 adding: *615* *60* *Ile* *CG2* *C* *17.7* *.* *1* old residue 60 adding: *616* *60* *Ile* *CD1* *C* *14.1* *.* *1* old residue 60 adding: *617* *60* *Ile* *N* *N* *117.6* *.* *1* new residue 61 adding: *618* *61* *Asp* *H* *H* *7.75* *.* *1* old residue 61 adding: *619* *61* *Asp* *HA* *H* *4.44* *.* *1* old residue 61 adding: *620* *61* *Asp* *HB2* *H* *2.71* *.* *2* old residue 61 adding: *621* *61* *Asp* *HB3* *H* *2.74* *.* *2* old residue 61 adding: *622* *61* *Asp* *CA* *C* *57.1* *.* *1* old residue 61 adding: *623* *61* *Asp* *CB* *C* *40.5* *.* *1* old residue 61 adding: *624* *61* *Asp* *N* *N* *118.3* *.* *1* new residue 62 adding: *625* *62* *Thr* *H* *H* *8.04* *.* *1* old residue 62 adding: *626* *62* *Thr* *HA* *H* *4.07* *.* *1* old residue 62 adding: *627* *62* *Thr* *HB* *H* *4.25* *.* *1* old residue 62 adding: *628* *62* *Thr* *HG2* *H* *1.35* *.* *1* old residue 62 adding: *629* *62* *Thr* *CA* *C* *68.0* *.* *1* old residue 62 adding: *630* *62* *Thr* *CB* *C* *68.6* *.* *1* old residue 62 adding: *631* *62* *Thr* *CG2* *C* *22.3* *.* *1* old residue 62 adding: *632* *62* *Thr* *N* *N* *119.8* *.* *1* new residue 63 adding: *633* *63* *Tyr* *H* *H* *8.97* *.* *1* old residue 63 adding: *634* *63* *Tyr* *HA* *H* *4.48* *.* *1* old residue 63 adding: *635* *63* *Tyr* *HB2* *H* *3.23* *.* *2* old residue 63 adding: *636* *63* *Tyr* *HB3* *H* *2.89* *.* *2* old residue 63 adding: *637* *63* *Tyr* *HD1* *H* *6.74* *.* *3* old residue 63 adding: *638* *63* *Tyr* *HD2* *H* *6.74* *.* *3* old residue 63 adding: *639* *63* *Tyr* *HE1* *H* *6.71* *.* *3* old residue 63 adding: *640* *63* *Tyr* *HE2* *H* *6.71* *.* *3* old residue 63 adding: *641* *63* *Tyr* *CA* *C* *59.2* *.* *1* old residue 63 adding: *642* *63* *Tyr* *CB* *C* *37.7* *.* *1* old residue 63 adding: *643* *63* *Tyr* *CD1* *C* *129.2* *.* *1* old residue 63 adding: *644* *63* *Tyr* *CE1* *C* *119.0* *.* *1* old residue 63 adding: *645* *63* *Tyr* *N* *N* *121.7* *.* *1* new residue 64 adding: *646* *64* *Ala* *H* *H* *8.69* *.* *1* old residue 64 adding: *647* *64* *Ala* *HA* *H* *4.00* *.* *1* old residue 64 adding: *648* *64* *Ala* *HB* *H* *1.58* *.* *1* old residue 64 adding: *649* *64* *Ala* *CA* *C* *55.5* *.* *1* old residue 64 adding: *650* *64* *Ala* *CB* *C* *17.8* *.* *1* old residue 64 adding: *651* *64* *Ala* *N* *N* *119.4* *.* *1* new residue 65 adding: *652* *65* *Gln* *H* *H* *8.10* *.* *1* old residue 65 adding: *653* *65* *Gln* *HA* *H* *4.01* *.* *1* old residue 65 adding: *654* *65* *Gln* *HB2* *H* *2.33* *.* *2* old residue 65 adding: *655* *65* *Gln* *HB3* *H* *2.13* *.* *2* old residue 65 adding: *656* *65* *Gln* *HG2* *H* *2.42* *.* *2* old residue 65 adding: *657* *65* *Gln* *HG3* *H* *2.50* *.* *2* old residue 65 adding: *658* *65* *Gln* *HE21* *H* *6.89* *.* *2* old residue 65 adding: *659* *65* *Gln* *HE22* *H* *7.37* *.* *2* old residue 65 adding: *660* *65* *Gln* *CA* *C* *58.6* *.* *1* old residue 65 adding: *661* *65* *Gln* *CB* *C* *28.5* *.* *1* old residue 65 adding: *662* *65* *Gln* *CG* *C* *33.9* *.* *1* old residue 65 adding: *663* *65* *Gln* *N* *N* *119.6* *.* *1* old residue 65 adding: *664* *65* *Gln* *NE2* *N* *111.7* *.* *1* new residue 66 adding: *665* *66* *Gly* *HA2* *H* *3.08* *.* *2* old residue 66 adding: *666* *66* *Gly* *H* *H* *8.43* *.* *1* old residue 66 adding: *667* *66* *Gly* *HA3* *H* *2.52* *.* *2* old residue 66 adding: *668* *66* *Gly* *CA* *C* *46.8* *.* *1* old residue 66 adding: *669* *66* *Gly* *N* *N* *108.2* *.* *1* new residue 67 adding: *670* *67* *Ile* *H* *H* *8.57* *.* *1* old residue 67 adding: *671* *67* *Ile* *HA* *H* *3.32* *.* *1* old residue 67 adding: *672* *67* *Ile* *HB* *H* *1.90* *.* *1* old residue 67 adding: *673* *67* *Ile* *HG12* *H* *0.75* *.* *2* old residue 67 adding: *674* *67* *Ile* *HG13* *H* *1.98* *.* *2* old residue 67 adding: *675* *67* *Ile* *HG2* *H* *0.80* *.* *1* old residue 67 adding: *676* *67* *Ile* *HD1* *H* *0.76* *.* *1* old residue 67 adding: *677* *67* *Ile* *CA* *C* *65.9* *.* *1* old residue 67 adding: *678* *67* *Ile* *CB* *C* *38.4* *.* *1* old residue 67 adding: *679* *67* *Ile* *CG1* *C* *32.1* *.* *1* old residue 67 adding: *680* *67* *Ile* *CG2* *C* *16.1* *.* *1* old residue 67 adding: *681* *67* *Ile* *CD1* *C* *14.7* *.* *1* old residue 67 adding: *682* *67* *Ile* *N* *N* *123.5* *.* *1* new residue 68 adding: *683* *68* *Glu* *H* *H* *7.03* *.* *1* old residue 68 adding: *684* *68* *Glu* *HA* *H* *3.96* *.* *1* old residue 68 adding: *685* *68* *Glu* *HB2* *H* *2.10* *.* *2* old residue 68 adding: *686* *68* *Glu* *HB3* *H* *2.10* *.* *2* old residue 68 adding: *687* *68* *Glu* *HG2* *H* *2.31* *.* *2* old residue 68 adding: *688* *68* *Glu* *HG3* *H* *2.41* *.* *2* old residue 68 adding: *689* *68* *Glu* *CA* *C* *58.7* *.* *1* old residue 68 adding: *690* *68* *Glu* *CB* *C* *28.5* *.* *1* old residue 68 adding: *691* *68* *Glu* *CG* *C* *35.6* *.* *1* old residue 68 adding: *692* *68* *Glu* *N* *N* *116.5* *.* *1* new residue 69 adding: *693* *69* *Val* *H* *H* *7.44* *.* *1* old residue 69 adding: *694* *69* *Val* *HA* *H* *3.74* *.* *1* old residue 69 adding: *695* *69* *Val* *HB* *H* *1.87* *.* *1* old residue 69 adding: *696* *69* *Val* *HG1* *H* *0.90* *.* *2* old residue 69 adding: *697* *69* *Val* *HG2* *H* *1.00* *.* *2* old residue 69 adding: *698* *69* *Val* *CA* *C* *65.7* *.* *1* old residue 69 adding: *699* *69* *Val* *CB* *C* *32.0* *.* *1* old residue 69 adding: *700* *69* *Val* *CG1* *C* *20.9* *.* *1* old residue 69 adding: *701* *69* *Val* *CG2* *C* *21.5* *.* *1* old residue 69 adding: *702* *69* *Val* *N* *N* *119.5* *.* *1* new residue 70 adding: *703* *70* *Ala* *H* *H* *9.29* *.* *1* old residue 70 adding: *704* *70* *Ala* *HA* *H* *3.82* *.* *1* old residue 70 adding: *705* *70* *Ala* *HB* *H* *1.26* *.* *1* old residue 70 adding: *706* *70* *Ala* *CA* *C* *54.4* *.* *1* old residue 70 adding: *707* *70* *Ala* *CB* *C* *18.0* *.* *1* old residue 70 adding: *708* *70* *Ala* *N* *N* *122.5* *.* *1* new residue 71 adding: *709* *71* *Arg* *H* *H* *8.28* *.* *1* old residue 71 adding: *710* *71* *Arg* *HA* *H* *3.87* *.* *1* old residue 71 adding: *711* *71* *Arg* *HB2* *H* *1.91* *.* *2* old residue 71 adding: *712* *71* *Arg* *HB3* *H* *1.85* *.* *2* old residue 71 adding: *713* *71* *Arg* *HG2* *H* *1.58* *.* *2* old residue 71 adding: *714* *71* *Arg* *HG3* *H* *1.82* *.* *2* old residue 71 adding: *715* *71* *Arg* *HD2* *H* *3.17* *.* *2* old residue 71 adding: *716* *71* *Arg* *HD3* *H* *3.17* *.* *2* old residue 71 adding: *717* *71* *Arg* *HE* *H* *7.27* *.* *1* old residue 71 adding: *718* *71* *Arg* *CA* *C* *59.5* *.* *1* old residue 71 adding: *719* *71* *Arg* *CB* *C* *30.0* *.* *1* old residue 71 adding: *720* *71* *Arg* *CG* *C* *27.7* *.* *1* old residue 71 adding: *721* *71* *Arg* *CD* *C* *43.1* *.* *1* old residue 71 adding: *722* *71* *Arg* *N* *N* *116.9* *.* *1* old residue 71 adding: *723* *71* *Arg* *NE* *N* *84.1* *.* *1* new residue 72 adding: *724* *72* *Glu* *H* *H* *7.39* *.* *1* old residue 72 adding: *725* *72* *Glu* *HA* *H* *4.30* *.* *1* old residue 72 adding: *726* *72* *Glu* *HB2* *H* *2.10* *.* *2* old residue 72 adding: *727* *72* *Glu* *HB3* *H* *2.19* *.* *2* old residue 72 adding: *728* *72* *Glu* *HG2* *H* *2.32* *.* *2* old residue 72 adding: *729* *72* *Glu* *HG3* *H* *2.39* *.* *2* old residue 72 adding: *730* *72* *Glu* *CA* *C* *57.7* *.* *1* old residue 72 adding: *731* *72* *Glu* *CB* *C* *30.5* *.* *1* old residue 72 adding: *732* *72* *Glu* *CG* *C* *35.6* *.* *1* old residue 72 adding: *733* *72* *Glu* *N* *N* *116.8* *.* *1* new residue 73 adding: *734* *73* *Glu* *H* *H* *8.49* *.* *1* old residue 73 adding: *735* *73* *Glu* *HA* *H* *4.55* *.* *1* old residue 73 adding: *736* *73* *Glu* *HB2* *H* *2.32* *.* *2* old residue 73 adding: *737* *73* *Glu* *HB3* *H* *1.78* *.* *2* old residue 73 adding: *738* *73* *Glu* *HG2* *H* *2.37* *.* *2* old residue 73 adding: *739* *73* *Glu* *HG3* *H* *2.47* *.* *2* old residue 73 adding: *740* *73* *Glu* *CA* *C* *55.9* *.* *1* old residue 73 adding: *741* *73* *Glu* *CB* *C* *30.8* *.* *1* old residue 73 adding: *742* *73* *Glu* *CG* *C* *34.9* *.* *1* old residue 73 adding: *743* *73* *Glu* *N* *N* *115.0* *.* *1* new residue 74 adding: *744* *74* *Gly* *HA2* *H* *4.45* *.* *2* old residue 74 adding: *745* *74* *Gly* *H* *H* *8.07* *.* *1* old residue 74 adding: *746* *74* *Gly* *HA3* *H* *3.83* *.* *2* old residue 74 adding: *747* *74* *Gly* *CA* *C* *44.6* *.* *1* old residue 74 adding: *748* *74* *Gly* *N* *N* *108.1* *.* *1* new residue 75 adding: *749* *75* *Thr* *H* *H* *8.76* *.* *1* old residue 75 adding: *750* *75* *Thr* *HA* *H* *4.67* *.* *1* old residue 75 adding: *751* *75* *Thr* *HB* *H* *4.58* *.* *1* old residue 75 adding: *752* *75* *Thr* *HG2* *H* *1.30* *.* *1* old residue 75 adding: *753* *75* *Thr* *CA* *C* *59.0* *.* *1* old residue 75 adding: *754* *75* *Thr* *CB* *C* *70.9* *.* *1* old residue 75 adding: *755* *75* *Thr* *CG2* *C* *21.1* *.* *1* old residue 75 adding: *756* *75* *Thr* *N* *N* *111.4* *.* *1* new residue 76 adding: *757* *76* *Gln* *H* *H* *8.71* *.* *1* old residue 76 adding: *758* *76* *Gln* *HA* *H* *3.94* *.* *1* old residue 76 adding: *759* *76* *Gln* *HB2* *H* *2.08* *.* *2* old residue 76 adding: *760* *76* *Gln* *HB3* *H* *2.08* *.* *2* old residue 76 adding: *761* *76* *Gln* *HG2* *H* *2.42* *.* *2* old residue 76 adding: *762* *76* *Gln* *HG3* *H* *2.41* *.* *2* old residue 76 adding: *763* *76* *Gln* *HE21* *H* *6.86* *.* *2* old residue 76 adding: *764* *76* *Gln* *HE22* *H* *7.50* *.* *2* old residue 76 adding: *765* *76* *Gln* *CA* *C* *58.7* *.* *1* old residue 76 adding: *766* *76* *Gln* *CB* *C* *27.9* *.* *1* old residue 76 adding: *767* *76* *Gln* *CG* *C* *33.6* *.* *1* old residue 76 adding: *768* *76* *Gln* *N* *N* *123.1* *.* *1* old residue 76 adding: *769* *76* *Gln* *NE2* *N* *112.9* *.* *1* new residue 77 adding: *770* *77* *Lys* *H* *H* *8.24* *.* *1* old residue 77 adding: *771* *77* *Lys* *HA* *H* *4.00* *.* *1* old residue 77 adding: *772* *77* *Lys* *HB2* *H* *1.64* *.* *2* old residue 77 adding: *773* *77* *Lys* *HB3* *H* *1.79* *.* *2* old residue 77 adding: *774* *77* *Lys* *HG2* *H* *1.27* *.* *2* old residue 77 adding: *775* *77* *Lys* *HG3* *H* *1.34* *.* *2* old residue 77 adding: *776* *77* *Lys* *HD2* *H* *1.57* *.* *2* old residue 77 adding: *777* *77* *Lys* *HD3* *H* *1.57* *.* *2* old residue 77 adding: *778* *77* *Lys* *HE2* *H* *2.86* *.* *2* old residue 77 adding: *779* *77* *Lys* *HE3* *H* *2.86* *.* *2* old residue 77 adding: *780* *77* *Lys* *CA* *C* *59.2* *.* *1* old residue 77 adding: *781* *77* *Lys* *CB* *C* *31.9* *.* *1* old residue 77 adding: *782* *77* *Lys* *CG* *C* *24.4* *.* *1* old residue 77 adding: *783* *77* *Lys* *CD* *C* *28.9* *.* *1* old residue 77 adding: *784* *77* *Lys* *CE* *C* *41.9* *.* *1* old residue 77 adding: *785* *77* *Lys* *N* *N* *121.0* *.* *1* new residue 78 adding: *786* *78* *Asp* *H* *H* *7.39* *.* *1* old residue 78 adding: *787* *78* *Asp* *HA* *H* *4.17* *.* *1* old residue 78 adding: *788* *78* *Asp* *HB2* *H* *2.39* *.* *2* old residue 78 adding: *789* *78* *Asp* *HB3* *H* *2.65* *.* *2* old residue 78 adding: *790* *78* *Asp* *CA* *C* *57.0* *.* *1* old residue 78 adding: *791* *78* *Asp* *CB* *C* *41.4* *.* *1* old residue 78 adding: *792* *78* *Asp* *N* *N* *117.8* *.* *1* new residue 79 adding: *793* *79* *Leu* *H* *H* *7.69* *.* *1* old residue 79 adding: *794* *79* *Leu* *HA* *H* *3.77* *.* *1* old residue 79 adding: *795* *79* *Leu* *HB2* *H* *1.37* *.* *2* old residue 79 adding: *796* *79* *Leu* *HB3* *H* *1.84* *.* *2* old residue 79 adding: *797* *79* *Leu* *HG* *H* *1.44* *.* *1* old residue 79 adding: *798* *79* *Leu* *HD1* *H* *0.90* *.* *2* old residue 79 adding: *799* *79* *Leu* *HD2* *H* *0.85* *.* *2* old residue 79 adding: *800* *79* *Leu* *CA* *C* *58.1* *.* *1* old residue 79 adding: *801* *79* *Leu* *CB* *C* *42.1* *.* *1* old residue 79 adding: *802* *79* *Leu* *CG* *C* *27.0* *.* *1* old residue 79 adding: *803* *79* *Leu* *CD1* *C* *25.3* *.* *1* old residue 79 adding: *804* *79* *Leu* *CD2* *C* *25.8* *.* *1* old residue 79 adding: *805* *79* *Leu* *N* *N* *118.4* *.* *1* new residue 80 adding: *806* *80* *Ser* *H* *H* *8.40* *.* *1* old residue 80 adding: *807* *80* *Ser* *HA* *H* *4.17* *.* *1* old residue 80 adding: *808* *80* *Ser* *HB2* *H* *3.92* *.* *2* old residue 80 adding: *809* *80* *Ser* *HB3* *H* *3.92* *.* *2* old residue 80 adding: *810* *80* *Ser* *CA* *C* *61.5* *.* *1* old residue 80 adding: *811* *80* *Ser* *CB* *C* *62.5* *.* *1* old residue 80 adding: *812* *80* *Ser* *N* *N* *114.0* *.* *1* new residue 81 adding: *813* *81* *Glu* *H* *H* *7.93* *.* *1* old residue 81 adding: *814* *81* *Glu* *HA* *H* *4.03* *.* *1* old residue 81 adding: *815* *81* *Glu* *HB2* *H* *1.89* *.* *2* old residue 81 adding: *816* *81* *Glu* *HB3* *H* *1.98* *.* *2* old residue 81 adding: *817* *81* *Glu* *HG2* *H* *2.00* *.* *2* old residue 81 adding: *818* *81* *Glu* *HG3* *H* *2.00* *.* *2* old residue 81 adding: *819* *81* *Glu* *CA* *C* *59.0* *.* *1* old residue 81 adding: *820* *81* *Glu* *CB* *C* *29.0* *.* *1* old residue 81 adding: *821* *81* *Glu* *CG* *C* *36.0* *.* *1* old residue 81 adding: *822* *81* *Glu* *N* *N* *121.0* *.* *1* new residue 82 adding: *823* *82* *Leu* *H* *H* *7.87* *.* *1* old residue 82 adding: *824* *82* *Leu* *HA* *H* *3.89* *.* *1* old residue 82 adding: *825* *82* *Leu* *HB2* *H* *1.98* *.* *2* old residue 82 adding: *826* *82* *Leu* *HB3* *H* *1.37* *.* *2* old residue 82 adding: *827* *82* *Leu* *HG* *H* *1.95* *.* *1* old residue 82 adding: *828* *82* *Leu* *HD1* *H* *0.73* *.* *2* old residue 82 adding: *829* *82* *Leu* *HD2* *H* *1.24* *.* *2* old residue 82 adding: *830* *82* *Leu* *CA* *C* *57.9* *.* *1* old residue 82 adding: *831* *82* *Leu* *CB* *C* *43.9* *.* *1* old residue 82 adding: *832* *82* *Leu* *CG* *C* *27.5* *.* *1* old residue 82 adding: *833* *82* *Leu* *CD1* *C* *25.1* *.* *1* old residue 82 adding: *834* *82* *Leu* *CD2* *C* *23.9* *.* *1* old residue 82 adding: *835* *82* *Leu* *N* *N* *120.9* *.* *1* new residue 83 adding: *836* *83* *Gln* *H* *H* *8.52* *.* *1* old residue 83 adding: *837* *83* *Gln* *HA* *H* *3.90* *.* *1* old residue 83 adding: *838* *83* *Gln* *HB2* *H* *2.22* *.* *2* old residue 83 adding: *839* *83* *Gln* *HB3* *H* *1.95* *.* *2* old residue 83 adding: *840* *83* *Gln* *HG2* *H* *2.27* *.* *2* old residue 83 adding: *841* *83* *Gln* *HG3* *H* *2.53* *.* *2* old residue 83 adding: *842* *83* *Gln* *HE21* *H* *7.10* *.* *2* old residue 83 adding: *843* *83* *Gln* *HE22* *H* *6.81* *.* *2* old residue 83 adding: *844* *83* *Gln* *CA* *C* *59.2* *.* *1* old residue 83 adding: *845* *83* *Gln* *CB* *C* *28.3* *.* *1* old residue 83 adding: *846* *83* *Gln* *CG* *C* *34.4* *.* *1* old residue 83 adding: *847* *83* *Gln* *N* *N* *118.3* *.* *1* old residue 83 adding: *848* *83* *Gln* *NE2* *N* *110.2* *.* *1* new residue 84 adding: *849* *84* *Asp* *H* *H* *8.14* *.* *1* old residue 84 adding: *850* *84* *Asp* *HA* *H* *4.34* *.* *1* old residue 84 adding: *851* *84* *Asp* *HB2* *H* *2.57* *.* *2* old residue 84 adding: *852* *84* *Asp* *HB3* *H* *2.73* *.* *2* old residue 84 adding: *853* *84* *Asp* *CA* *C* *57.1* *.* *1* old residue 84 adding: *854* *84* *Asp* *CB* *C* *41.0* *.* *1* old residue 84 adding: *855* *84* *Asp* *N* *N* *119.7* *.* *1* new residue 85 adding: *856* *85* *Ala* *H* *H* *7.74* *.* *1* old residue 85 adding: *857* *85* *Ala* *HA* *H* *3.81* *.* *1* old residue 85 adding: *858* *85* *Ala* *HB* *H* *0.78* *.* *1* old residue 85 adding: *859* *85* *Ala* *CA* *C* *54.6* *.* *1* old residue 85 adding: *860* *85* *Ala* *CB* *C* *16.2* *.* *1* old residue 85 adding: *861* *85* *Ala* *N* *N* *121.6* *.* *1* new residue 86 adding: *862* *86* *Lys* *H* *H* *8.07* *.* *1* old residue 86 adding: *863* *86* *Lys* *HA* *H* *3.81* *.* *1* old residue 86 adding: *864* *86* *Lys* *HB2* *H* *1.70* *.* *2* old residue 86 adding: *865* *86* *Lys* *HB3* *H* *1.93* *.* *2* old residue 86 adding: *866* *86* *Lys* *HG2* *H* *1.41* *.* *2* old residue 86 adding: *867* *86* *Lys* *HG3* *H* *1.63* *.* *2* old residue 86 adding: *868* *86* *Lys* *HD2* *H* *1.59* *.* *2* old residue 86 adding: *869* *86* *Lys* *HD3* *H* *1.59* *.* *2* old residue 86 adding: *870* *86* *Lys* *HE2* *H* *3.10* *.* *2* old residue 86 adding: *871* *86* *Lys* *HE3* *H* *2.89* *.* *2* old residue 86 adding: *872* *86* *Lys* *CA* *C* *60.6* *.* *1* old residue 86 adding: *873* *86* *Lys* *CB* *C* *33.3* *.* *1* old residue 86 adding: *874* *86* *Lys* *CG* *C* *25.4* *.* *1* old residue 86 adding: *875* *86* *Lys* *CD* *C* *30.7* *.* *1* old residue 86 adding: *876* *86* *Lys* *CE* *C* *41.9* *.* *1* old residue 86 adding: *877* *86* *Lys* *N* *N* *120.2* *.* *1* new residue 87 adding: *878* *87* *Leu* *H* *H* *7.78* *.* *1* old residue 87 adding: *879* *87* *Leu* *HA* *H* *4.16* *.* *1* old residue 87 adding: *880* *87* *Leu* *HB2* *H* *1.62* *.* *2* old residue 87 adding: *881* *87* *Leu* *HB3* *H* *1.74* *.* *2* old residue 87 adding: *882* *87* *Leu* *HG* *H* *1.66* *.* *1* old residue 87 adding: *883* *87* *Leu* *HD1* *H* *0.87* *.* *2* old residue 87 adding: *884* *87* *Leu* *HD2* *H* *0.86* *.* *2* old residue 87 adding: *885* *87* *Leu* *CA* *C* *57.5* *.* *1* old residue 87 adding: *886* *87* *Leu* *CB* *C* *41.9* *.* *1* old residue 87 adding: *887* *87* *Leu* *CG* *C* *26.7* *.* *1* old residue 87 adding: *888* *87* *Leu* *CD1* *C* *24.5* *.* *1* old residue 87 adding: *889* *87* *Leu* *CD2* *C* *24.1* *.* *1* old residue 87 adding: *890* *87* *Leu* *N* *N* *118.4* *.* *1* new residue 88 adding: *891* *88* *Lys* *H* *H* *7.90* *.* *1* old residue 88 adding: *892* *88* *Lys* *HA* *H* *3.96* *.* *1* old residue 88 adding: *893* *88* *Lys* *HB2* *H* *1.79* *.* *2* old residue 88 adding: *894* *88* *Lys* *HB3* *H* *1.81* *.* *2* old residue 88 adding: *895* *88* *Lys* *HG2* *H* *1.50* *.* *2* old residue 88 adding: *896* *88* *Lys* *HG3* *H* *1.38* *.* *2* old residue 88 adding: *897* *88* *Lys* *HD2* *H* *1.61* *.* *2* old residue 88 adding: *898* *88* *Lys* *HD3* *H* *1.60* *.* *2* old residue 88 adding: *899* *88* *Lys* *HE2* *H* *2.94* *.* *2* old residue 88 adding: *900* *88* *Lys* *HE3* *H* *2.94* *.* *2* old residue 88 adding: *901* *88* *Lys* *CA* *C* *59.2* *.* *1* old residue 88 adding: *902* *88* *Lys* *CB* *C* *32.0* *.* *1* old residue 88 adding: *903* *88* *Lys* *CG* *C* *25.4* *.* *1* old residue 88 adding: *904* *88* *Lys* *CD* *C* *28.9* *.* *1* old residue 88 adding: *905* *88* *Lys* *CE* *C* *41.8* *.* *1* old residue 88 adding: *906* *88* *Lys* *N* *N* *118.7* *.* *1* new residue 89 adding: *907* *89* *Ala* *H* *H* *8.00* *.* *1* old residue 89 adding: *908* *89* *Ala* *HA* *H* *4.15* *.* *1* old residue 89 adding: *909* *89* *Ala* *HB* *H* *1.53* *.* *1* old residue 89 adding: *910* *89* *Ala* *CA* *C* *54.5* *.* *1* old residue 89 adding: *911* *89* *Ala* *CB* *C* *17.8* *.* *1* old residue 89 adding: *912* *89* *Ala* *N* *N* *122.4* *.* *1* new residue 90 adding: *913* *90* *Glu* *H* *H* *8.30* *.* *1* old residue 90 adding: *914* *90* *Glu* *HA* *H* *3.93* *.* *1* old residue 90 adding: *915* *90* *Glu* *HB2* *H* *2.24* *.* *2* old residue 90 adding: *916* *90* *Glu* *HB3* *H* *1.98* *.* *2* old residue 90 adding: *917* *90* *Glu* *HG2* *H* *2.23* *.* *2* old residue 90 adding: *918* *90* *Glu* *HG3* *H* *2.59* *.* *2* old residue 90 adding: *919* *90* *Glu* *CA* *C* *58.0* *.* *1* old residue 90 adding: *920* *90* *Glu* *CB* *C* *29.7* *.* *1* old residue 90 adding: *921* *90* *Glu* *CG* *C* *37.2* *.* *1* old residue 90 adding: *922* *90* *Glu* *N* *N* *116.7* *.* *1* new residue 91 adding: *923* *91* *Gly* *HA2* *H* *4.07* *.* *2* old residue 91 adding: *924* *91* *Gly* *H* *H* *7.71* *.* *1* old residue 91 adding: *925* *91* *Gly* *HA3* *H* *3.87* *.* *2* old residue 91 adding: *926* *91* *Gly* *CA* *C* *45.5* *.* *1* old residue 91 adding: *927* *91* *Gly* *N* *N* *106.0* *.* *1* new residue 92 adding: *928* *92* *Leu* *H* *H* *7.64* *.* *1* old residue 92 adding: *929* *92* *Leu* *HA* *H* *4.27* *.* *1* old residue 92 adding: *930* *92* *Leu* *HB2* *H* *1.76* *.* *2* old residue 92 adding: *931* *92* *Leu* *HB3* *H* *1.52* *.* *2* old residue 92 adding: *932* *92* *Leu* *HG* *H* *1.75* *.* *1* old residue 92 adding: *933* *92* *Leu* *HD1* *H* *0.91* *.* *2* old residue 92 adding: *934* *92* *Leu* *HD2* *H* *0.84* *.* *2* old residue 92 adding: *935* *92* *Leu* *CA* *C* *55.2* *.* *1* old residue 92 adding: *936* *92* *Leu* *CB* *C* *42.1* *.* *1* old residue 92 adding: *937* *92* *Leu* *CG* *C* *26.6* *.* *1* old residue 92 adding: *938* *92* *Leu* *CD1* *C* *25.2* *.* *1* old residue 92 adding: *939* *92* *Leu* *CD2* *C* *22.7* *.* *1* old residue 92 adding: *940* *92* *Leu* *N* *N* *121.2* *.* *1* new residue 93 adding: *941* *93* *Glu* *H* *H* *8.29* *.* *1* old residue 93 adding: *942* *93* *Glu* *HA* *H* *4.13* *.* *1* old residue 93 adding: *943* *93* *Glu* *HB2* *H* *1.90* *.* *2* old residue 93 adding: *944* *93* *Glu* *HB3* *H* *1.89* *.* *2* old residue 93 adding: *945* *93* *Glu* *HG2* *H* *2.10* *.* *2* old residue 93 adding: *946* *93* *Glu* *HG3* *H* *2.19* *.* *2* old residue 93 adding: *947* *93* *Glu* *CA* *C* *56.7* *.* *1* old residue 93 adding: *948* *93* *Glu* *CB* *C* *29.7* *.* *1* old residue 93 adding: *949* *93* *Glu* *CG* *C* *36.0* *.* *1* old residue 93 adding: *950* *93* *Glu* *N* *N* *120.2* *.* *1* new residue 94 adding: *951* *94* *His* *H* *H* *8.26* *.* *1* old residue 94 adding: *952* *94* *His* *HA* *H* *4.56* *.* *1* old residue 94 adding: *953* *94* *His* *HB2* *H* *3.07* *.* *2* old residue 94 adding: *954* *94* *His* *HB3* *H* *3.08* *.* *2* old residue 94 adding: *955* *94* *His* *CA* *C* *55.4* *.* *1* old residue 94 adding: *956* *94* *His* *CB* *C* *29.7* *.* *1* old residue 94 adding: *957* *94* *His* *N* *N* *118.9* *.* *1* new residue 95 adding: *958* *95* *His* *H* *H* *8.17* *.* *1* old residue 95 adding: *959* *95* *His* *HA* *H* *4.41* *.* *1* old residue 95 adding: *960* *95* *His* *HB2* *H* *3.19* *.* *2* old residue 95 adding: *961* *95* *His* *HB3* *H* *3.18* *.* *2* old residue 95 adding: *962* *95* *His* *CA* *C* *57.0* *.* *1* old residue 95 adding: *963* *95* *His* *CB* *C* *30.0* *.* *1* old residue 95 adding: *964* *95* *His* *N* *N* *125.4* *.* *1* seqcode size is : 95 seqcode: 33 shift counts are : 10 seqcode: 32 shift counts are : 13 seqcode: 90 shift counts are : 10 seqcode: 63 shift counts are : 13 seqcode: 21 shift counts are : 10 seqcode: 71 shift counts are : 15 seqcode: 7 shift counts are : 15 seqcode: 80 shift counts are : 7 seqcode: 26 shift counts are : 13 seqcode: 18 shift counts are : 16 seqcode: 72 shift counts are : 10 seqcode: 16 shift counts are : 11 seqcode: 44 shift counts are : 13 seqcode: 55 shift counts are : 15 seqcode: 74 shift counts are : 5 seqcode: 27 shift counts are : 6 seqcode: 84 shift counts are : 7 seqcode: 95 shift counts are : 7 seqcode: 57 shift counts are : 7 seqcode: 61 shift counts are : 7 seqcode: 20 shift counts are : 7 seqcode: 92 shift counts are : 13 seqcode: 89 shift counts are : 6 seqcode: 10 shift counts are : 13 seqcode: 31 shift counts are : 10 seqcode: 35 shift counts are : 8 seqcode: 11 shift counts are : 6 seqcode: 91 shift counts are : 5 seqcode: 78 shift counts are : 7 seqcode: 48 shift counts are : 16 seqcode: 87 shift counts are : 13 seqcode: 93 shift counts are : 10 seqcode: 77 shift counts are : 16 seqcode: 65 shift counts are : 13 seqcode: 29 shift counts are : 15 seqcode: 50 shift counts are : 13 seqcode: 39 shift counts are : 13 seqcode: 64 shift counts are : 6 seqcode: 58 shift counts are : 7 seqcode: 41 shift counts are : 5 seqcode: 12 shift counts are : 13 seqcode: 15 shift counts are : 10 seqcode: 81 shift counts are : 10 seqcode: 52 shift counts are : 13 seqcode: 60 shift counts are : 13 seqcode: 56 shift counts are : 8 seqcode: 73 shift counts are : 10 seqcode: 66 shift counts are : 5 seqcode: 45 shift counts are : 11 seqcode: 86 shift counts are : 16 seqcode: 76 shift counts are : 13 seqcode: 19 shift counts are : 9 seqcode: 62 shift counts are : 8 seqcode: 54 shift counts are : 7 seqcode: 67 shift counts are : 13 seqcode: 70 shift counts are : 6 seqcode: 68 shift counts are : 10 seqcode: 2 shift counts are : 7 seqcode: 17 shift counts are : 13 seqcode: 1 shift counts are : 8 seqcode: 88 shift counts are : 16 seqcode: 30 shift counts are : 10 seqcode: 82 shift counts are : 13 seqcode: 25 shift counts are : 6 seqcode: 28 shift counts are : 13 seqcode: 83 shift counts are : 13 seqcode: 75 shift counts are : 8 seqcode: 40 shift counts are : 10 seqcode: 14 shift counts are : 13 seqcode: 69 shift counts are : 10 seqcode: 59 shift counts are : 6 seqcode: 49 shift counts are : 13 seqcode: 24 shift counts are : 13 seqcode: 53 shift counts are : 13 seqcode: 79 shift counts are : 13 seqcode: 22 shift counts are : 6 seqcode: 42 shift counts are : 9 seqcode: 46 shift counts are : 13 seqcode: 23 shift counts are : 7 seqcode: 13 shift counts are : 6 seqcode: 6 shift counts are : 11 seqcode: 85 shift counts are : 6 seqcode: 3 shift counts are : 11 seqcode: 36 shift counts are : 7 seqcode: 94 shift counts are : 7 seqcode: 9 shift counts are : 15 seqcode: 51 shift counts are : 10 seqcode: 47 shift counts are : 5 seqcode: 8 shift counts are : 8 seqcode: 38 shift counts are : 7 seqcode: 4 shift counts are : 10 seqcode: 34 shift counts are : 10 seqcode: 37 shift counts are : 11 seqcode: 43 shift counts are : 13 seqcode: 5 shift counts are : 7 setting ambig code at 340 for HG2 to 2 setting ambig code at 339 for HG1 to 2 setting ambig code at 330 for HD2 to 2 setting ambig code at 329 for HD1 to 2 setting ambig code at 263 for HD2 to 2 setting ambig code at 262 for HD1 to 2 setting ambig code at 939 for HD2 to 2 setting ambig code at 938 for HD1 to 2 setting ambig code at 889 for HD2 to 2 setting ambig code at 888 for HD1 to 2 setting ambig code at 123 for HD2 to 2 setting ambig code at 122 for HD1 to 2 setting ambig code at 176 for HD2 to 2 setting ambig code at 175 for HD1 to 2 setting ambig code at 834 for HD2 to 2 setting ambig code at 833 for HD1 to 2 setting ambig code at 282 for HD2 to 2 setting ambig code at 281 for HD1 to 2 setting ambig code at 406 for HG2 to 2 setting ambig code at 405 for HG1 to 2 setting ambig code at 701 for HG2 to 2 setting ambig code at 700 for HG1 to 2 setting ambig code at 504 for HD2 to 2 setting ambig code at 503 for HD1 to 2 setting ambig code at 553 for HD2 to 2 setting ambig code at 552 for HD1 to 2 setting ambig code at 804 for HD2 to 2 setting ambig code at 803 for HD1 to 2 setting ambig code at 470 for HD2 to 2 setting ambig code at 469 for HD1 to 2 1 1 GLU HA H 4.33 . 1 2 1 GLU HB2 H 1.88 . 2 3 1 GLU HB3 H 2.04 . 2 4 1 GLU HG2 H 2.23 . 2 5 1 GLU HG3 H 2.23 . 2 6 1 GLU CA C 56.2 . 1 7 1 GLU CB C 30.1 . 1 8 1 GLU CG C 36.0 . 1 9 2 ASP H H 8.56 . 1 10 2 ASP HA H 4.85 . 1 11 2 ASP HB2 H 2.52 . 2 12 2 ASP HB3 H 2.76 . 2 13 2 ASP CA C 52.2 . 1 14 2 ASP CB C 40.9 . 1 15 2 ASP N N 123.0 . 1 16 3 PRO HA H 4.38 . 1 17 3 PRO HB2 H 1.92 . 2 18 3 PRO HB3 H 2.29 . 2 19 3 PRO HG2 H 2.00 . 2 20 3 PRO HG3 H 2.00 . 2 21 3 PRO HD2 H 3.78 . 2 22 3 PRO HD3 H 3.86 . 2 23 3 PRO CA C 63.5 . 1 24 3 PRO CB C 32.1 . 1 25 3 PRO CG C 27.1 . 1 26 3 PRO CD C 50.7 . 1 27 4 GLU H H 8.41 . 1 28 4 GLU HA H 4.25 . 1 29 4 GLU HB2 H 1.89 . 2 30 4 GLU HB3 H 2.06 . 2 31 4 GLU HG2 H 2.19 . 2 32 4 GLU HG3 H 2.29 . 2 33 4 GLU CA C 55.9 . 1 34 4 GLU CB C 30.1 . 1 35 4 GLU CG C 36.2 . 1 36 4 GLU N N 118.3 . 1 37 5 ASP H H 8.03 . 1 38 5 ASP HA H 4.73 . 1 39 5 ASP HB2 H 2.84 . 2 40 5 ASP HB3 H 2.82 . 2 41 5 ASP CA C 52.6 . 1 42 5 ASP CB C 41.7 . 1 43 5 ASP N N 123.7 . 1 44 6 PRO HA H 3.94 . 1 45 6 PRO HB2 H 0.94 . 2 46 6 PRO HB3 H 1.61 . 2 47 6 PRO HG2 H 1.77 . 2 48 6 PRO HG3 H 1.84 . 2 49 6 PRO HD2 H 3.75 . 2 50 6 PRO HD3 H 3.88 . 2 51 6 PRO CA C 64.9 . 1 52 6 PRO CB C 31.0 . 1 53 6 PRO CG C 27.3 . 1 54 6 PRO CD C 50.8 . 1 55 7 PHE H H 8.13 . 1 56 7 PHE HA H 4.22 . 1 57 7 PHE HB2 H 3.05 . 2 58 7 PHE HB3 H 3.31 . 2 59 7 PHE HD1 H 7.33 . 3 60 7 PHE HD2 H 7.33 . 3 61 7 PHE HE1 H 7.37 . 3 62 7 PHE HE2 H 7.37 . 3 63 7 PHE HZ H 7.32 . 1 64 7 PHE CA C 60.8 . 1 65 7 PHE CB C 38.3 . 1 66 7 PHE CD1 C 131.9 . 1 67 7 PHE CE1 C 131.2 . 1 68 7 PHE CZ C 129.5 . 1 69 7 PHE N N 117.2 . 1 70 8 THR H H 7.83 . 1 71 8 THR HA H 3.71 . 1 72 8 THR HB H 4.25 . 1 73 8 THR HG2 H 1.19 . 1 74 8 THR CA C 66.2 . 1 75 8 THR CB C 68.3 . 1 76 8 THR CG2 C 21.8 . 1 77 8 THR N N 115.7 . 1 78 9 ARG H H 7.30 . 1 79 9 ARG HA H 3.84 . 1 80 9 ARG HB2 H 1.69 . 2 81 9 ARG HB3 H 1.83 . 2 82 9 ARG HG2 H 1.58 . 2 83 9 ARG HG3 H 1.65 . 2 84 9 ARG HD2 H 3.04 . 2 85 9 ARG HD3 H 3.19 . 2 86 9 ARG HE H 6.71 . 1 87 9 ARG CA C 59.7 . 1 88 9 ARG CB C 30.4 . 1 89 9 ARG CG C 28.0 . 1 90 9 ARG CD C 43.7 . 1 91 9 ARG N N 121.4 . 1 92 9 ARG NE N 85.1 . 1 93 10 TYR H H 8.48 . 1 94 10 TYR HA H 3.80 . 1 95 10 TYR HB2 H 2.95 . 2 96 10 TYR HB3 H 3.13 . 2 97 10 TYR HD1 H 7.05 . 3 98 10 TYR HD2 H 7.05 . 3 99 10 TYR HE1 H 6.78 . 3 100 10 TYR HE2 H 6.78 . 3 101 10 TYR CA C 61.4 . 1 102 10 TYR CB C 38.3 . 1 103 10 TYR CD1 C 133.3 . 1 104 10 TYR CE1 C 117.9 . 1 105 10 TYR N N 121.7 . 1 106 11 ALA H H 8.50 . 1 107 11 ALA HA H 3.70 . 1 108 11 ALA HB H 1.14 . 1 109 11 ALA CA C 54.4 . 1 110 11 ALA CB C 17.3 . 1 111 11 ALA N N 121.7 . 1 112 12 LEU H H 7.69 . 1 113 12 LEU HA H 3.92 . 1 114 12 LEU HB2 H 1.61 . 2 115 12 LEU HB3 H 1.62 . 2 116 12 LEU HG H 1.42 . 1 117 12 LEU HD1 H 0.73 . 2 118 12 LEU HD2 H 0.83 . 2 119 12 LEU CA C 57.1 . 1 120 12 LEU CB C 41.5 . 1 121 12 LEU CG C 26.4 . 1 122 12 LEU CD1 C 23.3 . 2 123 12 LEU CD2 C 24.5 . 2 124 12 LEU N N 120.9 . 1 125 13 ALA H H 8.01 . 1 126 13 ALA HA H 3.50 . 1 127 13 ALA HB H 0.55 . 1 128 13 ALA CA C 55.4 . 1 129 13 ALA CB C 17.4 . 1 130 13 ALA N N 123.0 . 1 131 14 GLN H H 7.66 . 1 132 14 GLN HA H 3.91 . 1 133 14 GLN HB2 H 1.86 . 2 134 14 GLN HB3 H 1.89 . 2 135 14 GLN HG2 H 1.75 . 2 136 14 GLN HG3 H 2.01 . 2 137 14 GLN HE21 H 5.54 . 2 138 14 GLN HE22 H 5.21 . 2 139 14 GLN CA C 58.2 . 1 140 14 GLN CB C 27.7 . 1 141 14 GLN CG C 32.2 . 1 142 14 GLN N N 114.0 . 1 143 14 GLN NE2 N 105.5 . 1 144 15 GLU H H 7.90 . 1 145 15 GLU HA H 3.90 . 1 146 15 GLU HB2 H 1.96 . 2 147 15 GLU HB3 H 1.96 . 2 148 15 GLU HG2 H 2.10 . 2 149 15 GLU HG3 H 2.10 . 2 150 15 GLU CA C 58.8 . 1 151 15 GLU CB C 28.6 . 1 152 15 GLU CG C 35.5 . 1 153 15 GLU N N 122.4 . 1 154 16 HIS H H 8.22 . 1 155 16 HIS HA H 4.52 . 1 156 16 HIS HB2 H 2.97 . 2 157 16 HIS HB3 H 3.21 . 2 158 16 HIS HD2 H 6.41 . 1 159 16 HIS HE1 H 7.64 . 1 160 16 HIS CA C 59.7 . 1 161 16 HIS CB C 29.6 . 1 162 16 HIS CD2 C 118.6 . 1 163 16 HIS CE1 C 139.2 . 1 164 16 HIS N N 119.1 . 1 165 17 LEU H H 8.09 . 1 166 17 LEU HA H 3.87 . 1 167 17 LEU HB2 H 1.72 . 2 168 17 LEU HB3 H 1.72 . 2 169 17 LEU HG H 1.65 . 1 170 17 LEU HD1 H 0.97 . 2 171 17 LEU HD2 H 0.92 . 2 172 17 LEU CA C 57.9 . 1 173 17 LEU CB C 41.4 . 1 174 17 LEU CG C 26.5 . 1 175 17 LEU CD1 C 24.9 . 2 176 17 LEU CD2 C 24.4 . 2 177 17 LEU N N 120.5 . 1 178 18 LYS H H 7.96 . 1 179 18 LYS HA H 4.03 . 1 180 18 LYS HB2 H 1.77 . 2 181 18 LYS HB3 H 1.77 . 2 182 18 LYS HG2 H 1.26 . 2 183 18 LYS HG3 H 1.45 . 2 184 18 LYS HD2 H 1.56 . 2 185 18 LYS HD3 H 1.58 . 2 186 18 LYS HE2 H 2.85 . 2 187 18 LYS HE3 H 2.84 . 2 188 18 LYS CA C 58.4 . 1 189 18 LYS CB C 31.8 . 1 190 18 LYS CG C 24.7 . 1 191 18 LYS CD C 28.9 . 1 192 18 LYS CE C 41.8 . 1 193 18 LYS N N 121.0 . 1 194 19 HIS H H 7.41 . 1 195 19 HIS HA H 4.72 . 1 196 19 HIS HB2 H 3.04 . 2 197 19 HIS HB3 H 3.58 . 2 198 19 HIS HD2 H 7.24 . 1 199 19 HIS CA C 54.7 . 1 200 19 HIS CB C 28.5 . 1 201 19 HIS CD2 C 120.0 . 1 202 19 HIS N N 115.8 . 1 203 20 ASP H H 8.01 . 1 204 20 ASP HA H 4.37 . 1 205 20 ASP HB2 H 2.61 . 2 206 20 ASP HB3 H 3.14 . 2 207 20 ASP CA C 55.6 . 1 208 20 ASP CB C 39.6 . 1 209 20 ASP N N 115.9 . 1 210 21 ASN H H 8.45 . 1 211 21 ASN HA H 5.13 . 1 212 21 ASN HB2 H 2.65 . 2 213 21 ASN HB3 H 3.06 . 2 214 21 ASN HD21 H 6.78 . 2 215 21 ASN HD22 H 7.82 . 2 216 21 ASN CA C 50.6 . 1 217 21 ASN CB C 37.0 . 1 218 21 ASN N N 118.7 . 1 219 21 ASN ND2 N 112.2 . 1 220 22 ALA H H 8.01 . 1 221 22 ALA HA H 3.84 . 1 222 22 ALA HB H 1.41 . 1 223 22 ALA CA C 55.3 . 1 224 22 ALA CB C 18.3 . 1 225 22 ALA N N 123.3 . 1 226 23 SER H H 8.67 . 1 227 23 SER HA H 4.07 . 1 228 23 SER HB2 H 3.89 . 2 229 23 SER HB3 H 3.87 . 2 230 23 SER CA C 61.8 . 1 231 23 SER CB C 61.9 . 1 232 23 SER N N 112.5 . 1 233 24 ARG H H 7.23 . 1 234 24 ARG HA H 3.96 . 1 235 24 ARG HB2 H 0.90 . 2 236 24 ARG HB3 H 1.13 . 2 237 24 ARG HG2 H 1.03 . 2 238 24 ARG HG3 H 1.16 . 2 239 24 ARG HD2 H 2.79 . 2 240 24 ARG HD3 H 2.93 . 2 241 24 ARG CA C 57.0 . 1 242 24 ARG CB C 29.1 . 1 243 24 ARG CG C 25.9 . 1 244 24 ARG CD C 42.2 . 1 245 24 ARG N N 122.3 . 1 246 25 ALA H H 7.34 . 1 247 25 ALA HA H 3.57 . 1 248 25 ALA HB H 1.25 . 1 249 25 ALA CA C 55.3 . 1 250 25 ALA CB C 18.7 . 1 251 25 ALA N N 120.2 . 1 252 26 LEU H H 8.42 . 1 253 26 LEU HA H 3.80 . 1 254 26 LEU HB2 H 1.47 . 2 255 26 LEU HB3 H 1.86 . 2 256 26 LEU HG H 1.37 . 1 257 26 LEU HD1 H 0.66 . 2 258 26 LEU HD2 H 0.87 . 2 259 26 LEU CA C 58.3 . 1 260 26 LEU CB C 41.8 . 1 261 26 LEU CG C 26.4 . 1 262 26 LEU CD1 C 24.3 . 2 263 26 LEU CD2 C 25.5 . 2 264 26 LEU N N 116.5 . 1 265 27 ALA H H 7.19 . 1 266 27 ALA HA H 4.12 . 1 267 27 ALA HB H 1.41 . 1 268 27 ALA CA C 54.7 . 1 269 27 ALA CB C 18.0 . 1 270 27 ALA N N 118.2 . 1 271 28 LEU H H 7.50 . 1 272 28 LEU HA H 4.07 . 1 273 28 LEU HB2 H 1.67 . 2 274 28 LEU HB3 H 1.11 . 2 275 28 LEU HG H 1.63 . 1 276 28 LEU HD1 H 0.74 . 2 277 28 LEU HD2 H 0.86 . 2 278 28 LEU CA C 57.6 . 1 279 28 LEU CB C 43.1 . 1 280 28 LEU CG C 27.0 . 1 281 28 LEU CD1 C 26.1 . 2 282 28 LEU CD2 C 23.1 . 2 283 28 LEU N N 118.3 . 1 284 29 PHE H H 8.69 . 1 285 29 PHE HA H 4.63 . 1 286 29 PHE HB2 H 3.03 . 2 287 29 PHE HB3 H 3.08 . 2 288 29 PHE HD1 H 7.00 . 3 289 29 PHE HD2 H 7.00 . 3 290 29 PHE HE1 H 7.01 . 3 291 29 PHE HE2 H 7.01 . 3 292 29 PHE HZ H 6.72 . 1 293 29 PHE CA C 58.7 . 1 294 29 PHE CB C 40.3 . 1 295 29 PHE CD1 C 130.0 . 1 296 29 PHE CE1 C 130.7 . 1 297 29 PHE CZ C 128.8 . 1 298 29 PHE N N 119.0 . 1 299 30 GLU H H 8.99 . 1 300 30 GLU HA H 3.79 . 1 301 30 GLU HB2 H 1.88 . 2 302 30 GLU HB3 H 2.17 . 2 303 30 GLU HG2 H 2.18 . 2 304 30 GLU HG3 H 2.67 . 2 305 30 GLU CA C 60.1 . 1 306 30 GLU CB C 29.1 . 1 307 30 GLU CG C 37.9 . 1 308 30 GLU N N 117.4 . 1 309 31 GLU H H 7.83 . 1 310 31 GLU HA H 4.16 . 1 311 31 GLU HB2 H 2.13 . 2 312 31 GLU HB3 H 2.21 . 2 313 31 GLU HG2 H 2.36 . 2 314 31 GLU HG3 H 2.36 . 2 315 31 GLU CA C 58.8 . 1 316 31 GLU CB C 29.9 . 1 317 31 GLU CG C 36.6 . 1 318 31 GLU N N 119.5 . 1 319 32 LEU H H 7.92 . 1 320 32 LEU HA H 4.13 . 1 321 32 LEU HB2 H 1.63 . 2 322 32 LEU HB3 H 2.28 . 2 323 32 LEU HG H 1.66 . 1 324 32 LEU HD1 H 0.99 . 2 325 32 LEU HD2 H 0.88 . 2 326 32 LEU CA C 58.2 . 1 327 32 LEU CB C 43.0 . 1 328 32 LEU CG C 28.3 . 1 329 32 LEU CD1 C 24.4 . 2 330 32 LEU CD2 C 24.7 . 2 331 32 LEU N N 122.0 . 1 332 33 VAL H H 7.46 . 1 333 33 VAL HA H 3.59 . 1 334 33 VAL HB H 2.03 . 1 335 33 VAL HG1 H 0.92 . 2 336 33 VAL HG2 H 0.75 . 2 337 33 VAL CA C 65.8 . 1 338 33 VAL CB C 31.5 . 1 339 33 VAL CG1 C 21.5 . 2 340 33 VAL CG2 C 22.1 . 2 341 33 VAL N N 116.0 . 1 342 34 GLU H H 7.21 . 1 343 34 GLU HA H 4.13 . 1 344 34 GLU HB2 H 2.20 . 2 345 34 GLU HB3 H 2.21 . 2 346 34 GLU HG2 H 2.21 . 2 347 34 GLU HG3 H 2.37 . 2 348 34 GLU CA C 58.5 . 1 349 34 GLU CB C 29.9 . 1 350 34 GLU CG C 36.0 . 1 351 34 GLU N N 117.4 . 1 352 35 THR H H 9.10 . 1 353 35 THR HA H 4.18 . 1 354 35 THR HB H 4.31 . 1 355 35 THR HG2 H 1.29 . 1 356 35 THR CA C 63.9 . 1 357 35 THR CB C 69.3 . 1 358 35 THR CG2 C 20.8 . 1 359 35 THR N N 109.9 . 1 360 36 ASP H H 8.63 . 1 361 36 ASP HA H 5.30 . 1 362 36 ASP HB2 H 2.67 . 2 363 36 ASP HB3 H 2.52 . 2 364 36 ASP CA C 52.7 . 1 365 36 ASP CB C 42.4 . 1 366 36 ASP N N 122.8 . 1 367 37 PRO HA H 4.56 . 1 368 37 PRO HB2 H 2.71 . 2 369 37 PRO HB3 H 2.03 . 2 370 37 PRO HG2 H 2.09 . 2 371 37 PRO HG3 H 1.94 . 2 372 37 PRO HD2 H 3.34 . 2 373 37 PRO HD3 H 3.67 . 2 374 37 PRO CA C 64.4 . 1 375 37 PRO CB C 31.1 . 1 376 37 PRO CG C 27.1 . 1 377 37 PRO CD C 50.4 . 1 378 38 ASP H H 8.63 . 1 379 38 ASP HA H 4.57 . 1 380 38 ASP HB2 H 2.73 . 2 381 38 ASP HB3 H 2.73 . 2 382 38 ASP CA C 53.8 . 1 383 38 ASP CB C 39.5 . 1 384 38 ASP N N 113.7 . 1 385 39 TYR H H 8.11 . 1 386 39 TYR HA H 4.54 . 1 387 39 TYR HB2 H 2.84 . 2 388 39 TYR HB3 H 3.47 . 2 389 39 TYR HD1 H 7.25 . 3 390 39 TYR HD2 H 7.25 . 3 391 39 TYR HE1 H 6.35 . 3 392 39 TYR HE2 H 6.35 . 3 393 39 TYR CA C 58.5 . 1 394 39 TYR CB C 36.5 . 1 395 39 TYR CD1 C 133.4 . 1 396 39 TYR CE1 C 117.4 . 1 397 39 TYR N N 123.7 . 1 398 40 VAL H H 7.88 . 1 399 40 VAL HA H 3.77 . 1 400 40 VAL HB H 1.87 . 1 401 40 VAL HG1 H 0.81 . 2 402 40 VAL HG2 H 0.92 . 2 403 40 VAL CA C 65.0 . 1 404 40 VAL CB C 32.5 . 1 405 40 VAL CG1 C 20.3 . 2 406 40 VAL CG2 C 23.1 . 2 407 40 VAL N N 128.1 . 1 408 41 GLY HA2 H 3.41 . 2 409 41 GLY H H 7.53 . 1 410 41 GLY HA3 H 3.88 . 2 411 41 GLY CA C 46.4 . 1 412 41 GLY N N 105.9 . 1 413 42 THR H H 7.15 . 1 414 42 THR HA H 3.58 . 1 415 42 THR HB H 3.27 . 1 416 42 THR HG1 H 5.58 . 1 417 42 THR HG2 H 1.08 . 1 418 42 THR CA C 65.6 . 1 419 42 THR CB C 68.9 . 1 420 42 THR CG2 C 25.5 . 1 421 42 THR N N 111.9 . 1 422 43 TYR H H 7.04 . 1 423 43 TYR HA H 3.46 . 1 424 43 TYR HB2 H 2.93 . 2 425 43 TYR HB3 H 3.02 . 2 426 43 TYR HD1 H 7.56 . 3 427 43 TYR HD2 H 7.56 . 3 428 43 TYR HE1 H 6.88 . 3 429 43 TYR HE2 H 6.88 . 3 430 43 TYR CA C 64.1 . 1 431 43 TYR CB C 38.3 . 1 432 43 TYR CD1 C 132.9 . 1 433 43 TYR CE1 C 118.4 . 1 434 43 TYR N N 113.5 . 1 435 44 TYR H H 9.77 . 1 436 44 TYR HA H 3.99 . 1 437 44 TYR HB2 H 2.54 . 2 438 44 TYR HB3 H 3.01 . 2 439 44 TYR HD1 H 6.03 . 3 440 44 TYR HD2 H 6.03 . 3 441 44 TYR HE1 H 6.54 . 3 442 44 TYR HE2 H 6.54 . 3 443 44 TYR CA C 61.9 . 1 444 44 TYR CB C 38.8 . 1 445 44 TYR CD1 C 132.1 . 1 446 44 TYR CE1 C 118.3 . 1 447 44 TYR N N 119.8 . 1 448 45 HIS H H 6.38 . 1 449 45 HIS HA H 3.77 . 1 450 45 HIS HB2 H 2.17 . 2 451 45 HIS HB3 H 2.66 . 2 452 45 HIS HD2 H 7.82 . 1 453 45 HIS HE1 H 7.95 . 1 454 45 HIS CA C 58.5 . 1 455 45 HIS CB C 31.6 . 1 456 45 HIS CD2 C 120.3 . 1 457 45 HIS CE1 C 139.2 . 1 458 45 HIS N N 114.5 . 1 459 46 LEU H H 8.36 . 1 460 46 LEU HA H 3.66 . 1 461 46 LEU HB2 H 0.79 . 2 462 46 LEU HB3 H 1.48 . 2 463 46 LEU HG H 1.17 . 1 464 46 LEU HD1 H 0.39 . 2 465 46 LEU HD2 H 0.70 . 2 466 46 LEU CA C 57.1 . 1 467 46 LEU CB C 40.8 . 1 468 46 LEU CG C 26.7 . 1 469 46 LEU CD1 C 21.6 . 2 470 46 LEU CD2 C 25.8 . 2 471 46 LEU N N 121.1 . 1 472 47 GLY HA2 H 3.35 . 2 473 47 GLY H H 8.44 . 1 474 47 GLY HA3 H 3.53 . 2 475 47 GLY CA C 47.2 . 1 476 47 GLY N N 106.5 . 1 477 48 LYS H H 7.97 . 1 478 48 LYS HA H 3.80 . 1 479 48 LYS HB2 H 1.50 . 2 480 48 LYS HB3 H 1.83 . 2 481 48 LYS HG2 H 0.85 . 2 482 48 LYS HG3 H 1.17 . 2 483 48 LYS HD2 H 1.36 . 2 484 48 LYS HD3 H 1.51 . 2 485 48 LYS HE2 H 2.55 . 2 486 48 LYS HE3 H 2.81 . 2 487 48 LYS CA C 58.2 . 1 488 48 LYS CB C 31.6 . 1 489 48 LYS CG C 23.4 . 1 490 48 LYS CD C 28.2 . 1 491 48 LYS CE C 41.8 . 1 492 48 LYS N N 120.5 . 1 493 49 LEU H H 7.80 . 1 494 49 LEU HA H 4.17 . 1 495 49 LEU HB2 H 1.61 . 2 496 49 LEU HB3 H 1.86 . 2 497 49 LEU HG H 1.60 . 1 498 49 LEU HD1 H 0.99 . 2 499 49 LEU HD2 H 0.96 . 2 500 49 LEU CA C 57.5 . 1 501 49 LEU CB C 41.0 . 1 502 49 LEU CG C 27.0 . 1 503 49 LEU CD1 C 23.5 . 2 504 49 LEU CD2 C 26.2 . 2 505 49 LEU N N 124.0 . 1 506 50 TYR H H 8.61 . 1 507 50 TYR HA H 4.42 . 1 508 50 TYR HB2 H 2.91 . 2 509 50 TYR HB3 H 3.39 . 2 510 50 TYR HD1 H 6.54 . 3 511 50 TYR HD2 H 6.54 . 3 512 50 TYR HE1 H 6.72 . 3 513 50 TYR HE2 H 6.72 . 3 514 50 TYR CA C 59.6 . 1 515 50 TYR CB C 35.6 . 1 516 50 TYR CD1 C 129.6 . 1 517 50 TYR CE1 C 118.9 . 1 518 50 TYR N N 119.0 . 1 519 51 GLU H H 8.41 . 1 520 51 GLU HA H 3.76 . 1 521 51 GLU HB2 H 2.24 . 2 522 51 GLU HB3 H 2.16 . 2 523 51 GLU HG2 H 1.89 . 2 524 51 GLU HG3 H 2.65 . 2 525 51 GLU CA C 61.6 . 1 526 51 GLU CB C 29.8 . 1 527 51 GLU CG C 38.4 . 1 528 51 GLU N N 118.6 . 1 529 52 ARG H H 7.91 . 1 530 52 ARG HA H 4.15 . 1 531 52 ARG HB2 H 2.17 . 2 532 52 ARG HB3 H 2.10 . 2 533 52 ARG HG2 H 1.67 . 2 534 52 ARG HG3 H 1.90 . 2 535 52 ARG HD2 H 3.13 . 2 536 52 ARG HD3 H 3.21 . 2 537 52 ARG CA C 58.6 . 1 538 52 ARG CB C 29.6 . 1 539 52 ARG CG C 26.9 . 1 540 52 ARG CD C 43.8 . 1 541 52 ARG N N 122.2 . 1 542 53 LEU H H 7.74 . 1 543 53 LEU HA H 4.40 . 1 544 53 LEU HB2 H 1.84 . 2 545 53 LEU HB3 H 1.77 . 2 546 53 LEU HG H 1.84 . 1 547 53 LEU HD1 H 0.91 . 2 548 53 LEU HD2 H 0.82 . 2 549 53 LEU CA C 54.1 . 1 550 53 LEU CB C 41.4 . 1 551 53 LEU CG C 26.3 . 1 552 53 LEU CD1 C 26.5 . 2 553 53 LEU CD2 C 21.6 . 2 554 53 LEU N N 119.4 . 1 555 54 ASP H H 8.09 . 1 556 54 ASP HA H 4.41 . 1 557 54 ASP HB2 H 2.69 . 2 558 54 ASP HB3 H 3.19 . 2 559 54 ASP CA C 55.5 . 1 560 54 ASP CB C 38.9 . 1 561 54 ASP N N 116.3 . 1 562 55 ARG H H 8.42 . 1 563 55 ARG HA H 4.68 . 1 564 55 ARG HB2 H 1.45 . 2 565 55 ARG HB3 H 2.19 . 2 566 55 ARG HG2 H 1.55 . 2 567 55 ARG HG3 H 1.72 . 2 568 55 ARG HD2 H 2.87 . 2 569 55 ARG HD3 H 3.48 . 2 570 55 ARG HE H 7.41 . 1 571 55 ARG CA C 54.0 . 1 572 55 ARG CB C 29.8 . 1 573 55 ARG CG C 24.6 . 1 574 55 ARG CD C 44.5 . 1 575 55 ARG N N 120.8 . 1 576 55 ARG NE N 83.1 . 1 577 56 THR H H 7.87 . 1 578 56 THR HA H 3.51 . 1 579 56 THR HB H 3.96 . 1 580 56 THR HG2 H 1.22 . 1 581 56 THR CA C 67.5 . 1 582 56 THR CB C 68.0 . 1 583 56 THR CG2 C 23.1 . 1 584 56 THR N N 117.3 . 1 585 57 ASP H H 8.45 . 1 586 57 ASP HA H 4.26 . 1 587 57 ASP HB2 H 2.56 . 2 588 57 ASP HB3 H 2.64 . 2 589 57 ASP CA C 57.9 . 1 590 57 ASP CB C 39.1 . 1 591 57 ASP N N 120.3 . 1 592 58 ASP H H 7.54 . 1 593 58 ASP HA H 4.17 . 1 594 58 ASP HB2 H 1.41 . 2 595 58 ASP HB3 H 1.86 . 2 596 58 ASP CA C 56.9 . 1 597 58 ASP CB C 38.4 . 1 598 58 ASP N N 120.2 . 1 599 59 ALA H H 8.11 . 1 600 59 ALA HA H 3.76 . 1 601 59 ALA HB H 1.51 . 1 602 59 ALA CA C 56.0 . 1 603 59 ALA CB C 19.2 . 1 604 59 ALA N N 124.7 . 1 605 60 ILE H H 8.23 . 1 606 60 ILE HA H 3.52 . 1 607 60 ILE HB H 1.88 . 1 608 60 ILE HG12 H 0.94 . 2 609 60 ILE HG13 H 1.89 . 2 610 60 ILE HG2 H 0.99 . 1 611 60 ILE HD1 H 0.76 . 1 612 60 ILE CA C 66.8 . 1 613 60 ILE CB C 38.4 . 1 614 60 ILE CG1 C 31.2 . 1 615 60 ILE CG2 C 17.7 . 1 616 60 ILE CD1 C 14.1 . 1 617 60 ILE N N 117.6 . 1 618 61 ASP H H 7.75 . 1 619 61 ASP HA H 4.44 . 1 620 61 ASP HB2 H 2.71 . 2 621 61 ASP HB3 H 2.74 . 2 622 61 ASP CA C 57.1 . 1 623 61 ASP CB C 40.5 . 1 624 61 ASP N N 118.3 . 1 625 62 THR H H 8.04 . 1 626 62 THR HA H 4.07 . 1 627 62 THR HB H 4.25 . 1 628 62 THR HG2 H 1.35 . 1 629 62 THR CA C 68.0 . 1 630 62 THR CB C 68.6 . 1 631 62 THR CG2 C 22.3 . 1 632 62 THR N N 119.8 . 1 633 63 TYR H H 8.97 . 1 634 63 TYR HA H 4.48 . 1 635 63 TYR HB2 H 3.23 . 2 636 63 TYR HB3 H 2.89 . 2 637 63 TYR HD1 H 6.74 . 3 638 63 TYR HD2 H 6.74 . 3 639 63 TYR HE1 H 6.71 . 3 640 63 TYR HE2 H 6.71 . 3 641 63 TYR CA C 59.2 . 1 642 63 TYR CB C 37.7 . 1 643 63 TYR CD1 C 129.2 . 1 644 63 TYR CE1 C 119.0 . 1 645 63 TYR N N 121.7 . 1 646 64 ALA H H 8.69 . 1 647 64 ALA HA H 4.00 . 1 648 64 ALA HB H 1.58 . 1 649 64 ALA CA C 55.5 . 1 650 64 ALA CB C 17.8 . 1 651 64 ALA N N 119.4 . 1 652 65 GLN H H 8.10 . 1 653 65 GLN HA H 4.01 . 1 654 65 GLN HB2 H 2.33 . 2 655 65 GLN HB3 H 2.13 . 2 656 65 GLN HG2 H 2.42 . 2 657 65 GLN HG3 H 2.50 . 2 658 65 GLN HE21 H 6.89 . 2 659 65 GLN HE22 H 7.37 . 2 660 65 GLN CA C 58.6 . 1 661 65 GLN CB C 28.5 . 1 662 65 GLN CG C 33.9 . 1 663 65 GLN N N 119.6 . 1 664 65 GLN NE2 N 111.7 . 1 665 66 GLY HA2 H 3.08 . 2 666 66 GLY H H 8.43 . 1 667 66 GLY HA3 H 2.52 . 2 668 66 GLY CA C 46.8 . 1 669 66 GLY N N 108.2 . 1 670 67 ILE H H 8.57 . 1 671 67 ILE HA H 3.32 . 1 672 67 ILE HB H 1.90 . 1 673 67 ILE HG12 H 0.75 . 2 674 67 ILE HG13 H 1.98 . 2 675 67 ILE HG2 H 0.80 . 1 676 67 ILE HD1 H 0.76 . 1 677 67 ILE CA C 65.9 . 1 678 67 ILE CB C 38.4 . 1 679 67 ILE CG1 C 32.1 . 1 680 67 ILE CG2 C 16.1 . 1 681 67 ILE CD1 C 14.7 . 1 682 67 ILE N N 123.5 . 1 683 68 GLU H H 7.03 . 1 684 68 GLU HA H 3.96 . 1 685 68 GLU HB2 H 2.10 . 2 686 68 GLU HB3 H 2.10 . 2 687 68 GLU HG2 H 2.31 . 2 688 68 GLU HG3 H 2.41 . 2 689 68 GLU CA C 58.7 . 1 690 68 GLU CB C 28.5 . 1 691 68 GLU CG C 35.6 . 1 692 68 GLU N N 116.5 . 1 693 69 VAL H H 7.44 . 1 694 69 VAL HA H 3.74 . 1 695 69 VAL HB H 1.87 . 1 696 69 VAL HG1 H 0.90 . 2 697 69 VAL HG2 H 1.00 . 2 698 69 VAL CA C 65.7 . 1 699 69 VAL CB C 32.0 . 1 700 69 VAL CG1 C 20.9 . 2 701 69 VAL CG2 C 21.5 . 2 702 69 VAL N N 119.5 . 1 703 70 ALA H H 9.29 . 1 704 70 ALA HA H 3.82 . 1 705 70 ALA HB H 1.26 . 1 706 70 ALA CA C 54.4 . 1 707 70 ALA CB C 18.0 . 1 708 70 ALA N N 122.5 . 1 709 71 ARG H H 8.28 . 1 710 71 ARG HA H 3.87 . 1 711 71 ARG HB2 H 1.91 . 2 712 71 ARG HB3 H 1.85 . 2 713 71 ARG HG2 H 1.58 . 2 714 71 ARG HG3 H 1.82 . 2 715 71 ARG HD2 H 3.17 . 2 716 71 ARG HD3 H 3.17 . 2 717 71 ARG HE H 7.27 . 1 718 71 ARG CA C 59.5 . 1 719 71 ARG CB C 30.0 . 1 720 71 ARG CG C 27.7 . 1 721 71 ARG CD C 43.1 . 1 722 71 ARG N N 116.9 . 1 723 71 ARG NE N 84.1 . 1 724 72 GLU H H 7.39 . 1 725 72 GLU HA H 4.30 . 1 726 72 GLU HB2 H 2.10 . 2 727 72 GLU HB3 H 2.19 . 2 728 72 GLU HG2 H 2.32 . 2 729 72 GLU HG3 H 2.39 . 2 730 72 GLU CA C 57.7 . 1 731 72 GLU CB C 30.5 . 1 732 72 GLU CG C 35.6 . 1 733 72 GLU N N 116.8 . 1 734 73 GLU H H 8.49 . 1 735 73 GLU HA H 4.55 . 1 736 73 GLU HB2 H 2.32 . 2 737 73 GLU HB3 H 1.78 . 2 738 73 GLU HG2 H 2.37 . 2 739 73 GLU HG3 H 2.47 . 2 740 73 GLU CA C 55.9 . 1 741 73 GLU CB C 30.8 . 1 742 73 GLU CG C 34.9 . 1 743 73 GLU N N 115.0 . 1 744 74 GLY HA2 H 4.45 . 2 745 74 GLY H H 8.07 . 1 746 74 GLY HA3 H 3.83 . 2 747 74 GLY CA C 44.6 . 1 748 74 GLY N N 108.1 . 1 749 75 THR H H 8.76 . 1 750 75 THR HA H 4.67 . 1 751 75 THR HB H 4.58 . 1 752 75 THR HG2 H 1.30 . 1 753 75 THR CA C 59.0 . 1 754 75 THR CB C 70.9 . 1 755 75 THR CG2 C 21.1 . 1 756 75 THR N N 111.4 . 1 757 76 GLN H H 8.71 . 1 758 76 GLN HA H 3.94 . 1 759 76 GLN HB2 H 2.08 . 2 760 76 GLN HB3 H 2.08 . 2 761 76 GLN HG2 H 2.42 . 2 762 76 GLN HG3 H 2.41 . 2 763 76 GLN HE21 H 6.86 . 2 764 76 GLN HE22 H 7.50 . 2 765 76 GLN CA C 58.7 . 1 766 76 GLN CB C 27.9 . 1 767 76 GLN CG C 33.6 . 1 768 76 GLN N N 123.1 . 1 769 76 GLN NE2 N 112.9 . 1 770 77 LYS H H 8.24 . 1 771 77 LYS HA H 4.00 . 1 772 77 LYS HB2 H 1.64 . 2 773 77 LYS HB3 H 1.79 . 2 774 77 LYS HG2 H 1.27 . 2 775 77 LYS HG3 H 1.34 . 2 776 77 LYS HD2 H 1.57 . 2 777 77 LYS HD3 H 1.57 . 2 778 77 LYS HE2 H 2.86 . 2 779 77 LYS HE3 H 2.86 . 2 780 77 LYS CA C 59.2 . 1 781 77 LYS CB C 31.9 . 1 782 77 LYS CG C 24.4 . 1 783 77 LYS CD C 28.9 . 1 784 77 LYS CE C 41.9 . 1 785 77 LYS N N 121.0 . 1 786 78 ASP H H 7.39 . 1 787 78 ASP HA H 4.17 . 1 788 78 ASP HB2 H 2.39 . 2 789 78 ASP HB3 H 2.65 . 2 790 78 ASP CA C 57.0 . 1 791 78 ASP CB C 41.4 . 1 792 78 ASP N N 117.8 . 1 793 79 LEU H H 7.69 . 1 794 79 LEU HA H 3.77 . 1 795 79 LEU HB2 H 1.37 . 2 796 79 LEU HB3 H 1.84 . 2 797 79 LEU HG H 1.44 . 1 798 79 LEU HD1 H 0.90 . 2 799 79 LEU HD2 H 0.85 . 2 800 79 LEU CA C 58.1 . 1 801 79 LEU CB C 42.1 . 1 802 79 LEU CG C 27.0 . 1 803 79 LEU CD1 C 25.3 . 2 804 79 LEU CD2 C 25.8 . 2 805 79 LEU N N 118.4 . 1 806 80 SER H H 8.40 . 1 807 80 SER HA H 4.17 . 1 808 80 SER HB2 H 3.92 . 2 809 80 SER HB3 H 3.92 . 2 810 80 SER CA C 61.5 . 1 811 80 SER CB C 62.5 . 1 812 80 SER N N 114.0 . 1 813 81 GLU H H 7.93 . 1 814 81 GLU HA H 4.03 . 1 815 81 GLU HB2 H 1.89 . 2 816 81 GLU HB3 H 1.98 . 2 817 81 GLU HG2 H 2.00 . 2 818 81 GLU HG3 H 2.00 . 2 819 81 GLU CA C 59.0 . 1 820 81 GLU CB C 29.0 . 1 821 81 GLU CG C 36.0 . 1 822 81 GLU N N 121.0 . 1 823 82 LEU H H 7.87 . 1 824 82 LEU HA H 3.89 . 1 825 82 LEU HB2 H 1.98 . 2 826 82 LEU HB3 H 1.37 . 2 827 82 LEU HG H 1.95 . 1 828 82 LEU HD1 H 0.73 . 2 829 82 LEU HD2 H 1.24 . 2 830 82 LEU CA C 57.9 . 1 831 82 LEU CB C 43.9 . 1 832 82 LEU CG C 27.5 . 1 833 82 LEU CD1 C 25.1 . 2 834 82 LEU CD2 C 23.9 . 2 835 82 LEU N N 120.9 . 1 836 83 GLN H H 8.52 . 1 837 83 GLN HA H 3.90 . 1 838 83 GLN HB2 H 2.22 . 2 839 83 GLN HB3 H 1.95 . 2 840 83 GLN HG2 H 2.27 . 2 841 83 GLN HG3 H 2.53 . 2 842 83 GLN HE21 H 7.10 . 2 843 83 GLN HE22 H 6.81 . 2 844 83 GLN CA C 59.2 . 1 845 83 GLN CB C 28.3 . 1 846 83 GLN CG C 34.4 . 1 847 83 GLN N N 118.3 . 1 848 83 GLN NE2 N 110.2 . 1 849 84 ASP H H 8.14 . 1 850 84 ASP HA H 4.34 . 1 851 84 ASP HB2 H 2.57 . 2 852 84 ASP HB3 H 2.73 . 2 853 84 ASP CA C 57.1 . 1 854 84 ASP CB C 41.0 . 1 855 84 ASP N N 119.7 . 1 856 85 ALA H H 7.74 . 1 857 85 ALA HA H 3.81 . 1 858 85 ALA HB H 0.78 . 1 859 85 ALA CA C 54.6 . 1 860 85 ALA CB C 16.2 . 1 861 85 ALA N N 121.6 . 1 862 86 LYS H H 8.07 . 1 863 86 LYS HA H 3.81 . 1 864 86 LYS HB2 H 1.70 . 2 865 86 LYS HB3 H 1.93 . 2 866 86 LYS HG2 H 1.41 . 2 867 86 LYS HG3 H 1.63 . 2 868 86 LYS HD2 H 1.59 . 2 869 86 LYS HD3 H 1.59 . 2 870 86 LYS HE2 H 3.10 . 2 871 86 LYS HE3 H 2.89 . 2 872 86 LYS CA C 60.6 . 1 873 86 LYS CB C 33.3 . 1 874 86 LYS CG C 25.4 . 1 875 86 LYS CD C 30.7 . 1 876 86 LYS CE C 41.9 . 1 877 86 LYS N N 120.2 . 1 878 87 LEU H H 7.78 . 1 879 87 LEU HA H 4.16 . 1 880 87 LEU HB2 H 1.62 . 2 881 87 LEU HB3 H 1.74 . 2 882 87 LEU HG H 1.66 . 1 883 87 LEU HD1 H 0.87 . 2 884 87 LEU HD2 H 0.86 . 2 885 87 LEU CA C 57.5 . 1 886 87 LEU CB C 41.9 . 1 887 87 LEU CG C 26.7 . 1 888 87 LEU CD1 C 24.5 . 2 889 87 LEU CD2 C 24.1 . 2 890 87 LEU N N 118.4 . 1 891 88 LYS H H 7.90 . 1 892 88 LYS HA H 3.96 . 1 893 88 LYS HB2 H 1.79 . 2 894 88 LYS HB3 H 1.81 . 2 895 88 LYS HG2 H 1.50 . 2 896 88 LYS HG3 H 1.38 . 2 897 88 LYS HD2 H 1.61 . 2 898 88 LYS HD3 H 1.60 . 2 899 88 LYS HE2 H 2.94 . 2 900 88 LYS HE3 H 2.94 . 2 901 88 LYS CA C 59.2 . 1 902 88 LYS CB C 32.0 . 1 903 88 LYS CG C 25.4 . 1 904 88 LYS CD C 28.9 . 1 905 88 LYS CE C 41.8 . 1 906 88 LYS N N 118.7 . 1 907 89 ALA H H 8.00 . 1 908 89 ALA HA H 4.15 . 1 909 89 ALA HB H 1.53 . 1 910 89 ALA CA C 54.5 . 1 911 89 ALA CB C 17.8 . 1 912 89 ALA N N 122.4 . 1 913 90 GLU H H 8.30 . 1 914 90 GLU HA H 3.93 . 1 915 90 GLU HB2 H 2.24 . 2 916 90 GLU HB3 H 1.98 . 2 917 90 GLU HG2 H 2.23 . 2 918 90 GLU HG3 H 2.59 . 2 919 90 GLU CA C 58.0 . 1 920 90 GLU CB C 29.7 . 1 921 90 GLU CG C 37.2 . 1 922 90 GLU N N 116.7 . 1 923 91 GLY HA2 H 4.07 . 2 924 91 GLY H H 7.71 . 1 925 91 GLY HA3 H 3.87 . 2 926 91 GLY CA C 45.5 . 1 927 91 GLY N N 106.0 . 1 928 92 LEU H H 7.64 . 1 929 92 LEU HA H 4.27 . 1 930 92 LEU HB2 H 1.76 . 2 931 92 LEU HB3 H 1.52 . 2 932 92 LEU HG H 1.75 . 1 933 92 LEU HD1 H 0.91 . 2 934 92 LEU HD2 H 0.84 . 2 935 92 LEU CA C 55.2 . 1 936 92 LEU CB C 42.1 . 1 937 92 LEU CG C 26.6 . 1 938 92 LEU CD1 C 25.2 . 2 939 92 LEU CD2 C 22.7 . 2 940 92 LEU N N 121.2 . 1 941 93 GLU H H 8.29 . 1 942 93 GLU HA H 4.13 . 1 943 93 GLU HB2 H 1.90 . 2 944 93 GLU HB3 H 1.89 . 2 945 93 GLU HG2 H 2.10 . 2 946 93 GLU HG3 H 2.19 . 2 947 93 GLU CA C 56.7 . 1 948 93 GLU CB C 29.7 . 1 949 93 GLU CG C 36.0 . 1 950 93 GLU N N 120.2 . 1 951 94 HIS H H 8.26 . 1 952 94 HIS HA H 4.56 . 1 953 94 HIS HB2 H 3.07 . 2 954 94 HIS HB3 H 3.08 . 2 955 94 HIS CA C 55.4 . 1 956 94 HIS CB C 29.7 . 1 957 94 HIS N N 118.9 . 1 958 95 HIS H H 8.17 . 1 959 95 HIS HA H 4.41 . 1 960 95 HIS HB2 H 3.19 . 2 961 95 HIS HB3 H 3.18 . 2 962 95 HIS CA C 57.0 . 1 963 95 HIS CB C 30.0 . 1 964 95 HIS N N 125.4 . 1 cwd: /data/PSVS/PSVS-v1.4-dev/results/SRR115C_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/SRR115C_R3Cons_em_bcr3/rpf_calc/input/ctrl_file -o rpf_calc -q SRR115C_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: SRR115C_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: SRR115C_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: SRR115C_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: SRR115C_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: SRR115C_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: SRR115C_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: SRR115C_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: SRR115C_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: SRR115C_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: SRR115C_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: SRR115C_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: SRR115C_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: SRR115C_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: SRR115C_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: SRR115C_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: SRR115C_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: SRR115C_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: SRR115C_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: SRR115C_R3Cons_em_bcr3.pdb.iupac  Reading ComparePdbFile: SRR115C_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 ...