AS object created. control filepath is: /data/PSVS/PSVS-v1.4-dev/results/SR213_R3_em_bcr3/rpf_calc/input/ctrl_file bmrb: chem_shift.bmrb sequence: SR213_R3_em_bcr3_seq.bmrb parsing bmrb: /data/PSVS/PSVS-v1.4-dev/results/SR213_R3_em_bcr3/rpf_calc/input/chem_shift.bmrb new residue 6 adding: *1* *6* *Leu* *HA* *H* *4.23* *.* *1* old residue 6 adding: *2* *6* *Leu* *HB2* *H* *1.44* *.* *2* old residue 6 adding: *3* *6* *Leu* *HB3* *H* *1.79* *.* *2* old residue 6 adding: *4* *6* *Leu* *HG* *H* *1.37* *.* *1* old residue 6 adding: *5* *6* *Leu* *HD1* *H* *0.66* *.* *2* old residue 6 adding: *6* *6* *Leu* *HD2* *H* *0.58* *.* *2* old residue 6 adding: *7* *6* *Leu* *CA* *C* *58.0* *.* *1* old residue 6 adding: *8* *6* *Leu* *CB* *C* *40.9* *.* *1* old residue 6 adding: *9* *6* *Leu* *CG* *C* *26.5* *.* *1* old residue 6 adding: *10* *6* *Leu* *CD1* *C* *26.5* *.* *1* old residue 6 adding: *11* *6* *Leu* *CD2* *C* *23.9* *.* *1* new residue 7 adding: *12* *7* *Leu* *H* *H* *8.97* *.* *1* old residue 7 adding: *13* *7* *Leu* *HA* *H* *3.97* *.* *1* old residue 7 adding: *14* *7* *Leu* *HB2* *H* *1.64* *.* *2* old residue 7 adding: *15* *7* *Leu* *HB3* *H* *1.91* *.* *2* old residue 7 adding: *16* *7* *Leu* *HG* *H* *1.62* *.* *1* old residue 7 adding: *17* *7* *Leu* *HD1* *H* *0.96* *.* *2* old residue 7 adding: *18* *7* *Leu* *HD2* *H* *0.94* *.* *2* old residue 7 adding: *19* *7* *Leu* *CA* *C* *58.5* *.* *1* old residue 7 adding: *20* *7* *Leu* *CB* *C* *41.0* *.* *1* old residue 7 adding: *21* *7* *Leu* *CG* *C* *26.8* *.* *1* old residue 7 adding: *22* *7* *Leu* *CD1* *C* *25.5* *.* *1* old residue 7 adding: *23* *7* *Leu* *CD2* *C* *23.0* *.* *1* old residue 7 adding: *24* *7* *Leu* *N* *N* *124.3* *.* *1* new residue 8 adding: *25* *8* *Glu* *H* *H* *7.91* *.* *1* old residue 8 adding: *26* *8* *Glu* *HA* *H* *4.04* *.* *1* old residue 8 adding: *27* *8* *Glu* *HB2* *H* *2.05* *.* *2* old residue 8 adding: *28* *8* *Glu* *HB3* *H* *2.31* *.* *2* old residue 8 adding: *29* *8* *Glu* *HG2* *H* *2.29* *.* *2* old residue 8 adding: *30* *8* *Glu* *HG3* *H* *2.40* *.* *2* old residue 8 adding: *31* *8* *Glu* *CA* *C* *59.5* *.* *1* old residue 8 adding: *32* *8* *Glu* *CB* *C* *29.2* *.* *1* old residue 8 adding: *33* *8* *Glu* *CG* *C* *36.8* *.* *1* old residue 8 adding: *34* *8* *Glu* *N* *N* *119.0* *.* *1* new residue 9 adding: *35* *9* *Met* *H* *H* *8.52* *.* *1* old residue 9 adding: *36* *9* *Met* *HA* *H* *4.03* *.* *1* old residue 9 adding: *37* *9* *Met* *HB2* *H* *2.52* *.* *1* old residue 9 adding: *38* *9* *Met* *HB3* *H* *2.52* *.* *1* old residue 9 adding: *39* *9* *Met* *HG2* *H* *2.42* *.* *2* old residue 9 adding: *40* *9* *Met* *HG3* *H* *2.78* *.* *2* old residue 9 adding: *41* *9* *Met* *HE* *H* *2.00* *.* *1* old residue 9 adding: *42* *9* *Met* *CA* *C* *59.9* *.* *1* old residue 9 adding: *43* *9* *Met* *CB* *C* *36.0* *.* *1* old residue 9 adding: *44* *9* *Met* *CG* *C* *32.9* *.* *1* old residue 9 adding: *45* *9* *Met* *CE* *C* *17.6* *.* *1* old residue 9 adding: *46* *9* *Met* *N* *N* *117.5* *.* *1* new residue 10 adding: *47* *10* *Thr* *H* *H* *8.47* *.* *1* old residue 10 adding: *48* *10* *Thr* *HA* *H* *3.55* *.* *1* old residue 10 adding: *49* *10* *Thr* *HB* *H* *4.49* *.* *1* old residue 10 adding: *50* *10* *Thr* *HG1* *H* *5.21* *.* *1* old residue 10 adding: *51* *10* *Thr* *HG2* *H* *1.21* *.* *1* old residue 10 adding: *52* *10* *Thr* *CA* *C* *67.2* *.* *1* old residue 10 adding: *53* *10* *Thr* *CB* *C* *68.5* *.* *1* old residue 10 adding: *54* *10* *Thr* *CG2* *C* *22.6* *.* *1* old residue 10 adding: *55* *10* *Thr* *N* *N* *116.6* *.* *1* new residue 11 adding: *56* *11* *Glu* *H* *H* *8.50* *.* *1* old residue 11 adding: *57* *11* *Glu* *HA* *H* *3.91* *.* *1* old residue 11 adding: *58* *11* *Glu* *HB2* *H* *2.08* *.* *2* old residue 11 adding: *59* *11* *Glu* *HB3* *H* *1.97* *.* *2* old residue 11 adding: *60* *11* *Glu* *HG2* *H* *2.06* *.* *2* old residue 11 adding: *61* *11* *Glu* *HG3* *H* *2.46* *.* *2* old residue 11 adding: *62* *11* *Glu* *CA* *C* *59.4* *.* *1* old residue 11 adding: *63* *11* *Glu* *CB* *C* *29.2* *.* *1* old residue 11 adding: *64* *11* *Glu* *CG* *C* *36.8* *.* *1* old residue 11 adding: *65* *11* *Glu* *N* *N* *119.4* *.* *1* new residue 12 adding: *66* *12* *Gln* *H* *H* *8.14* *.* *1* old residue 12 adding: *67* *12* *Gln* *HA* *H* *4.10* *.* *1* old residue 12 adding: *68* *12* *Gln* *HB2* *H* *2.09* *.* *2* old residue 12 adding: *69* *12* *Gln* *HB3* *H* *2.26* *.* *2* old residue 12 adding: *70* *12* *Gln* *HG2* *H* *2.32* *.* *2* old residue 12 adding: *71* *12* *Gln* *HG3* *H* *2.50* *.* *2* old residue 12 adding: *72* *12* *Gln* *HE21* *H* *7.34* *.* *2* old residue 12 adding: *73* *12* *Gln* *HE22* *H* *6.70* *.* *2* old residue 12 adding: *74* *12* *Gln* *CA* *C* *59.0* *.* *1* old residue 12 adding: *75* *12* *Gln* *CB* *C* *27.8* *.* *1* old residue 12 adding: *76* *12* *Gln* *CG* *C* *33.7* *.* *1* old residue 12 adding: *77* *12* *Gln* *N* *N* *120.4* *.* *1* old residue 12 adding: *78* *12* *Gln* *NE2* *N* *110.1* *.* *1* new residue 13 adding: *79* *13* *Met* *H* *H* *8.12* *.* *1* old residue 13 adding: *80* *13* *Met* *HA* *H* *3.71* *.* *1* old residue 13 adding: *81* *13* *Met* *HB2* *H* *1.20* *.* *2* old residue 13 adding: *82* *13* *Met* *HB3* *H* *1.61* *.* *2* old residue 13 adding: *83* *13* *Met* *HG2* *H* *1.20* *.* *1* old residue 13 adding: *84* *13* *Met* *HG3* *H* *1.20* *.* *1* old residue 13 adding: *85* *13* *Met* *HE* *H* *0.30* *.* *1* old residue 13 adding: *86* *13* *Met* *CA* *C* *59.6* *.* *1* old residue 13 adding: *87* *13* *Met* *CB* *C* *33.3* *.* *1* old residue 13 adding: *88* *13* *Met* *CG* *C* *33.4* *.* *1* old residue 13 adding: *89* *13* *Met* *CE* *C* *14.2* *.* *1* old residue 13 adding: *90* *13* *Met* *N* *N* *118.5* *.* *1* new residue 14 adding: *91* *14* *Ile* *H* *H* *8.04* *.* *1* old residue 14 adding: *92* *14* *Ile* *HA* *H* *3.27* *.* *1* old residue 14 adding: *93* *14* *Ile* *HB* *H* *1.75* *.* *1* old residue 14 adding: *94* *14* *Ile* *HG12* *H* *1.53* *.* *1* old residue 14 adding: *95* *14* *Ile* *HG13* *H* *1.53* *.* *1* old residue 14 adding: *96* *14* *Ile* *HG2* *H* *0.80* *.* *1* old residue 14 adding: *97* *14* *Ile* *HD1* *H* *0.22* *.* *1* old residue 14 adding: *98* *14* *Ile* *CA* *C* *65.7* *.* *1* old residue 14 adding: *99* *14* *Ile* *CB* *C* *38.0* *.* *1* old residue 14 adding: *100* *14* *Ile* *CG1* *C* *29.6* *.* *1* old residue 14 adding: *101* *14* *Ile* *CG2* *C* *16.7* *.* *1* old residue 14 adding: *102* *14* *Ile* *CD1* *C* *12.6* *.* *1* old residue 14 adding: *103* *14* *Ile* *N* *N* *119.4* *.* *1* new residue 15 adding: *104* *15* *Glu* *H* *H* *7.70* *.* *1* old residue 15 adding: *105* *15* *Glu* *HA* *H* *4.11* *.* *1* old residue 15 adding: *106* *15* *Glu* *HB2* *H* *2.07* *.* *2* old residue 15 adding: *107* *15* *Glu* *HB3* *H* *2.16* *.* *2* old residue 15 adding: *108* *15* *Glu* *HG2* *H* *2.21* *.* *2* old residue 15 adding: *109* *15* *Glu* *HG3* *H* *2.38* *.* *2* old residue 15 adding: *110* *15* *Glu* *CA* *C* *59.3* *.* *1* old residue 15 adding: *111* *15* *Glu* *CB* *C* *29.2* *.* *1* old residue 15 adding: *112* *15* *Glu* *CG* *C* *36.4* *.* *1* old residue 15 adding: *113* *15* *Glu* *N* *N* *119.0* *.* *1* new residue 16 adding: *114* *16* *Val* *H* *H* *8.41* *.* *1* old residue 16 adding: *115* *16* *Val* *HA* *H* *3.53* *.* *1* old residue 16 adding: *116* *16* *Val* *HB* *H* *2.29* *.* *1* old residue 16 adding: *117* *16* *Val* *HG1* *H* *0.78* *.* *2* old residue 16 adding: *118* *16* *Val* *HG2* *H* *1.24* *.* *2* old residue 16 adding: *119* *16* *Val* *CA* *C* *66.6* *.* *1* old residue 16 adding: *120* *16* *Val* *CB* *C* *31.9* *.* *1* old residue 16 adding: *121* *16* *Val* *CG1* *C* *22.9* *.* *1* old residue 16 adding: *122* *16* *Val* *CG2* *C* *21.8* *.* *1* old residue 16 adding: *123* *16* *Val* *N* *N* *119.5* *.* *1* new residue 17 adding: *124* *17* *Ala* *H* *H* *8.60* *.* *1* old residue 17 adding: *125* *17* *Ala* *HA* *H* *4.08* *.* *1* old residue 17 adding: *126* *17* *Ala* *HB* *H* *1.45* *.* *1* old residue 17 adding: *127* *17* *Ala* *CA* *C* *54.7* *.* *1* old residue 17 adding: *128* *17* *Ala* *CB* *C* *17.7* *.* *1* old residue 17 adding: *129* *17* *Ala* *N* *N* *123.1* *.* *1* new residue 18 adding: *130* *18* *Glu* *H* *H* *8.85* *.* *1* old residue 18 adding: *131* *18* *Glu* *HA* *H* *3.99* *.* *1* old residue 18 adding: *132* *18* *Glu* *HB2* *H* *2.23* *.* *2* old residue 18 adding: *133* *18* *Glu* *HB3* *H* *1.96* *.* *2* old residue 18 adding: *134* *18* *Glu* *HG2* *H* *2.14* *.* *2* old residue 18 adding: *135* *18* *Glu* *HG3* *H* *2.68* *.* *2* old residue 18 adding: *136* *18* *Glu* *CA* *C* *59.5* *.* *1* old residue 18 adding: *137* *18* *Glu* *CB* *C* *29.7* *.* *1* old residue 18 adding: *138* *18* *Glu* *CG* *C* *37.3* *.* *1* old residue 18 adding: *139* *18* *Glu* *N* *N* *117.9* *.* *1* new residue 19 adding: *140* *19* *Lys* *H* *H* *8.75* *.* *1* old residue 19 adding: *141* *19* *Lys* *HA* *H* *4.15* *.* *1* old residue 19 adding: *142* *19* *Lys* *HB2* *H* *2.00* *.* *2* old residue 19 adding: *143* *19* *Lys* *HB3* *H* *1.74* *.* *2* old residue 19 adding: *144* *19* *Lys* *HG2* *H* *1.54* *.* *2* old residue 19 adding: *145* *19* *Lys* *HG3* *H* *1.69* *.* *2* old residue 19 adding: *146* *19* *Lys* *HD2* *H* *1.67* *.* *1* old residue 19 adding: *147* *19* *Lys* *HD3* *H* *1.67* *.* *1* old residue 19 adding: *148* *19* *Lys* *HE2* *H* *2.96* *.* *1* old residue 19 adding: *149* *19* *Lys* *HE3* *H* *2.96* *.* *1* old residue 19 adding: *150* *19* *Lys* *CA* *C* *58.7* *.* *1* old residue 19 adding: *151* *19* *Lys* *CB* *C* *31.9* *.* *1* old residue 19 adding: *152* *19* *Lys* *CG* *C* *25.7* *.* *1* old residue 19 adding: *153* *19* *Lys* *CD* *C* *28.8* *.* *1* old residue 19 adding: *154* *19* *Lys* *CE* *C* *42.1* *.* *1* old residue 19 adding: *155* *19* *Lys* *N* *N* *119.2* *.* *1* new residue 20 adding: *156* *20* *Gly* *H* *H* *8.64* *.* *1* old residue 20 adding: *157* *20* *Gly* *HA2* *H* *3.79* *.* *2* old residue 20 adding: *158* *20* *Gly* *HA3* *H* *3.50* *.* *2* old residue 20 adding: *159* *20* *Gly* *CA* *C* *46.4* *.* *1* old residue 20 adding: *160* *20* *Gly* *N* *N* *110.3* *.* *1* new residue 21 adding: *161* *21* *Ala* *H* *H* *8.55* *.* *1* old residue 21 adding: *162* *21* *Ala* *HA* *H* *4.49* *.* *1* old residue 21 adding: *163* *21* *Ala* *HB* *H* *1.68* *.* *1* old residue 21 adding: *164* *21* *Ala* *CA* *C* *55.1* *.* *1* old residue 21 adding: *165* *21* *Ala* *CB* *C* *17.3* *.* *1* old residue 21 adding: *166* *21* *Ala* *N* *N* *125.3* *.* *1* new residue 22 adding: *167* *22* *Asp* *H* *H* *7.66* *.* *1* old residue 22 adding: *168* *22* *Asp* *HA* *H* *4.46* *.* *1* old residue 22 adding: *169* *22* *Asp* *HB2* *H* *2.72* *.* *1* old residue 22 adding: *170* *22* *Asp* *HB3* *H* *2.72* *.* *1* old residue 22 adding: *171* *22* *Asp* *CA* *C* *56.9* *.* *1* old residue 22 adding: *172* *22* *Asp* *CB* *C* *40.5* *.* *1* old residue 22 adding: *173* *22* *Asp* *N* *N* *119.0* *.* *1* new residue 23 adding: *174* *23* *Arg* *H* *H* *8.11* *.* *1* old residue 23 adding: *175* *23* *Arg* *HA* *H* *4.00* *.* *1* old residue 23 adding: *176* *23* *Arg* *HB2* *H* *1.69* *.* *2* old residue 23 adding: *177* *23* *Arg* *HB3* *H* *1.82* *.* *2* old residue 23 adding: *178* *23* *Arg* *HG2* *H* *1.53* *.* *1* old residue 23 adding: *179* *23* *Arg* *HG3* *H* *1.53* *.* *1* old residue 23 adding: *180* *23* *Arg* *HD2* *H* *3.16* *.* *1* old residue 23 adding: *181* *23* *Arg* *HD3* *H* *3.16* *.* *1* old residue 23 adding: *182* *23* *Arg* *CA* *C* *59.2* *.* *1* old residue 23 adding: *183* *23* *Arg* *CB* *C* *30.7* *.* *1* old residue 23 adding: *184* *23* *Arg* *CG* *C* *27.0* *.* *1* old residue 23 adding: *185* *23* *Arg* *CD* *C* *43.1* *.* *1* old residue 23 adding: *186* *23* *Arg* *N* *N* *121.8* *.* *1* new residue 24 adding: *187* *24* *Tyr* *H* *H* *8.46* *.* *1* old residue 24 adding: *188* *24* *Tyr* *HA* *H* *3.78* *.* *1* old residue 24 adding: *189* *24* *Tyr* *HB2* *H* *2.11* *.* *2* old residue 24 adding: *190* *24* *Tyr* *HB3* *H* *2.39* *.* *2* old residue 24 adding: *191* *24* *Tyr* *HD1* *H* *6.42* *.* *1* old residue 24 adding: *192* *24* *Tyr* *HD2* *H* *6.42* *.* *1* old residue 24 adding: *193* *24* *Tyr* *HE1* *H* *6.24* *.* *1* old residue 24 adding: *194* *24* *Tyr* *HE2* *H* *6.24* *.* *1* old residue 24 adding: *195* *24* *Tyr* *CA* *C* *60.9* *.* *1* old residue 24 adding: *196* *24* *Tyr* *CB* *C* *39.4* *.* *1* old residue 24 adding: *197* *24* *Tyr* *CD1* *C* *132.7* *.* *1* old residue 24 adding: *198* *24* *Tyr* *CE1* *C* *115.5* *.* *1* old residue 24 adding: *199* *24* *Tyr* *N* *N* *120.4* *.* *1* new residue 25 adding: *200* *25* *Gln* *H* *H* *7.54* *.* *1* old residue 25 adding: *201* *25* *Gln* *HA* *H* *3.75* *.* *1* old residue 25 adding: *202* *25* *Gln* *HB2* *H* *2.16* *.* *2* old residue 25 adding: *203* *25* *Gln* *HB3* *H* *2.19* *.* *2* old residue 25 adding: *204* *25* *Gln* *HG2* *H* *2.46* *.* *1* old residue 25 adding: *205* *25* *Gln* *HG3* *H* *2.46* *.* *1* old residue 25 adding: *206* *25* *Gln* *CA* *C* *57.8* *.* *1* old residue 25 adding: *207* *25* *Gln* *CB* *C* *28.4* *.* *1* old residue 25 adding: *208* *25* *Gln* *CG* *C* *33.5* *.* *1* old residue 25 adding: *209* *25* *Gln* *N* *N* *117.5* *.* *1* new residue 26 adding: *210* *26* *Glu* *H* *H* *7.98* *.* *1* old residue 26 adding: *211* *26* *Glu* *HA* *H* *4.01* *.* *1* old residue 26 adding: *212* *26* *Glu* *HB2* *H* *2.03* *.* *1* old residue 26 adding: *213* *26* *Glu* *HB3* *H* *2.03* *.* *1* old residue 26 adding: *214* *26* *Glu* *HG2* *H* *2.24* *.* *2* old residue 26 adding: *215* *26* *Glu* *HG3* *H* *2.34* *.* *2* old residue 26 adding: *216* *26* *Glu* *CA* *C* *57.9* *.* *1* old residue 26 adding: *217* *26* *Glu* *CB* *C* *29.7* *.* *1* old residue 26 adding: *218* *26* *Glu* *CG* *C* *36.0* *.* *1* old residue 26 adding: *219* *26* *Glu* *N* *N* *117.9* *.* *1* new residue 32 adding: *220* *32* *His* *HA* *H* *4.62* *.* *1* old residue 32 adding: *221* *32* *His* *HB2* *H* *3.75* *.* *1* old residue 32 adding: *222* *32* *His* *HB3* *H* *3.75* *.* *1* old residue 32 adding: *223* *32* *His* *CA* *C* *56.9* *.* *1* new residue 33 adding: *224* *33* *Ser* *HA* *H* *4.61* *.* *1* old residue 33 adding: *225* *33* *Ser* *HB2* *H* *3.73* *.* *1* old residue 33 adding: *226* *33* *Ser* *HB3* *H* *3.73* *.* *1* old residue 33 adding: *227* *33* *Ser* *CA* *C* *56.9* *.* *1* old residue 33 adding: *228* *33* *Ser* *CB* *C* *64.0* *.* *1* new residue 34 adding: *229* *34* *Tyr* *HA* *H* *4.63* *.* *1* old residue 34 adding: *230* *34* *Tyr* *HB2* *H* *2.76* *.* *1* old residue 34 adding: *231* *34* *Tyr* *HB3* *H* *2.76* *.* *1* old residue 34 adding: *232* *34* *Tyr* *HD1* *H* *7.43* *.* *1* old residue 34 adding: *233* *34* *Tyr* *HD2* *H* *7.43* *.* *1* old residue 34 adding: *234* *34* *Tyr* *HE1* *H* *6.99* *.* *1* old residue 34 adding: *235* *34* *Tyr* *HE2* *H* *6.99* *.* *1* old residue 34 adding: *236* *34* *Tyr* *CA* *C* *56.9* *.* *1* old residue 34 adding: *237* *34* *Tyr* *CB* *C* *40.7* *.* *1* old residue 34 adding: *238* *34* *Tyr* *CD1* *C* *133.5* *.* *1* old residue 34 adding: *239* *34* *Tyr* *CE1* *C* *117.5* *.* *1* new residue 36 adding: *240* *36* *Phe* *HA* *H* *3.91* *.* *1* old residue 36 adding: *241* *36* *Phe* *HB2* *H* *2.63* *.* *2* old residue 36 adding: *242* *36* *Phe* *HB3* *H* *3.15* *.* *2* old residue 36 adding: *243* *36* *Phe* *HD1* *H* *6.40* *.* *1* old residue 36 adding: *244* *36* *Phe* *HD2* *H* *6.40* *.* *1* old residue 36 adding: *245* *36* *Phe* *HE1* *H* *7.04* *.* *1* old residue 36 adding: *246* *36* *Phe* *HE2* *H* *7.04* *.* *1* old residue 36 adding: *247* *36* *Phe* *HZ* *H* *7.13* *.* *1* old residue 36 adding: *248* *36* *Phe* *CA* *C* *62.0* *.* *1* old residue 36 adding: *249* *36* *Phe* *CB* *C* *39.2* *.* *1* old residue 36 adding: *250* *36* *Phe* *CD1* *C* *130.8* *.* *1* old residue 36 adding: *251* *36* *Phe* *CE1* *C* *130.5* *.* *1* old residue 36 adding: *252* *36* *Phe* *CZ* *C* *129.1* *.* *1* new residue 37 adding: *253* *37* *Phe* *H* *H* *8.09* *.* *1* old residue 37 adding: *254* *37* *Phe* *HA* *H* *3.98* *.* *1* old residue 37 adding: *255* *37* *Phe* *HB2* *H* *3.13* *.* *1* old residue 37 adding: *256* *37* *Phe* *HB3* *H* *3.13* *.* *1* old residue 37 adding: *257* *37* *Phe* *HD1* *H* *7.45* *.* *1* old residue 37 adding: *258* *37* *Phe* *HD2* *H* *7.45* *.* *1* old residue 37 adding: *259* *37* *Phe* *HE1* *H* *7.47* *.* *1* old residue 37 adding: *260* *37* *Phe* *HE2* *H* *7.47* *.* *1* old residue 37 adding: *261* *37* *Phe* *HZ* *H* *7.36* *.* *1* old residue 37 adding: *262* *37* *Phe* *CA* *C* *61.6* *.* *1* old residue 37 adding: *263* *37* *Phe* *CB* *C* *38.6* *.* *1* old residue 37 adding: *264* *37* *Phe* *CD1* *C* *131.2* *.* *1* old residue 37 adding: *265* *37* *Phe* *CE1* *C* *130.6* *.* *1* old residue 37 adding: *266* *37* *Phe* *CZ* *C* *129.3* *.* *1* old residue 37 adding: *267* *37* *Phe* *N* *N* *116.2* *.* *1* new residue 38 adding: *268* *38* *Glu* *H* *H* *9.00* *.* *1* old residue 38 adding: *269* *38* *Glu* *HA* *H* *4.13* *.* *1* old residue 38 adding: *270* *38* *Glu* *HB2* *H* *1.96* *.* *2* old residue 38 adding: *271* *38* *Glu* *HB3* *H* *2.06* *.* *2* old residue 38 adding: *272* *38* *Glu* *HG2* *H* *2.26* *.* *2* old residue 38 adding: *273* *38* *Glu* *HG3* *H* *2.36* *.* *2* old residue 38 adding: *274* *38* *Glu* *CA* *C* *57.7* *.* *1* old residue 38 adding: *275* *38* *Glu* *CB* *C* *30.6* *.* *1* old residue 38 adding: *276* *38* *Glu* *CG* *C* *36.3* *.* *1* old residue 38 adding: *277* *38* *Glu* *N* *N* *116.0* *.* *1* new residue 39 adding: *278* *39* *Thr* *H* *H* *7.39* *.* *1* old residue 39 adding: *279* *39* *Thr* *HA* *H* *4.28* *.* *1* old residue 39 adding: *280* *39* *Thr* *HB* *H* *4.08* *.* *1* old residue 39 adding: *281* *39* *Thr* *HG2* *H* *0.94* *.* *1* old residue 39 adding: *282* *39* *Thr* *CA* *C* *64.1* *.* *1* old residue 39 adding: *283* *39* *Thr* *CB* *C* *70.0* *.* *1* old residue 39 adding: *284* *39* *Thr* *CG2* *C* *22.5* *.* *1* old residue 39 adding: *285* *39* *Thr* *N* *N* *110.4* *.* *1* new residue 40 adding: *286* *40* *Ile* *H* *H* *7.25* *.* *1* old residue 40 adding: *287* *40* *Ile* *HA* *H* *2.57* *.* *1* old residue 40 adding: *288* *40* *Ile* *HB* *H* *1.47* *.* *1* old residue 40 adding: *289* *40* *Ile* *HG12* *H* *0.20* *.* *2* old residue 40 adding: *290* *40* *Ile* *HG13* *H* *1.13* *.* *2* old residue 40 adding: *291* *40* *Ile* *HG2* *H* *0.51* *.* *1* old residue 40 adding: *292* *40* *Ile* *HD1* *H* *0.77* *.* *1* old residue 40 adding: *293* *40* *Ile* *CA* *C* *65.8* *.* *1* old residue 40 adding: *294* *40* *Ile* *CB* *C* *37.3* *.* *1* old residue 40 adding: *295* *40* *Ile* *CG1* *C* *27.6* *.* *1* old residue 40 adding: *296* *40* *Ile* *CG2* *C* *16.6* *.* *1* old residue 40 adding: *297* *40* *Ile* *CD1* *C* *13.6* *.* *1* old residue 40 adding: *298* *40* *Ile* *N* *N* *120.9* *.* *1* new residue 41 adding: *299* *41* *Lys* *H* *H* *8.40* *.* *1* old residue 41 adding: *300* *41* *Lys* *HA* *H* *3.65* *.* *1* old residue 41 adding: *301* *41* *Lys* *HB2* *H* *1.60* *.* *1* old residue 41 adding: *302* *41* *Lys* *HB3* *H* *1.60* *.* *1* old residue 41 adding: *303* *41* *Lys* *CA* *C* *59.0* *.* *1* old residue 41 adding: *304* *41* *Lys* *CB* *C* *29.7* *.* *1* old residue 41 adding: *305* *41* *Lys* *N* *N* *118.8* *.* *1* new residue 42 adding: *306* *42* *Pro* *HA* *H* *4.28* *.* *1* old residue 42 adding: *307* *42* *Pro* *HB2* *H* *1.63* *.* *2* old residue 42 adding: *308* *42* *Pro* *HB3* *H* *2.17* *.* *2* old residue 42 adding: *309* *42* *Pro* *HG2* *H* *1.75* *.* *1* old residue 42 adding: *310* *42* *Pro* *HG3* *H* *1.75* *.* *1* old residue 42 adding: *311* *42* *Pro* *HD2* *H* *2.95* *.* *2* old residue 42 adding: *312* *42* *Pro* *HD3* *H* *3.32* *.* *2* old residue 42 adding: *313* *42* *Pro* *CA* *C* *65.3* *.* *1* old residue 42 adding: *314* *42* *Pro* *CB* *C* *30.2* *.* *1* old residue 42 adding: *315* *42* *Pro* *CG* *C* *27.9* *.* *1* old residue 42 adding: *316* *42* *Pro* *CD* *C* *49.4* *.* *1* new residue 43 adding: *317* *43* *Ala* *H* *H* *6.79* *.* *1* old residue 43 adding: *318* *43* *Ala* *HA* *H* *4.19* *.* *1* old residue 43 adding: *319* *43* *Ala* *HB* *H* *1.31* *.* *1* old residue 43 adding: *320* *43* *Ala* *CA* *C* *54.9* *.* *1* old residue 43 adding: *321* *43* *Ala* *CB* *C* *18.0* *.* *1* old residue 43 adding: *322* *43* *Ala* *N* *N* *119.5* *.* *1* new residue 44 adding: *323* *44* *Val* *H* *H* *8.38* *.* *1* old residue 44 adding: *324* *44* *Val* *HA* *H* *3.46* *.* *1* old residue 44 adding: *325* *44* *Val* *HB* *H* *2.15* *.* *1* old residue 44 adding: *326* *44* *Val* *HG1* *H* *0.94* *.* *2* old residue 44 adding: *327* *44* *Val* *HG2* *H* *0.91* *.* *2* old residue 44 adding: *328* *44* *Val* *CA* *C* *67.2* *.* *1* old residue 44 adding: *329* *44* *Val* *CB* *C* *31.5* *.* *1* old residue 44 adding: *330* *44* *Val* *CG1* *C* *22.8* *.* *1* old residue 44 adding: *331* *44* *Val* *CG2* *C* *21.1* *.* *1* old residue 44 adding: *332* *44* *Val* *N* *N* *120.5* *.* *1* new residue 45 adding: *333* *45* *Glu* *H* *H* *8.41* *.* *1* old residue 45 adding: *334* *45* *Glu* *HA* *H* *4.06* *.* *1* old residue 45 adding: *335* *45* *Glu* *HB2* *H* *2.00* *.* *2* old residue 45 adding: *336* *45* *Glu* *HB3* *H* *2.04* *.* *2* old residue 45 adding: *337* *45* *Glu* *HG2* *H* *2.26* *.* *2* old residue 45 adding: *338* *45* *Glu* *HG3* *H* *2.48* *.* *2* old residue 45 adding: *339* *45* *Glu* *CA* *C* *59.6* *.* *1* old residue 45 adding: *340* *45* *Glu* *CB* *C* *29.3* *.* *1* old residue 45 adding: *341* *45* *Glu* *CG* *C* *36.9* *.* *1* old residue 45 adding: *342* *45* *Glu* *N* *N* *118.4* *.* *1* new residue 46 adding: *343* *46* *Glu* *H* *H* *8.39* *.* *1* old residue 46 adding: *344* *46* *Glu* *HA* *H* *4.20* *.* *1* old residue 46 adding: *345* *46* *Glu* *HB2* *H* *2.03* *.* *2* old residue 46 adding: *346* *46* *Glu* *HB3* *H* *2.17* *.* *2* old residue 46 adding: *347* *46* *Glu* *HG2* *H* *2.31* *.* *1* old residue 46 adding: *348* *46* *Glu* *HG3* *H* *2.31* *.* *1* old residue 46 adding: *349* *46* *Glu* *CA* *C* *58.9* *.* *1* old residue 46 adding: *350* *46* *Glu* *CB* *C* *29.3* *.* *1* old residue 46 adding: *351* *46* *Glu* *CG* *C* *35.9* *.* *1* old residue 46 adding: *352* *46* *Glu* *N* *N* *118.8* *.* *1* new residue 47 adding: *353* *47* *Asn* *H* *H* *7.70* *.* *1* old residue 47 adding: *354* *47* *Asn* *HA* *H* *4.90* *.* *1* old residue 47 adding: *355* *47* *Asn* *HB2* *H* *2.72* *.* *2* old residue 47 adding: *356* *47* *Asn* *HB3* *H* *2.82* *.* *2* old residue 47 adding: *357* *47* *Asn* *HD21* *H* *7.49* *.* *2* old residue 47 adding: *358* *47* *Asn* *HD22* *H* *6.72* *.* *2* old residue 47 adding: *359* *47* *Asn* *CA* *C* *57.1* *.* *1* old residue 47 adding: *360* *47* *Asn* *CB* *C* *39.0* *.* *1* old residue 47 adding: *361* *47* *Asn* *N* *N* *118.0* *.* *1* old residue 47 adding: *362* *47* *Asn* *ND2* *N* *112.5* *.* *1* new residue 48 adding: *363* *48* *Asp* *H* *H* *8.81* *.* *1* old residue 48 adding: *364* *48* *Asp* *HA* *H* *4.52* *.* *1* old residue 48 adding: *365* *48* *Asp* *HB2* *H* *2.88* *.* *2* old residue 48 adding: *366* *48* *Asp* *HB3* *H* *2.96* *.* *2* old residue 48 adding: *367* *48* *Asp* *CA* *C* *57.8* *.* *1* old residue 48 adding: *368* *48* *Asp* *CB* *C* *41.7* *.* *1* old residue 48 adding: *369* *48* *Asp* *N* *N* *124.0* *.* *1* new residue 49 adding: *370* *49* *Glu* *H* *H* *7.31* *.* *1* old residue 49 adding: *371* *49* *Glu* *HA* *H* *4.07* *.* *1* old residue 49 adding: *372* *49* *Glu* *HB2* *H* *2.15* *.* *1* old residue 49 adding: *373* *49* *Glu* *HB3* *H* *2.15* *.* *1* old residue 49 adding: *374* *49* *Glu* *HG2* *H* *2.32* *.* *2* old residue 49 adding: *375* *49* *Glu* *HG3* *H* *2.45* *.* *2* old residue 49 adding: *376* *49* *Glu* *CA* *C* *59.5* *.* *1* old residue 49 adding: *377* *49* *Glu* *CB* *C* *29.3* *.* *1* old residue 49 adding: *378* *49* *Glu* *CG* *C* *35.9* *.* *1* old residue 49 adding: *379* *49* *Glu* *N* *N* *117.6* *.* *1* new residue 50 adding: *380* *50* *Leu* *H* *H* *7.59* *.* *1* old residue 50 adding: *381* *50* *Leu* *HA* *H* *4.16* *.* *1* old residue 50 adding: *382* *50* *Leu* *HB2* *H* *2.12* *.* *2* old residue 50 adding: *383* *50* *Leu* *HB3* *H* *1.68* *.* *2* old residue 50 adding: *384* *50* *Leu* *HG* *H* *1.56* *.* *1* old residue 50 adding: *385* *50* *Leu* *HD1* *H* *0.96* *.* *2* old residue 50 adding: *386* *50* *Leu* *HD2* *H* *1.00* *.* *2* old residue 50 adding: *387* *50* *Leu* *CA* *C* *58.0* *.* *1* old residue 50 adding: *388* *50* *Leu* *CB* *C* *41.8* *.* *1* old residue 50 adding: *389* *50* *Leu* *CG* *C* *26.8* *.* *1* old residue 50 adding: *390* *50* *Leu* *CD1* *C* *22.1* *.* *1* old residue 50 adding: *391* *50* *Leu* *CD2* *C* *26.4* *.* *1* old residue 50 adding: *392* *50* *Leu* *N* *N* *119.5* *.* *1* new residue 51 adding: *393* *51* *Ala* *H* *H* *8.62* *.* *1* old residue 51 adding: *394* *51* *Ala* *HA* *H* *4.21* *.* *1* old residue 51 adding: *395* *51* *Ala* *HB* *H* *1.63* *.* *1* old residue 51 adding: *396* *51* *Ala* *CA* *C* *54.9* *.* *1* old residue 51 adding: *397* *51* *Ala* *CB* *C* *18.6* *.* *1* old residue 51 adding: *398* *51* *Ala* *N* *N* *118.9* *.* *1* new residue 52 adding: *399* *52* *Ala* *H* *H* *8.41* *.* *1* old residue 52 adding: *400* *52* *Ala* *HA* *H* *4.21* *.* *1* old residue 52 adding: *401* *52* *Ala* *HB* *H* *1.59* *.* *1* old residue 52 adding: *402* *52* *Ala* *CA* *C* *55.1* *.* *1* old residue 52 adding: *403* *52* *Ala* *CB* *C* *18.4* *.* *1* old residue 52 adding: *404* *52* *Ala* *N* *N* *119.4* *.* *1* new residue 53 adding: *405* *53* *Arg* *H* *H* *8.07* *.* *1* old residue 53 adding: *406* *53* *Arg* *HA* *H* *4.13* *.* *1* old residue 53 adding: *407* *53* *Arg* *HB2* *H* *2.11* *.* *2* old residue 53 adding: *408* *53* *Arg* *HB3* *H* *1.90* *.* *2* old residue 53 adding: *409* *53* *Arg* *HG2* *H* *1.92* *.* *2* old residue 53 adding: *410* *53* *Arg* *HG3* *H* *1.81* *.* *2* old residue 53 adding: *411* *53* *Arg* *HD2* *H* *3.27* *.* *1* old residue 53 adding: *412* *53* *Arg* *HD3* *H* *3.27* *.* *1* old residue 53 adding: *413* *53* *Arg* *CA* *C* *59.1* *.* *1* old residue 53 adding: *414* *53* *Arg* *CB* *C* *30.9* *.* *1* old residue 53 adding: *415* *53* *Arg* *CG* *C* *27.8* *.* *1* old residue 53 adding: *416* *53* *Arg* *CD* *C* *43.5* *.* *1* old residue 53 adding: *417* *53* *Arg* *N* *N* *119.5* *.* *1* new residue 54 adding: *418* *54* *Trp* *H* *H* *9.27* *.* *1* old residue 54 adding: *419* *54* *Trp* *HA* *H* *3.83* *.* *1* old residue 54 adding: *420* *54* *Trp* *HB2* *H* *3.07* *.* *2* old residue 54 adding: *421* *54* *Trp* *HB3* *H* *3.44* *.* *2* old residue 54 adding: *422* *54* *Trp* *HD1* *H* *6.76* *.* *1* old residue 54 adding: *423* *54* *Trp* *HE1* *H* *9.82* *.* *1* old residue 54 adding: *424* *54* *Trp* *HE3* *H* *7.49* *.* *1* old residue 54 adding: *425* *54* *Trp* *HZ2* *H* *6.99* *.* *1* old residue 54 adding: *426* *54* *Trp* *HZ3* *H* *7.02* *.* *1* old residue 54 adding: *427* *54* *Trp* *HH2* *H* *6.74* *.* *1* old residue 54 adding: *428* *54* *Trp* *CA* *C* *62.4* *.* *1* old residue 54 adding: *429* *54* *Trp* *CB* *C* *29.2* *.* *1* old residue 54 adding: *430* *54* *Trp* *CD1* *C* *125.5* *.* *1* old residue 54 adding: *431* *54* *Trp* *CE3* *C* *120.2* *.* *1* old residue 54 adding: *432* *54* *Trp* *CZ2* *C* *112.5* *.* *1* old residue 54 adding: *433* *54* *Trp* *CZ3* *C* *120.3* *.* *1* old residue 54 adding: *434* *54* *Trp* *CH2* *C* *121.7* *.* *1* old residue 54 adding: *435* *54* *Trp* *N* *N* *124.0* *.* *1* old residue 54 adding: *436* *54* *Trp* *NE1* *N* *128.4* *.* *1* new residue 55 adding: *437* *55* *Ala* *H* *H* *8.81* *.* *1* old residue 55 adding: *438* *55* *Ala* *HA* *H* *3.22* *.* *1* old residue 55 adding: *439* *55* *Ala* *HB* *H* *1.52* *.* *1* old residue 55 adding: *440* *55* *Ala* *CA* *C* *55.1* *.* *1* old residue 55 adding: *441* *55* *Ala* *CB* *C* *17.5* *.* *1* old residue 55 adding: *442* *55* *Ala* *N* *N* *120.8* *.* *1* new residue 56 adding: *443* *56* *Glu* *H* *H* *7.46* *.* *1* old residue 56 adding: *444* *56* *Glu* *HA* *H* *3.88* *.* *1* old residue 56 adding: *445* *56* *Glu* *HB2* *H* *2.04* *.* *2* old residue 56 adding: *446* *56* *Glu* *HB3* *H* *2.10* *.* *2* old residue 56 adding: *447* *56* *Glu* *HG2* *H* *2.22* *.* *2* old residue 56 adding: *448* *56* *Glu* *HG3* *H* *2.38* *.* *2* old residue 56 adding: *449* *56* *Glu* *CA* *C* *59.2* *.* *1* old residue 56 adding: *450* *56* *Glu* *CB* *C* *29.5* *.* *1* old residue 56 adding: *451* *56* *Glu* *CG* *C* *36.0* *.* *1* old residue 56 adding: *452* *56* *Glu* *N* *N* *114.8* *.* *1* new residue 57 adding: *453* *57* *Gly* *H* *H* *7.65* *.* *1* old residue 57 adding: *454* *57* *Gly* *HA2* *H* *3.49* *.* *2* old residue 57 adding: *455* *57* *Gly* *HA3* *H* *3.85* *.* *2* old residue 57 adding: *456* *57* *Gly* *CA* *C* *47.1* *.* *1* old residue 57 adding: *457* *57* *Gly* *N* *N* *106.0* *.* *1* new residue 58 adding: *458* *58* *Ala* *H* *H* *8.95* *.* *1* old residue 58 adding: *459* *58* *Ala* *HA* *H* *3.64* *.* *1* old residue 58 adding: *460* *58* *Ala* *HB* *H* *0.34* *.* *1* old residue 58 adding: *461* *58* *Ala* *CA* *C* *54.5* *.* *1* old residue 58 adding: *462* *58* *Ala* *CB* *C* *16.7* *.* *1* old residue 58 adding: *463* *58* *Ala* *N* *N* *127.4* *.* *1* new residue 59 adding: *464* *59* *Leu* *H* *H* *8.37* *.* *1* old residue 59 adding: *465* *59* *Leu* *HA* *H* *3.92* *.* *1* old residue 59 adding: *466* *59* *Leu* *HB2* *H* *1.86* *.* *2* old residue 59 adding: *467* *59* *Leu* *HB3* *H* *1.31* *.* *2* old residue 59 adding: *468* *59* *Leu* *HG* *H* *1.82* *.* *1* old residue 59 adding: *469* *59* *Leu* *HD1* *H* *0.83* *.* *2* old residue 59 adding: *470* *59* *Leu* *HD2* *H* *0.84* *.* *2* old residue 59 adding: *471* *59* *Leu* *CA* *C* *57.3* *.* *1* old residue 59 adding: *472* *59* *Leu* *CB* *C* *40.8* *.* *1* old residue 59 adding: *473* *59* *Leu* *CG* *C* *27.0* *.* *1* old residue 59 adding: *474* *59* *Leu* *CD1* *C* *25.2* *.* *1* old residue 59 adding: *475* *59* *Leu* *CD2* *C* *23.4* *.* *1* old residue 59 adding: *476* *59* *Leu* *N* *N* *116.8* *.* *1* new residue 60 adding: *477* *60* *Glu* *H* *H* *7.31* *.* *1* old residue 60 adding: *478* *60* *Glu* *HA* *H* *4.03* *.* *1* old residue 60 adding: *479* *60* *Glu* *HB2* *H* *2.04* *.* *2* old residue 60 adding: *480* *60* *Glu* *HB3* *H* *2.08* *.* *2* old residue 60 adding: *481* *60* *Glu* *HG2* *H* *2.29* *.* *1* old residue 60 adding: *482* *60* *Glu* *HG3* *H* *2.29* *.* *1* old residue 60 adding: *483* *60* *Glu* *CA* *C* *58.8* *.* *1* old residue 60 adding: *484* *60* *Glu* *CB* *C* *28.9* *.* *1* old residue 60 adding: *485* *60* *Glu* *CG* *C* *35.6* *.* *1* old residue 60 adding: *486* *60* *Glu* *N* *N* *119.0* *.* *1* new residue 61 adding: *487* *61* *Leu* *H* *H* *7.70* *.* *1* old residue 61 adding: *488* *61* *Leu* *HA* *H* *4.00* *.* *1* old residue 61 adding: *489* *61* *Leu* *HB2* *H* *2.04* *.* *2* old residue 61 adding: *490* *61* *Leu* *HB3* *H* *1.38* *.* *2* old residue 61 adding: *491* *61* *Leu* *HG* *H* *1.44* *.* *1* old residue 61 adding: *492* *61* *Leu* *HD1* *H* *0.85* *.* *2* old residue 61 adding: *493* *61* *Leu* *HD2* *H* *0.72* *.* *2* old residue 61 adding: *494* *61* *Leu* *CA* *C* *58.1* *.* *1* old residue 61 adding: *495* *61* *Leu* *CB* *C* *41.4* *.* *1* old residue 61 adding: *496* *61* *Leu* *CG* *C* *26.6* *.* *1* old residue 61 adding: *497* *61* *Leu* *CD1* *C* *26.1* *.* *1* old residue 61 adding: *498* *61* *Leu* *CD2* *C* *23.8* *.* *1* old residue 61 adding: *499* *61* *Leu* *N* *N* *120.8* *.* *1* new residue 62 adding: *500* *62* *Ile* *H* *H* *7.51* *.* *1* old residue 62 adding: *501* *62* *Ile* *HA* *H* *4.04* *.* *1* old residue 62 adding: *502* *62* *Ile* *HB* *H* *1.99* *.* *1* old residue 62 adding: *503* *62* *Ile* *HG12* *H* *1.33* *.* *1* old residue 62 adding: *504* *62* *Ile* *HG13* *H* *1.33* *.* *1* old residue 62 adding: *505* *62* *Ile* *HG2* *H* *0.84* *.* *1* old residue 62 adding: *506* *62* *Ile* *HD1* *H* *0.70* *.* *1* old residue 62 adding: *507* *62* *Ile* *CA* *C* *63.2* *.* *1* old residue 62 adding: *508* *62* *Ile* *CB* *C* *37.2* *.* *1* old residue 62 adding: *509* *62* *Ile* *CG1* *C* *27.4* *.* *1* old residue 62 adding: *510* *62* *Ile* *CG2* *C* *17.6* *.* *1* old residue 62 adding: *511* *62* *Ile* *CD1* *C* *14.0* *.* *1* old residue 62 adding: *512* *62* *Ile* *N* *N* *110.7* *.* *1* new residue 63 adding: *513* *63* *Lys* *H* *H* *7.52* *.* *1* old residue 63 adding: *514* *63* *Lys* *HA* *H* *4.07* *.* *1* old residue 63 adding: *515* *63* *Lys* *HB2* *H* *1.95* *.* *1* old residue 63 adding: *516* *63* *Lys* *HB3* *H* *1.95* *.* *1* old residue 63 adding: *517* *63* *Lys* *HG2* *H* *1.34* *.* *2* old residue 63 adding: *518* *63* *Lys* *HG3* *H* *1.59* *.* *2* old residue 63 adding: *519* *63* *Lys* *HD2* *H* *1.64* *.* *2* old residue 63 adding: *520* *63* *Lys* *HD3* *H* *1.66* *.* *2* old residue 63 adding: *521* *63* *Lys* *HE2* *H* *2.90* *.* *1* old residue 63 adding: *522* *63* *Lys* *HE3* *H* *2.90* *.* *1* old residue 63 adding: *523* *63* *Lys* *CA* *C* *58.6* *.* *1* old residue 63 adding: *524* *63* *Lys* *CB* *C* *32.8* *.* *1* old residue 63 adding: *525* *63* *Lys* *CG* *C* *24.7* *.* *1* old residue 63 adding: *526* *63* *Lys* *CD* *C* *29.6* *.* *1* old residue 63 adding: *527* *63* *Lys* *N* *N* *121.1* *.* *1* new residue 64 adding: *528* *64* *Val* *H* *H* *7.63* *.* *1* old residue 64 adding: *529* *64* *Val* *HA* *H* *3.95* *.* *1* old residue 64 adding: *530* *64* *Val* *HB* *H* *2.15* *.* *1* old residue 64 adding: *531* *64* *Val* *HG1* *H* *0.94* *.* *2* old residue 64 adding: *532* *64* *Val* *HG2* *H* *1.02* *.* *2* old residue 64 adding: *533* *64* *Val* *CA* *C* *63.9* *.* *1* old residue 64 adding: *534* *64* *Val* *CB* *C* *32.4* *.* *1* old residue 64 adding: *535* *64* *Val* *CG1* *C* *21.0* *.* *1* old residue 64 adding: *536* *64* *Val* *CG2* *C* *21.1* *.* *1* old residue 64 adding: *537* *64* *Val* *N* *N* *115.2* *.* *1* new residue 65 adding: *538* *65* *Arg* *H* *H* *7.98* *.* *1* old residue 65 adding: *539* *65* *Arg* *HA* *H* *4.39* *.* *1* old residue 65 adding: *540* *65* *Arg* *HB2* *H* *1.85* *.* *1* old residue 65 adding: *541* *65* *Arg* *HB3* *H* *1.85* *.* *1* old residue 65 adding: *542* *65* *Arg* *HG2* *H* *1.57* *.* *1* old residue 65 adding: *543* *65* *Arg* *HG3* *H* *1.57* *.* *1* old residue 65 adding: *544* *65* *Arg* *HD2* *H* *3.12* *.* *1* old residue 65 adding: *545* *65* *Arg* *HD3* *H* *3.12* *.* *1* old residue 65 adding: *546* *65* *Arg* *CA* *C* *55.2* *.* *1* old residue 65 adding: *547* *65* *Arg* *CB* *C* *31.5* *.* *1* old residue 65 adding: *548* *65* *Arg* *CG* *C* *27.1* *.* *1* old residue 65 adding: *549* *65* *Arg* *CD* *C* *43.1* *.* *1* old residue 65 adding: *550* *65* *Arg* *N* *N* *118.3* *.* *1* new residue 66 adding: *551* *66* *Arg* *HA* *H* *4.34* *.* *1* old residue 66 adding: *552* *66* *Arg* *HB2* *H* *1.79* *.* *1* old residue 66 adding: *553* *66* *Arg* *HB3* *H* *1.79* *.* *1* old residue 66 adding: *554* *66* *Arg* *CA* *C* *54.9* *.* *1* old residue 66 adding: *555* *66* *Arg* *CB* *C* *29.2* *.* *1* new residue 67 adding: *556* *67* *Pro* *HG2* *H* *2.08* *.* *2* old residue 67 adding: *557* *67* *Pro* *HG3* *H* *1.76* *.* *2* old residue 67 adding: *558* *67* *Pro* *HD2* *H* *3.77* *.* *2* old residue 67 adding: *559* *67* *Pro* *HD3* *H* *3.90* *.* *2* old residue 67 adding: *560* *67* *Pro* *CG* *C* *27.4* *.* *1* old residue 67 adding: *561* *67* *Pro* *CD* *C* *50.8* *.* *1* new residue 68 adding: *562* *68* *Lys* *HA* *H* *4.10* *.* *1* old residue 68 adding: *563* *68* *Lys* *HB2* *H* *1.09* *.* *2* old residue 68 adding: *564* *68* *Lys* *HB3* *H* *1.23* *.* *2* old residue 68 adding: *565* *68* *Lys* *HG2* *H* *0.69* *.* *2* old residue 68 adding: *566* *68* *Lys* *HG3* *H* *1.03* *.* *2* old residue 68 adding: *567* *68* *Lys* *HD2* *H* *1.37* *.* *2* old residue 68 adding: *568* *68* *Lys* *HD3* *H* *1.42* *.* *2* old residue 68 adding: *569* *68* *Lys* *HE2* *H* *2.82* *.* *1* old residue 68 adding: *570* *68* *Lys* *HE3* *H* *2.82* *.* *1* old residue 68 adding: *571* *68* *Lys* *CA* *C* *57.9* *.* *1* old residue 68 adding: *572* *68* *Lys* *CB* *C* *34.1* *.* *1* old residue 68 adding: *573* *68* *Lys* *CG* *C* *24.8* *.* *1* old residue 68 adding: *574* *68* *Lys* *CD* *C* *29.2* *.* *1* old residue 68 adding: *575* *68* *Lys* *CE* *C* *41.7* *.* *1* new residue 69 adding: *576* *69* *Tyr* *HA* *H* *4.76* *.* *1* old residue 69 adding: *577* *69* *Tyr* *HB2* *H* *2.81* *.* *2* old residue 69 adding: *578* *69* *Tyr* *HB3* *H* *3.44* *.* *2* old residue 69 adding: *579* *69* *Tyr* *HD1* *H* *7.13* *.* *1* old residue 69 adding: *580* *69* *Tyr* *HD2* *H* *7.13* *.* *1* old residue 69 adding: *581* *69* *Tyr* *HE1* *H* *6.74* *.* *1* old residue 69 adding: *582* *69* *Tyr* *HE2* *H* *6.74* *.* *1* old residue 69 adding: *583* *69* *Tyr* *CA* *C* *57.8* *.* *1* old residue 69 adding: *584* *69* *Tyr* *CB* *C* *39.6* *.* *1* old residue 69 adding: *585* *69* *Tyr* *CD1* *C* *132.5* *.* *1* old residue 69 adding: *586* *69* *Tyr* *CE1* *C* *117.6* *.* *1* new residue 70 adding: *587* *70* *Val* *H* *H* *6.95* *.* *1* old residue 70 adding: *588* *70* *Val* *HA* *H* *4.72* *.* *1* old residue 70 adding: *589* *70* *Val* *HB* *H* *1.82* *.* *1* old residue 70 adding: *590* *70* *Val* *HG1* *H* *0.78* *.* *2* old residue 70 adding: *591* *70* *Val* *HG2* *H* *0.96* *.* *2* old residue 70 adding: *592* *70* *Val* *CA* *C* *60.0* *.* *1* old residue 70 adding: *593* *70* *Val* *CB* *C* *34.5* *.* *1* old residue 70 adding: *594* *70* *Val* *CG1* *C* *20.4* *.* *1* old residue 70 adding: *595* *70* *Val* *CG2* *C* *21.0* *.* *1* old residue 70 adding: *596* *70* *Val* *N* *N* *115.4* *.* *1* new residue 71 adding: *597* *71* *His* *H* *H* *7.87* *.* *1* old residue 71 adding: *598* *71* *His* *HA* *H* *4.91* *.* *1* old residue 71 adding: *599* *71* *His* *HB2* *H* *3.04* *.* *2* old residue 71 adding: *600* *71* *His* *HB3* *H* *3.28* *.* *2* old residue 71 adding: *601* *71* *His* *HD2* *H* *7.01* *.* *1* old residue 71 adding: *602* *71* *His* *CA* *C* *54.1* *.* *1* old residue 71 adding: *603* *71* *His* *CB* *C* *33.7* *.* *1* old residue 71 adding: *604* *71* *His* *CD2* *C* *119.9* *.* *1* old residue 71 adding: *605* *71* *His* *N* *N* *120.6* *.* *1* new residue 72 adding: *606* *72* *Lys* *H* *H* *8.40* *.* *1* old residue 72 adding: *607* *72* *Lys* *HA* *H* *3.68* *.* *1* old residue 72 adding: *608* *72* *Lys* *HB2* *H* *1.77* *.* *2* old residue 72 adding: *609* *72* *Lys* *HB3* *H* *1.85* *.* *2* old residue 72 adding: *610* *72* *Lys* *HG2* *H* *1.30* *.* *1* old residue 72 adding: *611* *72* *Lys* *HG3* *H* *1.30* *.* *1* old residue 72 adding: *612* *72* *Lys* *HD2* *H* *1.65* *.* *1* old residue 72 adding: *613* *72* *Lys* *HD3* *H* *1.65* *.* *1* old residue 72 adding: *614* *72* *Lys* *HE2* *H* *2.95* *.* *1* old residue 72 adding: *615* *72* *Lys* *HE3* *H* *2.95* *.* *1* old residue 72 adding: *616* *72* *Lys* *CA* *C* *60.6* *.* *1* old residue 72 adding: *617* *72* *Lys* *CB* *C* *32.8* *.* *1* old residue 72 adding: *618* *72* *Lys* *CG* *C* *24.0* *.* *1* old residue 72 adding: *619* *72* *Lys* *CD* *C* *29.7* *.* *1* old residue 72 adding: *620* *72* *Lys* *CE* *C* *41.8* *.* *1* new residue 73 adding: *621* *73* *Glu* *H* *H* *9.68* *.* *1* old residue 73 adding: *622* *73* *Glu* *HA* *H* *4.17* *.* *1* old residue 73 adding: *623* *73* *Glu* *HB2* *H* *2.07* *.* *2* old residue 73 adding: *624* *73* *Glu* *HB3* *H* *2.12* *.* *2* old residue 73 adding: *625* *73* *Glu* *HG2* *H* *2.37* *.* *2* old residue 73 adding: *626* *73* *Glu* *HG3* *H* *2.48* *.* *2* old residue 73 adding: *627* *73* *Glu* *CA* *C* *60.0* *.* *1* old residue 73 adding: *628* *73* *Glu* *CB* *C* *28.3* *.* *1* old residue 73 adding: *629* *73* *Glu* *CG* *C* *36.9* *.* *1* old residue 73 adding: *630* *73* *Glu* *N* *N* *117.3* *.* *1* new residue 74 adding: *631* *74* *Gln* *H* *H* *7.36* *.* *1* old residue 74 adding: *632* *74* *Gln* *HA* *H* *4.18* *.* *1* old residue 74 adding: *633* *74* *Gln* *HB2* *H* *2.31* *.* *2* old residue 74 adding: *634* *74* *Gln* *HB3* *H* *2.20* *.* *2* old residue 74 adding: *635* *74* *Gln* *HG2* *H* *2.45* *.* *2* old residue 74 adding: *636* *74* *Gln* *HG3* *H* *2.31* *.* *2* old residue 74 adding: *637* *74* *Gln* *HE21* *H* *7.57* *.* *2* old residue 74 adding: *638* *74* *Gln* *HE22* *H* *6.94* *.* *2* old residue 74 adding: *639* *74* *Gln* *CA* *C* *58.3* *.* *1* old residue 74 adding: *640* *74* *Gln* *CB* *C* *28.3* *.* *1* old residue 74 adding: *641* *74* *Gln* *CG* *C* *34.5* *.* *1* old residue 74 adding: *642* *74* *Gln* *N* *N* *117.7* *.* *1* old residue 74 adding: *643* *74* *Gln* *NE2* *N* *110.0* *.* *1* new residue 75 adding: *644* *75* *Ile* *H* *H* *7.53* *.* *1* old residue 75 adding: *645* *75* *Ile* *HA* *H* *3.78* *.* *1* old residue 75 adding: *646* *75* *Ile* *HB* *H* *2.11* *.* *1* old residue 75 adding: *647* *75* *Ile* *HG12* *H* *1.33* *.* *2* old residue 75 adding: *648* *75* *Ile* *HG13* *H* *1.10* *.* *2* old residue 75 adding: *649* *75* *Ile* *HG2* *H* *0.76* *.* *1* old residue 75 adding: *650* *75* *Ile* *HD1* *H* *0.56* *.* *1* old residue 75 adding: *651* *75* *Ile* *CA* *C* *64.1* *.* *1* old residue 75 adding: *652* *75* *Ile* *CB* *C* *36.8* *.* *1* old residue 75 adding: *653* *75* *Ile* *CG1* *C* *28.4* *.* *1* old residue 75 adding: *654* *75* *Ile* *CG2* *C* *18.1* *.* *1* old residue 75 adding: *655* *75* *Ile* *CD1* *C* *12.8* *.* *1* old residue 75 adding: *656* *75* *Ile* *N* *N* *120.6* *.* *1* new residue 76 adding: *657* *76* *Glu* *H* *H* *8.34* *.* *1* old residue 76 adding: *658* *76* *Glu* *HA* *H* *3.97* *.* *1* old residue 76 adding: *659* *76* *Glu* *HB2* *H* *2.08* *.* *1* old residue 76 adding: *660* *76* *Glu* *HB3* *H* *2.08* *.* *1* old residue 76 adding: *661* *76* *Glu* *HG2* *H* *2.18* *.* *2* old residue 76 adding: *662* *76* *Glu* *HG3* *H* *2.51* *.* *2* old residue 76 adding: *663* *76* *Glu* *CA* *C* *59.2* *.* *1* old residue 76 adding: *664* *76* *Glu* *CB* *C* *29.7* *.* *1* old residue 76 adding: *665* *76* *Glu* *CG* *C* *37.3* *.* *1* old residue 76 adding: *666* *76* *Glu* *N* *N* *117.5* *.* *1* new residue 77 adding: *667* *77* *Ala* *H* *H* *7.39* *.* *1* old residue 77 adding: *668* *77* *Ala* *HA* *H* *4.37* *.* *1* old residue 77 adding: *669* *77* *Ala* *HB* *H* *1.52* *.* *1* old residue 77 adding: *670* *77* *Ala* *CA* *C* *53.4* *.* *1* old residue 77 adding: *671* *77* *Ala* *CB* *C* *18.8* *.* *1* old residue 77 adding: *672* *77* *Ala* *N* *N* *118.6* *.* *1* new residue 78 adding: *673* *78* *Val* *H* *H* *7.62* *.* *1* old residue 78 adding: *674* *78* *Val* *HA* *H* *3.72* *.* *1* old residue 78 adding: *675* *78* *Val* *HB* *H* *2.43* *.* *1* old residue 78 adding: *676* *78* *Val* *HG1* *H* *0.56* *.* *2* old residue 78 adding: *677* *78* *Val* *HG2* *H* *1.34* *.* *2* old residue 78 adding: *678* *78* *Val* *CA* *C* *66.7* *.* *1* old residue 78 adding: *679* *78* *Val* *CB* *C* *31.5* *.* *1* old residue 78 adding: *680* *78* *Val* *CG1* *C* *22.1* *.* *1* old residue 78 adding: *681* *78* *Val* *CG2* *C* *24.8* *.* *1* old residue 78 adding: *682* *78* *Val* *N* *N* *116.8* *.* *1* new residue 79 adding: *683* *79* *Lys* *H* *H* *8.57* *.* *1* old residue 79 adding: *684* *79* *Lys* *HA* *H* *3.78* *.* *1* old residue 79 adding: *685* *79* *Lys* *HB2* *H* *1.92* *.* *2* old residue 79 adding: *686* *79* *Lys* *HB3* *H* *2.06* *.* *2* old residue 79 adding: *687* *79* *Lys* *HG2* *H* *1.48* *.* *2* old residue 79 adding: *688* *79* *Lys* *HG3* *H* *1.52* *.* *2* old residue 79 adding: *689* *79* *Lys* *HD2* *H* *1.68* *.* *2* old residue 79 adding: *690* *79* *Lys* *HD3* *H* *1.72* *.* *2* old residue 79 adding: *691* *79* *Lys* *HE2* *H* *2.99* *.* *1* old residue 79 adding: *692* *79* *Lys* *HE3* *H* *2.99* *.* *1* old residue 79 adding: *693* *79* *Lys* *CA* *C* *61.8* *.* *1* old residue 79 adding: *694* *79* *Lys* *CB* *C* *31.5* *.* *1* old residue 79 adding: *695* *79* *Lys* *CG* *C* *24.9* *.* *1* old residue 79 adding: *696* *79* *Lys* *CD* *C* *29.3* *.* *1* old residue 79 adding: *697* *79* *Lys* *CE* *C* *41.9* *.* *1* old residue 79 adding: *698* *79* *Lys* *N* *N* *119.5* *.* *1* new residue 80 adding: *699* *80* *Asp* *H* *H* *8.35* *.* *1* old residue 80 adding: *700* *80* *Asp* *HA* *H* *4.49* *.* *1* old residue 80 adding: *701* *80* *Asp* *HB2* *H* *2.63* *.* *2* old residue 80 adding: *702* *80* *Asp* *HB3* *H* *2.66* *.* *2* old residue 80 adding: *703* *80* *Asp* *CA* *C* *57.3* *.* *1* old residue 80 adding: *704* *80* *Asp* *CB* *C* *40.0* *.* *1* old residue 80 adding: *705* *80* *Asp* *N* *N* *115.5* *.* *1* new residue 81 adding: *706* *81* *Asn* *H* *H* *7.69* *.* *1* old residue 81 adding: *707* *81* *Asn* *HA* *H* *4.54* *.* *1* old residue 81 adding: *708* *81* *Asn* *HB2* *H* *2.80* *.* *2* old residue 81 adding: *709* *81* *Asn* *HB3* *H* *2.46* *.* *2* old residue 81 adding: *710* *81* *Asn* *HD21* *H* *8.02* *.* *2* old residue 81 adding: *711* *81* *Asn* *HD22* *H* *6.98* *.* *2* old residue 81 adding: *712* *81* *Asn* *CA* *C* *55.5* *.* *1* old residue 81 adding: *713* *81* *Asn* *CB* *C* *38.6* *.* *1* old residue 81 adding: *714* *81* *Asn* *N* *N* *118.3* *.* *1* old residue 81 adding: *715* *81* *Asn* *ND2* *N* *111.9* *.* *1* new residue 82 adding: *716* *82* *Phe* *H* *H* *9.62* *.* *1* old residue 82 adding: *717* *82* *Phe* *HA* *H* *4.06* *.* *1* old residue 82 adding: *718* *82* *Phe* *HB2* *H* *2.97* *.* *2* old residue 82 adding: *719* *82* *Phe* *HB3* *H* *3.12* *.* *2* old residue 82 adding: *720* *82* *Phe* *HD1* *H* *6.92* *.* *1* old residue 82 adding: *721* *82* *Phe* *HD2* *H* *6.92* *.* *1* old residue 82 adding: *722* *82* *Phe* *HE1* *H* *7.45* *.* *1* old residue 82 adding: *723* *82* *Phe* *HE2* *H* *7.45* *.* *1* old residue 82 adding: *724* *82* *Phe* *HZ* *H* *7.17* *.* *1* old residue 82 adding: *725* *82* *Phe* *CA* *C* *60.9* *.* *1* old residue 82 adding: *726* *82* *Phe* *CB* *C* *39.5* *.* *1* old residue 82 adding: *727* *82* *Phe* *CD1* *C* *130.5* *.* *1* old residue 82 adding: *728* *82* *Phe* *CE1* *C* *130.5* *.* *1* old residue 82 adding: *729* *82* *Phe* *CZ* *C* *129.9* *.* *1* old residue 82 adding: *730* *82* *Phe* *N* *N* *121.4* *.* *1* new residue 83 adding: *731* *83* *Leu* *H* *H* *8.21* *.* *1* old residue 83 adding: *732* *83* *Leu* *HA* *H* *3.90* *.* *1* old residue 83 adding: *733* *83* *Leu* *HB2* *H* *1.95* *.* *2* old residue 83 adding: *734* *83* *Leu* *HB3* *H* *1.58* *.* *2* old residue 83 adding: *735* *83* *Leu* *HG* *H* *2.06* *.* *1* old residue 83 adding: *736* *83* *Leu* *HD1* *H* *1.03* *.* *2* old residue 83 adding: *737* *83* *Leu* *HD2* *H* *0.88* *.* *2* old residue 83 adding: *738* *83* *Leu* *CA* *C* *57.0* *.* *1* old residue 83 adding: *739* *83* *Leu* *CB* *C* *40.4* *.* *1* old residue 83 adding: *740* *83* *Leu* *CG* *C* *27.0* *.* *1* old residue 83 adding: *741* *83* *Leu* *CD1* *C* *22.1* *.* *1* old residue 83 adding: *742* *83* *Leu* *CD2* *C* *25.3* *.* *1* old residue 83 adding: *743* *83* *Leu* *N* *N* *117.4* *.* *1* new residue 84 adding: *744* *84* *Glu* *H* *H* *7.66* *.* *1* old residue 84 adding: *745* *84* *Glu* *HA* *H* *4.15* *.* *1* old residue 84 adding: *746* *84* *Glu* *HB2* *H* *2.09* *.* *1* old residue 84 adding: *747* *84* *Glu* *HB3* *H* *2.09* *.* *1* old residue 84 adding: *748* *84* *Glu* *HG2* *H* *2.30* *.* *1* old residue 84 adding: *749* *84* *Glu* *HG3* *H* *2.30* *.* *1* old residue 84 adding: *750* *84* *Glu* *CA* *C* *59.5* *.* *1* old residue 84 adding: *751* *84* *Glu* *CB* *C* *28.7* *.* *1* old residue 84 adding: *752* *84* *Glu* *CG* *C* *35.9* *.* *1* old residue 84 adding: *753* *84* *Glu* *N* *N* *121.5* *.* *1* new residue 85 adding: *754* *85* *Leu* *H* *H* *8.10* *.* *1* old residue 85 adding: *755* *85* *Leu* *HA* *H* *3.60* *.* *1* old residue 85 adding: *756* *85* *Leu* *HB2* *H* *1.56* *.* *2* old residue 85 adding: *757* *85* *Leu* *HB3* *H* *1.79* *.* *2* old residue 85 adding: *758* *85* *Leu* *HG* *H* *1.47* *.* *1* old residue 85 adding: *759* *85* *Leu* *HD1* *H* *0.70* *.* *2* old residue 85 adding: *760* *85* *Leu* *HD2* *H* *0.72* *.* *2* old residue 85 adding: *761* *85* *Leu* *CA* *C* *59.3* *.* *1* old residue 85 adding: *762* *85* *Leu* *CB* *C* *41.8* *.* *1* old residue 85 adding: *763* *85* *Leu* *CG* *C* *26.8* *.* *1* old residue 85 adding: *764* *85* *Leu* *CD1* *C* *28.3* *.* *1* old residue 85 adding: *765* *85* *Leu* *CD2* *C* *23.4* *.* *1* old residue 85 adding: *766* *85* *Leu* *N* *N* *121.7* *.* *1* new residue 86 adding: *767* *86* *Val* *H* *H* *8.22* *.* *1* old residue 86 adding: *768* *86* *Val* *HA* *H* *3.10* *.* *1* old residue 86 adding: *769* *86* *Val* *HB* *H* *1.87* *.* *1* old residue 86 adding: *770* *86* *Val* *HG1* *H* *0.81* *.* *2* old residue 86 adding: *771* *86* *Val* *HG2* *H* *0.29* *.* *2* old residue 86 adding: *772* *86* *Val* *CA* *C* *67.2* *.* *1* old residue 86 adding: *773* *86* *Val* *CB* *C* *31.5* *.* *1* old residue 86 adding: *774* *86* *Val* *CG1* *C* *22.0* *.* *1* old residue 86 adding: *775* *86* *Val* *CG2* *C* *21.2* *.* *1* old residue 86 adding: *776* *86* *Val* *N* *N* *118.4* *.* *1* new residue 87 adding: *777* *87* *Leu* *H* *H* *8.45* *.* *1* old residue 87 adding: *778* *87* *Leu* *HA* *H* *3.96* *.* *1* old residue 87 adding: *779* *87* *Leu* *HB2* *H* *1.62* *.* *2* old residue 87 adding: *780* *87* *Leu* *HB3* *H* *2.01* *.* *2* old residue 87 adding: *781* *87* *Leu* *HG* *H* *1.54* *.* *1* old residue 87 adding: *782* *87* *Leu* *HD1* *H* *0.93* *.* *2* old residue 87 adding: *783* *87* *Leu* *HD2* *H* *1.01* *.* *2* old residue 87 adding: *784* *87* *Leu* *CA* *C* *59.1* *.* *1* old residue 87 adding: *785* *87* *Leu* *CB* *C* *42.3* *.* *1* old residue 87 adding: *786* *87* *Leu* *CG* *C* *26.8* *.* *1* old residue 87 adding: *787* *87* *Leu* *CD1* *C* *23.1* *.* *1* old residue 87 adding: *788* *87* *Leu* *CD2* *C* *25.7* *.* *1* old residue 87 adding: *789* *87* *Leu* *N* *N* *120.2* *.* *1* new residue 88 adding: *790* *88* *Gln* *H* *H* *9.35* *.* *1* old residue 88 adding: *791* *88* *Gln* *HA* *H* *4.18* *.* *1* old residue 88 adding: *792* *88* *Gln* *HB2* *H* *2.41* *.* *2* old residue 88 adding: *793* *88* *Gln* *HB3* *H* *2.23* *.* *2* old residue 88 adding: *794* *88* *Gln* *HG2* *H* *2.37* *.* *1* old residue 88 adding: *795* *88* *Gln* *HG3* *H* *2.37* *.* *1* old residue 88 adding: *796* *88* *Gln* *HE21* *H* *7.55* *.* *2* old residue 88 adding: *797* *88* *Gln* *HE22* *H* *6.83* *.* *2* old residue 88 adding: *798* *88* *Gln* *CA* *C* *57.3* *.* *1* old residue 88 adding: *799* *88* *Gln* *CB* *C* *25.4* *.* *1* old residue 88 adding: *800* *88* *Gln* *CG* *C* *34.1* *.* *1* old residue 88 adding: *801* *88* *Gln* *N* *N* *114.9* *.* *1* old residue 88 adding: *802* *88* *Gln* *NE2* *N* *111.3* *.* *1* new residue 89 adding: *803* *89* *Ser* *H* *H* *8.68* *.* *1* old residue 89 adding: *804* *89* *Ser* *HA* *H* *4.08* *.* *1* old residue 89 adding: *805* *89* *Ser* *HB2* *H* *4.00* *.* *1* old residue 89 adding: *806* *89* *Ser* *HB3* *H* *4.00* *.* *1* old residue 89 adding: *807* *89* *Ser* *CA* *C* *61.9* *.* *1* old residue 89 adding: *808* *89* *Ser* *CB* *C* *62.2* *.* *1* old residue 89 adding: *809* *89* *Ser* *N* *N* *117.5* *.* *1* new residue 90 adding: *810* *90* *Tyr* *H* *H* *7.33* *.* *1* old residue 90 adding: *811* *90* *Tyr* *HA* *H* *4.32* *.* *1* old residue 90 adding: *812* *90* *Tyr* *HB2* *H* *2.76* *.* *2* old residue 90 adding: *813* *90* *Tyr* *HB3* *H* *2.59* *.* *2* old residue 90 adding: *814* *90* *Tyr* *HD1* *H* *6.39* *.* *1* old residue 90 adding: *815* *90* *Tyr* *HD2* *H* *6.39* *.* *1* old residue 90 adding: *816* *90* *Tyr* *HE1* *H* *6.13* *.* *1* old residue 90 adding: *817* *90* *Tyr* *HE2* *H* *6.13* *.* *1* old residue 90 adding: *818* *90* *Tyr* *CA* *C* *59.7* *.* *1* old residue 90 adding: *819* *90* *Tyr* *CB* *C* *41.4* *.* *1* old residue 90 adding: *820* *90* *Tyr* *CD1* *C* *132.4* *.* *1* old residue 90 adding: *821* *90* *Tyr* *CE1* *C* *116.4* *.* *1* old residue 90 adding: *822* *90* *Tyr* *N* *N* *116.0* *.* *1* new residue 91 adding: *823* *91* *Val* *H* *H* *7.73* *.* *1* old residue 91 adding: *824* *91* *Val* *HA* *H* *4.01* *.* *1* old residue 91 adding: *825* *91* *Val* *HB* *H* *1.93* *.* *1* old residue 91 adding: *826* *91* *Val* *HG1* *H* *0.91* *.* *2* old residue 91 adding: *827* *91* *Val* *HG2* *H* *0.85* *.* *2* old residue 91 adding: *828* *91* *Val* *CA* *C* *62.6* *.* *1* old residue 91 adding: *829* *91* *Val* *CB* *C* *32.7* *.* *1* old residue 91 adding: *830* *91* *Val* *CG1* *C* *21.7* *.* *1* old residue 91 adding: *831* *91* *Val* *CG2* *C* *20.2* *.* *1* old residue 91 adding: *832* *91* *Val* *N* *N* *110.5* *.* *1* new residue 92 adding: *833* *92* *His* *H* *H* *8.60* *.* *1* old residue 92 adding: *834* *92* *His* *HA* *H* *4.28* *.* *1* old residue 92 adding: *835* *92* *His* *HB2* *H* *2.91* *.* *2* old residue 92 adding: *836* *92* *His* *HB3* *H* *3.26* *.* *2* old residue 92 adding: *837* *92* *His* *HD2* *H* *6.96* *.* *1* old residue 92 adding: *838* *92* *His* *CA* *C* *56.0* *.* *1* old residue 92 adding: *839* *92* *His* *CB* *C* *29.2* *.* *1* old residue 92 adding: *840* *92* *His* *CD2* *C* *117.7* *.* *1* old residue 92 adding: *841* *92* *His* *N* *N* *114.5* *.* *1* new residue 93 adding: *842* *93* *His* *H* *H* *8.35* *.* *1* old residue 93 adding: *843* *93* *His* *HA* *H* *4.78* *.* *1* old residue 93 adding: *844* *93* *His* *HB2* *H* *3.28* *.* *1* old residue 93 adding: *845* *93* *His* *HB3* *H* *3.28* *.* *1* old residue 93 adding: *846* *93* *His* *HD2* *H* *6.89* *.* *1* old residue 93 adding: *847* *93* *His* *CA* *C* *57.6* *.* *1* old residue 93 adding: *848* *93* *His* *CB* *C* *31.9* *.* *1* old residue 93 adding: *849* *93* *His* *CD2* *C* *118.6* *.* *1* old residue 93 adding: *850* *93* *His* *N* *N* *118.2* *.* *1* new residue 94 adding: *851* *94* *Ile* *H* *H* *7.47* *.* *1* old residue 94 adding: *852* *94* *Ile* *HA* *H* *4.37* *.* *1* old residue 94 adding: *853* *94* *Ile* *HB* *H* *1.96* *.* *1* old residue 94 adding: *854* *94* *Ile* *HG12* *H* *1.53* *.* *2* old residue 94 adding: *855* *94* *Ile* *HG13* *H* *1.28* *.* *2* old residue 94 adding: *856* *94* *Ile* *HG2* *H* *1.04* *.* *1* old residue 94 adding: *857* *94* *Ile* *HD1* *H* *0.88* *.* *1* old residue 94 adding: *858* *94* *Ile* *CA* *C* *60.9* *.* *1* old residue 94 adding: *859* *94* *Ile* *CB* *C* *39.6* *.* *1* old residue 94 adding: *860* *94* *Ile* *CG1* *C* *27.2* *.* *1* old residue 94 adding: *861* *94* *Ile* *CG2* *C* *17.7* *.* *1* old residue 94 adding: *862* *94* *Ile* *CD1* *C* *14.1* *.* *1* old residue 94 adding: *863* *94* *Ile* *N* *N* *111.4* *.* *1* new residue 95 adding: *864* *95* *His* *H* *H* *6.99* *.* *1* new residue 96 adding: *865* *96* *Lys* *HA* *H* *4.04* *.* *1* old residue 96 adding: *866* *96* *Lys* *HG2* *H* *1.49* *.* *1* old residue 96 adding: *867* *96* *Lys* *HG3* *H* *1.49* *.* *1* old residue 96 adding: *868* *96* *Lys* *HD2* *H* *1.96* *.* *1* old residue 96 adding: *869* *96* *Lys* *HD3* *H* *1.96* *.* *1* old residue 96 adding: *870* *96* *Lys* *HE2* *H* *2.93* *.* *1* old residue 96 adding: *871* *96* *Lys* *HE3* *H* *2.93* *.* *1* new residue 97 adding: *872* *97* *Lys* *HA* *H* *4.13* *.* *1* old residue 97 adding: *873* *97* *Lys* *HB2* *H* *1.96* *.* *1* old residue 97 adding: *874* *97* *Lys* *HB3* *H* *1.96* *.* *1* old residue 97 adding: *875* *97* *Lys* *HG2* *H* *1.49* *.* *1* old residue 97 adding: *876* *97* *Lys* *HG3* *H* *1.49* *.* *1* old residue 97 adding: *877* *97* *Lys* *HD2* *H* *1.63* *.* *1* old residue 97 adding: *878* *97* *Lys* *HD3* *H* *1.63* *.* *1* old residue 97 adding: *879* *97* *Lys* *HE2* *H* *2.98* *.* *1* old residue 97 adding: *880* *97* *Lys* *HE3* *H* *2.98* *.* *1* old residue 97 adding: *881* *97* *Lys* *CA* *C* *59.4* *.* *1* old residue 97 adding: *882* *97* *Lys* *CB* *C* *32.0* *.* *1* old residue 97 adding: *883* *97* *Lys* *CG* *C* *25.2* *.* *1* old residue 97 adding: *884* *97* *Lys* *CD* *C* *28.8* *.* *1* old residue 97 adding: *885* *97* *Lys* *CE* *C* *42.1* *.* *1* new residue 98 adding: *886* *98* *Arg* *H* *H* *7.15* *.* *1* old residue 98 adding: *887* *98* *Arg* *HA* *H* *4.15* *.* *1* old residue 98 adding: *888* *98* *Arg* *HB2* *H* *1.74* *.* *1* old residue 98 adding: *889* *98* *Arg* *HB3* *H* *1.74* *.* *1* old residue 98 adding: *890* *98* *Arg* *HG2* *H* *1.61* *.* *1* old residue 98 adding: *891* *98* *Arg* *HG3* *H* *1.61* *.* *1* old residue 98 adding: *892* *98* *Arg* *HD2* *H* *3.17* *.* *1* old residue 98 adding: *893* *98* *Arg* *HD3* *H* *3.17* *.* *1* old residue 98 adding: *894* *98* *Arg* *CA* *C* *57.9* *.* *1* old residue 98 adding: *895* *98* *Arg* *CB* *C* *28.6* *.* *1* old residue 98 adding: *896* *98* *Arg* *CG* *C* *27.0* *.* *1* old residue 98 adding: *897* *98* *Arg* *CD* *C* *43.1* *.* *1* old residue 98 adding: *898* *98* *Arg* *N* *N* *118.5* *.* *1* new residue 99 adding: *899* *99* *Phe* *H* *H* *8.26* *.* *1* old residue 99 adding: *900* *99* *Phe* *HA* *H* *3.45* *.* *1* old residue 99 adding: *901* *99* *Phe* *HB2* *H* *2.20* *.* *2* old residue 99 adding: *902* *99* *Phe* *HB3* *H* *2.53* *.* *2* old residue 99 adding: *903* *99* *Phe* *HD1* *H* *6.45* *.* *1* old residue 99 adding: *904* *99* *Phe* *HD2* *H* *6.45* *.* *1* old residue 99 adding: *905* *99* *Phe* *HE1* *H* *7.08* *.* *1* old residue 99 adding: *906* *99* *Phe* *HE2* *H* *7.08* *.* *1* old residue 99 adding: *907* *99* *Phe* *HZ* *H* *6.67* *.* *1* old residue 99 adding: *908* *99* *Phe* *CA* *C* *62.7* *.* *1* old residue 99 adding: *909* *99* *Phe* *CB* *C* *39.2* *.* *1* old residue 99 adding: *910* *99* *Phe* *CD1* *C* *130.2* *.* *1* old residue 99 adding: *911* *99* *Phe* *CE1* *C* *130.0* *.* *1* old residue 99 adding: *912* *99* *Phe* *CZ* *C* *128.2* *.* *1* old residue 99 adding: *913* *99* *Phe* *N* *N* *119.1* *.* *1* new residue 100 adding: *914* *100* *Lys* *H* *H* *8.50* *.* *1* old residue 100 adding: *915* *100* *Lys* *HA* *H* *3.98* *.* *1* old residue 100 adding: *916* *100* *Lys* *HB2* *H* *1.97* *.* *2* old residue 100 adding: *917* *100* *Lys* *HB3* *H* *2.02* *.* *2* old residue 100 adding: *918* *100* *Lys* *HG2* *H* *1.46* *.* *2* old residue 100 adding: *919* *100* *Lys* *HG3* *H* *1.52* *.* *2* old residue 100 adding: *920* *100* *Lys* *HD2* *H* *1.71* *.* *2* old residue 100 adding: *921* *100* *Lys* *HD3* *H* *1.74* *.* *2* old residue 100 adding: *922* *100* *Lys* *HE2* *H* *3.00* *.* *1* old residue 100 adding: *923* *100* *Lys* *HE3* *H* *3.00* *.* *1* old residue 100 adding: *924* *100* *Lys* *CA* *C* *59.3* *.* *1* old residue 100 adding: *925* *100* *Lys* *CB* *C* *31.9* *.* *1* old residue 100 adding: *926* *100* *Lys* *CG* *C* *24.8* *.* *1* old residue 100 adding: *927* *100* *Lys* *CD* *C* *29.0* *.* *1* old residue 100 adding: *928* *100* *Lys* *CE* *C* *42.0* *.* *1* old residue 100 adding: *929* *100* *Lys* *N* *N* *121.7* *.* *1* new residue 101 adding: *930* *101* *Asp* *H* *H* *8.15* *.* *1* old residue 101 adding: *931* *101* *Asp* *HA* *H* *4.29* *.* *1* old residue 101 adding: *932* *101* *Asp* *HB2* *H* *2.61* *.* *2* old residue 101 adding: *933* *101* *Asp* *HB3* *H* *2.87* *.* *2* old residue 101 adding: *934* *101* *Asp* *CA* *C* *57.3* *.* *1* old residue 101 adding: *935* *101* *Asp* *CB* *C* *39.9* *.* *1* old residue 101 adding: *936* *101* *Asp* *N* *N* *119.8* *.* *1* new residue 102 adding: *937* *102* *Ile* *H* *H* *8.22* *.* *1* old residue 102 adding: *938* *102* *Ile* *HA* *H* *3.69* *.* *1* old residue 102 adding: *939* *102* *Ile* *HB* *H* *1.55* *.* *1* old residue 102 adding: *940* *102* *Ile* *HG12* *H* *1.06* *.* *2* old residue 102 adding: *941* *102* *Ile* *HG13* *H* *1.37* *.* *2* old residue 102 adding: *942* *102* *Ile* *HG2* *H* *0.66* *.* *1* old residue 102 adding: *943* *102* *Ile* *HD1* *H* *0.57* *.* *1* old residue 102 adding: *944* *102* *Ile* *CA* *C* *65.0* *.* *1* old residue 102 adding: *945* *102* *Ile* *CB* *C* *37.7* *.* *1* old residue 102 adding: *946* *102* *Ile* *CG1* *C* *27.4* *.* *1* old residue 102 adding: *947* *102* *Ile* *CG2* *C* *17.6* *.* *1* old residue 102 adding: *948* *102* *Ile* *CD1* *C* *13.3* *.* *1* old residue 102 adding: *949* *102* *Ile* *N* *N* *118.8* *.* *1* new residue 103 adding: *950* *103* *Thr* *H* *H* *7.93* *.* *1* old residue 103 adding: *951* *103* *Thr* *HA* *H* *3.48* *.* *1* old residue 103 adding: *952* *103* *Thr* *HB* *H* *4.09* *.* *1* old residue 103 adding: *953* *103* *Thr* *HG1* *H* *3.26* *.* *1* old residue 103 adding: *954* *103* *Thr* *HG2* *H* *1.00* *.* *1* old residue 103 adding: *955* *103* *Thr* *CA* *C* *67.3* *.* *1* old residue 103 adding: *956* *103* *Thr* *CB* *C* *67.7* *.* *1* old residue 103 adding: *957* *103* *Thr* *CG2* *C* *21.1* *.* *1* old residue 103 adding: *958* *103* *Thr* *N* *N* *117.9* *.* *1* new residue 104 adding: *959* *104* *Glu* *H* *H* *8.47* *.* *1* old residue 104 adding: *960* *104* *Glu* *HA* *H* *3.92* *.* *1* old residue 104 adding: *961* *104* *Glu* *HB2* *H* *1.98* *.* *2* old residue 104 adding: *962* *104* *Glu* *HB3* *H* *2.08* *.* *2* old residue 104 adding: *963* *104* *Glu* *HG2* *H* *2.20* *.* *2* old residue 104 adding: *964* *104* *Glu* *HG3* *H* *2.46* *.* *2* old residue 104 adding: *965* *104* *Glu* *CA* *C* *59.5* *.* *1* old residue 104 adding: *966* *104* *Glu* *CB* *C* *29.2* *.* *1* old residue 104 adding: *967* *104* *Glu* *CG* *C* *36.7* *.* *1* old residue 104 adding: *968* *104* *Glu* *N* *N* *118.9* *.* *1* new residue 105 adding: *969* *105* *Ser* *H* *H* *7.84* *.* *1* old residue 105 adding: *970* *105* *Ser* *HA* *H* *4.29* *.* *1* old residue 105 adding: *971* *105* *Ser* *HB2* *H* *3.96* *.* *1* old residue 105 adding: *972* *105* *Ser* *HB3* *H* *3.96* *.* *1* old residue 105 adding: *973* *105* *Ser* *CA* *C* *60.9* *.* *1* old residue 105 adding: *974* *105* *Ser* *CB* *C* *62.7* *.* *1* old residue 105 adding: *975* *105* *Ser* *N* *N* *114.2* *.* *1* new residue 106 adding: *976* *106* *Val* *H* *H* *8.29* *.* *1* old residue 106 adding: *977* *106* *Val* *HA* *H* *3.69* *.* *1* old residue 106 adding: *978* *106* *Val* *HB* *H* *2.15* *.* *1* old residue 106 adding: *979* *106* *Val* *HG1* *H* *0.85* *.* *2* old residue 106 adding: *980* *106* *Val* *HG2* *H* *1.06* *.* *2* old residue 106 adding: *981* *106* *Val* *CA* *C* *66.3* *.* *1* old residue 106 adding: *982* *106* *Val* *CB* *C* *31.9* *.* *1* old residue 106 adding: *983* *106* *Val* *CG1* *C* *22.0* *.* *1* old residue 106 adding: *984* *106* *Val* *CG2* *C* *24.5* *.* *1* old residue 106 adding: *985* *106* *Val* *N* *N* *122.1* *.* *1* new residue 107 adding: *986* *107* *Leu* *H* *H* *8.56* *.* *1* old residue 107 adding: *987* *107* *Leu* *HA* *H* *3.90* *.* *1* old residue 107 adding: *988* *107* *Leu* *HB2* *H* *1.98* *.* *2* old residue 107 adding: *989* *107* *Leu* *HB3* *H* *1.44* *.* *2* old residue 107 adding: *990* *107* *Leu* *HG* *H* *1.72* *.* *1* old residue 107 adding: *991* *107* *Leu* *HD1* *H* *0.87* *.* *2* old residue 107 adding: *992* *107* *Leu* *HD2* *H* *0.98* *.* *2* old residue 107 adding: *993* *107* *Leu* *CA* *C* *58.3* *.* *1* old residue 107 adding: *994* *107* *Leu* *CB* *C* *41.2* *.* *1* old residue 107 adding: *995* *107* *Leu* *CG* *C* *27.4* *.* *1* old residue 107 adding: *996* *107* *Leu* *CD1* *C* *24.3* *.* *1* old residue 107 adding: *997* *107* *Leu* *CD2* *C* *25.7* *.* *1* old residue 107 adding: *998* *107* *Leu* *N* *N* *117.5* *.* *1* new residue 108 adding: *999* *108* *Tyr* *H* *H* *8.45* *.* *1* old residue 108 adding: *1000* *108* *Tyr* *HA* *H* *4.17* *.* *1* old residue 108 adding: *1001* *108* *Tyr* *HB2* *H* *3.28* *.* *2* old residue 108 adding: *1002* *108* *Tyr* *HB3* *H* *3.17* *.* *2* old residue 108 adding: *1003* *108* *Tyr* *HD1* *H* *7.13* *.* *1* old residue 108 adding: *1004* *108* *Tyr* *HD2* *H* *7.13* *.* *1* old residue 108 adding: *1005* *108* *Tyr* *HE1* *H* *6.81* *.* *1* old residue 108 adding: *1006* *108* *Tyr* *HE2* *H* *6.81* *.* *1* old residue 108 adding: *1007* *108* *Tyr* *CA* *C* *61.8* *.* *1* old residue 108 adding: *1008* *108* *Tyr* *CB* *C* *37.9* *.* *1* old residue 108 adding: *1009* *108* *Tyr* *CD1* *C* *132.7* *.* *1* old residue 108 adding: *1010* *108* *Tyr* *CE1* *C* *117.4* *.* *1* old residue 108 adding: *1011* *108* *Tyr* *N* *N* *119.0* *.* *1* new residue 109 adding: *1012* *109* *Thr* *H* *H* *7.80* *.* *1* old residue 109 adding: *1013* *109* *Thr* *HA* *H* *3.86* *.* *1* old residue 109 adding: *1014* *109* *Thr* *HB* *H* *4.18* *.* *1* old residue 109 adding: *1015* *109* *Thr* *HG2* *H* *1.23* *.* *1* old residue 109 adding: *1016* *109* *Thr* *CA* *C* *66.8* *.* *1* old residue 109 adding: *1017* *109* *Thr* *CB* *C* *67.8* *.* *1* old residue 109 adding: *1018* *109* *Thr* *CG2* *C* *23.0* *.* *1* old residue 109 adding: *1019* *109* *Thr* *N* *N* *116.5* *.* *1* new residue 110 adding: *1020* *110* *Leu* *H* *H* *8.51* *.* *1* old residue 110 adding: *1021* *110* *Leu* *HA* *H* *3.90* *.* *1* old residue 110 adding: *1022* *110* *Leu* *HB2* *H* *0.98* *.* *2* old residue 110 adding: *1023* *110* *Leu* *HB3* *H* *1.61* *.* *2* old residue 110 adding: *1024* *110* *Leu* *HG* *H* *1.63* *.* *1* old residue 110 adding: *1025* *110* *Leu* *HD1* *H* *0.37* *.* *2* old residue 110 adding: *1026* *110* *Leu* *HD2* *H* *0.02* *.* *2* old residue 110 adding: *1027* *110* *Leu* *CA* *C* *58.5* *.* *1* old residue 110 adding: *1028* *110* *Leu* *CB* *C* *41.3* *.* *1* old residue 110 adding: *1029* *110* *Leu* *CG* *C* *26.5* *.* *1* old residue 110 adding: *1030* *110* *Leu* *CD1* *C* *22.4* *.* *1* old residue 110 adding: *1031* *110* *Leu* *CD2* *C* *26.6* *.* *1* old residue 110 adding: *1032* *110* *Leu* *N* *N* *121.0* *.* *1* new residue 111 adding: *1033* *111* *His* *H* *H* *8.44* *.* *1* old residue 111 adding: *1034* *111* *His* *HA* *H* *4.00* *.* *1* old residue 111 adding: *1035* *111* *His* *HB2* *H* *2.98* *.* *2* old residue 111 adding: *1036* *111* *His* *HB3* *H* *3.00* *.* *2* old residue 111 adding: *1037* *111* *His* *HD2* *H* *6.95* *.* *1* old residue 111 adding: *1038* *111* *His* *CA* *C* *60.9* *.* *1* old residue 111 adding: *1039* *111* *His* *CB* *C* *29.7* *.* *1* old residue 111 adding: *1040* *111* *His* *CD2* *C* *119.7* *.* *1* old residue 111 adding: *1041* *111* *His* *N* *N* *116.3* *.* *1* new residue 112 adding: *1042* *112* *Ala* *H* *H* *7.92* *.* *1* old residue 112 adding: *1043* *112* *Ala* *HA* *H* *4.13* *.* *1* old residue 112 adding: *1044* *112* *Ala* *HB* *H* *1.40* *.* *1* old residue 112 adding: *1045* *112* *Ala* *CA* *C* *55.0* *.* *1* old residue 112 adding: *1046* *112* *Ala* *CB* *C* *17.6* *.* *1* old residue 112 adding: *1047* *112* *Ala* *N* *N* *122.9* *.* *1* new residue 113 adding: *1048* *113* *Val* *H* *H* *8.30* *.* *1* old residue 113 adding: *1049* *113* *Val* *HA* *H* *3.54* *.* *1* old residue 113 adding: *1050* *113* *Val* *HB* *H* *2.52* *.* *1* old residue 113 adding: *1051* *113* *Val* *HG1* *H* *0.98* *.* *2* old residue 113 adding: *1052* *113* *Val* *HG2* *H* *1.20* *.* *2* old residue 113 adding: *1053* *113* *Val* *CA* *C* *67.2* *.* *1* old residue 113 adding: *1054* *113* *Val* *CB* *C* *31.0* *.* *1* old residue 113 adding: *1055* *113* *Val* *CG1* *C* *20.7* *.* *1* old residue 113 adding: *1056* *113* *Val* *CG2* *C* *24.7* *.* *1* old residue 113 adding: *1057* *113* *Val* *N* *N* *119.0* *.* *1* new residue 114 adding: *1058* *114* *Lys* *H* *H* *8.22* *.* *1* old residue 114 adding: *1059* *114* *Lys* *HA* *H* *3.81* *.* *1* old residue 114 adding: *1060* *114* *Lys* *HB2* *H* *1.80* *.* *2* old residue 114 adding: *1061* *114* *Lys* *HB3* *H* *2.05* *.* *2* old residue 114 adding: *1062* *114* *Lys* *HG2* *H* *1.33* *.* *2* old residue 114 adding: *1063* *114* *Lys* *HG3* *H* *1.50* *.* *2* old residue 114 adding: *1064* *114* *Lys* *HD2* *H* *1.49* *.* *1* old residue 114 adding: *1065* *114* *Lys* *HD3* *H* *1.49* *.* *1* old residue 114 adding: *1066* *114* *Lys* *HE2* *H* *2.88* *.* *1* old residue 114 adding: *1067* *114* *Lys* *HE3* *H* *2.88* *.* *1* old residue 114 adding: *1068* *114* *Lys* *CA* *C* *60.8* *.* *1* old residue 114 adding: *1069* *114* *Lys* *CB* *C* *31.5* *.* *1* old residue 114 adding: *1070* *114* *Lys* *CG* *C* *25.2* *.* *1* old residue 114 adding: *1071* *114* *Lys* *CD* *C* *29.5* *.* *1* old residue 114 adding: *1072* *114* *Lys* *CE* *C* *41.3* *.* *1* old residue 114 adding: *1073* *114* *Lys* *N* *N* *120.6* *.* *1* new residue 115 adding: *1074* *115* *Asp* *H* *H* *8.18* *.* *1* old residue 115 adding: *1075* *115* *Asp* *HA* *H* *4.30* *.* *1* old residue 115 adding: *1076* *115* *Asp* *HB2* *H* *2.14* *.* *2* old residue 115 adding: *1077* *115* *Asp* *HB3* *H* *2.63* *.* *2* old residue 115 adding: *1078* *115* *Asp* *CA* *C* *56.8* *.* *1* old residue 115 adding: *1079* *115* *Asp* *CB* *C* *39.6* *.* *1* old residue 115 adding: *1080* *115* *Asp* *N* *N* *118.8* *.* *1* new residue 116 adding: *1081* *116* *Glu* *H* *H* *7.99* *.* *1* old residue 116 adding: *1082* *116* *Glu* *HA* *H* *4.06* *.* *1* old residue 116 adding: *1083* *116* *Glu* *HB2* *H* *2.12* *.* *2* old residue 116 adding: *1084* *116* *Glu* *HB3* *H* *2.17* *.* *2* old residue 116 adding: *1085* *116* *Glu* *HG2* *H* *2.25* *.* *2* old residue 116 adding: *1086* *116* *Glu* *HG3* *H* *2.35* *.* *2* old residue 116 adding: *1087* *116* *Glu* *CA* *C* *58.4* *.* *1* old residue 116 adding: *1088* *116* *Glu* *CB* *C* *29.0* *.* *1* old residue 116 adding: *1089* *116* *Glu* *CG* *C* *35.8* *.* *1* old residue 116 adding: *1090* *116* *Glu* *N* *N* *120.8* *.* *1* new residue 117 adding: *1091* *117* *Ile* *H* *H* *8.37* *.* *1* old residue 117 adding: *1092* *117* *Ile* *HA* *H* *3.61* *.* *1* old residue 117 adding: *1093* *117* *Ile* *HB* *H* *1.94* *.* *1* old residue 117 adding: *1094* *117* *Ile* *HG12* *H* *0.96* *.* *2* old residue 117 adding: *1095* *117* *Ile* *HG13* *H* *1.93* *.* *2* old residue 117 adding: *1096* *117* *Ile* *HG2* *H* *0.95* *.* *1* old residue 117 adding: *1097* *117* *Ile* *HD1* *H* *0.74* *.* *1* old residue 117 adding: *1098* *117* *Ile* *CA* *C* *64.8* *.* *1* old residue 117 adding: *1099* *117* *Ile* *CB* *C* *38.6* *.* *1* old residue 117 adding: *1100* *117* *Ile* *CG1* *C* *29.3* *.* *1* old residue 117 adding: *1101* *117* *Ile* *CG2* *C* *17.6* *.* *1* old residue 117 adding: *1102* *117* *Ile* *CD1* *C* *14.4* *.* *1* old residue 117 adding: *1103* *117* *Ile* *N* *N* *119.7* *.* *1* new residue 118 adding: *1104* *118* *Ala* *H* *H* *7.72* *.* *1* old residue 118 adding: *1105* *118* *Ala* *HA* *H* *4.25* *.* *1* old residue 118 adding: *1106* *118* *Ala* *HB* *H* *1.50* *.* *1* old residue 118 adding: *1107* *118* *Ala* *CA* *C* *52.9* *.* *1* old residue 118 adding: *1108* *118* *Ala* *CB* *C* *18.7* *.* *1* old residue 118 adding: *1109* *118* *Ala* *N* *N* *119.9* *.* *1* new residue 119 adding: *1110* *119* *Arg* *H* *H* *7.45* *.* *1* old residue 119 adding: *1111* *119* *Arg* *HA* *H* *4.11* *.* *1* old residue 119 adding: *1112* *119* *Arg* *HB2* *H* *2.03* *.* *2* old residue 119 adding: *1113* *119* *Arg* *HB3* *H* *1.88* *.* *2* old residue 119 adding: *1114* *119* *Arg* *HG2* *H* *1.73* *.* *2* old residue 119 adding: *1115* *119* *Arg* *HG3* *H* *1.82* *.* *2* old residue 119 adding: *1116* *119* *Arg* *HD2* *H* *3.26* *.* *1* old residue 119 adding: *1117* *119* *Arg* *HD3* *H* *3.26* *.* *1* old residue 119 adding: *1118* *119* *Arg* *CA* *C* *57.6* *.* *1* old residue 119 adding: *1119* *119* *Arg* *CB* *C* *31.0* *.* *1* old residue 119 adding: *1120* *119* *Arg* *CG* *C* *27.3* *.* *1* old residue 119 adding: *1121* *119* *Arg* *CD* *C* *43.7* *.* *1* old residue 119 adding: *1122* *119* *Arg* *N* *N* *118.4* *.* *1* new residue 120 adding: *1123* *120* *Glu* *H* *H* *8.89* *.* *1* old residue 120 adding: *1124* *120* *Glu* *HA* *H* *4.28* *.* *1* old residue 120 adding: *1125* *120* *Glu* *HB2* *H* *1.97* *.* *2* old residue 120 adding: *1126* *120* *Glu* *HB3* *H* *2.11* *.* *2* old residue 120 adding: *1127* *120* *Glu* *HG2* *H* *2.28* *.* *2* old residue 120 adding: *1128* *120* *Glu* *HG3* *H* *2.31* *.* *2* old residue 120 adding: *1129* *120* *Glu* *CA* *C* *57.6* *.* *1* old residue 120 adding: *1130* *120* *Glu* *CB* *C* *30.1* *.* *1* old residue 120 adding: *1131* *120* *Glu* *CG* *C* *36.0* *.* *1* old residue 120 adding: *1132* *120* *Glu* *N* *N* *114.9* *.* *1* new residue 123 adding: *1133* *123* *Arg* *HA* *H* *4.28* *.* *1* old residue 123 adding: *1134* *123* *Arg* *HB2* *H* *1.76* *.* *2* old residue 123 adding: *1135* *123* *Arg* *HB3* *H* *1.85* *.* *2* old residue 123 adding: *1136* *123* *Arg* *HG2* *H* *1.58* *.* *1* old residue 123 adding: *1137* *123* *Arg* *HG3* *H* *1.58* *.* *1* old residue 123 adding: *1138* *123* *Arg* *HD2* *H* *3.16* *.* *1* old residue 123 adding: *1139* *123* *Arg* *HD3* *H* *3.16* *.* *1* old residue 123 adding: *1140* *123* *Arg* *CA* *C* *56.0* *.* *1* old residue 123 adding: *1141* *123* *Arg* *CB* *C* *30.1* *.* *1* old residue 123 adding: *1142* *123* *Arg* *CG* *C* *27.0* *.* *1* old residue 123 adding: *1143* *123* *Arg* *CD* *C* *43.1* *.* *1* seqcode size is : 110 seqcode: 33 shift counts are : 5 seqcode: 32 shift counts are : 4 seqcode: 90 shift counts are : 13 seqcode: 63 shift counts are : 15 seqcode: 21 shift counts are : 6 seqcode: 118 shift counts are : 6 seqcode: 71 shift counts are : 9 seqcode: 102 shift counts are : 13 seqcode: 7 shift counts are : 13 seqcode: 80 shift counts are : 7 seqcode: 26 shift counts are : 10 seqcode: 119 shift counts are : 13 seqcode: 99 shift counts are : 15 seqcode: 18 shift counts are : 10 seqcode: 72 shift counts are : 15 seqcode: 16 shift counts are : 10 seqcode: 44 shift counts are : 10 seqcode: 55 shift counts are : 6 seqcode: 84 shift counts are : 10 seqcode: 74 shift counts are : 13 seqcode: 95 shift counts are : 1 seqcode: 57 shift counts are : 5 seqcode: 61 shift counts are : 13 seqcode: 108 shift counts are : 13 seqcode: 115 shift counts are : 7 seqcode: 20 shift counts are : 5 seqcode: 109 shift counts are : 8 seqcode: 92 shift counts are : 9 seqcode: 103 shift counts are : 9 seqcode: 89 shift counts are : 7 seqcode: 10 shift counts are : 9 seqcode: 113 shift counts are : 10 seqcode: 11 shift counts are : 10 seqcode: 91 shift counts are : 10 seqcode: 78 shift counts are : 10 seqcode: 107 shift counts are : 13 seqcode: 48 shift counts are : 7 seqcode: 87 shift counts are : 13 seqcode: 93 shift counts are : 9 seqcode: 77 shift counts are : 6 seqcode: 106 shift counts are : 10 seqcode: 65 shift counts are : 13 seqcode: 123 shift counts are : 11 seqcode: 50 shift counts are : 13 seqcode: 39 shift counts are : 8 seqcode: 64 shift counts are : 10 seqcode: 97 shift counts are : 14 seqcode: 114 shift counts are : 16 seqcode: 58 shift counts are : 6 seqcode: 12 shift counts are : 13 seqcode: 41 shift counts are : 7 seqcode: 15 shift counts are : 10 seqcode: 81 shift counts are : 10 seqcode: 52 shift counts are : 6 seqcode: 60 shift counts are : 10 seqcode: 56 shift counts are : 10 seqcode: 101 shift counts are : 7 seqcode: 73 shift counts are : 10 seqcode: 66 shift counts are : 5 seqcode: 45 shift counts are : 10 seqcode: 86 shift counts are : 10 seqcode: 76 shift counts are : 10 seqcode: 19 shift counts are : 16 seqcode: 62 shift counts are : 13 seqcode: 54 shift counts are : 19 seqcode: 67 shift counts are : 6 seqcode: 70 shift counts are : 10 seqcode: 68 shift counts are : 14 seqcode: 17 shift counts are : 6 seqcode: 116 shift counts are : 10 seqcode: 88 shift counts are : 13 seqcode: 100 shift counts are : 16 seqcode: 110 shift counts are : 13 seqcode: 82 shift counts are : 15 seqcode: 25 shift counts are : 10 seqcode: 120 shift counts are : 10 seqcode: 83 shift counts are : 13 seqcode: 40 shift counts are : 13 seqcode: 75 shift counts are : 13 seqcode: 14 shift counts are : 13 seqcode: 112 shift counts are : 6 seqcode: 59 shift counts are : 13 seqcode: 69 shift counts are : 11 seqcode: 49 shift counts are : 10 seqcode: 24 shift counts are : 13 seqcode: 104 shift counts are : 10 seqcode: 53 shift counts are : 13 seqcode: 79 shift counts are : 16 seqcode: 42 shift counts are : 11 seqcode: 22 shift counts are : 7 seqcode: 46 shift counts are : 10 seqcode: 23 shift counts are : 13 seqcode: 13 shift counts are : 12 seqcode: 105 shift counts are : 7 seqcode: 96 shift counts are : 7 seqcode: 6 shift counts are : 11 seqcode: 85 shift counts are : 13 seqcode: 36 shift counts are : 13 seqcode: 94 shift counts are : 13 seqcode: 111 shift counts are : 9 seqcode: 9 shift counts are : 12 seqcode: 51 shift counts are : 6 seqcode: 47 shift counts are : 10 seqcode: 38 shift counts are : 10 seqcode: 8 shift counts are : 10 seqcode: 98 shift counts are : 13 seqcode: 34 shift counts are : 11 seqcode: 37 shift counts are : 15 seqcode: 117 shift counts are : 13 seqcode: 43 shift counts are : 6 setting ambig code at 23 for HD2 to 2 setting ambig code at 22 for HD1 to 2 setting ambig code at 122 for HG2 to 2 setting ambig code at 121 for HG1 to 2 setting ambig code at 331 for HG2 to 2 setting ambig code at 330 for HG1 to 2 setting ambig code at 498 for HD2 to 2 setting ambig code at 497 for HD1 to 2 setting ambig code at 1056 for HG2 to 2 setting ambig code at 1055 for HG1 to 2 setting ambig code at 831 for HG2 to 2 setting ambig code at 830 for HG1 to 2 setting ambig code at 681 for HG2 to 2 setting ambig code at 680 for HG1 to 2 setting ambig code at 997 for HD2 to 2 setting ambig code at 996 for HD1 to 2 setting ambig code at 788 for HD2 to 2 setting ambig code at 787 for HD1 to 2 setting ambig code at 984 for HG2 to 2 setting ambig code at 983 for HG1 to 2 setting ambig code at 391 for HD2 to 2 setting ambig code at 390 for HD1 to 2 setting ambig code at 536 for HG2 to 2 setting ambig code at 535 for HG1 to 2 setting ambig code at 775 for HG2 to 2 setting ambig code at 774 for HG1 to 2 setting ambig code at 595 for HG2 to 2 setting ambig code at 594 for HG1 to 2 setting ambig code at 1031 for HD2 to 2 setting ambig code at 1030 for HD1 to 2 setting ambig code at 742 for HD2 to 2 setting ambig code at 741 for HD1 to 2 setting ambig code at 475 for HD2 to 2 setting ambig code at 474 for HD1 to 2 setting ambig code at 11 for HD2 to 2 setting ambig code at 10 for HD1 to 2 setting ambig code at 765 for HD2 to 2 setting ambig code at 764 for HD1 to 2 1 6 LEU HA H 4.23 . 1 2 6 LEU HB2 H 1.44 . 2 3 6 LEU HB3 H 1.79 . 2 4 6 LEU HG H 1.37 . 1 5 6 LEU HD1 H 0.66 . 2 6 6 LEU HD2 H 0.58 . 2 7 6 LEU CA C 58.0 . 1 8 6 LEU CB C 40.9 . 1 9 6 LEU CG C 26.5 . 1 10 6 LEU CD1 C 26.5 . 2 11 6 LEU CD2 C 23.9 . 2 12 7 LEU H H 8.97 . 1 13 7 LEU HA H 3.97 . 1 14 7 LEU HB2 H 1.64 . 2 15 7 LEU HB3 H 1.91 . 2 16 7 LEU HG H 1.62 . 1 17 7 LEU HD1 H 0.96 . 2 18 7 LEU HD2 H 0.94 . 2 19 7 LEU CA C 58.5 . 1 20 7 LEU CB C 41.0 . 1 21 7 LEU CG C 26.8 . 1 22 7 LEU CD1 C 25.5 . 2 23 7 LEU CD2 C 23.0 . 2 24 7 LEU N N 124.3 . 1 25 8 GLU H H 7.91 . 1 26 8 GLU HA H 4.04 . 1 27 8 GLU HB2 H 2.05 . 2 28 8 GLU HB3 H 2.31 . 2 29 8 GLU HG2 H 2.29 . 2 30 8 GLU HG3 H 2.40 . 2 31 8 GLU CA C 59.5 . 1 32 8 GLU CB C 29.2 . 1 33 8 GLU CG C 36.8 . 1 34 8 GLU N N 119.0 . 1 35 9 MET H H 8.52 . 1 36 9 MET HA H 4.03 . 1 37 9 MET HB2 H 2.52 . 1 38 9 MET HB3 H 2.52 . 1 39 9 MET HG2 H 2.42 . 2 40 9 MET HG3 H 2.78 . 2 41 9 MET HE H 2.00 . 1 42 9 MET CA C 59.9 . 1 43 9 MET CB C 36.0 . 1 44 9 MET CG C 32.9 . 1 45 9 MET CE C 17.6 . 1 46 9 MET N N 117.5 . 1 47 10 THR H H 8.47 . 1 48 10 THR HA H 3.55 . 1 49 10 THR HB H 4.49 . 1 50 10 THR HG1 H 5.21 . 1 51 10 THR HG2 H 1.21 . 1 52 10 THR CA C 67.2 . 1 53 10 THR CB C 68.5 . 1 54 10 THR CG2 C 22.6 . 1 55 10 THR N N 116.6 . 1 56 11 GLU H H 8.50 . 1 57 11 GLU HA H 3.91 . 1 58 11 GLU HB2 H 2.08 . 2 59 11 GLU HB3 H 1.97 . 2 60 11 GLU HG2 H 2.06 . 2 61 11 GLU HG3 H 2.46 . 2 62 11 GLU CA C 59.4 . 1 63 11 GLU CB C 29.2 . 1 64 11 GLU CG C 36.8 . 1 65 11 GLU N N 119.4 . 1 66 12 GLN H H 8.14 . 1 67 12 GLN HA H 4.10 . 1 68 12 GLN HB2 H 2.09 . 2 69 12 GLN HB3 H 2.26 . 2 70 12 GLN HG2 H 2.32 . 2 71 12 GLN HG3 H 2.50 . 2 72 12 GLN HE21 H 7.34 . 2 73 12 GLN HE22 H 6.70 . 2 74 12 GLN CA C 59.0 . 1 75 12 GLN CB C 27.8 . 1 76 12 GLN CG C 33.7 . 1 77 12 GLN N N 120.4 . 1 78 12 GLN NE2 N 110.1 . 1 79 13 MET H H 8.12 . 1 80 13 MET HA H 3.71 . 1 81 13 MET HB2 H 1.20 . 2 82 13 MET HB3 H 1.61 . 2 83 13 MET HG2 H 1.20 . 1 84 13 MET HG3 H 1.20 . 1 85 13 MET HE H 0.30 . 1 86 13 MET CA C 59.6 . 1 87 13 MET CB C 33.3 . 1 88 13 MET CG C 33.4 . 1 89 13 MET CE C 14.2 . 1 90 13 MET N N 118.5 . 1 91 14 ILE H H 8.04 . 1 92 14 ILE HA H 3.27 . 1 93 14 ILE HB H 1.75 . 1 94 14 ILE HG12 H 1.53 . 1 95 14 ILE HG13 H 1.53 . 1 96 14 ILE HG2 H 0.80 . 1 97 14 ILE HD1 H 0.22 . 1 98 14 ILE CA C 65.7 . 1 99 14 ILE CB C 38.0 . 1 100 14 ILE CG1 C 29.6 . 1 101 14 ILE CG2 C 16.7 . 1 102 14 ILE CD1 C 12.6 . 1 103 14 ILE N N 119.4 . 1 104 15 GLU H H 7.70 . 1 105 15 GLU HA H 4.11 . 1 106 15 GLU HB2 H 2.07 . 2 107 15 GLU HB3 H 2.16 . 2 108 15 GLU HG2 H 2.21 . 2 109 15 GLU HG3 H 2.38 . 2 110 15 GLU CA C 59.3 . 1 111 15 GLU CB C 29.2 . 1 112 15 GLU CG C 36.4 . 1 113 15 GLU N N 119.0 . 1 114 16 VAL H H 8.41 . 1 115 16 VAL HA H 3.53 . 1 116 16 VAL HB H 2.29 . 1 117 16 VAL HG1 H 0.78 . 2 118 16 VAL HG2 H 1.24 . 2 119 16 VAL CA C 66.6 . 1 120 16 VAL CB C 31.9 . 1 121 16 VAL CG1 C 22.9 . 2 122 16 VAL CG2 C 21.8 . 2 123 16 VAL N N 119.5 . 1 124 17 ALA H H 8.60 . 1 125 17 ALA HA H 4.08 . 1 126 17 ALA HB H 1.45 . 1 127 17 ALA CA C 54.7 . 1 128 17 ALA CB C 17.7 . 1 129 17 ALA N N 123.1 . 1 130 18 GLU H H 8.85 . 1 131 18 GLU HA H 3.99 . 1 132 18 GLU HB2 H 2.23 . 2 133 18 GLU HB3 H 1.96 . 2 134 18 GLU HG2 H 2.14 . 2 135 18 GLU HG3 H 2.68 . 2 136 18 GLU CA C 59.5 . 1 137 18 GLU CB C 29.7 . 1 138 18 GLU CG C 37.3 . 1 139 18 GLU N N 117.9 . 1 140 19 LYS H H 8.75 . 1 141 19 LYS HA H 4.15 . 1 142 19 LYS HB2 H 2.00 . 2 143 19 LYS HB3 H 1.74 . 2 144 19 LYS HG2 H 1.54 . 2 145 19 LYS HG3 H 1.69 . 2 146 19 LYS HD2 H 1.67 . 1 147 19 LYS HD3 H 1.67 . 1 148 19 LYS HE2 H 2.96 . 1 149 19 LYS HE3 H 2.96 . 1 150 19 LYS CA C 58.7 . 1 151 19 LYS CB C 31.9 . 1 152 19 LYS CG C 25.7 . 1 153 19 LYS CD C 28.8 . 1 154 19 LYS CE C 42.1 . 1 155 19 LYS N N 119.2 . 1 156 20 GLY H H 8.64 . 1 157 20 GLY HA2 H 3.79 . 2 158 20 GLY HA3 H 3.50 . 2 159 20 GLY CA C 46.4 . 1 160 20 GLY N N 110.3 . 1 161 21 ALA H H 8.55 . 1 162 21 ALA HA H 4.49 . 1 163 21 ALA HB H 1.68 . 1 164 21 ALA CA C 55.1 . 1 165 21 ALA CB C 17.3 . 1 166 21 ALA N N 125.3 . 1 167 22 ASP H H 7.66 . 1 168 22 ASP HA H 4.46 . 1 169 22 ASP HB2 H 2.72 . 1 170 22 ASP HB3 H 2.72 . 1 171 22 ASP CA C 56.9 . 1 172 22 ASP CB C 40.5 . 1 173 22 ASP N N 119.0 . 1 174 23 ARG H H 8.11 . 1 175 23 ARG HA H 4.00 . 1 176 23 ARG HB2 H 1.69 . 2 177 23 ARG HB3 H 1.82 . 2 178 23 ARG HG2 H 1.53 . 1 179 23 ARG HG3 H 1.53 . 1 180 23 ARG HD2 H 3.16 . 1 181 23 ARG HD3 H 3.16 . 1 182 23 ARG CA C 59.2 . 1 183 23 ARG CB C 30.7 . 1 184 23 ARG CG C 27.0 . 1 185 23 ARG CD C 43.1 . 1 186 23 ARG N N 121.8 . 1 187 24 TYR H H 8.46 . 1 188 24 TYR HA H 3.78 . 1 189 24 TYR HB2 H 2.11 . 2 190 24 TYR HB3 H 2.39 . 2 191 24 TYR HD1 H 6.42 . 1 192 24 TYR HD2 H 6.42 . 1 193 24 TYR HE1 H 6.24 . 1 194 24 TYR HE2 H 6.24 . 1 195 24 TYR CA C 60.9 . 1 196 24 TYR CB C 39.4 . 1 197 24 TYR CD1 C 132.7 . 1 198 24 TYR CE1 C 115.5 . 1 199 24 TYR N N 120.4 . 1 200 25 GLN H H 7.54 . 1 201 25 GLN HA H 3.75 . 1 202 25 GLN HB2 H 2.16 . 2 203 25 GLN HB3 H 2.19 . 2 204 25 GLN HG2 H 2.46 . 1 205 25 GLN HG3 H 2.46 . 1 206 25 GLN CA C 57.8 . 1 207 25 GLN CB C 28.4 . 1 208 25 GLN CG C 33.5 . 1 209 25 GLN N N 117.5 . 1 210 26 GLU H H 7.98 . 1 211 26 GLU HA H 4.01 . 1 212 26 GLU HB2 H 2.03 . 1 213 26 GLU HB3 H 2.03 . 1 214 26 GLU HG2 H 2.24 . 2 215 26 GLU HG3 H 2.34 . 2 216 26 GLU CA C 57.9 . 1 217 26 GLU CB C 29.7 . 1 218 26 GLU CG C 36.0 . 1 219 26 GLU N N 117.9 . 1 220 32 HIS HA H 4.62 . 1 221 32 HIS HB2 H 3.75 . 1 222 32 HIS HB3 H 3.75 . 1 223 32 HIS CA C 56.9 . 1 224 33 SER HA H 4.61 . 1 225 33 SER HB2 H 3.73 . 1 226 33 SER HB3 H 3.73 . 1 227 33 SER CA C 56.9 . 1 228 33 SER CB C 64.0 . 1 229 34 TYR HA H 4.63 . 1 230 34 TYR HB2 H 2.76 . 1 231 34 TYR HB3 H 2.76 . 1 232 34 TYR HD1 H 7.43 . 1 233 34 TYR HD2 H 7.43 . 1 234 34 TYR HE1 H 6.99 . 1 235 34 TYR HE2 H 6.99 . 1 236 34 TYR CA C 56.9 . 1 237 34 TYR CB C 40.7 . 1 238 34 TYR CD1 C 133.5 . 1 239 34 TYR CE1 C 117.5 . 1 240 36 PHE HA H 3.91 . 1 241 36 PHE HB2 H 2.63 . 2 242 36 PHE HB3 H 3.15 . 2 243 36 PHE HD1 H 6.40 . 1 244 36 PHE HD2 H 6.40 . 1 245 36 PHE HE1 H 7.04 . 1 246 36 PHE HE2 H 7.04 . 1 247 36 PHE HZ H 7.13 . 1 248 36 PHE CA C 62.0 . 1 249 36 PHE CB C 39.2 . 1 250 36 PHE CD1 C 130.8 . 1 251 36 PHE CE1 C 130.5 . 1 252 36 PHE CZ C 129.1 . 1 253 37 PHE H H 8.09 . 1 254 37 PHE HA H 3.98 . 1 255 37 PHE HB2 H 3.13 . 1 256 37 PHE HB3 H 3.13 . 1 257 37 PHE HD1 H 7.45 . 1 258 37 PHE HD2 H 7.45 . 1 259 37 PHE HE1 H 7.47 . 1 260 37 PHE HE2 H 7.47 . 1 261 37 PHE HZ H 7.36 . 1 262 37 PHE CA C 61.6 . 1 263 37 PHE CB C 38.6 . 1 264 37 PHE CD1 C 131.2 . 1 265 37 PHE CE1 C 130.6 . 1 266 37 PHE CZ C 129.3 . 1 267 37 PHE N N 116.2 . 1 268 38 GLU H H 9.00 . 1 269 38 GLU HA H 4.13 . 1 270 38 GLU HB2 H 1.96 . 2 271 38 GLU HB3 H 2.06 . 2 272 38 GLU HG2 H 2.26 . 2 273 38 GLU HG3 H 2.36 . 2 274 38 GLU CA C 57.7 . 1 275 38 GLU CB C 30.6 . 1 276 38 GLU CG C 36.3 . 1 277 38 GLU N N 116.0 . 1 278 39 THR H H 7.39 . 1 279 39 THR HA H 4.28 . 1 280 39 THR HB H 4.08 . 1 281 39 THR HG2 H 0.94 . 1 282 39 THR CA C 64.1 . 1 283 39 THR CB C 70.0 . 1 284 39 THR CG2 C 22.5 . 1 285 39 THR N N 110.4 . 1 286 40 ILE H H 7.25 . 1 287 40 ILE HA H 2.57 . 1 288 40 ILE HB H 1.47 . 1 289 40 ILE HG12 H 0.20 . 2 290 40 ILE HG13 H 1.13 . 2 291 40 ILE HG2 H 0.51 . 1 292 40 ILE HD1 H 0.77 . 1 293 40 ILE CA C 65.8 . 1 294 40 ILE CB C 37.3 . 1 295 40 ILE CG1 C 27.6 . 1 296 40 ILE CG2 C 16.6 . 1 297 40 ILE CD1 C 13.6 . 1 298 40 ILE N N 120.9 . 1 299 41 LYS H H 8.40 . 1 300 41 LYS HA H 3.65 . 1 301 41 LYS HB2 H 1.60 . 1 302 41 LYS HB3 H 1.60 . 1 303 41 LYS CA C 59.0 . 1 304 41 LYS CB C 29.7 . 1 305 41 LYS N N 118.8 . 1 306 42 PRO HA H 4.28 . 1 307 42 PRO HB2 H 1.63 . 2 308 42 PRO HB3 H 2.17 . 2 309 42 PRO HG2 H 1.75 . 1 310 42 PRO HG3 H 1.75 . 1 311 42 PRO HD2 H 2.95 . 2 312 42 PRO HD3 H 3.32 . 2 313 42 PRO CA C 65.3 . 1 314 42 PRO CB C 30.2 . 1 315 42 PRO CG C 27.9 . 1 316 42 PRO CD C 49.4 . 1 317 43 ALA H H 6.79 . 1 318 43 ALA HA H 4.19 . 1 319 43 ALA HB H 1.31 . 1 320 43 ALA CA C 54.9 . 1 321 43 ALA CB C 18.0 . 1 322 43 ALA N N 119.5 . 1 323 44 VAL H H 8.38 . 1 324 44 VAL HA H 3.46 . 1 325 44 VAL HB H 2.15 . 1 326 44 VAL HG1 H 0.94 . 2 327 44 VAL HG2 H 0.91 . 2 328 44 VAL CA C 67.2 . 1 329 44 VAL CB C 31.5 . 1 330 44 VAL CG1 C 22.8 . 2 331 44 VAL CG2 C 21.1 . 2 332 44 VAL N N 120.5 . 1 333 45 GLU H H 8.41 . 1 334 45 GLU HA H 4.06 . 1 335 45 GLU HB2 H 2.00 . 2 336 45 GLU HB3 H 2.04 . 2 337 45 GLU HG2 H 2.26 . 2 338 45 GLU HG3 H 2.48 . 2 339 45 GLU CA C 59.6 . 1 340 45 GLU CB C 29.3 . 1 341 45 GLU CG C 36.9 . 1 342 45 GLU N N 118.4 . 1 343 46 GLU H H 8.39 . 1 344 46 GLU HA H 4.20 . 1 345 46 GLU HB2 H 2.03 . 2 346 46 GLU HB3 H 2.17 . 2 347 46 GLU HG2 H 2.31 . 1 348 46 GLU HG3 H 2.31 . 1 349 46 GLU CA C 58.9 . 1 350 46 GLU CB C 29.3 . 1 351 46 GLU CG C 35.9 . 1 352 46 GLU N N 118.8 . 1 353 47 ASN H H 7.70 . 1 354 47 ASN HA H 4.90 . 1 355 47 ASN HB2 H 2.72 . 2 356 47 ASN HB3 H 2.82 . 2 357 47 ASN HD21 H 7.49 . 2 358 47 ASN HD22 H 6.72 . 2 359 47 ASN CA C 57.1 . 1 360 47 ASN CB C 39.0 . 1 361 47 ASN N N 118.0 . 1 362 47 ASN ND2 N 112.5 . 1 363 48 ASP H H 8.81 . 1 364 48 ASP HA H 4.52 . 1 365 48 ASP HB2 H 2.88 . 2 366 48 ASP HB3 H 2.96 . 2 367 48 ASP CA C 57.8 . 1 368 48 ASP CB C 41.7 . 1 369 48 ASP N N 124.0 . 1 370 49 GLU H H 7.31 . 1 371 49 GLU HA H 4.07 . 1 372 49 GLU HB2 H 2.15 . 1 373 49 GLU HB3 H 2.15 . 1 374 49 GLU HG2 H 2.32 . 2 375 49 GLU HG3 H 2.45 . 2 376 49 GLU CA C 59.5 . 1 377 49 GLU CB C 29.3 . 1 378 49 GLU CG C 35.9 . 1 379 49 GLU N N 117.6 . 1 380 50 LEU H H 7.59 . 1 381 50 LEU HA H 4.16 . 1 382 50 LEU HB2 H 2.12 . 2 383 50 LEU HB3 H 1.68 . 2 384 50 LEU HG H 1.56 . 1 385 50 LEU HD1 H 0.96 . 2 386 50 LEU HD2 H 1.00 . 2 387 50 LEU CA C 58.0 . 1 388 50 LEU CB C 41.8 . 1 389 50 LEU CG C 26.8 . 1 390 50 LEU CD1 C 22.1 . 2 391 50 LEU CD2 C 26.4 . 2 392 50 LEU N N 119.5 . 1 393 51 ALA H H 8.62 . 1 394 51 ALA HA H 4.21 . 1 395 51 ALA HB H 1.63 . 1 396 51 ALA CA C 54.9 . 1 397 51 ALA CB C 18.6 . 1 398 51 ALA N N 118.9 . 1 399 52 ALA H H 8.41 . 1 400 52 ALA HA H 4.21 . 1 401 52 ALA HB H 1.59 . 1 402 52 ALA CA C 55.1 . 1 403 52 ALA CB C 18.4 . 1 404 52 ALA N N 119.4 . 1 405 53 ARG H H 8.07 . 1 406 53 ARG HA H 4.13 . 1 407 53 ARG HB2 H 2.11 . 2 408 53 ARG HB3 H 1.90 . 2 409 53 ARG HG2 H 1.92 . 2 410 53 ARG HG3 H 1.81 . 2 411 53 ARG HD2 H 3.27 . 1 412 53 ARG HD3 H 3.27 . 1 413 53 ARG CA C 59.1 . 1 414 53 ARG CB C 30.9 . 1 415 53 ARG CG C 27.8 . 1 416 53 ARG CD C 43.5 . 1 417 53 ARG N N 119.5 . 1 418 54 TRP H H 9.27 . 1 419 54 TRP HA H 3.83 . 1 420 54 TRP HB2 H 3.07 . 2 421 54 TRP HB3 H 3.44 . 2 422 54 TRP HD1 H 6.76 . 1 423 54 TRP HE1 H 9.82 . 1 424 54 TRP HE3 H 7.49 . 1 425 54 TRP HZ2 H 6.99 . 1 426 54 TRP HZ3 H 7.02 . 1 427 54 TRP HH2 H 6.74 . 1 428 54 TRP CA C 62.4 . 1 429 54 TRP CB C 29.2 . 1 430 54 TRP CD1 C 125.5 . 1 431 54 TRP CE3 C 120.2 . 1 432 54 TRP CZ2 C 112.5 . 1 433 54 TRP CZ3 C 120.3 . 1 434 54 TRP CH2 C 121.7 . 1 435 54 TRP N N 124.0 . 1 436 54 TRP NE1 N 128.4 . 1 437 55 ALA H H 8.81 . 1 438 55 ALA HA H 3.22 . 1 439 55 ALA HB H 1.52 . 1 440 55 ALA CA C 55.1 . 1 441 55 ALA CB C 17.5 . 1 442 55 ALA N N 120.8 . 1 443 56 GLU H H 7.46 . 1 444 56 GLU HA H 3.88 . 1 445 56 GLU HB2 H 2.04 . 2 446 56 GLU HB3 H 2.10 . 2 447 56 GLU HG2 H 2.22 . 2 448 56 GLU HG3 H 2.38 . 2 449 56 GLU CA C 59.2 . 1 450 56 GLU CB C 29.5 . 1 451 56 GLU CG C 36.0 . 1 452 56 GLU N N 114.8 . 1 453 57 GLY H H 7.65 . 1 454 57 GLY HA2 H 3.49 . 2 455 57 GLY HA3 H 3.85 . 2 456 57 GLY CA C 47.1 . 1 457 57 GLY N N 106.0 . 1 458 58 ALA H H 8.95 . 1 459 58 ALA HA H 3.64 . 1 460 58 ALA HB H 0.34 . 1 461 58 ALA CA C 54.5 . 1 462 58 ALA CB C 16.7 . 1 463 58 ALA N N 127.4 . 1 464 59 LEU H H 8.37 . 1 465 59 LEU HA H 3.92 . 1 466 59 LEU HB2 H 1.86 . 2 467 59 LEU HB3 H 1.31 . 2 468 59 LEU HG H 1.82 . 1 469 59 LEU HD1 H 0.83 . 2 470 59 LEU HD2 H 0.84 . 2 471 59 LEU CA C 57.3 . 1 472 59 LEU CB C 40.8 . 1 473 59 LEU CG C 27.0 . 1 474 59 LEU CD1 C 25.2 . 2 475 59 LEU CD2 C 23.4 . 2 476 59 LEU N N 116.8 . 1 477 60 GLU H H 7.31 . 1 478 60 GLU HA H 4.03 . 1 479 60 GLU HB2 H 2.04 . 2 480 60 GLU HB3 H 2.08 . 2 481 60 GLU HG2 H 2.29 . 1 482 60 GLU HG3 H 2.29 . 1 483 60 GLU CA C 58.8 . 1 484 60 GLU CB C 28.9 . 1 485 60 GLU CG C 35.6 . 1 486 60 GLU N N 119.0 . 1 487 61 LEU H H 7.70 . 1 488 61 LEU HA H 4.00 . 1 489 61 LEU HB2 H 2.04 . 2 490 61 LEU HB3 H 1.38 . 2 491 61 LEU HG H 1.44 . 1 492 61 LEU HD1 H 0.85 . 2 493 61 LEU HD2 H 0.72 . 2 494 61 LEU CA C 58.1 . 1 495 61 LEU CB C 41.4 . 1 496 61 LEU CG C 26.6 . 1 497 61 LEU CD1 C 26.1 . 2 498 61 LEU CD2 C 23.8 . 2 499 61 LEU N N 120.8 . 1 500 62 ILE H H 7.51 . 1 501 62 ILE HA H 4.04 . 1 502 62 ILE HB H 1.99 . 1 503 62 ILE HG12 H 1.33 . 1 504 62 ILE HG13 H 1.33 . 1 505 62 ILE HG2 H 0.84 . 1 506 62 ILE HD1 H 0.70 . 1 507 62 ILE CA C 63.2 . 1 508 62 ILE CB C 37.2 . 1 509 62 ILE CG1 C 27.4 . 1 510 62 ILE CG2 C 17.6 . 1 511 62 ILE CD1 C 14.0 . 1 512 62 ILE N N 110.7 . 1 513 63 LYS H H 7.52 . 1 514 63 LYS HA H 4.07 . 1 515 63 LYS HB2 H 1.95 . 1 516 63 LYS HB3 H 1.95 . 1 517 63 LYS HG2 H 1.34 . 2 518 63 LYS HG3 H 1.59 . 2 519 63 LYS HD2 H 1.64 . 2 520 63 LYS HD3 H 1.66 . 2 521 63 LYS HE2 H 2.90 . 1 522 63 LYS HE3 H 2.90 . 1 523 63 LYS CA C 58.6 . 1 524 63 LYS CB C 32.8 . 1 525 63 LYS CG C 24.7 . 1 526 63 LYS CD C 29.6 . 1 527 63 LYS N N 121.1 . 1 528 64 VAL H H 7.63 . 1 529 64 VAL HA H 3.95 . 1 530 64 VAL HB H 2.15 . 1 531 64 VAL HG1 H 0.94 . 2 532 64 VAL HG2 H 1.02 . 2 533 64 VAL CA C 63.9 . 1 534 64 VAL CB C 32.4 . 1 535 64 VAL CG1 C 21.0 . 2 536 64 VAL CG2 C 21.1 . 2 537 64 VAL N N 115.2 . 1 538 65 ARG H H 7.98 . 1 539 65 ARG HA H 4.39 . 1 540 65 ARG HB2 H 1.85 . 1 541 65 ARG HB3 H 1.85 . 1 542 65 ARG HG2 H 1.57 . 1 543 65 ARG HG3 H 1.57 . 1 544 65 ARG HD2 H 3.12 . 1 545 65 ARG HD3 H 3.12 . 1 546 65 ARG CA C 55.2 . 1 547 65 ARG CB C 31.5 . 1 548 65 ARG CG C 27.1 . 1 549 65 ARG CD C 43.1 . 1 550 65 ARG N N 118.3 . 1 551 66 ARG HA H 4.34 . 1 552 66 ARG HB2 H 1.79 . 1 553 66 ARG HB3 H 1.79 . 1 554 66 ARG CA C 54.9 . 1 555 66 ARG CB C 29.2 . 1 556 67 PRO HG2 H 2.08 . 2 557 67 PRO HG3 H 1.76 . 2 558 67 PRO HD2 H 3.77 . 2 559 67 PRO HD3 H 3.90 . 2 560 67 PRO CG C 27.4 . 1 561 67 PRO CD C 50.8 . 1 562 68 LYS HA H 4.10 . 1 563 68 LYS HB2 H 1.09 . 2 564 68 LYS HB3 H 1.23 . 2 565 68 LYS HG2 H 0.69 . 2 566 68 LYS HG3 H 1.03 . 2 567 68 LYS HD2 H 1.37 . 2 568 68 LYS HD3 H 1.42 . 2 569 68 LYS HE2 H 2.82 . 1 570 68 LYS HE3 H 2.82 . 1 571 68 LYS CA C 57.9 . 1 572 68 LYS CB C 34.1 . 1 573 68 LYS CG C 24.8 . 1 574 68 LYS CD C 29.2 . 1 575 68 LYS CE C 41.7 . 1 576 69 TYR HA H 4.76 . 1 577 69 TYR HB2 H 2.81 . 2 578 69 TYR HB3 H 3.44 . 2 579 69 TYR HD1 H 7.13 . 1 580 69 TYR HD2 H 7.13 . 1 581 69 TYR HE1 H 6.74 . 1 582 69 TYR HE2 H 6.74 . 1 583 69 TYR CA C 57.8 . 1 584 69 TYR CB C 39.6 . 1 585 69 TYR CD1 C 132.5 . 1 586 69 TYR CE1 C 117.6 . 1 587 70 VAL H H 6.95 . 1 588 70 VAL HA H 4.72 . 1 589 70 VAL HB H 1.82 . 1 590 70 VAL HG1 H 0.78 . 2 591 70 VAL HG2 H 0.96 . 2 592 70 VAL CA C 60.0 . 1 593 70 VAL CB C 34.5 . 1 594 70 VAL CG1 C 20.4 . 2 595 70 VAL CG2 C 21.0 . 2 596 70 VAL N N 115.4 . 1 597 71 HIS H H 7.87 . 1 598 71 HIS HA H 4.91 . 1 599 71 HIS HB2 H 3.04 . 2 600 71 HIS HB3 H 3.28 . 2 601 71 HIS HD2 H 7.01 . 1 602 71 HIS CA C 54.1 . 1 603 71 HIS CB C 33.7 . 1 604 71 HIS CD2 C 119.9 . 1 605 71 HIS N N 120.6 . 1 606 72 LYS H H 8.40 . 1 607 72 LYS HA H 3.68 . 1 608 72 LYS HB2 H 1.77 . 2 609 72 LYS HB3 H 1.85 . 2 610 72 LYS HG2 H 1.30 . 1 611 72 LYS HG3 H 1.30 . 1 612 72 LYS HD2 H 1.65 . 1 613 72 LYS HD3 H 1.65 . 1 614 72 LYS HE2 H 2.95 . 1 615 72 LYS HE3 H 2.95 . 1 616 72 LYS CA C 60.6 . 1 617 72 LYS CB C 32.8 . 1 618 72 LYS CG C 24.0 . 1 619 72 LYS CD C 29.7 . 1 620 72 LYS CE C 41.8 . 1 621 73 GLU H H 9.68 . 1 622 73 GLU HA H 4.17 . 1 623 73 GLU HB2 H 2.07 . 2 624 73 GLU HB3 H 2.12 . 2 625 73 GLU HG2 H 2.37 . 2 626 73 GLU HG3 H 2.48 . 2 627 73 GLU CA C 60.0 . 1 628 73 GLU CB C 28.3 . 1 629 73 GLU CG C 36.9 . 1 630 73 GLU N N 117.3 . 1 631 74 GLN H H 7.36 . 1 632 74 GLN HA H 4.18 . 1 633 74 GLN HB2 H 2.31 . 2 634 74 GLN HB3 H 2.20 . 2 635 74 GLN HG2 H 2.45 . 2 636 74 GLN HG3 H 2.31 . 2 637 74 GLN HE21 H 7.57 . 2 638 74 GLN HE22 H 6.94 . 2 639 74 GLN CA C 58.3 . 1 640 74 GLN CB C 28.3 . 1 641 74 GLN CG C 34.5 . 1 642 74 GLN N N 117.7 . 1 643 74 GLN NE2 N 110.0 . 1 644 75 ILE H H 7.53 . 1 645 75 ILE HA H 3.78 . 1 646 75 ILE HB H 2.11 . 1 647 75 ILE HG12 H 1.33 . 2 648 75 ILE HG13 H 1.10 . 2 649 75 ILE HG2 H 0.76 . 1 650 75 ILE HD1 H 0.56 . 1 651 75 ILE CA C 64.1 . 1 652 75 ILE CB C 36.8 . 1 653 75 ILE CG1 C 28.4 . 1 654 75 ILE CG2 C 18.1 . 1 655 75 ILE CD1 C 12.8 . 1 656 75 ILE N N 120.6 . 1 657 76 GLU H H 8.34 . 1 658 76 GLU HA H 3.97 . 1 659 76 GLU HB2 H 2.08 . 1 660 76 GLU HB3 H 2.08 . 1 661 76 GLU HG2 H 2.18 . 2 662 76 GLU HG3 H 2.51 . 2 663 76 GLU CA C 59.2 . 1 664 76 GLU CB C 29.7 . 1 665 76 GLU CG C 37.3 . 1 666 76 GLU N N 117.5 . 1 667 77 ALA H H 7.39 . 1 668 77 ALA HA H 4.37 . 1 669 77 ALA HB H 1.52 . 1 670 77 ALA CA C 53.4 . 1 671 77 ALA CB C 18.8 . 1 672 77 ALA N N 118.6 . 1 673 78 VAL H H 7.62 . 1 674 78 VAL HA H 3.72 . 1 675 78 VAL HB H 2.43 . 1 676 78 VAL HG1 H 0.56 . 2 677 78 VAL HG2 H 1.34 . 2 678 78 VAL CA C 66.7 . 1 679 78 VAL CB C 31.5 . 1 680 78 VAL CG1 C 22.1 . 2 681 78 VAL CG2 C 24.8 . 2 682 78 VAL N N 116.8 . 1 683 79 LYS H H 8.57 . 1 684 79 LYS HA H 3.78 . 1 685 79 LYS HB2 H 1.92 . 2 686 79 LYS HB3 H 2.06 . 2 687 79 LYS HG2 H 1.48 . 2 688 79 LYS HG3 H 1.52 . 2 689 79 LYS HD2 H 1.68 . 2 690 79 LYS HD3 H 1.72 . 2 691 79 LYS HE2 H 2.99 . 1 692 79 LYS HE3 H 2.99 . 1 693 79 LYS CA C 61.8 . 1 694 79 LYS CB C 31.5 . 1 695 79 LYS CG C 24.9 . 1 696 79 LYS CD C 29.3 . 1 697 79 LYS CE C 41.9 . 1 698 79 LYS N N 119.5 . 1 699 80 ASP H H 8.35 . 1 700 80 ASP HA H 4.49 . 1 701 80 ASP HB2 H 2.63 . 2 702 80 ASP HB3 H 2.66 . 2 703 80 ASP CA C 57.3 . 1 704 80 ASP CB C 40.0 . 1 705 80 ASP N N 115.5 . 1 706 81 ASN H H 7.69 . 1 707 81 ASN HA H 4.54 . 1 708 81 ASN HB2 H 2.80 . 2 709 81 ASN HB3 H 2.46 . 2 710 81 ASN HD21 H 8.02 . 2 711 81 ASN HD22 H 6.98 . 2 712 81 ASN CA C 55.5 . 1 713 81 ASN CB C 38.6 . 1 714 81 ASN N N 118.3 . 1 715 81 ASN ND2 N 111.9 . 1 716 82 PHE H H 9.62 . 1 717 82 PHE HA H 4.06 . 1 718 82 PHE HB2 H 2.97 . 2 719 82 PHE HB3 H 3.12 . 2 720 82 PHE HD1 H 6.92 . 1 721 82 PHE HD2 H 6.92 . 1 722 82 PHE HE1 H 7.45 . 1 723 82 PHE HE2 H 7.45 . 1 724 82 PHE HZ H 7.17 . 1 725 82 PHE CA C 60.9 . 1 726 82 PHE CB C 39.5 . 1 727 82 PHE CD1 C 130.5 . 1 728 82 PHE CE1 C 130.5 . 1 729 82 PHE CZ C 129.9 . 1 730 82 PHE N N 121.4 . 1 731 83 LEU H H 8.21 . 1 732 83 LEU HA H 3.90 . 1 733 83 LEU HB2 H 1.95 . 2 734 83 LEU HB3 H 1.58 . 2 735 83 LEU HG H 2.06 . 1 736 83 LEU HD1 H 1.03 . 2 737 83 LEU HD2 H 0.88 . 2 738 83 LEU CA C 57.0 . 1 739 83 LEU CB C 40.4 . 1 740 83 LEU CG C 27.0 . 1 741 83 LEU CD1 C 22.1 . 2 742 83 LEU CD2 C 25.3 . 2 743 83 LEU N N 117.4 . 1 744 84 GLU H H 7.66 . 1 745 84 GLU HA H 4.15 . 1 746 84 GLU HB2 H 2.09 . 1 747 84 GLU HB3 H 2.09 . 1 748 84 GLU HG2 H 2.30 . 1 749 84 GLU HG3 H 2.30 . 1 750 84 GLU CA C 59.5 . 1 751 84 GLU CB C 28.7 . 1 752 84 GLU CG C 35.9 . 1 753 84 GLU N N 121.5 . 1 754 85 LEU H H 8.10 . 1 755 85 LEU HA H 3.60 . 1 756 85 LEU HB2 H 1.56 . 2 757 85 LEU HB3 H 1.79 . 2 758 85 LEU HG H 1.47 . 1 759 85 LEU HD1 H 0.70 . 2 760 85 LEU HD2 H 0.72 . 2 761 85 LEU CA C 59.3 . 1 762 85 LEU CB C 41.8 . 1 763 85 LEU CG C 26.8 . 1 764 85 LEU CD1 C 28.3 . 2 765 85 LEU CD2 C 23.4 . 2 766 85 LEU N N 121.7 . 1 767 86 VAL H H 8.22 . 1 768 86 VAL HA H 3.10 . 1 769 86 VAL HB H 1.87 . 1 770 86 VAL HG1 H 0.81 . 2 771 86 VAL HG2 H 0.29 . 2 772 86 VAL CA C 67.2 . 1 773 86 VAL CB C 31.5 . 1 774 86 VAL CG1 C 22.0 . 2 775 86 VAL CG2 C 21.2 . 2 776 86 VAL N N 118.4 . 1 777 87 LEU H H 8.45 . 1 778 87 LEU HA H 3.96 . 1 779 87 LEU HB2 H 1.62 . 2 780 87 LEU HB3 H 2.01 . 2 781 87 LEU HG H 1.54 . 1 782 87 LEU HD1 H 0.93 . 2 783 87 LEU HD2 H 1.01 . 2 784 87 LEU CA C 59.1 . 1 785 87 LEU CB C 42.3 . 1 786 87 LEU CG C 26.8 . 1 787 87 LEU CD1 C 23.1 . 2 788 87 LEU CD2 C 25.7 . 2 789 87 LEU N N 120.2 . 1 790 88 GLN H H 9.35 . 1 791 88 GLN HA H 4.18 . 1 792 88 GLN HB2 H 2.41 . 2 793 88 GLN HB3 H 2.23 . 2 794 88 GLN HG2 H 2.37 . 1 795 88 GLN HG3 H 2.37 . 1 796 88 GLN HE21 H 7.55 . 2 797 88 GLN HE22 H 6.83 . 2 798 88 GLN CA C 57.3 . 1 799 88 GLN CB C 25.4 . 1 800 88 GLN CG C 34.1 . 1 801 88 GLN N N 114.9 . 1 802 88 GLN NE2 N 111.3 . 1 803 89 SER H H 8.68 . 1 804 89 SER HA H 4.08 . 1 805 89 SER HB2 H 4.00 . 1 806 89 SER HB3 H 4.00 . 1 807 89 SER CA C 61.9 . 1 808 89 SER CB C 62.2 . 1 809 89 SER N N 117.5 . 1 810 90 TYR H H 7.33 . 1 811 90 TYR HA H 4.32 . 1 812 90 TYR HB2 H 2.76 . 2 813 90 TYR HB3 H 2.59 . 2 814 90 TYR HD1 H 6.39 . 1 815 90 TYR HD2 H 6.39 . 1 816 90 TYR HE1 H 6.13 . 1 817 90 TYR HE2 H 6.13 . 1 818 90 TYR CA C 59.7 . 1 819 90 TYR CB C 41.4 . 1 820 90 TYR CD1 C 132.4 . 1 821 90 TYR CE1 C 116.4 . 1 822 90 TYR N N 116.0 . 1 823 91 VAL H H 7.73 . 1 824 91 VAL HA H 4.01 . 1 825 91 VAL HB H 1.93 . 1 826 91 VAL HG1 H 0.91 . 2 827 91 VAL HG2 H 0.85 . 2 828 91 VAL CA C 62.6 . 1 829 91 VAL CB C 32.7 . 1 830 91 VAL CG1 C 21.7 . 2 831 91 VAL CG2 C 20.2 . 2 832 91 VAL N N 110.5 . 1 833 92 HIS H H 8.60 . 1 834 92 HIS HA H 4.28 . 1 835 92 HIS HB2 H 2.91 . 2 836 92 HIS HB3 H 3.26 . 2 837 92 HIS HD2 H 6.96 . 1 838 92 HIS CA C 56.0 . 1 839 92 HIS CB C 29.2 . 1 840 92 HIS CD2 C 117.7 . 1 841 92 HIS N N 114.5 . 1 842 93 HIS H H 8.35 . 1 843 93 HIS HA H 4.78 . 1 844 93 HIS HB2 H 3.28 . 1 845 93 HIS HB3 H 3.28 . 1 846 93 HIS HD2 H 6.89 . 1 847 93 HIS CA C 57.6 . 1 848 93 HIS CB C 31.9 . 1 849 93 HIS CD2 C 118.6 . 1 850 93 HIS N N 118.2 . 1 851 94 ILE H H 7.47 . 1 852 94 ILE HA H 4.37 . 1 853 94 ILE HB H 1.96 . 1 854 94 ILE HG12 H 1.53 . 2 855 94 ILE HG13 H 1.28 . 2 856 94 ILE HG2 H 1.04 . 1 857 94 ILE HD1 H 0.88 . 1 858 94 ILE CA C 60.9 . 1 859 94 ILE CB C 39.6 . 1 860 94 ILE CG1 C 27.2 . 1 861 94 ILE CG2 C 17.7 . 1 862 94 ILE CD1 C 14.1 . 1 863 94 ILE N N 111.4 . 1 864 95 HIS H H 6.99 . 1 865 96 LYS HA H 4.04 . 1 866 96 LYS HG2 H 1.49 . 1 867 96 LYS HG3 H 1.49 . 1 868 96 LYS HD2 H 1.96 . 1 869 96 LYS HD3 H 1.96 . 1 870 96 LYS HE2 H 2.93 . 1 871 96 LYS HE3 H 2.93 . 1 872 97 LYS HA H 4.13 . 1 873 97 LYS HB2 H 1.96 . 1 874 97 LYS HB3 H 1.96 . 1 875 97 LYS HG2 H 1.49 . 1 876 97 LYS HG3 H 1.49 . 1 877 97 LYS HD2 H 1.63 . 1 878 97 LYS HD3 H 1.63 . 1 879 97 LYS HE2 H 2.98 . 1 880 97 LYS HE3 H 2.98 . 1 881 97 LYS CA C 59.4 . 1 882 97 LYS CB C 32.0 . 1 883 97 LYS CG C 25.2 . 1 884 97 LYS CD C 28.8 . 1 885 97 LYS CE C 42.1 . 1 886 98 ARG H H 7.15 . 1 887 98 ARG HA H 4.15 . 1 888 98 ARG HB2 H 1.74 . 1 889 98 ARG HB3 H 1.74 . 1 890 98 ARG HG2 H 1.61 . 1 891 98 ARG HG3 H 1.61 . 1 892 98 ARG HD2 H 3.17 . 1 893 98 ARG HD3 H 3.17 . 1 894 98 ARG CA C 57.9 . 1 895 98 ARG CB C 28.6 . 1 896 98 ARG CG C 27.0 . 1 897 98 ARG CD C 43.1 . 1 898 98 ARG N N 118.5 . 1 899 99 PHE H H 8.26 . 1 900 99 PHE HA H 3.45 . 1 901 99 PHE HB2 H 2.20 . 2 902 99 PHE HB3 H 2.53 . 2 903 99 PHE HD1 H 6.45 . 1 904 99 PHE HD2 H 6.45 . 1 905 99 PHE HE1 H 7.08 . 1 906 99 PHE HE2 H 7.08 . 1 907 99 PHE HZ H 6.67 . 1 908 99 PHE CA C 62.7 . 1 909 99 PHE CB C 39.2 . 1 910 99 PHE CD1 C 130.2 . 1 911 99 PHE CE1 C 130.0 . 1 912 99 PHE CZ C 128.2 . 1 913 99 PHE N N 119.1 . 1 914 100 LYS H H 8.50 . 1 915 100 LYS HA H 3.98 . 1 916 100 LYS HB2 H 1.97 . 2 917 100 LYS HB3 H 2.02 . 2 918 100 LYS HG2 H 1.46 . 2 919 100 LYS HG3 H 1.52 . 2 920 100 LYS HD2 H 1.71 . 2 921 100 LYS HD3 H 1.74 . 2 922 100 LYS HE2 H 3.00 . 1 923 100 LYS HE3 H 3.00 . 1 924 100 LYS CA C 59.3 . 1 925 100 LYS CB C 31.9 . 1 926 100 LYS CG C 24.8 . 1 927 100 LYS CD C 29.0 . 1 928 100 LYS CE C 42.0 . 1 929 100 LYS N N 121.7 . 1 930 101 ASP H H 8.15 . 1 931 101 ASP HA H 4.29 . 1 932 101 ASP HB2 H 2.61 . 2 933 101 ASP HB3 H 2.87 . 2 934 101 ASP CA C 57.3 . 1 935 101 ASP CB C 39.9 . 1 936 101 ASP N N 119.8 . 1 937 102 ILE H H 8.22 . 1 938 102 ILE HA H 3.69 . 1 939 102 ILE HB H 1.55 . 1 940 102 ILE HG12 H 1.06 . 2 941 102 ILE HG13 H 1.37 . 2 942 102 ILE HG2 H 0.66 . 1 943 102 ILE HD1 H 0.57 . 1 944 102 ILE CA C 65.0 . 1 945 102 ILE CB C 37.7 . 1 946 102 ILE CG1 C 27.4 . 1 947 102 ILE CG2 C 17.6 . 1 948 102 ILE CD1 C 13.3 . 1 949 102 ILE N N 118.8 . 1 950 103 THR H H 7.93 . 1 951 103 THR HA H 3.48 . 1 952 103 THR HB H 4.09 . 1 953 103 THR HG1 H 3.26 . 1 954 103 THR HG2 H 1.00 . 1 955 103 THR CA C 67.3 . 1 956 103 THR CB C 67.7 . 1 957 103 THR CG2 C 21.1 . 1 958 103 THR N N 117.9 . 1 959 104 GLU H H 8.47 . 1 960 104 GLU HA H 3.92 . 1 961 104 GLU HB2 H 1.98 . 2 962 104 GLU HB3 H 2.08 . 2 963 104 GLU HG2 H 2.20 . 2 964 104 GLU HG3 H 2.46 . 2 965 104 GLU CA C 59.5 . 1 966 104 GLU CB C 29.2 . 1 967 104 GLU CG C 36.7 . 1 968 104 GLU N N 118.9 . 1 969 105 SER H H 7.84 . 1 970 105 SER HA H 4.29 . 1 971 105 SER HB2 H 3.96 . 1 972 105 SER HB3 H 3.96 . 1 973 105 SER CA C 60.9 . 1 974 105 SER CB C 62.7 . 1 975 105 SER N N 114.2 . 1 976 106 VAL H H 8.29 . 1 977 106 VAL HA H 3.69 . 1 978 106 VAL HB H 2.15 . 1 979 106 VAL HG1 H 0.85 . 2 980 106 VAL HG2 H 1.06 . 2 981 106 VAL CA C 66.3 . 1 982 106 VAL CB C 31.9 . 1 983 106 VAL CG1 C 22.0 . 2 984 106 VAL CG2 C 24.5 . 2 985 106 VAL N N 122.1 . 1 986 107 LEU H H 8.56 . 1 987 107 LEU HA H 3.90 . 1 988 107 LEU HB2 H 1.98 . 2 989 107 LEU HB3 H 1.44 . 2 990 107 LEU HG H 1.72 . 1 991 107 LEU HD1 H 0.87 . 2 992 107 LEU HD2 H 0.98 . 2 993 107 LEU CA C 58.3 . 1 994 107 LEU CB C 41.2 . 1 995 107 LEU CG C 27.4 . 1 996 107 LEU CD1 C 24.3 . 2 997 107 LEU CD2 C 25.7 . 2 998 107 LEU N N 117.5 . 1 999 108 TYR H H 8.45 . 1 1000 108 TYR HA H 4.17 . 1 1001 108 TYR HB2 H 3.28 . 2 1002 108 TYR HB3 H 3.17 . 2 1003 108 TYR HD1 H 7.13 . 1 1004 108 TYR HD2 H 7.13 . 1 1005 108 TYR HE1 H 6.81 . 1 1006 108 TYR HE2 H 6.81 . 1 1007 108 TYR CA C 61.8 . 1 1008 108 TYR CB C 37.9 . 1 1009 108 TYR CD1 C 132.7 . 1 1010 108 TYR CE1 C 117.4 . 1 1011 108 TYR N N 119.0 . 1 1012 109 THR H H 7.80 . 1 1013 109 THR HA H 3.86 . 1 1014 109 THR HB H 4.18 . 1 1015 109 THR HG2 H 1.23 . 1 1016 109 THR CA C 66.8 . 1 1017 109 THR CB C 67.8 . 1 1018 109 THR CG2 C 23.0 . 1 1019 109 THR N N 116.5 . 1 1020 110 LEU H H 8.51 . 1 1021 110 LEU HA H 3.90 . 1 1022 110 LEU HB2 H 0.98 . 2 1023 110 LEU HB3 H 1.61 . 2 1024 110 LEU HG H 1.63 . 1 1025 110 LEU HD1 H 0.37 . 2 1026 110 LEU HD2 H 0.02 . 2 1027 110 LEU CA C 58.5 . 1 1028 110 LEU CB C 41.3 . 1 1029 110 LEU CG C 26.5 . 1 1030 110 LEU CD1 C 22.4 . 2 1031 110 LEU CD2 C 26.6 . 2 1032 110 LEU N N 121.0 . 1 1033 111 HIS H H 8.44 . 1 1034 111 HIS HA H 4.00 . 1 1035 111 HIS HB2 H 2.98 . 2 1036 111 HIS HB3 H 3.00 . 2 1037 111 HIS HD2 H 6.95 . 1 1038 111 HIS CA C 60.9 . 1 1039 111 HIS CB C 29.7 . 1 1040 111 HIS CD2 C 119.7 . 1 1041 111 HIS N N 116.3 . 1 1042 112 ALA H H 7.92 . 1 1043 112 ALA HA H 4.13 . 1 1044 112 ALA HB H 1.40 . 1 1045 112 ALA CA C 55.0 . 1 1046 112 ALA CB C 17.6 . 1 1047 112 ALA N N 122.9 . 1 1048 113 VAL H H 8.30 . 1 1049 113 VAL HA H 3.54 . 1 1050 113 VAL HB H 2.52 . 1 1051 113 VAL HG1 H 0.98 . 2 1052 113 VAL HG2 H 1.20 . 2 1053 113 VAL CA C 67.2 . 1 1054 113 VAL CB C 31.0 . 1 1055 113 VAL CG1 C 20.7 . 2 1056 113 VAL CG2 C 24.7 . 2 1057 113 VAL N N 119.0 . 1 1058 114 LYS H H 8.22 . 1 1059 114 LYS HA H 3.81 . 1 1060 114 LYS HB2 H 1.80 . 2 1061 114 LYS HB3 H 2.05 . 2 1062 114 LYS HG2 H 1.33 . 2 1063 114 LYS HG3 H 1.50 . 2 1064 114 LYS HD2 H 1.49 . 1 1065 114 LYS HD3 H 1.49 . 1 1066 114 LYS HE2 H 2.88 . 1 1067 114 LYS HE3 H 2.88 . 1 1068 114 LYS CA C 60.8 . 1 1069 114 LYS CB C 31.5 . 1 1070 114 LYS CG C 25.2 . 1 1071 114 LYS CD C 29.5 . 1 1072 114 LYS CE C 41.3 . 1 1073 114 LYS N N 120.6 . 1 1074 115 ASP H H 8.18 . 1 1075 115 ASP HA H 4.30 . 1 1076 115 ASP HB2 H 2.14 . 2 1077 115 ASP HB3 H 2.63 . 2 1078 115 ASP CA C 56.8 . 1 1079 115 ASP CB C 39.6 . 1 1080 115 ASP N N 118.8 . 1 1081 116 GLU H H 7.99 . 1 1082 116 GLU HA H 4.06 . 1 1083 116 GLU HB2 H 2.12 . 2 1084 116 GLU HB3 H 2.17 . 2 1085 116 GLU HG2 H 2.25 . 2 1086 116 GLU HG3 H 2.35 . 2 1087 116 GLU CA C 58.4 . 1 1088 116 GLU CB C 29.0 . 1 1089 116 GLU CG C 35.8 . 1 1090 116 GLU N N 120.8 . 1 1091 117 ILE H H 8.37 . 1 1092 117 ILE HA H 3.61 . 1 1093 117 ILE HB H 1.94 . 1 1094 117 ILE HG12 H 0.96 . 2 1095 117 ILE HG13 H 1.93 . 2 1096 117 ILE HG2 H 0.95 . 1 1097 117 ILE HD1 H 0.74 . 1 1098 117 ILE CA C 64.8 . 1 1099 117 ILE CB C 38.6 . 1 1100 117 ILE CG1 C 29.3 . 1 1101 117 ILE CG2 C 17.6 . 1 1102 117 ILE CD1 C 14.4 . 1 1103 117 ILE N N 119.7 . 1 1104 118 ALA H H 7.72 . 1 1105 118 ALA HA H 4.25 . 1 1106 118 ALA HB H 1.50 . 1 1107 118 ALA CA C 52.9 . 1 1108 118 ALA CB C 18.7 . 1 1109 118 ALA N N 119.9 . 1 1110 119 ARG H H 7.45 . 1 1111 119 ARG HA H 4.11 . 1 1112 119 ARG HB2 H 2.03 . 2 1113 119 ARG HB3 H 1.88 . 2 1114 119 ARG HG2 H 1.73 . 2 1115 119 ARG HG3 H 1.82 . 2 1116 119 ARG HD2 H 3.26 . 1 1117 119 ARG HD3 H 3.26 . 1 1118 119 ARG CA C 57.6 . 1 1119 119 ARG CB C 31.0 . 1 1120 119 ARG CG C 27.3 . 1 1121 119 ARG CD C 43.7 . 1 1122 119 ARG N N 118.4 . 1 1123 120 GLU H H 8.89 . 1 1124 120 GLU HA H 4.28 . 1 1125 120 GLU HB2 H 1.97 . 2 1126 120 GLU HB3 H 2.11 . 2 1127 120 GLU HG2 H 2.28 . 2 1128 120 GLU HG3 H 2.31 . 2 1129 120 GLU CA C 57.6 . 1 1130 120 GLU CB C 30.1 . 1 1131 120 GLU CG C 36.0 . 1 1132 120 GLU N N 114.9 . 1 1133 123 ARG HA H 4.28 . 1 1134 123 ARG HB2 H 1.76 . 2 1135 123 ARG HB3 H 1.85 . 2 1136 123 ARG HG2 H 1.58 . 1 1137 123 ARG HG3 H 1.58 . 1 1138 123 ARG HD2 H 3.16 . 1 1139 123 ARG HD3 H 3.16 . 1 1140 123 ARG CA C 56.0 . 1 1141 123 ARG CB C 30.1 . 1 1142 123 ARG CG C 27.0 . 1 1143 123 ARG CD C 43.1 . 1 cwd: /data/PSVS/PSVS-v1.4-dev/results/SR213_R3_em_bcr3 command to execute is: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign -c /data/PSVS/PSVS-v1.4-dev/results/SR213_R3_em_bcr3/rpf_calc/input/ctrl_file -o rpf_calc -q SR213_R3_em_bcr3.pdb.iupac 2>&1| ASDP Version 1.0 Copyright(C) 2010 Center for Advanced Biotechnology and Medicine (CABM) Rutgers University Reading Control_File ...  Doing SimpleMatch for n.peaks ...   Doing SimpleMatch for c_aro.peaks ...   Doing SimpleMatch for c_ali.peaks ...   Reading ComparePdbFile: SR213_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: SR213_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: SR213_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: SR213_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: SR213_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: SR213_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: SR213_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: SR213_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: SR213_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: SR213_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: SR213_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: SR213_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: SR213_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: SR213_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: SR213_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: SR213_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: SR213_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: SR213_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: SR213_R3_em_bcr3.pdb.iupac  Reading ComparePdbFile: SR213_R3_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 ...